Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:26:46 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: ./SiO2.save/ 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 32 18 5 1482 646 103 Max 33 19 6 1491 665 110 Sum 1159 673 199 53439 23633 3851 bravais-lattice index = 14 lattice parameter (alat) = 7.2377 a.u. unit-cell volume = 542.6607 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.237651 celldm(2)= 1.000000 celldm(3)= 1.652742 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 1.652742 ) 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 0.605055 ) 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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) Si 4.00 28.08550 Si( 1.00) 6 Sym. Ops. (no inversion) found ( 4 have fractional translation) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.5509138 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5509138 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5509138 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5509138 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 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 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0104167 0.0060141 -0.0000000), wk = 0.0028902 k( 3) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0028902 k( 4) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0028902 k( 5) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0028902 k( 6) = ( 0.0520833 0.0300703 -0.0000000), wk = 0.0028902 k( 7) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0028902 k( 8) = ( 0.0729167 0.0420985 -0.0000000), wk = 0.0028902 k( 9) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0028902 k( 10) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0028902 k( 11) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0028902 k( 12) = ( 0.1145833 0.0661547 -0.0000000), wk = 0.0028902 k( 13) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0028902 k( 14) = ( 0.1354167 0.0781829 -0.0000000), wk = 0.0028902 k( 15) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0028902 k( 16) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0028902 k( 17) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0028902 k( 18) = ( 0.1770833 0.1022391 -0.0000000), wk = 0.0028902 k( 19) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0028902 k( 20) = ( 0.1979167 0.1142672 -0.0000000), wk = 0.0028902 k( 21) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0028902 k( 22) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0028902 k( 23) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0028902 k( 24) = ( 0.2395833 0.1383235 -0.0000000), wk = 0.0028902 k( 25) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0028902 k( 26) = ( 0.2604167 0.1503516 -0.0000000), wk = 0.0028902 k( 27) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0028902 k( 28) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0028902 k( 29) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0028902 k( 30) = ( 0.3020833 0.1744079 -0.0000000), wk = 0.0028902 k( 31) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0028902 k( 32) = ( 0.3229167 0.1864360 -0.0000000), wk = 0.0028902 k( 33) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0028902 k( 34) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0028902 k( 35) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0028902 k( 36) = ( 0.3645833 0.2104923 -0.0000000), wk = 0.0028902 k( 37) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0028902 k( 38) = ( 0.3854167 0.2225204 -0.0000000), wk = 0.0028902 k( 39) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0028902 k( 40) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0028902 k( 41) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0028902 k( 42) = ( 0.4270833 0.2465767 -0.0000000), wk = 0.0028902 k( 43) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0028902 k( 44) = ( 0.4479167 0.2586048 -0.0000000), wk = 0.0028902 k( 45) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0028902 k( 46) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0028902 k( 47) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0028902 k( 48) = ( 0.4895833 0.2826611 -0.0000000), wk = 0.0028902 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028902 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028902 k( 51) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0028902 k( 52) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0028902 k( 53) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0028902 k( 54) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0028902 k( 55) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0028902 k( 56) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0028902 k( 57) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0028902 k( 58) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0028902 k( 59) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0028902 k( 60) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0028902 k( 61) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0028902 k( 62) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0028902 k( 63) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0028902 k( 64) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028902 k( 65) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0028902 k( 66) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0028902 k( 67) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0028902 k( 68) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0028902 k( 69) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0028902 k( 70) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0028902 k( 71) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0028902 k( 72) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0028902 k( 73) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0028902 k( 74) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0028902 k( 75) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0028902 k( 76) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0028902 k( 77) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0028902 k( 78) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028902 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028902 k( 80) = ( 0.3272727 0.5668530 -0.0000000), wk = 0.0028902 k( 81) = ( 0.3212121 0.5563557 -0.0000000), wk = 0.0028902 k( 82) = ( 0.3151515 0.5458584 -0.0000000), wk = 0.0028902 k( 83) = ( 0.3090909 0.5353612 -0.0000000), wk = 0.0028902 k( 84) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0028902 k( 85) = ( 0.2969697 0.5143666 -0.0000000), wk = 0.0028902 k( 86) = ( 0.2909091 0.5038693 -0.0000000), wk = 0.0028902 k( 87) = ( 0.2848485 0.4933720 -0.0000000), wk = 0.0028902 k( 88) = ( 0.2787879 0.4828748 -0.0000000), wk = 0.0028902 k( 89) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0028902 k( 90) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0028902 k( 91) = ( 0.2606061 0.4513829 -0.0000000), wk = 0.0028902 k( 92) = ( 0.2545455 0.4408857 -0.0000000), wk = 0.0028902 k( 93) = ( 0.2484849 0.4303884 -0.0000000), wk = 0.0028902 k( 94) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0028902 k( 95) = ( 0.2363636 0.4093938 -0.0000000), wk = 0.0028902 k( 96) = ( 0.2303030 0.3988965 -0.0000000), wk = 0.0028902 k( 97) = ( 0.2242424 0.3883993 -0.0000000), wk = 0.0028902 k( 98) = ( 0.2181818 0.3779020 -0.0000000), wk = 0.0028902 k( 99) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0028902 k( 100) = ( 0.2060606 0.3569074 -0.0000000), wk = 0.0028902 k( 101) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0028902 k( 102) = ( 0.1939394 0.3359129 -0.0000000), wk = 0.0028902 k( 103) = ( 0.1878788 0.3254156 -0.0000000), wk = 0.0028902 k( 104) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0028902 k( 105) = ( 0.1757576 0.3044211 -0.0000000), wk = 0.0028902 k( 106) = ( 0.1696970 0.2939238 -0.0000000), wk = 0.0028902 k( 107) = ( 0.1636364 0.2834265 -0.0000000), wk = 0.0028902 k( 108) = ( 0.1575758 0.2729292 -0.0000000), wk = 0.0028902 k( 109) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0028902 k( 110) = ( 0.1454545 0.2519347 -0.0000000), wk = 0.0028902 k( 111) = ( 0.1393939 0.2414374 -0.0000000), wk = 0.0028902 k( 112) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0028902 k( 113) = ( 0.1272727 0.2204428 -0.0000000), wk = 0.0028902 k( 114) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0028902 k( 115) = ( 0.1151515 0.1994483 -0.0000000), wk = 0.0028902 k( 116) = ( 0.1090909 0.1889510 -0.0000000), wk = 0.0028902 k( 117) = ( 0.1030303 0.1784537 -0.0000000), wk = 0.0028902 k( 118) = ( 0.0969697 0.1679564 -0.0000000), wk = 0.0028902 k( 119) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0028902 k( 120) = ( 0.0848485 0.1469619 -0.0000000), wk = 0.0028902 k( 121) = ( 0.0787879 0.1364646 -0.0000000), wk = 0.0028902 k( 122) = ( 0.0727273 0.1259673 -0.0000000), wk = 0.0028902 k( 123) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0028902 k( 124) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0028902 k( 125) = ( 0.0545455 0.0944755 -0.0000000), wk = 0.0028902 k( 126) = ( 0.0484849 0.0839782 -0.0000000), wk = 0.0028902 k( 127) = ( 0.0424242 0.0734809 -0.0000000), wk = 0.0028902 k( 128) = ( 0.0363636 0.0629837 -0.0000000), wk = 0.0028902 k( 129) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0028902 k( 130) = ( 0.0242424 0.0419891 -0.0000000), wk = 0.0028902 k( 131) = ( 0.0181818 0.0314918 -0.0000000), wk = 0.0028902 k( 132) = ( 0.0121212 0.0209946 -0.0000000), wk = 0.0028902 k( 133) = ( 0.0060606 0.0104973 -0.0000000), wk = 0.0028902 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 136) = ( 0.0000000 0.0000000 0.0121011), wk = 0.0028902 k( 137) = ( 0.0000000 0.0000000 0.0242022), wk = 0.0028902 k( 138) = ( 0.0000000 0.0000000 0.0363033), wk = 0.0028902 k( 139) = ( 0.0000000 0.0000000 0.0484044), wk = 0.0028902 k( 140) = ( 0.0000000 0.0000000 0.0605055), wk = 0.0028902 k( 141) = ( 0.0000000 0.0000000 0.0726066), wk = 0.0028902 k( 142) = ( 0.0000000 0.0000000 0.0847077), wk = 0.0028902 k( 143) = ( 0.0000000 0.0000000 0.0968088), wk = 0.0028902 k( 144) = ( 0.0000000 0.0000000 0.1089100), wk = 0.0028902 k( 145) = ( 0.0000000 0.0000000 0.1210111), wk = 0.0028902 k( 146) = ( 0.0000000 0.0000000 0.1331122), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.1452133), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.1573144), wk = 0.0028902 k( 149) = ( 0.0000000 0.0000000 0.1694155), wk = 0.0028902 k( 150) = ( 0.0000000 0.0000000 0.1815166), wk = 0.0028902 k( 151) = ( 0.0000000 0.0000000 0.1936177), wk = 0.0028902 k( 152) = ( 0.0000000 0.0000000 0.2057188), wk = 0.0028902 k( 153) = ( 0.0000000 0.0000000 0.2178199), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.2299210), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.2420221), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.2541232), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.2662243), wk = 0.0028902 k( 158) = ( 0.0000000 0.0000000 0.2783254), wk = 0.0028902 k( 159) = ( 0.0000000 0.0000000 0.2904265), wk = 0.0028902 k( 160) = ( 0.0000000 0.0000000 0.3025276), wk = 0.0028902 k( 161) = ( 0.0000000 0.0000000 0.3025276), wk = 0.0028902 k( 162) = ( 0.0104167 0.0060141 0.3025276), wk = 0.0028902 k( 163) = ( 0.0208333 0.0120281 0.3025276), wk = 0.0028902 k( 164) = ( 0.0312500 0.0180422 0.3025276), wk = 0.0028902 k( 165) = ( 0.0416667 0.0240563 0.3025276), wk = 0.0028902 k( 166) = ( 0.0520833 0.0300703 0.3025276), wk = 0.0028902 k( 167) = ( 0.0625000 0.0360844 0.3025276), wk = 0.0028902 k( 168) = ( 0.0729167 0.0420985 0.3025276), wk = 0.0028902 k( 169) = ( 0.0833333 0.0481125 0.3025276), wk = 0.0028902 k( 170) = ( 0.0937500 0.0541266 0.3025276), wk = 0.0028902 k( 171) = ( 0.1041667 0.0601407 0.3025276), wk = 0.0028902 k( 172) = ( 0.1145833 0.0661547 0.3025276), wk = 0.0028902 k( 173) = ( 0.1250000 0.0721688 0.3025276), wk = 0.0028902 k( 174) = ( 0.1354167 0.0781829 0.3025276), wk = 0.0028902 k( 175) = ( 0.1458333 0.0841969 0.3025276), wk = 0.0028902 k( 176) = ( 0.1562500 0.0902110 0.3025276), wk = 0.0028902 k( 177) = ( 0.1666667 0.0962250 0.3025276), wk = 0.0028902 k( 178) = ( 0.1770833 0.1022391 0.3025276), wk = 0.0028902 k( 179) = ( 0.1875000 0.1082532 0.3025276), wk = 0.0028902 k( 180) = ( 0.1979167 0.1142672 0.3025276), wk = 0.0028902 k( 181) = ( 0.2083333 0.1202813 0.3025276), wk = 0.0028902 k( 182) = ( 0.2187500 0.1262954 0.3025276), wk = 0.0028902 k( 183) = ( 0.2291667 0.1323094 0.3025276), wk = 0.0028902 k( 184) = ( 0.2395833 0.1383235 0.3025276), wk = 0.0028902 k( 185) = ( 0.2500000 0.1443376 0.3025276), wk = 0.0028902 k( 186) = ( 0.2604167 0.1503516 0.3025276), wk = 0.0028902 k( 187) = ( 0.2708333 0.1563657 0.3025276), wk = 0.0028902 k( 188) = ( 0.2812500 0.1623798 0.3025276), wk = 0.0028902 k( 189) = ( 0.2916667 0.1683938 0.3025276), wk = 0.0028902 k( 190) = ( 0.3020833 0.1744079 0.3025276), wk = 0.0028902 k( 191) = ( 0.3125000 0.1804220 0.3025276), wk = 0.0028902 k( 192) = ( 0.3229167 0.1864360 0.3025276), wk = 0.0028902 k( 193) = ( 0.3333333 0.1924501 0.3025276), wk = 0.0028902 k( 194) = ( 0.3437500 0.1984642 0.3025276), wk = 0.0028902 k( 195) = ( 0.3541667 0.2044782 0.3025276), wk = 0.0028902 k( 196) = ( 0.3645833 0.2104923 0.3025276), wk = 0.0028902 k( 197) = ( 0.3750000 0.2165064 0.3025276), wk = 0.0028902 k( 198) = ( 0.3854167 0.2225204 0.3025276), wk = 0.0028902 k( 199) = ( 0.3958333 0.2285345 0.3025276), wk = 0.0028902 k( 200) = ( 0.4062500 0.2345485 0.3025276), wk = 0.0028902 k( 201) = ( 0.4166667 0.2405626 0.3025276), wk = 0.0028902 k( 202) = ( 0.4270833 0.2465767 0.3025276), wk = 0.0028902 k( 203) = ( 0.4375000 0.2525907 0.3025276), wk = 0.0028902 k( 204) = ( 0.4479167 0.2586048 0.3025276), wk = 0.0028902 k( 205) = ( 0.4583333 0.2646189 0.3025276), wk = 0.0028902 k( 206) = ( 0.4687500 0.2706329 0.3025276), wk = 0.0028902 k( 207) = ( 0.4791667 0.2766470 0.3025276), wk = 0.0028902 k( 208) = ( 0.4895833 0.2826611 0.3025276), wk = 0.0028902 k( 209) = ( 0.5000000 0.2886751 0.3025276), wk = 0.0028902 k( 210) = ( 0.5000000 0.2886751 0.3025276), wk = 0.0028902 k( 211) = ( 0.4940476 0.2989850 0.3025276), wk = 0.0028902 k( 212) = ( 0.4880952 0.3092948 0.3025276), wk = 0.0028902 k( 213) = ( 0.4821429 0.3196046 0.3025276), wk = 0.0028902 k( 214) = ( 0.4761905 0.3299144 0.3025276), wk = 0.0028902 k( 215) = ( 0.4702381 0.3402243 0.3025276), wk = 0.0028902 k( 216) = ( 0.4642857 0.3505341 0.3025276), wk = 0.0028902 k( 217) = ( 0.4583333 0.3608439 0.3025276), wk = 0.0028902 k( 218) = ( 0.4523810 0.3711537 0.3025276), wk = 0.0028902 k( 219) = ( 0.4464286 0.3814636 0.3025276), wk = 0.0028902 k( 220) = ( 0.4404762 0.3917734 0.3025276), wk = 0.0028902 k( 221) = ( 0.4345238 0.4020832 0.3025276), wk = 0.0028902 k( 222) = ( 0.4285714 0.4123930 0.3025276), wk = 0.0028902 k( 223) = ( 0.4226190 0.4227029 0.3025276), wk = 0.0028902 k( 224) = ( 0.4166667 0.4330127 0.3025276), wk = 0.0028902 k( 225) = ( 0.4107143 0.4433225 0.3025276), wk = 0.0028902 k( 226) = ( 0.4047619 0.4536324 0.3025276), wk = 0.0028902 k( 227) = ( 0.3988095 0.4639422 0.3025276), wk = 0.0028902 k( 228) = ( 0.3928571 0.4742520 0.3025276), wk = 0.0028902 k( 229) = ( 0.3869048 0.4845618 0.3025276), wk = 0.0028902 k( 230) = ( 0.3809524 0.4948717 0.3025276), wk = 0.0028902 k( 231) = ( 0.3750000 0.5051815 0.3025276), wk = 0.0028902 k( 232) = ( 0.3690476 0.5154913 0.3025276), wk = 0.0028902 k( 233) = ( 0.3630952 0.5258011 0.3025276), wk = 0.0028902 k( 234) = ( 0.3571429 0.5361110 0.3025276), wk = 0.0028902 k( 235) = ( 0.3511905 0.5464208 0.3025276), wk = 0.0028902 k( 236) = ( 0.3452381 0.5567306 0.3025276), wk = 0.0028902 k( 237) = ( 0.3392857 0.5670404 0.3025276), wk = 0.0028902 k( 238) = ( 0.3333333 0.5773503 0.3025276), wk = 0.0028902 k( 239) = ( 0.3333333 0.5773503 0.3025276), wk = 0.0028902 k( 240) = ( 0.3272727 0.5668530 0.3025276), wk = 0.0028902 k( 241) = ( 0.3212121 0.5563557 0.3025276), wk = 0.0028902 k( 242) = ( 0.3151515 0.5458584 0.3025276), wk = 0.0028902 k( 243) = ( 0.3090909 0.5353612 0.3025276), wk = 0.0028902 k( 244) = ( 0.3030303 0.5248639 0.3025276), wk = 0.0028902 k( 245) = ( 0.2969697 0.5143666 0.3025276), wk = 0.0028902 k( 246) = ( 0.2909091 0.5038693 0.3025276), wk = 0.0028902 k( 247) = ( 0.2848485 0.4933720 0.3025276), wk = 0.0028902 k( 248) = ( 0.2787879 0.4828748 0.3025276), wk = 0.0028902 k( 249) = ( 0.2727273 0.4723775 0.3025276), wk = 0.0028902 k( 250) = ( 0.2666667 0.4618802 0.3025276), wk = 0.0028902 k( 251) = ( 0.2606061 0.4513829 0.3025276), wk = 0.0028902 k( 252) = ( 0.2545455 0.4408857 0.3025276), wk = 0.0028902 k( 253) = ( 0.2484849 0.4303884 0.3025276), wk = 0.0028902 k( 254) = ( 0.2424242 0.4198911 0.3025276), wk = 0.0028902 k( 255) = ( 0.2363636 0.4093938 0.3025276), wk = 0.0028902 k( 256) = ( 0.2303030 0.3988965 0.3025276), wk = 0.0028902 k( 257) = ( 0.2242424 0.3883993 0.3025276), wk = 0.0028902 k( 258) = ( 0.2181818 0.3779020 0.3025276), wk = 0.0028902 k( 259) = ( 0.2121212 0.3674047 0.3025276), wk = 0.0028902 k( 260) = ( 0.2060606 0.3569074 0.3025276), wk = 0.0028902 k( 261) = ( 0.2000000 0.3464102 0.3025276), wk = 0.0028902 k( 262) = ( 0.1939394 0.3359129 0.3025276), wk = 0.0028902 k( 263) = ( 0.1878788 0.3254156 0.3025276), wk = 0.0028902 k( 264) = ( 0.1818182 0.3149183 0.3025276), wk = 0.0028902 k( 265) = ( 0.1757576 0.3044211 0.3025276), wk = 0.0028902 k( 266) = ( 0.1696970 0.2939238 0.3025276), wk = 0.0028902 k( 267) = ( 0.1636364 0.2834265 0.3025276), wk = 0.0028902 k( 268) = ( 0.1575758 0.2729292 0.3025276), wk = 0.0028902 k( 269) = ( 0.1515151 0.2624319 0.3025276), wk = 0.0028902 k( 270) = ( 0.1454545 0.2519347 0.3025276), wk = 0.0028902 k( 271) = ( 0.1393939 0.2414374 0.3025276), wk = 0.0028902 k( 272) = ( 0.1333333 0.2309401 0.3025276), wk = 0.0028902 k( 273) = ( 0.1272727 0.2204428 0.3025276), wk = 0.0028902 k( 274) = ( 0.1212121 0.2099456 0.3025276), wk = 0.0028902 k( 275) = ( 0.1151515 0.1994483 0.3025276), wk = 0.0028902 k( 276) = ( 0.1090909 0.1889510 0.3025276), wk = 0.0028902 k( 277) = ( 0.1030303 0.1784537 0.3025276), wk = 0.0028902 k( 278) = ( 0.0969697 0.1679564 0.3025276), wk = 0.0028902 k( 279) = ( 0.0909091 0.1574592 0.3025276), wk = 0.0028902 k( 280) = ( 0.0848485 0.1469619 0.3025276), wk = 0.0028902 k( 281) = ( 0.0787879 0.1364646 0.3025276), wk = 0.0028902 k( 282) = ( 0.0727273 0.1259673 0.3025276), wk = 0.0028902 k( 283) = ( 0.0666667 0.1154701 0.3025276), wk = 0.0028902 k( 284) = ( 0.0606061 0.1049728 0.3025276), wk = 0.0028902 k( 285) = ( 0.0545455 0.0944755 0.3025276), wk = 0.0028902 k( 286) = ( 0.0484849 0.0839782 0.3025276), wk = 0.0028902 k( 287) = ( 0.0424242 0.0734809 0.3025276), wk = 0.0028902 k( 288) = ( 0.0363636 0.0629837 0.3025276), wk = 0.0028902 k( 289) = ( 0.0303030 0.0524864 0.3025276), wk = 0.0028902 k( 290) = ( 0.0242424 0.0419891 0.3025276), wk = 0.0028902 k( 291) = ( 0.0181818 0.0314918 0.3025276), wk = 0.0028902 k( 292) = ( 0.0121212 0.0209946 0.3025276), wk = 0.0028902 k( 293) = ( 0.0060606 0.0104973 0.3025276), wk = 0.0028902 k( 294) = ( 0.0000000 0.0000000 0.3025276), wk = 0.0028902 k( 295) = ( 0.5000000 0.2886751 0.3025276), wk = 0.0028902 k( 296) = ( 0.5000000 0.2886751 0.2904265), wk = 0.0028902 k( 297) = ( 0.5000000 0.2886751 0.2783254), wk = 0.0028902 k( 298) = ( 0.5000000 0.2886751 0.2662243), wk = 0.0028902 k( 299) = ( 0.5000000 0.2886751 0.2541232), wk = 0.0028902 k( 300) = ( 0.5000000 0.2886751 0.2420221), wk = 0.0028902 k( 301) = ( 0.5000000 0.2886751 0.2299210), wk = 0.0028902 k( 302) = ( 0.5000000 0.2886751 0.2178199), wk = 0.0028902 k( 303) = ( 0.5000000 0.2886751 0.2057188), wk = 0.0028902 k( 304) = ( 0.5000000 0.2886751 0.1936177), wk = 0.0028902 k( 305) = ( 0.5000000 0.2886751 0.1815166), wk = 0.0028902 k( 306) = ( 0.5000000 0.2886751 0.1694155), wk = 0.0028902 k( 307) = ( 0.5000000 0.2886751 0.1573144), wk = 0.0028902 k( 308) = ( 0.5000000 0.2886751 0.1452133), wk = 0.0028902 k( 309) = ( 0.5000000 0.2886751 0.1331122), wk = 0.0028902 k( 310) = ( 0.5000000 0.2886751 0.1210111), wk = 0.0028902 k( 311) = ( 0.5000000 0.2886751 0.1089100), wk = 0.0028902 k( 312) = ( 0.5000000 0.2886751 0.0968088), wk = 0.0028902 k( 313) = ( 0.5000000 0.2886751 0.0847077), wk = 0.0028902 k( 314) = ( 0.5000000 0.2886751 0.0726066), wk = 0.0028902 k( 315) = ( 0.5000000 0.2886751 0.0605055), wk = 0.0028902 k( 316) = ( 0.5000000 0.2886751 0.0484044), wk = 0.0028902 k( 317) = ( 0.5000000 0.2886751 0.0363033), wk = 0.0028902 k( 318) = ( 0.5000000 0.2886751 0.0242022), wk = 0.0028902 k( 319) = ( 0.5000000 0.2886751 0.0121011), wk = 0.0028902 k( 320) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028902 k( 321) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028902 k( 322) = ( 0.3333333 0.5773503 0.0121011), wk = 0.0028902 k( 323) = ( 0.3333333 0.5773503 0.0242022), wk = 0.0028902 k( 324) = ( 0.3333333 0.5773503 0.0363033), wk = 0.0028902 k( 325) = ( 0.3333333 0.5773503 0.0484044), wk = 0.0028902 k( 326) = ( 0.3333333 0.5773503 0.0605055), wk = 0.0028902 k( 327) = ( 0.3333333 0.5773503 0.0726066), wk = 0.0028902 k( 328) = ( 0.3333333 0.5773503 0.0847077), wk = 0.0028902 k( 329) = ( 0.3333333 0.5773503 0.0968088), wk = 0.0028902 k( 330) = ( 0.3333333 0.5773503 0.1089100), wk = 0.0028902 k( 331) = ( 0.3333333 0.5773503 0.1210111), wk = 0.0028902 k( 332) = ( 0.3333333 0.5773503 0.1331122), wk = 0.0028902 k( 333) = ( 0.3333333 0.5773503 0.1452133), wk = 0.0028902 k( 334) = ( 0.3333333 0.5773503 0.1573144), wk = 0.0028902 k( 335) = ( 0.3333333 0.5773503 0.1694155), wk = 0.0028902 k( 336) = ( 0.3333333 0.5773503 0.1815166), wk = 0.0028902 k( 337) = ( 0.3333333 0.5773503 0.1936177), wk = 0.0028902 k( 338) = ( 0.3333333 0.5773503 0.2057188), wk = 0.0028902 k( 339) = ( 0.3333333 0.5773503 0.2178199), wk = 0.0028902 k( 340) = ( 0.3333333 0.5773503 0.2299210), wk = 0.0028902 k( 341) = ( 0.3333333 0.5773503 0.2420221), wk = 0.0028902 k( 342) = ( 0.3333333 0.5773503 0.2541232), wk = 0.0028902 k( 343) = ( 0.3333333 0.5773503 0.2662243), wk = 0.0028902 k( 344) = ( 0.3333333 0.5773503 0.2783254), wk = 0.0028902 k( 345) = ( 0.3333333 0.5773503 0.2904265), wk = 0.0028902 k( 346) = ( 0.3333333 0.5773503 0.3025276), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0104167 -0.0000000 0.0000000), wk = 0.0028902 k( 3) = ( 0.0208333 0.0000000 0.0000000), wk = 0.0028902 k( 4) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0028902 k( 5) = ( 0.0416667 -0.0000000 0.0000000), wk = 0.0028902 k( 6) = ( 0.0520833 0.0000000 0.0000000), wk = 0.0028902 k( 7) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0028902 k( 8) = ( 0.0729167 -0.0000000 0.0000000), wk = 0.0028902 k( 9) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0028902 k( 10) = ( 0.0937500 -0.0000000 0.0000000), wk = 0.0028902 k( 11) = ( 0.1041667 -0.0000000 0.0000000), wk = 0.0028902 k( 12) = ( 0.1145833 0.0000000 0.0000000), wk = 0.0028902 k( 13) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0028902 k( 14) = ( 0.1354167 0.0000000 0.0000000), wk = 0.0028902 k( 15) = ( 0.1458333 -0.0000000 0.0000000), wk = 0.0028902 k( 16) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0028902 k( 17) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0028902 k( 18) = ( 0.1770833 -0.0000000 0.0000000), wk = 0.0028902 k( 19) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0028902 k( 20) = ( 0.1979167 0.0000000 0.0000000), wk = 0.0028902 k( 21) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0028902 k( 22) = ( 0.2187500 -0.0000000 0.0000000), wk = 0.0028902 k( 23) = ( 0.2291667 -0.0000000 0.0000000), wk = 0.0028902 k( 24) = ( 0.2395833 0.0000000 0.0000000), wk = 0.0028902 k( 25) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0028902 k( 26) = ( 0.2604167 -0.0000000 0.0000000), wk = 0.0028902 k( 27) = ( 0.2708333 -0.0000000 0.0000000), wk = 0.0028902 k( 28) = ( 0.2812500 -0.0000000 0.0000000), wk = 0.0028902 k( 29) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0028902 k( 30) = ( 0.3020833 -0.0000000 0.0000000), wk = 0.0028902 k( 31) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0028902 k( 32) = ( 0.3229167 0.0000000 0.0000000), wk = 0.0028902 k( 33) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0028902 k( 34) = ( 0.3437500 -0.0000000 0.0000000), wk = 0.0028902 k( 35) = ( 0.3541667 -0.0000000 0.0000000), wk = 0.0028902 k( 36) = ( 0.3645833 -0.0000000 0.0000000), wk = 0.0028902 k( 37) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0028902 k( 38) = ( 0.3854167 0.0000000 0.0000000), wk = 0.0028902 k( 39) = ( 0.3958333 0.0000000 0.0000000), wk = 0.0028902 k( 40) = ( 0.4062500 0.0000000 0.0000000), wk = 0.0028902 k( 41) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0028902 k( 42) = ( 0.4270833 -0.0000000 0.0000000), wk = 0.0028902 k( 43) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0028902 k( 44) = ( 0.4479167 -0.0000000 0.0000000), wk = 0.0028902 k( 45) = ( 0.4583333 -0.0000000 0.0000000), wk = 0.0028902 k( 46) = ( 0.4687500 0.0000000 0.0000000), wk = 0.0028902 k( 47) = ( 0.4791667 0.0000000 0.0000000), wk = 0.0028902 k( 48) = ( 0.4895833 0.0000000 0.0000000), wk = 0.0028902 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028902 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028902 k( 51) = ( 0.4940476 0.0119048 0.0000000), wk = 0.0028902 k( 52) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0028902 k( 53) = ( 0.4821429 0.0357143 0.0000000), wk = 0.0028902 k( 54) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0028902 k( 55) = ( 0.4702381 0.0595238 0.0000000), wk = 0.0028902 k( 56) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0028902 k( 57) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0028902 k( 58) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0028902 k( 59) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0028902 k( 60) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0028902 k( 61) = ( 0.4345238 0.1309524 0.0000000), wk = 0.0028902 k( 62) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0028902 k( 63) = ( 0.4226190 0.1547619 0.0000000), wk = 0.0028902 k( 64) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0028902 k( 65) = ( 0.4107143 0.1785714 0.0000000), wk = 0.0028902 k( 66) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0028902 k( 67) = ( 0.3988095 0.2023810 0.0000000), wk = 0.0028902 k( 68) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0028902 k( 69) = ( 0.3869048 0.2261905 0.0000000), wk = 0.0028902 k( 70) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0028902 k( 71) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0028902 k( 72) = ( 0.3690476 0.2619048 -0.0000000), wk = 0.0028902 k( 73) = ( 0.3630952 0.2738095 0.0000000), wk = 0.0028902 k( 74) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0028902 k( 75) = ( 0.3511905 0.2976190 0.0000000), wk = 0.0028902 k( 76) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0028902 k( 77) = ( 0.3392857 0.3214286 0.0000000), wk = 0.0028902 k( 78) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028902 k( 79) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028902 k( 80) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0028902 k( 81) = ( 0.3212121 0.3212121 0.0000000), wk = 0.0028902 k( 82) = ( 0.3151515 0.3151515 -0.0000000), wk = 0.0028902 k( 83) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0028902 k( 84) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0028902 k( 85) = ( 0.2969697 0.2969697 -0.0000000), wk = 0.0028902 k( 86) = ( 0.2909091 0.2909091 0.0000000), wk = 0.0028902 k( 87) = ( 0.2848485 0.2848485 0.0000000), wk = 0.0028902 k( 88) = ( 0.2787879 0.2787879 0.0000000), wk = 0.0028902 k( 89) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0028902 k( 90) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0028902 k( 91) = ( 0.2606061 0.2606061 -0.0000000), wk = 0.0028902 k( 92) = ( 0.2545455 0.2545454 0.0000000), wk = 0.0028902 k( 93) = ( 0.2484849 0.2484849 0.0000000), wk = 0.0028902 k( 94) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0028902 k( 95) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0028902 k( 96) = ( 0.2303030 0.2303030 0.0000000), wk = 0.0028902 k( 97) = ( 0.2242424 0.2242424 0.0000000), wk = 0.0028902 k( 98) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0028902 k( 99) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0028902 k( 100) = ( 0.2060606 0.2060606 0.0000000), wk = 0.0028902 k( 101) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0028902 k( 102) = ( 0.1939394 0.1939394 0.0000000), wk = 0.0028902 k( 103) = ( 0.1878788 0.1878788 -0.0000000), wk = 0.0028902 k( 104) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0028902 k( 105) = ( 0.1757576 0.1757576 0.0000000), wk = 0.0028902 k( 106) = ( 0.1696970 0.1696970 -0.0000000), wk = 0.0028902 k( 107) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0028902 k( 108) = ( 0.1575758 0.1575758 -0.0000000), wk = 0.0028902 k( 109) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0028902 k( 110) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0028902 k( 111) = ( 0.1393939 0.1393939 0.0000000), wk = 0.0028902 k( 112) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0028902 k( 113) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0028902 k( 114) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0028902 k( 115) = ( 0.1151515 0.1151515 0.0000000), wk = 0.0028902 k( 116) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0028902 k( 117) = ( 0.1030303 0.1030303 -0.0000000), wk = 0.0028902 k( 118) = ( 0.0969697 0.0969697 0.0000000), wk = 0.0028902 k( 119) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0028902 k( 120) = ( 0.0848485 0.0848485 0.0000000), wk = 0.0028902 k( 121) = ( 0.0787879 0.0787879 -0.0000000), wk = 0.0028902 k( 122) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0028902 k( 123) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0028902 k( 124) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0028902 k( 125) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0028902 k( 126) = ( 0.0484849 0.0484849 0.0000000), wk = 0.0028902 k( 127) = ( 0.0424242 0.0424242 0.0000000), wk = 0.0028902 k( 128) = ( 0.0363636 0.0363636 0.0000000), wk = 0.0028902 k( 129) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0028902 k( 130) = ( 0.0242424 0.0242424 0.0000000), wk = 0.0028902 k( 131) = ( 0.0181818 0.0181818 0.0000000), wk = 0.0028902 k( 132) = ( 0.0121212 0.0121212 0.0000000), wk = 0.0028902 k( 133) = ( 0.0060606 0.0060606 0.0000000), wk = 0.0028902 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 136) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0028902 k( 137) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0028902 k( 138) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0028902 k( 139) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0028902 k( 140) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028902 k( 141) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0028902 k( 142) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0028902 k( 143) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0028902 k( 144) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0028902 k( 145) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028902 k( 146) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0028902 k( 149) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0028902 k( 150) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028902 k( 151) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0028902 k( 152) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0028902 k( 153) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0028902 k( 158) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0028902 k( 159) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0028902 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 162) = ( 0.0104167 -0.0000000 0.5000000), wk = 0.0028902 k( 163) = ( 0.0208333 0.0000000 0.5000000), wk = 0.0028902 k( 164) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0028902 k( 165) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0028902 k( 166) = ( 0.0520833 0.0000000 0.5000000), wk = 0.0028902 k( 167) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0028902 k( 168) = ( 0.0729167 -0.0000000 0.5000000), wk = 0.0028902 k( 169) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0028902 k( 170) = ( 0.0937500 -0.0000000 0.5000000), wk = 0.0028902 k( 171) = ( 0.1041667 -0.0000000 0.5000000), wk = 0.0028902 k( 172) = ( 0.1145833 0.0000000 0.5000000), wk = 0.0028902 k( 173) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0028902 k( 174) = ( 0.1354167 0.0000000 0.5000000), wk = 0.0028902 k( 175) = ( 0.1458333 -0.0000000 0.5000000), wk = 0.0028902 k( 176) = ( 0.1562500 0.0000000 0.5000000), wk = 0.0028902 k( 177) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0028902 k( 178) = ( 0.1770833 -0.0000000 0.5000000), wk = 0.0028902 k( 179) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0028902 k( 180) = ( 0.1979167 0.0000000 0.5000000), wk = 0.0028902 k( 181) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0028902 k( 182) = ( 0.2187500 -0.0000000 0.5000000), wk = 0.0028902 k( 183) = ( 0.2291667 -0.0000000 0.5000000), wk = 0.0028902 k( 184) = ( 0.2395833 0.0000000 0.5000000), wk = 0.0028902 k( 185) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0028902 k( 186) = ( 0.2604167 -0.0000000 0.5000000), wk = 0.0028902 k( 187) = ( 0.2708333 -0.0000000 0.5000000), wk = 0.0028902 k( 188) = ( 0.2812500 -0.0000000 0.5000000), wk = 0.0028902 k( 189) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0028902 k( 190) = ( 0.3020833 -0.0000000 0.5000000), wk = 0.0028902 k( 191) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0028902 k( 192) = ( 0.3229167 0.0000000 0.5000000), wk = 0.0028902 k( 193) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0028902 k( 194) = ( 0.3437500 -0.0000000 0.5000000), wk = 0.0028902 k( 195) = ( 0.3541667 -0.0000000 0.5000000), wk = 0.0028902 k( 196) = ( 0.3645833 -0.0000000 0.5000000), wk = 0.0028902 k( 197) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0028902 k( 198) = ( 0.3854167 0.0000000 0.5000000), wk = 0.0028902 k( 199) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0028902 k( 200) = ( 0.4062500 0.0000000 0.5000000), wk = 0.0028902 k( 201) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0028902 k( 202) = ( 0.4270833 -0.0000000 0.5000000), wk = 0.0028902 k( 203) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0028902 k( 204) = ( 0.4479167 -0.0000000 0.5000000), wk = 0.0028902 k( 205) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0028902 k( 206) = ( 0.4687500 0.0000000 0.5000000), wk = 0.0028902 k( 207) = ( 0.4791667 0.0000000 0.5000000), wk = 0.0028902 k( 208) = ( 0.4895833 0.0000000 0.5000000), wk = 0.0028902 k( 209) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 211) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0028902 k( 212) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0028902 k( 213) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0028902 k( 214) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0028902 k( 215) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0028902 k( 216) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0028902 k( 217) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0028902 k( 218) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0028902 k( 219) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0028902 k( 220) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0028902 k( 221) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0028902 k( 222) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0028902 k( 223) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0028902 k( 224) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028902 k( 225) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0028902 k( 226) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0028902 k( 227) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0028902 k( 228) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0028902 k( 229) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0028902 k( 230) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0028902 k( 231) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0028902 k( 232) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0028902 k( 233) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0028902 k( 234) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0028902 k( 235) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0028902 k( 236) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0028902 k( 237) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0028902 k( 238) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028902 k( 239) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028902 k( 240) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0028902 k( 241) = ( 0.3212121 0.3212121 0.5000000), wk = 0.0028902 k( 242) = ( 0.3151515 0.3151515 0.5000000), wk = 0.0028902 k( 243) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0028902 k( 244) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0028902 k( 245) = ( 0.2969697 0.2969697 0.5000000), wk = 0.0028902 k( 246) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0028902 k( 247) = ( 0.2848485 0.2848485 0.5000000), wk = 0.0028902 k( 248) = ( 0.2787879 0.2787879 0.5000000), wk = 0.0028902 k( 249) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0028902 k( 250) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0028902 k( 251) = ( 0.2606061 0.2606061 0.5000000), wk = 0.0028902 k( 252) = ( 0.2545455 0.2545454 0.5000000), wk = 0.0028902 k( 253) = ( 0.2484849 0.2484849 0.5000000), wk = 0.0028902 k( 254) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0028902 k( 255) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0028902 k( 256) = ( 0.2303030 0.2303030 0.5000000), wk = 0.0028902 k( 257) = ( 0.2242424 0.2242424 0.5000000), wk = 0.0028902 k( 258) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0028902 k( 259) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0028902 k( 260) = ( 0.2060606 0.2060606 0.5000000), wk = 0.0028902 k( 261) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0028902 k( 262) = ( 0.1939394 0.1939394 0.5000000), wk = 0.0028902 k( 263) = ( 0.1878788 0.1878788 0.5000000), wk = 0.0028902 k( 264) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0028902 k( 265) = ( 0.1757576 0.1757576 0.5000000), wk = 0.0028902 k( 266) = ( 0.1696970 0.1696970 0.5000000), wk = 0.0028902 k( 267) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0028902 k( 268) = ( 0.1575758 0.1575758 0.5000000), wk = 0.0028902 k( 269) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0028902 k( 270) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0028902 k( 271) = ( 0.1393939 0.1393939 0.5000000), wk = 0.0028902 k( 272) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0028902 k( 273) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0028902 k( 274) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0028902 k( 275) = ( 0.1151515 0.1151515 0.5000000), wk = 0.0028902 k( 276) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0028902 k( 277) = ( 0.1030303 0.1030303 0.5000000), wk = 0.0028902 k( 278) = ( 0.0969697 0.0969697 0.5000000), wk = 0.0028902 k( 279) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0028902 k( 280) = ( 0.0848485 0.0848485 0.5000000), wk = 0.0028902 k( 281) = ( 0.0787879 0.0787879 0.5000000), wk = 0.0028902 k( 282) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0028902 k( 283) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0028902 k( 284) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0028902 k( 285) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0028902 k( 286) = ( 0.0484849 0.0484849 0.5000000), wk = 0.0028902 k( 287) = ( 0.0424242 0.0424242 0.5000000), wk = 0.0028902 k( 288) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0028902 k( 289) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0028902 k( 290) = ( 0.0242424 0.0242424 0.5000000), wk = 0.0028902 k( 291) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0028902 k( 292) = ( 0.0121212 0.0121212 0.5000000), wk = 0.0028902 k( 293) = ( 0.0060606 0.0060606 0.5000000), wk = 0.0028902 k( 294) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 295) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 296) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0028902 k( 297) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0028902 k( 298) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0028902 k( 299) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0028902 k( 300) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0028902 k( 301) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0028902 k( 302) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0028902 k( 303) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0028902 k( 304) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0028902 k( 305) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0028902 k( 306) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0028902 k( 307) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0028902 k( 308) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0028902 k( 309) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0028902 k( 310) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0028902 k( 311) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0028902 k( 312) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0028902 k( 313) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0028902 k( 314) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0028902 k( 315) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0028902 k( 316) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0028902 k( 317) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0028902 k( 318) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0028902 k( 319) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0028902 k( 320) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028902 k( 321) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028902 k( 322) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0028902 k( 323) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0028902 k( 324) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0028902 k( 325) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0028902 k( 326) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0028902 k( 327) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0028902 k( 328) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0028902 k( 329) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0028902 k( 330) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0028902 k( 331) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0028902 k( 332) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0028902 k( 333) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0028902 k( 334) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0028902 k( 335) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0028902 k( 336) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0028902 k( 337) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0028902 k( 338) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0028902 k( 339) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0028902 k( 340) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0028902 k( 341) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0028902 k( 342) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0028902 k( 343) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0028902 k( 344) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0028902 k( 345) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0028902 k( 346) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028902 Dense grid: 53439 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 23633 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 182, 58) NL pseudopotentials 0.26 Mb ( 91, 186) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1484) G-vector shells 0.01 Mb ( 726) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 182, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.33 Mb ( 186, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SiO2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.7 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.5 secs Computing kpt #: 11 total cpu time spent up to now is 8.1 secs Computing kpt #: 12 total cpu time spent up to now is 8.7 secs Computing kpt #: 13 total cpu time spent up to now is 9.2 secs Computing kpt #: 14 total cpu time spent up to now is 9.9 secs Computing kpt #: 15 total cpu time spent up to now is 10.5 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.7 secs Computing kpt #: 18 total cpu time spent up to now is 12.3 secs Computing kpt #: 19 total cpu time spent up to now is 13.0 secs Computing kpt #: 20 total cpu time spent up to now is 13.7 secs Computing kpt #: 21 total cpu time spent up to now is 14.4 secs Computing kpt #: 22 total cpu time spent up to now is 15.0 secs Computing kpt #: 23 total cpu time spent up to now is 15.7 secs Computing kpt #: 24 total cpu time spent up to now is 16.4 secs Computing kpt #: 25 total cpu time spent up to now is 17.2 secs Computing kpt #: 26 total cpu time spent up to now is 17.8 secs Computing kpt #: 27 total cpu time spent up to now is 18.5 secs Computing kpt #: 28 total cpu time spent up to now is 19.1 secs Computing kpt #: 29 total cpu time spent up to now is 19.8 secs Computing kpt #: 30 total cpu time spent up to now is 20.4 secs Computing kpt #: 31 total cpu time spent up to now is 21.0 secs Computing kpt #: 32 total cpu time spent up to now is 21.7 secs Computing kpt #: 33 total cpu time spent up to now is 22.4 secs Computing kpt #: 34 total cpu time spent up to now is 23.0 secs Computing kpt #: 35 total cpu time spent up to now is 23.7 secs Computing kpt #: 36 total cpu time spent up to now is 24.3 secs Computing kpt #: 37 total cpu time spent up to now is 24.9 secs Computing kpt #: 38 total cpu time spent up to now is 25.5 secs Computing kpt #: 39 total cpu time spent up to now is 26.1 secs Computing kpt #: 40 total cpu time spent up to now is 26.7 secs Computing kpt #: 41 total cpu time spent up to now is 27.3 secs Computing kpt #: 42 total cpu time spent up to now is 27.9 secs Computing kpt #: 43 total cpu time spent up to now is 28.5 secs Computing kpt #: 44 total cpu time spent up to now is 29.1 secs Computing kpt #: 45 total cpu time spent up to now is 29.7 secs Computing kpt #: 46 total cpu time spent up to now is 30.3 secs Computing kpt #: 47 total cpu time spent up to now is 30.9 secs Computing kpt #: 48 total cpu time spent up to now is 31.5 secs Computing kpt #: 49 total cpu time spent up to now is 32.2 secs Computing kpt #: 50 total cpu time spent up to now is 32.7 secs Computing kpt #: 51 total cpu time spent up to now is 33.3 secs Computing kpt #: 52 total cpu time spent up to now is 34.0 secs Computing kpt #: 53 total cpu time spent up to now is 34.5 secs Computing kpt #: 54 total cpu time spent up to now is 35.2 secs Computing kpt #: 55 total cpu time spent up to now is 35.8 secs Computing kpt #: 56 total cpu time spent up to now is 36.4 secs Computing kpt #: 57 total cpu time spent up to now is 37.0 secs Computing kpt #: 58 total cpu time spent up to now is 37.6 secs Computing kpt #: 59 total cpu time spent up to now is 38.2 secs Computing kpt #: 60 total cpu time spent up to now is 38.7 secs Computing kpt #: 61 total cpu time spent up to now is 39.4 secs Computing kpt #: 62 total cpu time spent up to now is 40.0 secs Computing kpt #: 63 total cpu time spent up to now is 40.6 secs Computing kpt #: 64 total cpu time spent up to now is 41.2 secs Computing kpt #: 65 total cpu time spent up to now is 41.8 secs Computing kpt #: 66 total cpu time spent up to now is 42.4 secs Computing kpt #: 67 total cpu time spent up to now is 43.0 secs Computing kpt #: 68 total cpu time spent up to now is 43.6 secs Computing kpt #: 69 total cpu time spent up to now is 44.2 secs Computing kpt #: 70 total cpu time spent up to now is 44.8 secs Computing kpt #: 71 total cpu time spent up to now is 45.4 secs Computing kpt #: 72 total cpu time spent up to now is 46.0 secs Computing kpt #: 73 total cpu time spent up to now is 46.6 secs Computing kpt #: 74 total cpu time spent up to now is 47.3 secs Computing kpt #: 75 total cpu time spent up to now is 48.0 secs Computing kpt #: 76 total cpu time spent up to now is 48.6 secs Computing kpt #: 77 total cpu time spent up to now is 49.3 secs Computing kpt #: 78 total cpu time spent up to now is 50.0 secs Computing kpt #: 79 total cpu time spent up to now is 50.6 secs Computing kpt #: 80 total cpu time spent up to now is 51.4 secs Computing kpt #: 81 total cpu time spent up to now is 52.0 secs Computing kpt #: 82 total cpu time spent up to now is 52.7 secs Computing kpt #: 83 total cpu time spent up to now is 53.4 secs Computing kpt #: 84 total cpu time spent up to now is 54.1 secs Computing kpt #: 85 total cpu time spent up to now is 54.8 secs Computing kpt #: 86 total cpu time spent up to now is 55.4 secs Computing kpt #: 87 total cpu time spent up to now is 55.9 secs Computing kpt #: 88 total cpu time spent up to now is 56.5 secs Computing kpt #: 89 total cpu time spent up to now is 57.1 secs Computing kpt #: 90 total cpu time spent up to now is 57.7 secs Computing kpt #: 91 total cpu time spent up to now is 58.2 secs Computing kpt #: 92 total cpu time spent up to now is 58.8 secs Computing kpt #: 93 total cpu time spent up to now is 59.3 secs Computing kpt #: 94 total cpu time spent up to now is 59.8 secs Computing kpt #: 95 total cpu time spent up to now is 60.4 secs Computing kpt #: 96 total cpu time spent up to now is 60.9 secs Computing kpt #: 97 total cpu time spent up to now is 61.5 secs Computing kpt #: 98 total cpu time spent up to now is 62.1 secs Computing kpt #: 99 total cpu time spent up to now is 62.6 secs Computing kpt #: 100 total cpu time spent up to now is 63.1 secs Computing kpt #: 101 total cpu time spent up to now is 63.7 secs Computing kpt #: 102 total cpu time spent up to now is 64.3 secs Computing kpt #: 103 total cpu time spent up to now is 64.9 secs Computing kpt #: 104 total cpu time spent up to now is 65.4 secs Computing kpt #: 105 total cpu time spent up to now is 66.0 secs Computing kpt #: 106 total cpu time spent up to now is 66.5 secs Computing kpt #: 107 total cpu time spent up to now is 67.1 secs Computing kpt #: 108 total cpu time spent up to now is 67.7 secs Computing kpt #: 109 total cpu time spent up to now is 68.3 secs Computing kpt #: 110 total cpu time spent up to now is 68.9 secs Computing kpt #: 111 total cpu time spent up to now is 69.5 secs Computing kpt #: 112 total cpu time spent up to now is 70.1 secs Computing kpt #: 113 total cpu time spent up to now is 70.6 secs Computing kpt #: 114 total cpu time spent up to now is 71.3 secs Computing kpt #: 115 total cpu time spent up to now is 71.9 secs Computing kpt #: 116 total cpu time spent up to now is 72.5 secs Computing kpt #: 117 total cpu time spent up to now is 73.0 secs Computing kpt #: 118 total cpu time spent up to now is 73.6 secs Computing kpt #: 119 total cpu time spent up to now is 74.1 secs Computing kpt #: 120 total cpu time spent up to now is 74.7 secs Computing kpt #: 121 total cpu time spent up to now is 75.3 secs Computing kpt #: 122 total cpu time spent up to now is 75.9 secs Computing kpt #: 123 total cpu time spent up to now is 76.5 secs Computing kpt #: 124 total cpu time spent up to now is 77.1 secs Computing kpt #: 125 total cpu time spent up to now is 77.7 secs Computing kpt #: 126 total cpu time spent up to now is 78.3 secs Computing kpt #: 127 total cpu time spent up to now is 78.9 secs Computing kpt #: 128 total cpu time spent up to now is 79.5 secs Computing kpt #: 129 total cpu time spent up to now is 80.1 secs Computing kpt #: 130 total cpu time spent up to now is 80.7 secs Computing kpt #: 131 total cpu time spent up to now is 81.3 secs Computing kpt #: 132 total cpu time spent up to now is 81.9 secs Computing kpt #: 133 total cpu time spent up to now is 82.5 secs Computing kpt #: 134 total cpu time spent up to now is 83.2 secs Computing kpt #: 135 total cpu time spent up to now is 83.8 secs Computing kpt #: 136 total cpu time spent up to now is 84.5 secs Computing kpt #: 137 total cpu time spent up to now is 85.1 secs Computing kpt #: 138 total cpu time spent up to now is 85.8 secs Computing kpt #: 139 total cpu time spent up to now is 86.5 secs Computing kpt #: 140 total cpu time spent up to now is 87.1 secs Computing kpt #: 141 total cpu time spent up to now is 87.8 secs Computing kpt #: 142 total cpu time spent up to now is 88.5 secs Computing kpt #: 143 total cpu time spent up to now is 89.2 secs Computing kpt #: 144 total cpu time spent up to now is 89.9 secs Computing kpt #: 145 total cpu time spent up to now is 90.5 secs Computing kpt #: 146 total cpu time spent up to now is 91.2 secs Computing kpt #: 147 total cpu time spent up to now is 91.8 secs Computing kpt #: 148 total cpu time spent up to now is 92.4 secs Computing kpt #: 149 total cpu time spent up to now is 93.0 secs Computing kpt #: 150 total cpu time spent up to now is 93.6 secs Computing kpt #: 151 total cpu time spent up to now is 94.2 secs Computing kpt #: 152 total cpu time spent up to now is 94.8 secs Computing kpt #: 153 total cpu time spent up to now is 95.4 secs Computing kpt #: 154 total cpu time spent up to now is 96.0 secs Computing kpt #: 155 total cpu time spent up to now is 96.6 secs Computing kpt #: 156 total cpu time spent up to now is 97.2 secs Computing kpt #: 157 total cpu time spent up to now is 97.9 secs Computing kpt #: 158 total cpu time spent up to now is 98.5 secs Computing kpt #: 159 total cpu time spent up to now is 99.1 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.8 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.5 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 104.2 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.9 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 107.6 secs Computing kpt #: 165 total cpu time spent up to now is 108.4 secs Computing kpt #: 166 total cpu time spent up to now is 109.3 secs Computing kpt #: 167 total cpu time spent up to now is 110.1 secs Computing kpt #: 168 total cpu time spent up to now is 110.8 secs Computing kpt #: 169 total cpu time spent up to now is 111.4 secs Computing kpt #: 170 total cpu time spent up to now is 112.1 secs Computing kpt #: 171 total cpu time spent up to now is 112.8 secs Computing kpt #: 172 total cpu time spent up to now is 113.4 secs Computing kpt #: 173 total cpu time spent up to now is 114.1 secs Computing kpt #: 174 total cpu time spent up to now is 114.8 secs Computing kpt #: 175 total cpu time spent up to now is 115.4 secs Computing kpt #: 176 total cpu time spent up to now is 116.0 secs Computing kpt #: 177 total cpu time spent up to now is 116.6 secs Computing kpt #: 178 total cpu time spent up to now is 117.2 secs Computing kpt #: 179 total cpu time spent up to now is 117.8 secs Computing kpt #: 180 total cpu time spent up to now is 118.4 secs Computing kpt #: 181 total cpu time spent up to now is 119.0 secs Computing kpt #: 182 total cpu time spent up to now is 119.6 secs Computing kpt #: 183 total cpu time spent up to now is 120.1 secs Computing kpt #: 184 total cpu time spent up to now is 120.7 secs Computing kpt #: 185 total cpu time spent up to now is 121.3 secs Computing kpt #: 186 total cpu time spent up to now is 121.9 secs Computing kpt #: 187 total cpu time spent up to now is 122.5 secs Computing kpt #: 188 total cpu time spent up to now is 123.0 secs Computing kpt #: 189 total cpu time spent up to now is 123.6 secs Computing kpt #: 190 total cpu time spent up to now is 124.1 secs Computing kpt #: 191 total cpu time spent up to now is 124.7 secs Computing kpt #: 192 total cpu time spent up to now is 125.3 secs Computing kpt #: 193 total cpu time spent up to now is 125.9 secs Computing kpt #: 194 total cpu time spent up to now is 126.4 secs Computing kpt #: 195 total cpu time spent up to now is 126.9 secs Computing kpt #: 196 total cpu time spent up to now is 127.5 secs Computing kpt #: 197 total cpu time spent up to now is 128.1 secs Computing kpt #: 198 total cpu time spent up to now is 128.6 secs Computing kpt #: 199 total cpu time spent up to now is 129.1 secs Computing kpt #: 200 total cpu time spent up to now is 129.7 secs Computing kpt #: 201 total cpu time spent up to now is 130.3 secs Computing kpt #: 202 total cpu time spent up to now is 130.9 secs Computing kpt #: 203 total cpu time spent up to now is 131.4 secs Computing kpt #: 204 total cpu time spent up to now is 131.9 secs Computing kpt #: 205 total cpu time spent up to now is 132.5 secs Computing kpt #: 206 total cpu time spent up to now is 133.1 secs Computing kpt #: 207 total cpu time spent up to now is 133.7 secs Computing kpt #: 208 total cpu time spent up to now is 134.3 secs Computing kpt #: 209 total cpu time spent up to now is 135.0 secs Computing kpt #: 210 total cpu time spent up to now is 135.6 secs Computing kpt #: 211 total cpu time spent up to now is 136.3 secs Computing kpt #: 212 total cpu time spent up to now is 136.8 secs Computing kpt #: 213 total cpu time spent up to now is 137.4 secs Computing kpt #: 214 total cpu time spent up to now is 138.0 secs Computing kpt #: 215 total cpu time spent up to now is 138.7 secs Computing kpt #: 216 total cpu time spent up to now is 139.3 secs Computing kpt #: 217 total cpu time spent up to now is 139.9 secs Computing kpt #: 218 total cpu time spent up to now is 140.6 secs Computing kpt #: 219 total cpu time spent up to now is 141.2 secs Computing kpt #: 220 total cpu time spent up to now is 141.8 secs Computing kpt #: 221 total cpu time spent up to now is 142.5 secs Computing kpt #: 222 total cpu time spent up to now is 143.2 secs Computing kpt #: 223 total cpu time spent up to now is 143.8 secs Computing kpt #: 224 total cpu time spent up to now is 144.7 secs Computing kpt #: 225 total cpu time spent up to now is 145.4 secs Computing kpt #: 226 total cpu time spent up to now is 146.1 secs Computing kpt #: 227 total cpu time spent up to now is 147.4 secs Computing kpt #: 228 total cpu time spent up to now is 148.8 secs Computing kpt #: 229 total cpu time spent up to now is 149.7 secs Computing kpt #: 230 total cpu time spent up to now is 150.4 secs Computing kpt #: 231 total cpu time spent up to now is 151.0 secs Computing kpt #: 232 total cpu time spent up to now is 151.6 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 153.3 secs Computing kpt #: 234 total cpu time spent up to now is 154.0 secs Computing kpt #: 235 total cpu time spent up to now is 154.7 secs Computing kpt #: 236 total cpu time spent up to now is 155.5 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 157.3 secs Computing kpt #: 238 total cpu time spent up to now is 159.0 secs Computing kpt #: 239 total cpu time spent up to now is 159.8 secs Computing kpt #: 240 total cpu time spent up to now is 160.7 secs Computing kpt #: 241 total cpu time spent up to now is 161.4 secs Computing kpt #: 242 total cpu time spent up to now is 162.2 secs Computing kpt #: 243 total cpu time spent up to now is 162.9 secs Computing kpt #: 244 total cpu time spent up to now is 163.6 secs Computing kpt #: 245 total cpu time spent up to now is 164.2 secs Computing kpt #: 246 total cpu time spent up to now is 164.8 secs Computing kpt #: 247 total cpu time spent up to now is 165.5 secs Computing kpt #: 248 total cpu time spent up to now is 166.3 secs Computing kpt #: 249 total cpu time spent up to now is 166.9 secs Computing kpt #: 250 total cpu time spent up to now is 167.5 secs Computing kpt #: 251 total cpu time spent up to now is 168.0 secs Computing kpt #: 252 total cpu time spent up to now is 168.6 secs Computing kpt #: 253 total cpu time spent up to now is 169.1 secs Computing kpt #: 254 total cpu time spent up to now is 169.7 secs Computing kpt #: 255 total cpu time spent up to now is 170.2 secs Computing kpt #: 256 total cpu time spent up to now is 170.8 secs Computing kpt #: 257 total cpu time spent up to now is 171.3 secs Computing kpt #: 258 total cpu time spent up to now is 171.9 secs Computing kpt #: 259 total cpu time spent up to now is 172.5 secs Computing kpt #: 260 total cpu time spent up to now is 173.0 secs Computing kpt #: 261 total cpu time spent up to now is 173.5 secs Computing kpt #: 262 total cpu time spent up to now is 174.1 secs Computing kpt #: 263 total cpu time spent up to now is 174.6 secs Computing kpt #: 264 total cpu time spent up to now is 175.2 secs Computing kpt #: 265 total cpu time spent up to now is 175.7 secs Computing kpt #: 266 total cpu time spent up to now is 176.3 secs Computing kpt #: 267 total cpu time spent up to now is 176.9 secs Computing kpt #: 268 total cpu time spent up to now is 177.5 secs Computing kpt #: 269 total cpu time spent up to now is 178.0 secs Computing kpt #: 270 total cpu time spent up to now is 178.6 secs Computing kpt #: 271 total cpu time spent up to now is 179.2 secs Computing kpt #: 272 total cpu time spent up to now is 179.8 secs Computing kpt #: 273 total cpu time spent up to now is 180.4 secs Computing kpt #: 274 total cpu time spent up to now is 181.0 secs Computing kpt #: 275 total cpu time spent up to now is 181.6 secs Computing kpt #: 276 total cpu time spent up to now is 182.2 secs Computing kpt #: 277 total cpu time spent up to now is 182.8 secs Computing kpt #: 278 total cpu time spent up to now is 183.4 secs Computing kpt #: 279 total cpu time spent up to now is 184.1 secs Computing kpt #: 280 total cpu time spent up to now is 184.7 secs Computing kpt #: 281 total cpu time spent up to now is 185.4 secs Computing kpt #: 282 total cpu time spent up to now is 186.1 secs Computing kpt #: 283 total cpu time spent up to now is 186.7 secs Computing kpt #: 284 total cpu time spent up to now is 187.4 secs Computing kpt #: 285 total cpu time spent up to now is 188.1 secs Computing kpt #: 286 total cpu time spent up to now is 188.8 secs Computing kpt #: 287 total cpu time spent up to now is 189.6 secs Computing kpt #: 288 total cpu time spent up to now is 190.4 secs Computing kpt #: 289 total cpu time spent up to now is 191.3 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 193.0 secs Computing kpt #: 291 total cpu time spent up to now is 194.1 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 195.8 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.5 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.1 secs Computing kpt #: 295 total cpu time spent up to now is 199.8 secs Computing kpt #: 296 total cpu time spent up to now is 200.4 secs Computing kpt #: 297 total cpu time spent up to now is 201.0 secs Computing kpt #: 298 total cpu time spent up to now is 201.6 secs Computing kpt #: 299 total cpu time spent up to now is 202.3 secs Computing kpt #: 300 total cpu time spent up to now is 202.9 secs Computing kpt #: 301 total cpu time spent up to now is 203.6 secs Computing kpt #: 302 total cpu time spent up to now is 204.2 secs Computing kpt #: 303 total cpu time spent up to now is 204.9 secs Computing kpt #: 304 total cpu time spent up to now is 205.5 secs Computing kpt #: 305 total cpu time spent up to now is 206.2 secs Computing kpt #: 306 total cpu time spent up to now is 206.8 secs Computing kpt #: 307 total cpu time spent up to now is 207.5 secs Computing kpt #: 308 total cpu time spent up to now is 208.1 secs Computing kpt #: 309 total cpu time spent up to now is 208.7 secs Computing kpt #: 310 total cpu time spent up to now is 209.2 secs Computing kpt #: 311 total cpu time spent up to now is 209.8 secs Computing kpt #: 312 total cpu time spent up to now is 210.4 secs Computing kpt #: 313 total cpu time spent up to now is 211.0 secs Computing kpt #: 314 total cpu time spent up to now is 211.9 secs Computing kpt #: 315 total cpu time spent up to now is 212.6 secs Computing kpt #: 316 total cpu time spent up to now is 213.1 secs Computing kpt #: 317 total cpu time spent up to now is 213.8 secs Computing kpt #: 318 total cpu time spent up to now is 214.4 secs Computing kpt #: 319 total cpu time spent up to now is 215.0 secs Computing kpt #: 320 total cpu time spent up to now is 215.6 secs Computing kpt #: 321 total cpu time spent up to now is 216.3 secs Computing kpt #: 322 total cpu time spent up to now is 217.0 secs Computing kpt #: 323 total cpu time spent up to now is 217.7 secs Computing kpt #: 324 total cpu time spent up to now is 218.4 secs Computing kpt #: 325 total cpu time spent up to now is 219.1 secs Computing kpt #: 326 total cpu time spent up to now is 219.8 secs Computing kpt #: 327 total cpu time spent up to now is 220.5 secs Computing kpt #: 328 total cpu time spent up to now is 221.2 secs Computing kpt #: 329 total cpu time spent up to now is 222.3 secs Computing kpt #: 330 total cpu time spent up to now is 222.9 secs Computing kpt #: 331 total cpu time spent up to now is 223.6 secs Computing kpt #: 332 total cpu time spent up to now is 224.3 secs Computing kpt #: 333 total cpu time spent up to now is 225.5 secs Computing kpt #: 334 total cpu time spent up to now is 226.2 secs Computing kpt #: 335 total cpu time spent up to now is 226.9 secs Computing kpt #: 336 total cpu time spent up to now is 227.7 secs Computing kpt #: 337 total cpu time spent up to now is 228.9 secs Computing kpt #: 338 total cpu time spent up to now is 229.6 secs Computing kpt #: 339 total cpu time spent up to now is 230.8 secs Computing kpt #: 340 total cpu time spent up to now is 231.5 secs Computing kpt #: 341 total cpu time spent up to now is 232.3 secs Computing kpt #: 342 total cpu time spent up to now is 234.0 secs Computing kpt #: 343 total cpu time spent up to now is 234.8 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 236.5 secs Computing kpt #: 345 total cpu time spent up to now is 237.3 secs Computing kpt #: 346 total cpu time spent up to now is 238.1 secs ethr = 2.08E-08, avg # of iterations = 27.6 total cpu time spent up to now is 238.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2949 PWs) bands (ev): -13.7758 -13.7758 -12.1203 -12.1203 -12.1202 -12.1202 -8.8998 -8.8998 -8.8997 -8.8997 -8.4367 -8.4367 -0.2134 -0.2134 0.3391 0.3391 0.3403 0.3403 0.9052 0.9052 0.9101 0.9101 3.5993 3.5993 3.6006 3.6006 3.8174 3.8174 3.8561 3.8561 4.7807 4.7807 4.7810 4.7810 5.3367 5.3367 6.1466 6.1466 6.1491 6.1491 7.0624 7.0624 8.3747 8.3747 8.3906 8.3906 8.4827 8.4827 10.1130 10.1130 13.2827 13.2827 13.2828 13.2828 16.2507 16.2507 16.2531 16.2531 k = 0.0104 0.0060-0.0000 ( 2953 PWs) bands (ev): -13.7750 -13.7750 -12.1200 -12.1200 -12.1196 -12.1195 -8.9018 -8.9018 -8.9002 -8.9001 -8.4378 -8.4377 -0.2126 -0.2125 0.3366 0.3370 0.3384 0.3390 0.9087 0.9089 0.9141 0.9142 3.5907 3.5915 3.5991 3.5994 3.8167 3.8168 3.8604 3.8615 4.7814 4.7818 4.7825 4.7827 5.3367 5.3368 6.1468 6.1468 6.1489 6.1496 7.0630 7.0632 8.3711 8.3716 8.3882 8.3882 8.4824 8.4826 10.1184 10.1184 13.2820 13.2823 13.2833 13.2834 16.2511 16.2513 16.2537 16.2538 k = 0.0208 0.0120-0.0000 ( 2957 PWs) bands (ev): -13.7728 -13.7728 -12.1193 -12.1193 -12.1175 -12.1174 -8.9078 -8.9078 -8.9014 -8.9014 -8.4408 -8.4408 -0.2102 -0.2099 0.3287 0.3296 0.3346 0.3358 0.9181 0.9189 0.9270 0.9277 3.5659 3.5674 3.5966 3.5972 3.8147 3.8149 3.8724 3.8745 4.7834 4.7841 4.7873 4.7877 5.3370 5.3371 6.1469 6.1473 6.1495 6.1506 7.0651 7.0655 8.3569 8.3578 8.3852 8.3855 8.4819 8.4821 10.1346 10.1346 13.2801 13.2806 13.2851 13.2853 16.2518 16.2525 16.2559 16.2566 k = 0.0312 0.0180-0.0000 ( 2957 PWs) bands (ev): -13.7690 -13.7690 -12.1180 -12.1180 -12.1139 -12.1139 -8.9179 -8.9179 -8.9036 -8.9035 -8.4459 -8.4458 -0.2062 -0.2057 0.3164 0.3175 0.3290 0.3308 0.9323 0.9337 0.9492 0.9503 3.5294 3.5314 3.5926 3.5936 3.8115 3.8119 3.8888 3.8915 4.7867 4.7878 4.7951 4.7958 5.3375 5.3377 6.1469 6.1480 6.1510 6.1521 7.0687 7.0692 8.3306 8.3317 8.3841 8.3847 8.4807 8.4810 10.1608 10.1608 13.2772 13.2779 13.2880 13.2884 16.2524 16.2537 16.2604 16.2616 k = 0.0417 0.0241-0.0000 ( 2953 PWs) bands (ev): -13.7637 -13.7637 -12.1163 -12.1162 -12.1090 -12.1089 -8.9320 -8.9320 -8.9066 -8.9065 -8.4529 -8.4528 -0.2006 -0.2000 0.3004 0.3018 0.3219 0.3241 0.9515 0.9533 0.9796 0.9810 3.4846 3.4868 3.5874 3.5886 3.8071 3.8075 3.9064 3.9095 4.7911 4.7925 4.8056 4.8065 5.3383 5.3387 6.1469 6.1487 6.1532 6.1543 7.0738 7.0745 8.2943 8.2955 8.3838 8.3847 8.4787 8.4791 10.1961 10.1961 13.2732 13.2741 13.2922 13.2927 16.2532 16.2549 16.2669 16.2685 k = 0.0521 0.0301-0.0000 ( 2951 PWs) bands (ev): -13.7569 -13.7569 -12.1141 -12.1139 -12.1027 -12.1026 -8.9499 -8.9499 -8.9106 -8.9105 -8.4618 -8.4617 -0.1934 -0.1927 0.2816 0.2832 0.3136 0.3163 0.9753 0.9774 1.0170 1.0186 3.4339 3.4362 3.5809 3.5824 3.8013 3.8019 3.9234 3.9269 4.7963 4.7981 4.8182 4.8193 5.3397 5.3401 6.1468 6.1494 6.1561 6.1573 7.0805 7.0814 8.2497 8.2509 8.3836 8.3849 8.4761 8.4764 10.2394 10.2394 13.2683 13.2695 13.2974 13.2980 16.2541 16.2561 16.2751 16.2770 k = 0.0625 0.0361-0.0000 ( 2947 PWs) bands (ev): -13.7487 -13.7486 -12.1113 -12.1112 -12.0949 -12.0948 -8.9717 -8.9716 -8.9156 -8.9155 -8.4725 -8.4724 -0.1849 -0.1840 0.2610 0.2627 0.3047 0.3076 1.0032 1.0056 1.0606 1.0624 3.3787 3.3811 3.5734 3.5751 3.7944 3.7950 3.9391 3.9429 4.8021 4.8040 4.8323 4.8336 5.3417 5.3422 6.1468 6.1499 6.1596 6.1612 7.0888 7.0898 8.1981 8.1993 8.3832 8.3847 8.4728 8.4733 10.2895 10.2896 13.2626 13.2640 13.3037 13.3044 16.2552 16.2574 16.2849 16.2870 k = 0.0729 0.0421-0.0000 ( 2947 PWs) bands (ev): -13.7389 -13.7389 -12.1081 -12.1079 -12.0858 -12.0857 -8.9971 -8.9970 -8.9217 -8.9215 -8.4849 -8.4848 -0.1751 -0.1741 0.2390 0.2408 0.2955 0.2987 1.0349 1.0375 1.1096 1.1116 3.3202 3.3226 3.5650 3.5668 3.7861 3.7869 3.9529 3.9570 4.8079 4.8101 4.8473 4.8488 5.3445 5.3452 6.1466 6.1501 6.1638 6.1660 7.0987 7.0999 8.1405 8.1418 8.3821 8.3839 8.4692 8.4698 10.3453 10.3454 13.2563 13.2579 13.3108 13.3116 16.2563 16.2587 16.2961 16.2983 k = 0.0833 0.0481-0.0000 ( 2941 PWs) bands (ev): -13.7277 -13.7277 -12.1044 -12.1042 -12.0752 -12.0751 -9.0260 -9.0259 -8.9290 -8.9288 -8.4989 -8.4987 -0.1641 -0.1630 0.2162 0.2181 0.2863 0.2897 1.0698 1.0726 1.1637 1.1657 3.2592 3.2616 3.5559 3.5578 3.7768 3.7776 3.9647 3.9691 4.8135 4.8159 4.8626 4.8642 5.3485 5.3492 6.1460 6.1498 6.1690 6.1718 7.1104 7.1117 8.0781 8.0794 8.3800 8.3820 8.4658 8.4665 10.4057 10.4058 13.2495 13.2512 13.3188 13.3197 16.2573 16.2599 16.3084 16.3107 k = 0.0938 0.0541-0.0000 ( 2941 PWs) bands (ev): -13.7150 -13.7150 -12.1002 -12.1000 -12.0633 -12.0632 -9.0584 -9.0583 -8.9376 -8.9373 -8.5143 -8.5141 -0.1522 -0.1510 0.1930 0.1950 0.2775 0.2810 1.1077 1.1106 1.2222 1.2243 3.1962 3.1986 3.5461 3.5482 3.7665 3.7674 3.9746 3.9792 4.8184 4.8210 4.8777 4.8794 5.3538 5.3546 6.1447 6.1488 6.1753 6.1789 7.1237 7.1251 8.0117 8.0131 8.3763 8.3784 8.4629 8.4636 10.4698 10.4699 13.2424 13.2442 13.3274 13.3284 16.2582 16.2608 16.3218 16.3239 k = 0.1042 0.0601-0.0000 ( 2939 PWs) bands (ev): -13.7009 -13.7009 -12.0955 -12.0953 -12.0500 -12.0498 -9.0941 -9.0939 -8.9476 -8.9474 -8.5309 -8.5306 -0.1396 -0.1383 0.1698 0.1719 0.2693 0.2729 1.1482 1.1511 1.2849 1.2870 3.1319 3.1343 3.5359 3.5380 3.7555 3.7564 3.9825 3.9874 4.8222 4.8250 4.8922 4.8939 5.3607 5.3616 6.1426 6.1468 6.1829 6.1872 7.1387 7.1401 7.9422 7.9437 8.3706 8.3727 8.4609 8.4617 10.5367 10.5368 13.2351 13.2371 13.3366 13.3377 16.2588 16.2613 16.3359 16.3379 k = 0.1146 0.0662-0.0000 ( 2935 PWs) bands (ev): -13.6853 -13.6853 -12.0904 -12.0902 -12.0353 -12.0351 -9.1328 -9.1327 -8.9593 -8.9590 -8.5485 -8.5482 -0.1266 -0.1253 0.1470 0.1490 0.2620 0.2655 1.1909 1.1939 1.3514 1.3535 3.0668 3.0691 3.5252 3.5274 3.7439 3.7449 3.9886 3.9937 4.8246 4.8275 4.9056 4.9074 5.3693 5.3704 6.1393 6.1437 6.1920 6.1970 7.1553 7.1568 7.8703 7.8719 8.3623 8.3644 8.4603 8.4611 10.6057 10.6059 13.2278 13.2300 13.3462 13.3474 16.2590 16.2615 16.3508 16.3524 k = 0.1250 0.0722-0.0000 ( 2931 PWs) bands (ev): -13.6684 -13.6684 -12.0848 -12.0845 -12.0192 -12.0190 -9.1746 -9.1744 -8.9728 -8.9724 -8.5667 -8.5664 -0.1136 -0.1123 0.1248 0.1269 0.2556 0.2591 1.2357 1.2388 1.4216 1.4237 3.0011 3.0035 3.5141 3.5164 3.7321 3.7331 3.9928 3.9981 4.8252 4.8281 4.9180 4.9197 5.3799 5.3811 6.1346 6.1391 6.2026 6.2083 7.1733 7.1748 7.7966 7.7983 8.3514 8.3533 8.4610 8.4618 10.6762 10.6763 13.2208 13.2231 13.3561 13.3574 16.2588 16.2611 16.3661 16.3674 k = 0.1354 0.0782-0.0000 ( 2943 PWs) bands (ev): -13.6501 -13.6500 -12.0788 -12.0785 -12.0017 -12.0016 -9.2191 -9.2189 -8.9883 -8.9879 -8.5854 -8.5851 -0.1013 -0.1000 0.1038 0.1059 0.2503 0.2538 1.2823 1.2853 1.4951 1.4972 2.9355 2.9378 3.5028 3.5050 3.7203 3.7214 3.9951 4.0006 4.8238 4.8266 4.9291 4.9308 5.3924 5.3937 6.1283 6.1330 6.2148 6.2212 7.1926 7.1941 7.7217 7.7235 8.3376 8.3394 8.4629 8.4638 10.7475 10.7477 13.2140 13.2164 13.3661 13.3675 16.2580 16.2602 16.3818 16.3827 k = 0.1458 0.0842-0.0000 ( 2939 PWs) bands (ev): -13.6304 -13.6304 -12.0722 -12.0719 -11.9829 -11.9827 -9.2664 -9.2661 -9.0060 -9.0056 -8.6042 -8.6039 -0.0903 -0.0891 0.0847 0.0868 0.2464 0.2498 1.3303 1.3334 1.5718 1.5739 2.8702 2.8725 3.4911 3.4934 3.7089 3.7100 3.9956 4.0013 4.8201 4.8229 4.9392 4.9407 5.4068 5.4084 6.1203 6.1251 6.2287 6.2356 7.2128 7.2143 7.6463 7.6482 8.3212 8.3228 8.4659 8.4670 10.8192 10.8195 13.2078 13.2103 13.3761 13.3776 16.2569 16.2588 16.3977 16.3984 k = 0.1562 0.0902-0.0000 ( 2935 PWs) bands (ev): -13.6094 -13.6094 -12.0653 -12.0649 -11.9628 -11.9626 -9.3160 -9.3158 -9.0261 -9.0257 -8.6229 -8.6225 -0.0821 -0.0811 0.0686 0.0706 0.2439 0.2471 1.3797 1.3827 1.6515 1.6535 2.8056 2.8080 3.4792 3.4814 3.6980 3.6992 3.9942 4.0002 4.8140 4.8168 4.9481 4.9496 5.4232 5.4249 6.1105 6.1155 6.2441 6.2515 7.2335 7.2350 7.5710 7.5730 8.3023 8.3036 8.4698 8.4710 10.8909 10.8912 13.2022 13.2047 13.3860 13.3876 16.2553 16.2570 16.4137 16.4147 k = 0.1667 0.0962-0.0000 ( 2936 PWs) bands (ev): -13.5872 -13.5871 -12.0579 -12.0575 -11.9413 -11.9411 -9.3681 -9.3678 -9.0488 -9.0484 -8.6411 -8.6407 -0.0783 -0.0774 0.0569 0.0589 0.2430 0.2461 1.4300 1.4330 1.7338 1.7358 2.7422 2.7446 3.4669 3.4691 3.6881 3.6892 3.9910 3.9971 4.8057 4.8083 4.9562 4.9575 5.4413 5.4432 6.0988 6.1039 6.2609 6.2688 7.2537 7.2551 7.4970 7.4991 8.2807 8.2818 8.4744 8.4757 10.9623 10.9626 13.1972 13.1998 13.3956 13.3973 16.2533 16.2548 16.4299 16.4314 k = 0.1771 0.1022-0.0000 ( 2938 PWs) bands (ev): -13.5636 -13.5636 -12.0501 -12.0497 -11.9184 -11.9182 -9.4222 -9.4219 -9.0743 -9.0738 -8.6587 -8.6583 -0.0804 -0.0796 0.0507 0.0527 0.2440 0.2468 1.4812 1.4840 1.8184 1.8205 2.6804 2.6829 3.4544 3.4565 3.6793 3.6804 3.9860 3.9923 4.7952 4.7977 4.9634 4.9646 5.4609 5.4631 6.0852 6.0905 6.2791 6.2874 7.2705 7.2720 7.4271 7.4292 8.2566 8.2575 8.4795 8.4810 11.0329 11.0332 13.1930 13.1957 13.4049 13.4067 16.2511 16.2525 16.4463 16.4485 k = 0.1875 0.1083-0.0000 ( 2944 PWs) bands (ev): -13.5389 -13.5388 -12.0418 -12.0414 -11.8943 -11.8941 -9.4784 -9.4781 -9.1025 -9.1020 -8.6754 -8.6750 -0.0887 -0.0877 0.0502 0.0521 0.2468 0.2493 1.5327 1.5354 1.9049 1.9070 2.6210 2.6235 3.4416 3.4436 3.6717 3.6728 3.9793 3.9857 4.7829 4.7852 4.9699 4.9710 5.4819 5.4843 6.0697 6.0751 6.2985 6.3071 7.2727 7.2746 7.3725 7.3748 8.2300 8.2308 8.4851 8.4867 11.1025 11.1029 13.1895 13.1923 13.4137 13.4155 16.2489 16.2501 16.4632 16.4660 k = 0.1979 0.1143-0.0000 ( 2952 PWs) bands (ev): -13.5130 -13.5129 -12.0331 -12.0326 -11.8689 -11.8686 -9.5364 -9.5361 -9.1336 -9.1331 -8.6911 -8.6907 -0.1019 -0.1008 0.0538 0.0556 0.2517 0.2539 1.5844 1.5870 1.9925 1.9946 2.5648 2.5674 3.4285 3.4305 3.6656 3.6667 3.9708 3.9773 4.7689 4.7710 4.9758 4.9767 5.5041 5.5067 6.0524 6.0579 6.3188 6.3278 7.2352 7.2376 7.3586 7.3606 8.2008 8.2016 8.4909 8.4926 11.1708 11.1712 13.1868 13.1896 13.4220 13.4239 16.2468 16.2478 16.4805 16.4839 k = 0.2083 0.1203-0.0000 ( 2946 PWs) bands (ev): -13.4859 -13.4858 -12.0239 -12.0234 -11.8421 -11.8418 -9.5961 -9.5957 -9.1674 -9.1669 -8.7057 -8.7053 -0.1183 -0.1171 0.0597 0.0614 0.2587 0.2606 1.6358 1.6381 2.0795 2.0818 2.5139 2.5164 3.4153 3.4171 3.6611 3.6620 3.9607 3.9673 4.7535 4.7555 4.9811 4.9820 5.5272 5.5301 6.0332 6.0389 6.3398 6.3492 7.1727 7.1752 7.3711 7.3727 8.1691 8.1700 8.4970 8.4988 11.2377 11.2382 13.1848 13.1877 13.4298 13.4318 16.2449 16.2458 16.4987 16.5025 k = 0.2188 0.1263-0.0000 ( 2946 PWs) bands (ev): -13.4578 -13.4577 -12.0143 -12.0138 -11.8141 -11.8138 -9.6573 -9.6569 -9.2039 -9.2034 -8.7193 -8.7189 -0.1366 -0.1353 0.0663 0.0679 0.2679 0.2694 1.6864 1.6883 2.1619 2.1647 2.4726 2.4749 3.4019 3.4036 3.6581 3.6589 3.9491 3.9557 4.7372 4.7390 4.9859 4.9867 5.5509 5.5541 6.0123 6.0181 6.3613 6.3710 7.1051 7.1077 7.3895 7.3910 8.1348 8.1358 8.5033 8.5051 11.3029 11.3035 13.1834 13.1863 13.4370 13.4391 16.2434 16.2442 16.5176 16.5218 k = 0.2292 0.1323-0.0000 ( 2948 PWs) bands (ev): -13.4287 -13.4286 -12.0042 -12.0037 -11.7848 -11.7845 -9.7199 -9.7195 -9.2429 -9.2424 -8.7318 -8.7314 -0.1560 -0.1546 0.0729 0.0743 0.2791 0.2803 1.7353 1.7368 2.2282 2.2319 2.4531 2.4547 3.3884 3.3900 3.6565 3.6573 3.9360 3.9427 4.7203 4.7219 4.9901 4.9910 5.5751 5.5785 5.9898 5.9957 6.3830 6.3929 7.0377 7.0404 7.4089 7.4104 8.0979 8.0992 8.5096 8.5115 11.3665 11.3671 13.1825 13.1854 13.4437 13.4458 16.2424 16.2432 16.5376 16.5421 k = 0.2396 0.1383-0.0000 ( 2948 PWs) bands (ev): -13.3987 -13.3986 -11.9937 -11.9931 -11.7542 -11.7539 -9.7837 -9.7832 -9.2843 -9.2837 -8.7433 -8.7430 -0.1759 -0.1744 0.0789 0.0801 0.2921 0.2931 1.7814 1.7823 2.2564 2.2614 2.4781 2.4790 3.3751 3.3765 3.6563 3.6570 3.9216 3.9283 4.7031 4.7045 4.9940 4.9950 5.5993 5.6031 5.9657 5.9717 6.4046 6.4147 6.9723 6.9752 7.4277 7.4292 8.0586 8.0601 8.5160 8.5179 11.4281 11.4288 13.1818 13.1847 13.4499 13.4521 16.2419 16.2427 16.5589 16.5635 k = 0.2500 0.1443-0.0000 ( 2946 PWs) bands (ev): -13.3678 -13.3677 -11.9826 -11.9820 -11.7224 -11.7221 -9.8485 -9.8480 -9.3278 -9.3272 -8.7539 -8.7536 -0.1959 -0.1945 0.0841 0.0852 0.3067 0.3074 1.8228 1.8232 2.2489 2.2548 2.5468 2.5477 3.3619 3.3632 3.6573 3.6577 3.9061 3.9127 4.6861 4.6873 4.9974 4.9985 5.6233 5.6273 5.9402 5.9463 6.4254 6.4358 6.9100 6.9130 7.4452 7.4467 8.0167 8.0186 8.5224 8.5243 11.4879 11.4887 13.1811 13.1840 13.4557 13.4580 16.2419 16.2429 16.5818 16.5863 k = 0.2604 0.1504-0.0000 ( 2938 PWs) bands (ev): -13.3362 -13.3360 -11.9711 -11.9705 -11.6894 -11.6891 -9.9143 -9.9138 -9.3733 -9.3727 -8.7637 -8.7634 -0.2159 -0.2145 0.0885 0.0896 0.3224 0.3232 1.8562 1.8573 2.2318 2.2386 2.6356 2.6366 3.3491 3.3503 3.6590 3.6594 3.8896 3.8962 4.6697 4.6707 5.0005 5.0018 5.6465 5.6508 5.9136 5.9197 6.4451 6.4557 6.8519 6.8551 7.4608 7.4625 7.9724 7.9746 8.5287 8.5306 11.5458 11.5466 13.1800 13.1831 13.4613 13.4636 16.2424 16.2436 16.6064 16.6107 k = 0.2708 0.1564-0.0000 ( 2942 PWs) bands (ev): -13.3038 -13.3037 -11.9590 -11.9583 -11.6552 -11.6549 -9.9808 -9.9803 -9.4205 -9.4200 -8.7727 -8.7724 -0.2358 -0.2344 0.0922 0.0932 0.3391 0.3399 1.8785 1.8804 2.2208 2.2282 2.7323 2.7335 3.3369 3.3381 3.6613 3.6615 3.8724 3.8788 4.6542 4.6550 5.0032 5.0047 5.6684 5.6728 5.8861 5.8921 6.4625 6.4733 6.7993 6.8026 7.4743 7.4760 7.9257 7.9284 8.5348 8.5368 11.6018 11.6027 13.1784 13.1815 13.4667 13.4691 16.2433 16.2449 16.6330 16.6369 k = 0.2812 0.1624-0.0000 ( 2934 PWs) bands (ev): -13.2709 -13.2707 -11.9463 -11.9456 -11.6198 -11.6195 -10.0480 -10.0474 -9.4694 -9.4688 -8.7810 -8.7807 -0.2554 -0.2540 0.0952 0.0963 0.3564 0.3573 1.8869 1.8894 2.2228 2.2307 2.8323 2.8338 3.3257 3.3267 3.6636 3.6637 3.8546 3.8609 4.6403 4.6409 5.0057 5.0074 5.6878 5.6924 5.8584 5.8642 6.4766 6.4872 6.7542 6.7574 7.4850 7.4869 7.8770 7.8802 8.5409 8.5429 11.6560 11.6570 13.1759 13.1791 13.4722 13.4745 16.2446 16.2466 16.6619 16.6652 k = 0.2917 0.1684-0.0000 ( 2932 PWs) bands (ev): -13.2375 -13.2374 -11.9331 -11.9323 -11.5832 -11.5829 -10.1156 -10.1150 -9.5197 -9.5191 -8.7887 -8.7884 -0.2746 -0.2733 0.0977 0.0987 0.3740 0.3751 1.8812 1.8840 2.2396 2.2475 2.9335 2.9353 3.3160 3.3171 3.6653 3.6655 3.8364 3.8426 4.6283 4.6288 5.0079 5.0098 5.7034 5.7078 5.8317 5.8369 6.4856 6.4956 6.7190 6.7216 7.4927 7.4948 7.8266 7.8303 8.5468 8.5487 11.7084 11.7094 13.1723 13.1754 13.4776 13.4801 16.2463 16.2487 16.6931 16.6958 k = 0.3021 0.1744-0.0000 ( 2936 PWs) bands (ev): -13.2038 -13.2036 -11.9191 -11.9183 -11.5455 -11.5452 -10.1836 -10.1830 -9.5712 -9.5706 -8.7959 -8.7956 -0.2933 -0.2920 0.0997 0.1007 0.3918 0.3930 1.8648 1.8674 2.2685 2.2761 3.0334 3.0356 3.3093 3.3106 3.6660 3.6664 3.8182 3.8242 4.6188 4.6192 5.0100 5.0120 5.7120 5.7155 5.8088 5.8127 6.4877 6.4963 6.6962 6.6975 7.4968 7.4991 7.7749 7.7792 8.5524 8.5543 11.7591 11.7602 13.1672 13.1704 13.4833 13.4857 16.2482 16.2510 16.7268 16.7286 k = 0.3125 0.1804-0.0000 ( 2942 PWs) bands (ev): -13.1699 -13.1697 -11.9044 -11.9036 -11.5067 -11.5063 -10.2518 -10.2512 -9.6238 -9.6232 -8.8025 -8.8022 -0.3115 -0.3103 0.1014 0.1024 0.4096 0.4108 1.8417 1.8440 2.3056 2.3127 3.1265 3.1296 3.3102 3.3122 3.6651 3.6657 3.8000 3.8058 4.6123 4.6128 5.0118 5.0140 5.7085 5.7109 5.7940 5.7961 6.4828 6.4895 6.6856 6.6865 7.4964 7.4988 7.7229 7.7279 8.5579 8.5597 11.8082 11.8094 13.1605 13.1638 13.4891 13.4915 16.2502 16.2534 16.7631 16.7639 k = 0.3229 0.1864-0.0000 ( 2938 PWs) bands (ev): -13.1359 -13.1357 -11.8889 -11.8881 -11.4668 -11.4664 -10.3200 -10.3194 -9.6773 -9.6768 -8.8086 -8.8083 -0.3291 -0.3280 0.1027 0.1037 0.4271 0.4284 1.8151 1.8171 2.3478 2.3542 3.1962 3.2000 3.3354 3.3382 3.6622 3.6630 3.7820 3.7876 4.6093 4.6101 5.0136 5.0159 5.6896 5.6933 5.7866 5.7901 6.4735 6.4782 6.6842 6.6870 7.4900 7.4926 7.6724 7.6780 8.5631 8.5649 11.8558 11.8572 13.1521 13.1554 13.4951 13.4975 16.2523 16.2558 16.8015 16.8018 k = 0.3333 0.1925-0.0000 ( 2938 PWs) bands (ev): -13.1021 -13.1019 -11.8725 -11.8717 -11.4258 -11.4254 -10.3882 -10.3876 -9.7317 -9.7311 -8.8143 -8.8140 -0.3461 -0.3450 0.1038 0.1047 0.4441 0.4455 1.7872 1.7889 2.3928 2.3988 3.2237 3.2267 3.4044 3.4067 3.6568 3.6577 3.7645 3.7699 4.6105 4.6114 5.0152 5.0177 5.6617 5.6665 5.7829 5.7877 6.4635 6.4669 6.6894 6.6939 7.4753 7.4778 7.6263 7.6324 8.5680 8.5698 11.9021 11.9034 13.1420 13.1454 13.5011 13.5035 16.2545 16.2583 16.8414 16.8429 k = 0.3438 0.1985-0.0000 ( 2940 PWs) bands (ev): -13.0686 -13.0684 -11.8551 -11.8542 -11.3838 -11.3833 -10.4562 -10.4555 -9.7867 -9.7862 -8.8195 -8.8193 -0.3624 -0.3614 0.1046 0.1055 0.4607 0.4621 1.7591 1.7606 2.4397 2.4451 3.2276 3.2297 3.4964 3.4987 3.6487 3.6497 3.7475 3.7528 4.6161 4.6173 5.0167 5.0194 5.6298 5.6351 5.7780 5.7835 6.4557 6.4585 6.6983 6.7041 7.4490 7.4510 7.5885 7.5944 8.5727 8.5744 11.9469 11.9484 13.1302 13.1336 13.5072 13.5095 16.2567 16.2608 16.8833 16.8861 k = 0.3542 0.2045-0.0000 ( 2946 PWs) bands (ev): -13.0356 -13.0354 -11.8367 -11.8357 -11.3407 -11.3403 -10.5238 -10.5231 -9.8423 -9.8418 -8.8244 -8.8242 -0.3780 -0.3770 0.1052 0.1060 0.4766 0.4780 1.7318 1.7331 2.4875 2.4924 3.2244 3.2261 3.5918 3.5956 3.6380 3.6393 3.7321 3.7379 4.6265 4.6279 5.0181 5.0209 5.5961 5.6015 5.7699 5.7756 6.4520 6.4547 6.7086 6.7155 7.4103 7.4120 7.5603 7.5654 8.5771 8.5787 11.9905 11.9921 13.1168 13.1202 13.5131 13.5154 16.2589 16.2632 16.9271 16.9312 k = 0.3646 0.2105-0.0000 ( 2946 PWs) bands (ev): -13.0034 -13.0032 -11.8170 -11.8160 -11.2967 -11.2962 -10.5909 -10.5902 -9.8984 -9.8978 -8.8289 -8.8287 -0.3927 -0.3918 0.1056 0.1064 0.4917 0.4931 1.7056 1.7068 2.5358 2.5402 3.2192 3.2206 3.6239 3.6253 3.6711 3.6792 3.7317 3.7406 4.6418 4.6435 5.0194 5.0224 5.5615 5.5670 5.7581 5.7636 6.4525 6.4553 6.7190 6.7268 7.3624 7.3649 7.5386 7.5429 8.5813 8.5828 12.0329 12.0345 13.1018 13.1052 13.5189 13.5210 16.2612 16.2655 16.9723 16.9777 k = 0.3750 0.2165-0.0000 ( 2950 PWs) bands (ev): -12.9721 -12.9719 -11.7960 -11.7950 -11.2517 -11.2512 -10.6573 -10.6566 -9.9548 -9.9542 -8.8330 -8.8328 -0.4066 -0.4058 0.1059 0.1066 0.5060 0.5074 1.6811 1.6821 2.5844 2.5884 3.2135 3.2146 3.6081 3.6099 3.6795 3.6852 3.8070 3.8117 4.6621 4.6640 5.0205 5.0236 5.5268 5.5321 5.7428 5.7480 6.4566 6.4593 6.7288 6.7372 7.3104 7.3141 7.5196 7.5233 8.5851 8.5865 12.0739 12.0756 13.0856 13.0889 13.5243 13.5263 16.2634 16.2678 17.0186 17.0254 k = 0.3854 0.2225-0.0000 ( 2956 PWs) bands (ev): -12.9420 -12.9418 -11.7736 -11.7726 -11.2058 -11.2053 -10.7230 -10.7222 -10.0114 -10.0109 -8.8367 -8.8366 -0.4196 -0.4188 0.1061 0.1067 0.5194 0.5207 1.6582 1.6591 2.6331 2.6366 3.2078 3.2088 3.5896 3.5919 3.6642 3.6690 3.9016 3.9046 4.6870 4.6892 5.0213 5.0246 5.4924 5.4975 5.7249 5.7296 6.4626 6.4652 6.7377 6.7466 7.2583 7.2631 7.5011 7.5044 8.5886 8.5899 12.1137 12.1154 13.0682 13.0715 13.5293 13.5311 16.2657 16.2699 17.0657 17.0738 k = 0.3958 0.2285-0.0000 ( 2956 PWs) bands (ev): -12.9134 -12.9132 -11.7496 -11.7486 -11.1591 -11.1586 -10.7876 -10.7868 -10.0682 -10.0676 -8.8401 -8.8400 -0.4317 -0.4309 0.1061 0.1067 0.5317 0.5330 1.6372 1.6380 2.6817 2.6847 3.2024 3.2033 3.5686 3.5713 3.6464 3.6509 3.9949 3.9974 4.7163 4.7187 5.0217 5.0251 5.4587 5.4635 5.7053 5.7095 6.4681 6.4706 6.7459 6.7549 7.2089 7.2145 7.4820 7.4851 8.5918 8.5931 12.1520 12.1538 13.0500 13.0532 13.5338 13.5355 16.2679 16.2721 17.1132 17.1225 k = 0.4062 0.2345-0.0000 ( 2958 PWs) bands (ev): -12.8865 -12.8863 -11.7240 -11.7229 -11.1117 -11.1112 -10.8509 -10.8502 -10.1250 -10.1244 -8.8432 -8.8431 -0.4427 -0.4421 0.1061 0.1066 0.5431 0.5443 1.6181 1.6188 2.7301 2.7327 3.1975 3.1982 3.5447 3.5477 3.6287 3.6330 4.0847 4.0870 4.7494 4.7519 5.0214 5.0249 5.4262 5.4306 5.6852 5.6889 6.4703 6.4729 6.7540 6.7628 7.1642 7.1705 7.4620 7.4649 8.5948 8.5959 12.1888 12.1905 13.0311 13.0343 13.5377 13.5393 16.2701 16.2740 17.1608 17.1712 k = 0.4167 0.2406-0.0000 ( 2958 PWs) bands (ev): -12.8616 -12.8614 -11.6966 -11.6956 -11.0638 -11.0632 -10.9127 -10.9120 -10.1817 -10.1811 -8.8460 -8.8459 -0.4527 -0.4521 0.1060 0.1065 0.5534 0.5545 1.6011 1.6017 2.7781 2.7803 3.1931 3.1937 3.5178 3.5211 3.6123 3.6164 4.1698 4.1719 4.7856 4.7880 5.0203 5.0238 5.3953 5.3993 5.6655 5.6688 6.4665 6.4692 6.7632 6.7716 7.1259 7.1324 7.4412 7.4439 8.5974 8.5984 12.2238 12.2255 13.0121 13.0151 13.5412 13.5426 16.2723 16.2759 17.2081 17.2195 k = 0.4271 0.2466-0.0000 ( 2954 PWs) bands (ev): -12.8389 -12.8388 -11.6675 -11.6664 -11.0174 -11.0165 -10.9706 -10.9702 -10.2381 -10.2376 -8.8484 -8.8483 -0.4616 -0.4611 0.1059 0.1063 0.5625 0.5635 1.5860 1.5865 2.8255 2.8274 3.1892 3.1898 3.4880 3.4914 3.5977 3.6014 4.2493 4.2512 4.8237 4.8258 5.0181 5.0213 5.3666 5.3701 5.6472 5.6503 6.4546 6.4577 6.7749 6.7824 7.0947 7.1012 7.4198 7.4224 8.5998 8.6006 12.2567 12.2584 12.9931 12.9960 13.5441 13.5454 16.2743 16.2776 17.2549 17.2672 k = 0.4375 0.2526-0.0000 ( 2954 PWs) bands (ev): -12.8188 -12.8186 -11.6366 -11.6355 -11.0354 -11.0342 -10.9617 -10.9614 -10.2943 -10.2938 -8.8505 -8.8504 -0.4694 -0.4690 0.1057 0.1061 0.5705 0.5714 1.5730 1.5734 2.8722 2.8738 3.1859 3.1864 3.4559 3.4591 3.5852 3.5884 4.3223 4.3239 4.8625 4.8640 5.0145 5.0172 5.3406 5.3436 5.6313 5.6342 6.4344 6.4380 6.7896 6.7961 7.0705 7.0766 7.3984 7.4007 8.6018 8.6026 12.2871 12.2888 12.9747 12.9774 13.5465 13.5476 16.2763 16.2792 17.3008 17.3138 k = 0.4479 0.2586-0.0000 ( 2956 PWs) bands (ev): -12.8013 -12.8011 -11.6041 -11.6031 -11.0905 -11.0895 -10.9130 -10.9126 -10.3499 -10.3493 -8.8522 -8.8522 -0.4761 -0.4757 0.1055 0.1058 0.5773 0.5781 1.5620 1.5623 2.9177 2.9190 3.1832 3.1835 3.4221 3.4251 3.5747 3.5773 4.3877 4.3891 4.9001 4.9004 5.0098 5.0112 5.3179 5.3204 5.6184 5.6214 6.4078 6.4115 6.8068 6.8123 7.0523 7.0577 7.3775 7.3796 8.6035 8.6042 12.3146 12.3161 12.9575 12.9598 13.5484 13.5494 16.2780 16.2805 17.3455 17.3589 k = 0.4583 0.2646-0.0000 ( 2956 PWs) bands (ev): -12.7866 -12.7865 -11.5705 -11.5694 -11.1437 -11.1428 -10.8633 -10.8628 -10.4045 -10.4040 -8.8537 -8.8536 -0.4816 -0.4813 0.1054 0.1056 0.5830 0.5836 1.5530 1.5532 2.9614 2.9625 3.1809 3.1812 3.3876 3.3903 3.5661 3.5683 4.4447 4.4458 4.9324 4.9347 5.0035 5.0047 5.2990 5.3009 5.6091 5.6120 6.3780 6.3815 6.8252 6.8298 7.0389 7.0435 7.3582 7.3600 8.6049 8.6055 12.3386 12.3399 12.9419 12.9439 13.5499 13.5507 16.2796 16.2816 17.3884 17.4019 k = 0.4688 0.2706-0.0000 ( 2964 PWs) bands (ev): -12.7751 -12.7750 -11.5365 -11.5356 -11.1932 -11.1923 -10.8138 -10.8134 -10.4577 -10.4572 -8.8548 -8.8548 -0.4859 -0.4857 0.1053 0.1054 0.5874 0.5878 1.5460 1.5462 3.0020 3.0030 3.1792 3.1794 3.3538 3.3561 3.5596 3.5612 4.4920 4.4928 4.9558 4.9629 4.9959 5.0023 5.2842 5.2856 5.6035 5.6061 6.3489 6.3519 6.8432 6.8469 7.0290 7.0328 7.3414 7.3428 8.6061 8.6065 12.3584 12.3595 12.9288 12.9304 13.5511 13.5516 16.2809 16.2824 17.4286 17.4416 k = 0.4792 0.2766-0.0000 ( 2960 PWs) bands (ev): -12.7668 -12.7667 -11.5042 -11.5034 -11.2365 -11.2358 -10.7664 -10.7660 -10.5077 -10.5073 -8.8556 -8.8556 -0.4889 -0.4888 0.1052 0.1053 0.5906 0.5909 1.5410 1.5412 3.0374 3.0382 3.1780 3.1782 3.3233 3.3251 3.5550 3.5561 4.5279 4.5285 4.9656 4.9753 4.9977 5.0068 5.2736 5.2746 5.6009 5.6030 6.3247 6.3268 6.8587 6.8614 7.0222 7.0248 7.3283 7.3293 8.6069 8.6072 12.3733 12.3740 12.9189 12.9200 13.5519 13.5523 16.2819 16.2829 17.4643 17.4758 k = 0.4896 0.2827-0.0000 ( 2964 PWs) bands (ev): -12.7617 -12.7617 -11.4783 -11.4778 -11.2690 -11.2685 -10.7256 -10.7253 -10.5500 -10.5497 -8.8561 -8.8561 -0.4908 -0.4907 0.1051 0.1052 0.5925 0.5927 1.5381 1.5381 3.0633 3.0639 3.1773 3.1774 3.3006 3.3016 3.5524 3.5529 4.5506 4.5510 4.9667 4.9714 5.0094 5.0139 5.2673 5.2678 5.6004 5.6015 6.3087 6.3098 6.8696 6.8710 7.0181 7.0195 7.3200 7.3205 8.6074 8.6076 12.3826 12.3830 12.9127 12.9133 13.5524 13.5526 16.2826 16.2832 17.4923 17.4997 k = 0.5000 0.2887-0.0000 ( 2970 PWs) bands (ev): -12.7600 -12.7600 -11.4674 -11.4674 -11.2817 -11.2817 -10.7064 -10.7064 -10.5694 -10.5694 -8.8562 -8.8562 -0.4914 -0.4914 0.1051 0.1051 0.5932 0.5932 1.5371 1.5371 3.0735 3.0735 3.1771 3.1771 3.2922 3.2922 3.5517 3.5517 4.5586 4.5586 4.9676 4.9676 5.0156 5.0156 5.2654 5.2654 5.6007 5.6007 6.3034 6.3034 6.8740 6.8740 7.0172 7.0172 7.3173 7.3173 8.6076 8.6076 12.3859 12.3859 12.9108 12.9108 13.5526 13.5526 16.2831 16.2831 17.5061 17.5061 k = 0.5000 0.2887-0.0000 ( 2970 PWs) bands (ev): -12.7600 -12.7600 -11.4674 -11.4674 -11.2817 -11.2817 -10.7064 -10.7064 -10.5694 -10.5694 -8.8562 -8.8562 -0.4914 -0.4914 0.1051 0.1051 0.5932 0.5932 1.5371 1.5371 3.0735 3.0735 3.1771 3.1771 3.2922 3.2922 3.5517 3.5517 4.5586 4.5586 4.9676 4.9676 5.0156 5.0156 5.2654 5.2654 5.6007 5.6007 6.3034 6.3034 6.8740 6.8740 7.0172 7.0172 7.3173 7.3173 8.6076 8.6076 12.3859 12.3859 12.9108 12.9108 13.5526 13.5526 16.2831 16.2831 17.5061 17.5061 k = 0.4940 0.2990-0.0000 ( 2974 PWs) bands (ev): -12.7591 -12.7591 -11.4687 -11.4686 -11.2822 -11.2821 -10.7055 -10.7054 -10.5683 -10.5682 -8.8583 -8.8583 -0.4933 -0.4932 0.1079 0.1079 0.5958 0.5959 1.5364 1.5364 3.0715 3.0717 3.1749 3.1750 3.2910 3.2911 3.5516 3.5516 4.5593 4.5599 4.9634 4.9636 5.0185 5.0187 5.2648 5.2648 5.6074 5.6076 6.3010 6.3016 6.8749 6.8756 7.0166 7.0167 7.3162 7.3164 8.6063 8.6064 12.3869 12.3871 12.9111 12.9111 13.5517 13.5519 16.2842 16.2842 17.5061 17.5064 k = 0.4881 0.3093-0.0000 ( 2964 PWs) bands (ev): -12.7565 -12.7564 -11.4724 -11.4722 -11.2836 -11.2835 -10.7025 -10.7023 -10.5649 -10.5647 -8.8645 -8.8644 -0.4988 -0.4988 0.1161 0.1162 0.6037 0.6039 1.5344 1.5345 3.0658 3.0662 3.1686 3.1687 3.2876 3.2879 3.5514 3.5514 4.5622 4.5634 4.9505 4.9508 5.0275 5.0279 5.2648 5.2649 5.6262 5.6267 6.2943 6.2955 6.8785 6.8797 7.0152 7.0154 7.3131 7.3137 8.6024 8.6025 12.3902 12.3905 12.9122 12.9122 13.5492 13.5495 16.2876 16.2877 17.5066 17.5071 k = 0.4821 0.3196-0.0000 ( 2964 PWs) bands (ev): -12.7521 -12.7520 -11.4786 -11.4784 -11.2859 -11.2857 -10.6976 -10.6974 -10.5593 -10.5590 -8.8747 -8.8747 -0.5077 -0.5076 0.1293 0.1293 0.6170 0.6172 1.5310 1.5311 3.0565 3.0571 3.1579 3.1582 3.2824 3.2829 3.5511 3.5511 4.5673 4.5690 4.9279 4.9282 5.0423 5.0430 5.2689 5.2692 5.6540 5.6547 6.2837 6.2854 6.8844 6.8862 7.0130 7.0132 7.3081 7.3090 8.5959 8.5961 12.3956 12.3961 12.9139 12.9140 13.5451 13.5456 16.2934 16.2935 17.5074 17.5082 k = 0.4762 0.3299-0.0000 ( 2960 PWs) bands (ev): -12.7459 -12.7458 -11.4872 -11.4868 -11.2890 -11.2888 -10.6908 -10.6905 -10.5515 -10.5511 -8.8890 -8.8889 -0.5193 -0.5192 0.1466 0.1467 0.6358 0.6361 1.5262 1.5264 3.0436 3.0443 3.1430 3.1435 3.2757 3.2764 3.5510 3.5510 4.5748 4.5770 4.8956 4.8958 5.0626 5.0635 5.2801 5.2805 5.6874 5.6884 6.2693 6.2715 6.8925 6.8948 7.0101 7.0103 7.3013 7.3024 8.5869 8.5871 12.4032 12.4037 12.9163 12.9164 13.5395 13.5400 16.3014 16.3017 17.5084 17.5094 k = 0.4702 0.3402-0.0000 ( 2966 PWs) bands (ev): -12.7379 -12.7379 -11.4980 -11.4975 -11.2929 -11.2926 -10.6821 -10.6817 -10.5417 -10.5411 -8.9071 -8.9071 -0.5331 -0.5330 0.1673 0.1674 0.6603 0.6607 1.5199 1.5201 3.0272 3.0281 3.1242 3.1249 3.2679 3.2689 3.5511 3.5511 4.5849 4.5875 4.8547 4.8548 5.0879 5.0889 5.2993 5.2999 5.7238 5.7249 6.2516 6.2542 6.9024 6.9052 7.0065 7.0067 7.2928 7.2940 8.5754 8.5757 12.4127 12.4134 12.9194 12.9195 13.5322 13.5329 16.3118 16.3121 17.5095 17.5107 k = 0.4643 0.3505-0.0000 ( 2962 PWs) bands (ev): -12.7283 -12.7282 -11.5109 -11.5104 -11.2976 -11.2972 -10.6716 -10.6712 -10.5300 -10.5293 -8.9291 -8.9290 -0.5485 -0.5483 0.1906 0.1908 0.6906 0.6911 1.5121 1.5123 3.0075 3.0086 3.1020 3.1028 3.2590 3.2603 3.5516 3.5516 4.5977 4.6007 4.8069 4.8070 5.1176 5.1187 5.3256 5.3264 5.7613 5.7625 6.2310 6.2339 6.9138 6.9170 7.0025 7.0026 7.2827 7.2840 8.5617 8.5620 12.4242 12.4250 12.9230 12.9232 13.5234 13.5243 16.3245 16.3248 17.5105 17.5120 k = 0.4583 0.3608-0.0000 ( 2960 PWs) bands (ev): -12.7168 -12.7168 -11.5259 -11.5253 -11.3028 -11.3024 -10.6595 -10.6589 -10.5164 -10.5156 -8.9549 -8.9548 -0.5650 -0.5648 0.2158 0.2159 0.7268 0.7274 1.5027 1.5029 2.9848 2.9859 3.0769 3.0779 3.2493 3.2509 3.5527 3.5528 4.6133 4.6166 4.7541 4.7545 5.1512 5.1524 5.3577 5.3588 5.7984 5.7997 6.2078 6.2111 6.9265 6.9300 6.9980 6.9981 7.2712 7.2727 8.5457 8.5460 12.4374 12.4384 12.9273 12.9275 13.5132 13.5142 16.3394 16.3399 17.5112 17.5129 k = 0.4524 0.3712-0.0000 ( 2964 PWs) bands (ev): -12.7037 -12.7036 -11.5427 -11.5421 -11.3087 -11.3082 -10.6456 -10.6450 -10.5012 -10.5003 -8.9842 -8.9840 -0.5821 -0.5819 0.2422 0.2423 0.7689 0.7696 1.4915 1.4917 2.9591 2.9604 3.0497 3.0509 3.2384 3.2404 3.5546 3.5547 4.6317 4.6351 4.6979 4.6986 5.1879 5.1892 5.3942 5.3954 5.8343 5.8357 6.1825 6.1860 6.9400 6.9438 6.9930 6.9932 7.2588 7.2602 8.5275 8.5279 12.4523 12.4534 12.9321 12.9323 13.5016 13.5027 16.3567 16.3573 17.5113 17.5132 k = 0.4464 0.3815-0.0000 ( 2960 PWs) bands (ev): -12.6888 -12.6887 -11.5613 -11.5606 -11.3150 -11.3145 -10.6303 -10.6296 -10.4844 -10.4835 -9.0169 -9.0167 -0.5996 -0.5994 0.2694 0.2696 0.8168 0.8175 1.4784 1.4787 2.9309 2.9323 3.0213 3.0226 3.2265 3.2288 3.5574 3.5575 4.6388 4.6389 4.6536 4.6583 5.2274 5.2287 5.4336 5.4349 5.8684 5.8699 6.1555 6.1591 6.9542 6.9582 6.9875 6.9879 7.2458 7.2472 8.5074 8.5079 12.4686 12.4698 12.9373 12.9376 13.4886 13.4899 16.3763 16.3770 17.5105 17.5126 k = 0.4405 0.3918-0.0000 ( 2968 PWs) bands (ev): -12.6723 -12.6721 -11.5815 -11.5808 -11.3217 -11.3213 -10.6134 -10.6127 -10.4663 -10.4653 -9.0529 -9.0527 -0.6170 -0.6168 0.2973 0.2974 0.8704 0.8711 1.4635 1.4638 2.9004 2.9019 2.9922 2.9937 3.2131 3.2158 3.5612 3.5614 4.5795 4.5802 4.6773 4.6816 5.2690 5.2703 5.4743 5.4758 5.9005 5.9020 6.1271 6.1308 6.9685 6.9728 6.9814 6.9821 7.2331 7.2343 8.4855 8.4859 12.4863 12.4876 12.9430 12.9432 13.4743 13.4757 16.3982 16.3989 17.5085 17.5108 k = 0.4345 0.4021-0.0000 ( 2970 PWs) bands (ev): -12.6540 -12.6539 -11.6032 -11.6025 -11.3288 -11.3283 -10.5952 -10.5944 -10.4469 -10.4459 -9.0920 -9.0918 -0.6342 -0.6340 0.3255 0.3256 0.9292 0.9299 1.4465 1.4468 2.8679 2.8694 2.9632 2.9649 3.1982 3.2012 3.5661 3.5664 4.5193 4.5203 4.7042 4.7085 5.3122 5.3135 5.5149 5.5165 5.9305 5.9320 6.0977 6.1015 6.9715 6.9733 6.9854 6.9891 7.2214 7.2223 8.4618 8.4623 12.5052 12.5066 12.9490 12.9492 13.4589 13.4604 16.4224 16.4232 17.5051 17.5075 k = 0.4286 0.4124-0.0000 ( 2970 PWs) bands (ev): -12.6341 -12.6340 -11.6264 -11.6256 -11.3362 -11.3357 -10.5756 -10.5748 -10.4264 -10.4253 -9.1339 -9.1337 -0.6511 -0.6509 0.3541 0.3542 0.9929 0.9937 1.4275 1.4278 2.8337 2.8353 2.9349 2.9367 3.1815 3.1849 3.5722 3.5726 4.4591 4.4604 4.7337 4.7381 5.3564 5.3576 5.5540 5.5557 5.9589 5.9604 6.0677 6.0716 6.9615 6.9635 7.0004 7.0045 7.2117 7.2125 8.4366 8.4370 12.5251 12.5266 12.9552 12.9554 13.4424 13.4441 16.4489 16.4498 17.4998 17.5025 k = 0.4226 0.4227-0.0000 ( 2970 PWs) bands (ev): -12.6126 -12.6124 -11.6508 -11.6500 -11.3437 -11.3432 -10.5548 -10.5539 -10.4048 -10.4037 -9.1786 -9.1784 -0.6674 -0.6672 0.3831 0.3832 1.0612 1.0620 1.4063 1.4067 2.7981 2.7998 2.9077 2.9096 3.1628 3.1665 3.5796 3.5800 4.3997 4.4012 4.7658 4.7702 5.4010 5.4022 5.5900 5.5918 5.9860 5.9874 6.0379 6.0417 6.9479 6.9502 7.0159 7.0201 7.2052 7.2058 8.4099 8.4104 12.5460 12.5475 12.9616 12.9618 13.4249 13.4267 16.4776 16.4786 17.4926 17.4954 k = 0.4167 0.4330-0.0000 ( 2970 PWs) bands (ev): -12.5894 -12.5892 -11.6765 -11.6756 -11.3514 -11.3509 -10.5327 -10.5319 -10.3824 -10.3812 -9.2258 -9.2256 -0.6830 -0.6828 0.4126 0.4127 1.1336 1.1344 1.3831 1.3834 2.7615 2.7632 2.8820 2.8840 3.1419 3.1459 3.5881 3.5886 4.3414 4.3432 4.8002 4.8048 5.4454 5.4466 5.6215 5.6232 6.0054 6.0080 6.0170 6.0171 6.9303 6.9329 7.0317 7.0359 7.2027 7.2031 8.3821 8.3826 12.5675 12.5692 12.9679 12.9682 13.4067 13.4085 16.5085 16.5096 17.4831 17.4860 k = 0.4107 0.4433-0.0000 ( 2966 PWs) bands (ev): -12.5647 -12.5645 -11.7032 -11.7024 -11.3592 -11.3587 -10.5095 -10.5086 -10.3591 -10.3579 -9.2753 -9.2751 -0.6979 -0.6978 0.4426 0.4426 1.2096 1.2103 1.3577 1.3581 2.7241 2.7260 2.8581 2.8602 3.1186 3.1230 3.5979 3.5985 4.2848 4.2867 4.8370 4.8415 5.4886 5.4897 5.6470 5.6487 5.9791 5.9830 6.0410 6.0423 6.9083 6.9112 7.0475 7.0518 7.2044 7.2048 8.3532 8.3537 12.5897 12.5914 12.9742 12.9744 13.3877 13.3896 16.5416 16.5429 17.4713 17.4743 k = 0.4048 0.4536-0.0000 ( 2966 PWs) bands (ev): -12.5384 -12.5382 -11.7311 -11.7303 -11.3670 -11.3665 -10.4853 -10.4843 -10.3352 -10.3339 -9.3269 -9.3266 -0.7120 -0.7118 0.4732 0.4732 1.2887 1.2894 1.3303 1.3307 2.6864 2.6882 2.8361 2.8383 3.0928 3.0975 3.6089 3.6096 4.2302 4.2323 4.8759 4.8804 5.5295 5.5306 5.6656 5.6672 5.9533 5.9572 6.0693 6.0705 6.8821 6.8850 7.0635 7.0677 7.2102 7.2107 8.3235 8.3240 12.6124 12.6142 12.9801 12.9803 13.3682 13.3703 16.5769 16.5783 17.4573 17.4604 k = 0.3988 0.4639-0.0000 ( 2970 PWs) bands (ev): -12.5107 -12.5104 -11.7600 -11.7591 -11.3748 -11.3743 -10.4599 -10.4590 -10.3106 -10.3093 -9.3803 -9.3801 -0.7252 -0.7250 0.5045 0.5045 1.3008 1.3012 1.3707 1.3713 2.6485 2.6504 2.8161 2.8184 3.0644 3.0694 3.6211 3.6218 4.1780 4.1803 4.9167 4.9212 5.5663 5.5673 5.6767 5.6782 5.9316 5.9353 6.0990 6.1000 6.8519 6.8548 7.0796 7.0837 7.2196 7.2202 8.2933 8.2938 12.6355 12.6373 12.9854 12.9856 13.3485 13.3506 16.6143 16.6158 17.4411 17.4442 k = 0.3929 0.4743-0.0000 ( 2958 PWs) bands (ev): -12.4815 -12.4812 -11.7898 -11.7890 -11.3824 -11.3819 -10.4336 -10.4327 -10.2856 -10.2843 -9.4354 -9.4351 -0.7374 -0.7373 0.5364 0.5365 1.2696 1.2700 1.4546 1.4552 2.6108 2.6128 2.7980 2.8003 3.0333 3.0386 3.6344 3.6352 4.1286 4.1310 4.9595 4.9640 5.5965 5.5976 5.6804 5.6817 5.9165 5.9200 6.1297 6.1306 6.8185 6.8212 7.0958 7.0998 7.2316 7.2324 8.2628 8.2633 12.6590 12.6608 12.9899 12.9902 13.3288 13.3309 16.6538 16.6554 17.4230 17.4261 k = 0.3869 0.4846-0.0000 ( 2962 PWs) bands (ev): -12.4509 -12.4506 -11.8205 -11.8197 -11.3899 -11.3895 -10.4063 -10.4054 -10.2602 -10.2588 -9.4919 -9.4916 -0.7486 -0.7485 0.5692 0.5692 1.2366 1.2370 1.5402 1.5408 2.5737 2.5757 2.7815 2.7839 2.9998 3.0053 3.6487 3.6496 4.0821 4.0845 5.0040 5.0084 5.6171 5.6183 5.6770 5.6782 5.9110 5.9141 6.1606 6.1614 6.7824 6.7849 7.1121 7.1160 7.2454 7.2464 8.2323 8.2328 12.6827 12.6846 12.9933 12.9936 13.3094 13.3115 16.6952 16.6971 17.4031 17.4063 k = 0.3810 0.4949-0.0000 ( 2958 PWs) bands (ev): -12.4190 -12.4187 -11.8521 -11.8512 -11.3972 -11.3967 -10.3781 -10.3772 -10.2345 -10.2331 -9.5496 -9.5492 -0.7588 -0.7587 0.6026 0.6028 1.2022 1.2026 1.6267 1.6273 2.5376 2.5397 2.7660 2.7686 2.9644 2.9700 3.6640 3.6650 4.0387 4.0413 5.0501 5.0544 5.6259 5.6272 5.6675 5.6684 5.9176 5.9202 6.1907 6.1914 6.7446 6.7468 7.1286 7.1324 7.2598 7.2612 8.2024 8.2029 12.7066 12.7085 12.9951 12.9954 13.2908 13.2928 16.7386 16.7406 17.3819 17.3851 k = 0.3750 0.5052-0.0000 ( 2958 PWs) bands (ev): -12.3859 -12.3855 -11.8844 -11.8836 -11.4041 -11.4037 -10.3491 -10.3481 -10.2087 -10.2073 -9.6080 -9.6076 -0.7679 -0.7678 0.6369 0.6371 1.1665 1.1669 1.7135 1.7140 2.5031 2.5053 2.7508 2.7532 2.9279 2.9336 3.6801 3.6812 3.9987 4.0012 5.0977 5.1018 5.6231 5.6246 5.6524 5.6533 5.9360 5.9381 6.2186 6.2193 6.7059 6.7078 7.1454 7.1491 7.2739 7.2755 8.1736 8.1741 12.7307 12.7327 12.9948 12.9953 13.2734 13.2753 16.7838 16.7860 17.3596 17.3629 k = 0.3690 0.5155-0.0000 ( 2954 PWs) bands (ev): -12.3516 -12.3512 -11.9176 -11.9168 -11.4106 -11.4103 -10.3191 -10.3182 -10.1832 -10.1817 -9.6669 -9.6665 -0.7758 -0.7757 0.6720 0.6721 1.1296 1.1300 1.7996 1.7999 2.4710 2.4733 2.7339 2.7362 2.8921 2.8976 3.6970 3.6982 3.9619 3.9644 5.1466 5.1506 5.6115 5.6130 5.6328 5.6335 5.9635 5.9652 6.2428 6.2435 6.6675 6.6690 7.1625 7.1660 7.2866 7.2885 8.1464 8.1469 12.7549 12.7569 12.9920 12.9926 13.2577 13.2595 16.8307 16.8331 17.3356 17.3398 k = 0.3631 0.5258-0.0000 ( 2958 PWs) bands (ev): -12.3163 -12.3159 -11.9515 -11.9507 -11.4167 -11.4164 -10.2884 -10.2874 -10.1582 -10.1567 -9.7257 -9.7252 -0.7826 -0.7826 0.7078 0.7080 1.0919 1.0922 1.8833 1.8835 2.4425 2.4449 2.7128 2.7144 2.8599 2.8648 3.7144 3.7157 3.9284 3.9308 5.1966 5.2004 5.5945 5.5959 5.6092 5.6099 5.9971 5.9984 6.2614 6.2621 6.6311 6.6322 7.1800 7.1833 7.2967 7.2989 8.1216 8.1221 12.7792 12.7813 12.9859 12.9868 13.2443 13.2459 16.8792 16.8818 17.3050 17.3101 k = 0.3571 0.5361-0.0000 ( 2954 PWs) bands (ev): -12.2801 -12.2796 -11.9861 -11.9853 -11.4221 -11.4218 -10.2569 -10.2559 -10.1347 -10.1331 -9.7835 -9.7830 -0.7882 -0.7882 0.7443 0.7445 1.0534 1.0538 1.9624 1.9624 2.4199 2.4225 2.6843 2.6848 2.8346 2.8384 3.7323 3.7337 3.8981 3.9004 5.2476 5.2512 5.5747 5.5754 5.5823 5.5835 6.0343 6.0352 6.2718 6.2726 6.5988 6.5996 7.1978 7.2009 7.3032 7.3055 8.1000 8.1005 12.8036 12.8057 12.9764 12.9775 13.2336 13.2348 16.9290 16.9319 17.2701 17.2749 k = 0.3512 0.5464-0.0000 ( 2956 PWs) bands (ev): -12.2433 -12.2427 -12.0213 -12.0206 -11.4266 -11.4264 -10.2247 -10.2237 -10.1141 -10.1125 -9.8386 -9.8380 -0.7926 -0.7926 0.7815 0.7818 1.0145 1.0148 2.0322 2.0324 2.4073 2.4101 2.6458 2.6465 2.8177 2.8202 3.7505 3.7519 3.8709 3.8730 5.2993 5.3025 5.5503 5.5515 5.5555 5.5582 6.0735 6.0740 6.2713 6.2722 6.5733 6.5737 7.2161 7.2190 7.3050 7.3075 8.0824 8.0828 12.8281 12.8302 12.9630 12.9644 13.2256 13.2266 16.9798 16.9830 17.2343 17.2390 k = 0.3452 0.5567-0.0000 ( 2956 PWs) bands (ev): -12.2059 -12.2053 -12.0572 -12.0565 -11.4302 -11.4301 -10.1917 -10.1907 -10.1003 -10.0987 -9.8872 -9.8866 -0.7957 -0.7957 0.8194 0.8196 0.9753 0.9756 2.0862 2.0865 2.4112 2.4142 2.5987 2.6003 2.8081 2.8094 3.7689 3.7704 3.8465 3.8484 5.3512 5.3541 5.5189 5.5199 5.5354 5.5375 6.1137 6.1139 6.2579 6.2588 6.5565 6.5566 7.2349 7.2375 7.3011 7.3038 8.0694 8.0697 12.8527 12.8549 12.9460 12.9477 13.2205 13.2211 17.0310 17.0347 17.1980 17.2027 k = 0.3393 0.5670-0.0000 ( 2964 PWs) bands (ev): -12.1683 -12.1677 -12.0937 -12.0930 -11.4326 -11.4325 -10.1581 -10.1571 -10.1007 -10.0993 -9.9212 -9.9208 -0.7976 -0.7976 0.8578 0.8581 0.9360 0.9363 2.1175 2.1178 2.4385 2.4413 2.5456 2.5480 2.8035 2.8041 3.7873 3.7888 3.8248 3.8265 5.4021 5.4045 5.4848 5.4857 5.5186 5.5199 6.1543 6.1544 6.2318 6.2325 6.5481 6.5481 7.2541 7.2563 7.2910 7.2940 8.0616 8.0617 12.8772 12.8795 12.9256 12.9275 13.2178 13.2181 17.0808 17.0853 17.1616 17.1662 k = 0.3333 0.5774-0.0000 ( 2952 PWs) bands (ev): -12.1313 -12.1303 -12.1303 -12.1299 -11.4334 -11.4334 -10.1240 -10.1235 -10.1235 -10.1221 -9.9324 -9.9324 -0.7983 -0.7983 0.8965 0.8965 0.8970 0.8976 2.1266 2.1266 2.4872 2.4872 2.4896 2.4949 2.8025 2.8025 3.8046 3.8065 3.8065 3.8076 5.4429 5.4449 5.4537 5.4537 5.5099 5.5099 6.1937 6.1946 6.1966 6.1966 6.5459 6.5459 7.2715 7.2715 7.2767 7.2816 8.0591 8.0591 12.8998 12.9042 12.9042 12.9043 13.2171 13.2171 17.1191 17.1293 17.1303 17.1303 k = 0.3333 0.5774-0.0000 ( 2952 PWs) bands (ev): -12.1313 -12.1303 -12.1303 -12.1299 -11.4334 -11.4334 -10.1240 -10.1235 -10.1235 -10.1221 -9.9324 -9.9324 -0.7983 -0.7983 0.8965 0.8965 0.8970 0.8976 2.1266 2.1266 2.4872 2.4872 2.4896 2.4949 2.8025 2.8025 3.8046 3.8065 3.8065 3.8076 5.4429 5.4449 5.4537 5.4537 5.5099 5.5099 6.1937 6.1946 6.1966 6.1966 6.5459 6.5459 7.2715 7.2715 7.2767 7.2816 8.0591 8.0591 12.8998 12.9042 12.9042 12.9043 13.2171 13.2171 17.1191 17.1293 17.1303 17.1303 k = 0.3273 0.5669-0.0000 ( 2958 PWs) bands (ev): -12.1691 -12.1685 -12.0931 -12.0923 -11.4324 -11.4323 -10.1672 -10.1666 -10.0882 -10.0872 -9.9241 -9.9237 -0.7976 -0.7976 0.8570 0.8573 0.9368 0.9371 2.1201 2.1205 2.4271 2.4299 2.5546 2.5570 2.8034 2.8038 3.7883 3.7896 3.8239 3.8254 5.4092 5.4106 5.4667 5.4681 5.5297 5.5318 6.1499 6.1500 6.2370 6.2377 6.5472 6.5472 7.2503 7.2523 7.2950 7.2977 8.0616 8.0617 12.8754 12.8779 12.9273 12.9295 13.2176 13.2179 17.0871 17.0928 17.1474 17.1521 k = 0.3212 0.5564-0.0000 ( 2958 PWs) bands (ev): -12.2080 -12.2073 -12.0564 -12.0555 -11.4290 -11.4288 -10.2212 -10.2208 -10.0521 -10.0511 -9.9051 -9.9044 -0.7956 -0.7956 0.8176 0.8179 0.9772 0.9776 2.1056 2.1062 2.3635 2.3664 2.6284 2.6305 2.8061 2.8068 3.7733 3.7744 3.8418 3.8433 5.3691 5.3707 5.4615 5.4628 5.5764 5.5784 6.0990 6.0993 6.2792 6.2803 6.5496 6.5498 7.2206 7.2228 7.3162 7.3184 8.0688 8.0692 12.8465 12.8492 12.9525 12.9548 13.2195 13.2200 17.0505 17.0561 17.1445 17.1483 k = 0.3152 0.5459-0.0000 ( 2958 PWs) bands (ev): -12.2473 -12.2467 -12.0212 -12.0203 -11.4227 -11.4224 -10.2798 -10.2796 -10.0153 -10.0143 -9.8811 -9.8803 -0.7923 -0.7923 0.7788 0.7791 1.0179 1.0182 2.0875 2.0883 2.2982 2.3012 2.7052 2.7070 2.8100 2.8110 3.7604 3.7612 3.8593 3.8608 5.3275 5.3293 5.4551 5.4561 5.6274 5.6289 6.0441 6.0448 6.3220 6.3235 6.5515 6.5519 7.1855 7.1877 7.3379 7.3399 8.0802 8.0808 12.8157 12.8185 12.9777 12.9801 13.2221 13.2229 17.0141 17.0197 17.1334 17.1365 k = 0.3091 0.5354-0.0000 ( 2954 PWs) bands (ev): -12.2871 -12.2865 -11.9882 -11.9872 -11.4127 -11.4124 -10.3404 -10.3404 -9.9781 -9.9771 -9.8546 -9.8537 -0.7877 -0.7877 0.7406 0.7409 1.0586 1.0590 2.0682 2.0691 2.2316 2.2347 2.7821 2.7836 2.8150 2.8161 3.7493 3.7499 3.8765 3.8779 5.2844 5.2864 5.4514 5.4520 5.6782 5.6792 5.9867 5.9878 6.3658 6.3677 6.5519 6.5524 7.1460 7.1481 7.3601 7.3619 8.0948 8.0956 12.7832 12.7861 13.0029 13.0053 13.2253 13.2262 16.9782 16.9839 17.1209 17.1235 k = 0.3030 0.5249-0.0000 ( 2948 PWs) bands (ev): -12.3274 -12.3268 -11.9580 -11.9569 -11.3986 -11.3982 -10.4020 -10.4020 -9.9403 -9.9393 -9.8268 -9.8259 -0.7818 -0.7817 0.7031 0.7034 1.0994 1.0998 2.0489 2.0500 2.1642 2.1673 2.8201 2.8215 2.8579 2.8594 3.7400 3.7404 3.8933 3.8946 5.2399 5.2420 5.4513 5.4515 5.7276 5.7282 5.9276 5.9290 6.4109 6.4131 6.5499 6.5505 7.1032 7.1051 7.3827 7.3843 8.1119 8.1129 12.7491 12.7521 13.0280 13.0305 13.2288 13.2299 16.9426 16.9484 17.1088 17.1111 k = 0.2970 0.5144-0.0000 ( 2944 PWs) bands (ev): -12.3680 -12.3674 -11.9313 -11.9301 -11.3798 -11.3792 -10.4638 -10.4637 -9.9020 -9.9011 -9.7983 -9.7973 -0.7745 -0.7745 0.6664 0.6667 1.1401 1.1405 2.0304 2.0316 2.0961 2.0992 2.8259 2.8274 2.9310 2.9322 3.7322 3.7324 3.9101 3.9112 5.1938 5.1962 5.4551 5.4553 5.7750 5.7751 5.8672 5.8691 6.4577 6.4602 6.5450 6.5458 7.0580 7.0598 7.4056 7.4070 8.1308 8.1320 12.7138 12.7168 13.0530 13.0556 13.2324 13.2337 16.9075 16.9134 17.0977 17.0998 k = 0.2909 0.5039-0.0000 ( 2944 PWs) bands (ev): -12.4089 -12.4084 -11.9085 -11.9073 -11.3557 -11.3551 -10.5255 -10.5254 -9.8634 -9.8624 -9.7692 -9.7683 -0.7660 -0.7660 0.6306 0.6309 1.1805 1.1809 2.0130 2.0144 2.0278 2.0308 2.8317 2.8334 3.0009 3.0018 3.7258 3.7258 3.9269 3.9279 5.1461 5.1487 5.4631 5.4636 5.8063 5.8085 5.8195 5.8199 6.5064 6.5090 6.5368 6.5380 7.0116 7.0133 7.4287 7.4299 8.1508 8.1522 12.6771 12.6802 13.0779 13.0805 13.2360 13.2375 16.8729 16.8788 17.0879 17.0898 k = 0.2848 0.4934-0.0000 ( 2940 PWs) bands (ev): -12.4501 -12.4496 -11.8899 -11.8886 -11.3262 -11.3255 -10.5867 -10.5866 -9.8243 -9.8233 -9.7400 -9.7390 -0.7562 -0.7562 0.5958 0.5961 1.2206 1.2210 1.9591 1.9620 1.9973 1.9989 2.8375 2.8394 3.0668 3.0674 3.7204 3.7206 3.9443 3.9452 5.0967 5.0994 5.4754 5.4763 5.7453 5.7478 5.8609 5.8618 6.5248 6.5255 6.5575 6.5610 6.9652 6.9667 7.4520 7.4531 8.1714 8.1730 12.6394 12.6424 13.1025 13.1052 13.2395 13.2411 16.8386 16.8446 17.0795 17.0811 k = 0.2788 0.4829-0.0000 ( 2940 PWs) bands (ev): -12.4916 -12.4911 -11.8754 -11.8742 -11.2913 -11.2906 -10.6475 -10.6473 -9.7849 -9.7839 -9.7106 -9.7096 -0.7453 -0.7452 0.5619 0.5622 1.2601 1.2605 1.8905 1.8934 1.9832 1.9849 2.8432 2.8451 3.1281 3.1284 3.7161 3.7165 3.9627 3.9633 5.0454 5.0482 5.4920 5.4934 5.6845 5.6874 5.8992 5.9005 6.5087 6.5098 6.6109 6.6145 6.9196 6.9210 7.4753 7.4763 8.1921 8.1939 12.6005 12.6036 13.1268 13.1297 13.2427 13.2444 16.8045 16.8106 17.0722 17.0736 k = 0.2727 0.4724-0.0000 ( 2940 PWs) bands (ev): -12.5333 -12.5328 -11.8649 -11.8637 -11.2512 -11.2505 -10.7075 -10.7074 -9.7451 -9.7442 -9.6812 -9.6802 -0.7331 -0.7331 0.5291 0.5294 1.2990 1.2993 1.8221 1.8249 1.9708 1.9727 2.8485 2.8506 3.1845 3.1846 3.7126 3.7131 3.9824 3.9828 4.9919 4.9949 5.5129 5.5146 5.6245 5.6278 5.9343 5.9360 6.4881 6.4894 6.6668 6.6705 6.8760 6.8772 7.4986 7.4995 8.2127 8.2146 12.5606 12.5637 13.1508 13.1537 13.2457 13.2475 16.7707 16.7767 17.0662 17.0674 k = 0.2667 0.4619-0.0000 ( 2938 PWs) bands (ev): -12.5752 -12.5747 -11.8580 -11.8567 -11.2065 -11.2058 -10.7668 -10.7666 -9.7051 -9.7042 -9.6519 -9.6509 -0.7197 -0.7197 0.4973 0.4976 1.3370 1.3373 1.7540 1.7567 1.9603 1.9623 2.8535 2.8557 3.2353 3.2357 3.7097 3.7104 4.0040 4.0041 4.9362 4.9392 5.5372 5.5395 5.5663 5.5700 5.9663 5.9682 6.4629 6.4644 6.7248 6.7286 6.8350 6.8360 7.5219 7.5227 8.2327 8.2348 12.5198 12.5228 13.1743 13.1773 13.2483 13.2502 16.7368 16.7429 17.0612 17.0621 k = 0.2606 0.4514-0.0000 ( 2942 PWs) bands (ev): -12.6171 -12.6167 -11.8542 -11.8529 -11.1576 -11.1569 -10.8251 -10.8250 -9.6649 -9.6640 -9.6226 -9.6217 -0.7053 -0.7053 0.4666 0.4669 1.3742 1.3744 1.6863 1.6890 1.9516 1.9539 2.8582 2.8604 3.2807 3.2815 3.7071 3.7078 4.0277 4.0277 4.8781 4.8811 5.5080 5.5112 5.5680 5.5699 5.9952 5.9975 6.4330 6.4346 6.7843 6.7879 6.7976 6.7987 7.5450 7.5458 8.2520 8.2542 12.4780 12.4810 13.1973 13.2003 13.2505 13.2525 16.7029 16.7089 17.0569 17.0577 k = 0.2545 0.4409-0.0000 ( 2946 PWs) bands (ev): -12.6591 -12.6587 -11.8529 -11.8518 -11.1051 -11.1044 -10.8826 -10.8824 -9.6245 -9.6236 -9.5936 -9.5926 -0.6897 -0.6897 0.4370 0.4373 1.4103 1.4104 1.6192 1.6218 1.9447 1.9472 2.8623 2.8646 3.3206 3.3218 3.7044 3.7052 4.0537 4.0539 4.8176 4.8205 5.4530 5.4566 5.6003 5.6025 6.0216 6.0240 6.3988 6.4005 6.7624 6.7632 6.8463 6.8500 7.5681 7.5688 8.2704 8.2728 12.4353 12.4382 13.2197 13.2228 13.2523 13.2544 16.6687 16.6747 17.0533 17.0538 k = 0.2485 0.4304-0.0000 ( 2946 PWs) bands (ev): -12.7011 -12.7007 -11.8539 -11.8528 -11.0493 -11.0487 -10.9390 -10.9387 -9.5839 -9.5831 -9.5648 -9.5638 -0.6732 -0.6731 0.4084 0.4087 1.4451 1.4452 1.5527 1.5553 1.9396 1.9424 2.8660 2.8684 3.3555 3.3571 3.7012 3.7020 4.0822 4.0826 4.7547 4.7575 5.4004 5.4040 5.6360 5.6384 6.0457 6.0483 6.3610 6.3627 6.7312 6.7318 6.9084 6.9120 7.5910 7.5918 8.2878 8.2903 12.3917 12.3946 13.2414 13.2445 13.2537 13.2557 16.6343 16.6401 17.0499 17.0503 k = 0.2424 0.4199-0.0000 ( 2954 PWs) bands (ev): -12.7430 -12.7426 -11.8567 -11.8556 -10.9944 -10.9941 -10.9909 -10.9902 -9.5433 -9.5424 -9.5362 -9.5352 -0.6556 -0.6556 0.3809 0.3812 1.4784 1.4787 1.4873 1.4896 1.9364 1.9394 2.8691 2.8716 3.3858 3.3878 3.6970 3.6978 4.1130 4.1136 4.6898 4.6925 5.3504 5.3541 5.6746 5.6771 6.0682 6.0709 6.3202 6.3220 6.7027 6.7032 6.9707 6.9742 7.6140 7.6148 8.3041 8.3067 12.3473 12.3501 13.2543 13.2565 13.2623 13.2656 16.5994 16.6050 17.0465 17.0467 k = 0.2364 0.4094-0.0000 ( 2952 PWs) bands (ev): -12.7848 -12.7845 -11.8609 -11.8599 -11.0485 -11.0483 -10.9302 -10.9296 -9.5080 -9.5070 -9.5025 -9.5017 -0.6371 -0.6370 0.3545 0.3548 1.4221 1.4247 1.5106 1.5107 1.9348 1.9382 2.8717 2.8742 3.4122 3.4146 3.6911 3.6918 4.1460 4.1467 4.6234 4.6257 5.3035 5.3071 5.7154 5.7180 6.0897 6.0924 6.2774 6.2792 6.6764 6.6769 7.0324 7.0357 7.6371 7.6380 8.3192 8.3219 12.3021 12.3048 13.2546 13.2568 13.2824 13.2856 16.5641 16.5695 17.0428 17.0428 k = 0.2303 0.3989-0.0000 ( 2944 PWs) bands (ev): -12.8264 -12.8261 -11.8664 -11.8654 -11.1016 -11.1013 -10.8674 -10.8668 -9.4800 -9.4791 -9.4619 -9.4611 -0.6177 -0.6176 0.3291 0.3294 1.3582 1.3607 1.5407 1.5409 1.9351 1.9388 2.8736 2.8763 3.4354 3.4381 3.6827 3.6834 4.1808 4.1814 4.5561 4.5582 5.2597 5.2632 5.7578 5.7603 6.1109 6.1135 6.2335 6.2351 6.6519 6.6524 7.0926 7.0957 7.6607 7.6617 8.3330 8.3359 12.2561 12.2587 13.2543 13.2565 13.3015 13.3048 16.5284 16.5336 17.0383 17.0385 k = 0.2242 0.3884-0.0000 ( 2956 PWs) bands (ev): -12.8678 -12.8675 -11.8728 -11.8718 -11.1534 -11.1532 -10.8029 -10.8024 -9.4524 -9.4515 -9.4212 -9.4204 -0.5975 -0.5973 0.3047 0.3050 1.2953 1.2978 1.5688 1.5690 1.9374 1.9413 2.8749 2.8776 3.4562 3.4593 3.6711 3.6716 4.2167 4.2173 4.4891 4.4907 5.2191 5.2226 5.8010 5.8031 6.1327 6.1349 6.1892 6.1904 6.6288 6.6292 7.1504 7.1533 7.6849 7.6861 8.3456 8.3486 12.2092 12.2117 13.2534 13.2556 13.3196 13.3229 16.4926 16.4974 17.0328 17.0331 k = 0.2182 0.3779-0.0000 ( 2954 PWs) bands (ev): -12.9089 -12.9086 -11.8800 -11.8791 -11.2041 -11.2038 -10.7370 -10.7365 -9.4253 -9.4244 -9.3807 -9.3799 -0.5764 -0.5762 0.2813 0.2816 1.2335 1.2359 1.5944 1.5947 1.9419 1.9460 2.8752 2.8780 3.4755 3.4789 3.6553 3.6556 4.2535 4.2541 4.4234 4.4246 5.1818 5.1852 5.8438 5.8456 6.1417 6.1448 6.1573 6.1611 6.6066 6.6070 7.2050 7.2075 7.7102 7.7116 8.3570 8.3601 12.1616 12.1640 13.2519 13.2541 13.3365 13.3399 16.4569 16.4614 17.0258 17.0263 k = 0.2121 0.3674-0.0000 ( 2954 PWs) bands (ev): -12.9497 -12.9494 -11.8879 -11.8870 -11.2535 -11.2532 -10.6698 -10.6693 -9.3986 -9.3977 -9.3403 -9.3395 -0.5546 -0.5544 0.2589 0.2592 1.1729 1.1753 1.6169 1.6173 1.9489 1.9533 2.8744 2.8772 3.4938 3.4975 3.6343 3.6344 4.2907 4.2911 4.3606 4.3612 5.1478 5.1510 5.8851 5.8862 6.0990 6.1010 6.1836 6.1859 6.5851 6.5854 7.2551 7.2574 7.7372 7.7388 8.3670 8.3703 12.1132 12.1155 13.2498 13.2520 13.3523 13.3557 16.4216 16.4257 17.0172 17.0178 k = 0.2061 0.3569-0.0000 ( 2954 PWs) bands (ev): -12.9900 -12.9898 -11.8963 -11.8954 -11.3016 -11.3013 -10.6016 -10.6011 -9.3724 -9.3715 -9.3001 -9.2993 -0.5320 -0.5318 0.2374 0.2377 1.1135 1.1159 1.6359 1.6362 1.9592 1.9637 2.8721 2.8750 3.5119 3.5159 3.6071 3.6074 4.3016 4.3021 4.3280 4.3285 5.1171 5.1202 5.9234 5.9236 6.0556 6.0573 6.2151 6.2166 6.5641 6.5644 7.3001 7.3020 7.7661 7.7680 8.3759 8.3793 12.0640 12.0661 13.2471 13.2493 13.3669 13.3703 16.3872 16.3909 17.0066 17.0073 k = 0.2000 0.3464-0.0000 ( 2948 PWs) bands (ev): -13.0299 -13.0297 -11.9051 -11.9042 -11.3484 -11.3482 -10.5325 -10.5321 -9.3466 -9.3458 -9.2602 -9.2594 -0.5088 -0.5085 0.2168 0.2170 1.0554 1.0578 1.6506 1.6507 1.9732 1.9777 2.8677 2.8706 3.5301 3.5343 3.5735 3.5740 4.2484 4.2486 4.3648 4.3650 5.0896 5.0925 5.9564 5.9573 6.0130 6.0146 6.2524 6.2532 6.5434 6.5437 7.3390 7.3406 7.7975 7.7995 8.3837 8.3871 12.0139 12.0159 13.2438 13.2460 13.3802 13.3836 16.3541 16.3574 16.9937 16.9945 k = 0.1939 0.3359-0.0000 ( 2944 PWs) bands (ev): -13.0693 -13.0690 -11.9142 -11.9134 -11.3940 -11.3937 -10.4628 -10.4624 -9.3214 -9.3206 -9.2205 -9.2198 -0.4849 -0.4845 0.1971 0.1973 0.9988 1.0011 1.6604 1.6606 1.9915 1.9959 2.8603 2.8633 3.5334 3.5342 3.5492 3.5537 4.2010 4.2017 4.4010 4.4011 5.0652 5.0680 5.9707 5.9710 5.9863 5.9869 6.2962 6.2962 6.5231 6.5234 7.3715 7.3728 7.8313 7.8336 8.3903 8.3938 11.9629 11.9647 13.2400 13.2422 13.3922 13.3955 16.3226 16.3256 16.9784 16.9792 k = 0.1879 0.3254-0.0000 ( 2948 PWs) bands (ev): -13.1080 -13.1078 -11.9235 -11.9227 -11.4382 -11.4379 -10.3925 -10.3921 -9.2968 -9.2960 -9.1812 -9.1805 -0.4604 -0.4599 0.1782 0.1783 0.9435 0.9459 1.6648 1.6654 2.0143 2.0186 2.8488 2.8519 3.4892 3.4902 3.5686 3.5732 4.1600 4.1611 4.4363 4.4366 5.0440 5.0466 5.9304 5.9314 6.0082 6.0107 6.3457 6.3463 6.5030 6.5032 7.3972 7.3983 7.8675 7.8698 8.3959 8.3994 11.9109 11.9126 13.2358 13.2379 13.4027 13.4060 16.2934 16.2959 16.9604 16.9613 k = 0.1818 0.3149-0.0000 ( 2952 PWs) bands (ev): -13.1461 -13.1459 -11.9330 -11.9323 -11.4811 -11.4808 -10.3220 -10.3216 -9.2727 -9.2720 -9.1424 -9.1417 -0.4353 -0.4348 0.1600 0.1601 0.8899 0.8922 1.6642 1.6651 2.0418 2.0457 2.8317 2.8348 3.4425 3.4438 3.5890 3.5938 4.1250 4.1264 4.4705 4.4711 5.0257 5.0282 5.8909 5.8918 6.0270 6.0304 6.4009 6.4021 6.4831 6.4833 7.4165 7.4175 7.9055 7.9080 8.4004 8.4040 11.8579 11.8595 13.2311 13.2332 13.4118 13.4151 16.2667 16.2689 16.9399 16.9409 k = 0.1758 0.3044-0.0000 ( 2944 PWs) bands (ev): -13.1836 -13.1834 -11.9426 -11.9419 -11.5226 -11.5223 -10.2512 -10.2508 -9.2493 -9.2486 -9.1040 -9.1033 -0.4096 -0.4091 0.1426 0.1426 0.8378 0.8402 1.6586 1.6599 2.0735 2.0772 2.8069 2.8100 3.3966 3.3981 3.6104 3.6154 4.0951 4.0968 4.5037 4.5045 5.0102 5.0127 5.8525 5.8533 6.0423 6.0465 6.4600 6.4603 6.4646 6.4660 7.4297 7.4306 7.9449 7.9473 8.4041 8.4077 11.8038 11.8052 13.2262 13.2283 13.4195 13.4227 16.2429 16.2448 16.9169 16.9179 k = 0.1697 0.2939-0.0000 ( 2942 PWs) bands (ev): -13.2202 -13.2201 -11.9523 -11.9516 -11.5628 -11.5625 -10.1804 -10.1800 -9.2265 -9.2258 -9.0661 -9.0654 -0.3834 -0.3829 0.1258 0.1258 0.7875 0.7900 1.6487 1.6504 2.1093 2.1127 2.7725 2.7756 3.3551 3.3567 3.6327 3.6378 4.0693 4.0712 4.5356 4.5366 4.9975 4.9998 5.8152 5.8158 6.0551 6.0599 6.4439 6.4439 6.5256 6.5274 7.4374 7.4383 7.9848 7.9872 8.4069 8.4106 11.7484 11.7498 13.2211 13.2232 13.4256 13.4288 16.2222 16.2239 16.8915 16.8925 k = 0.1636 0.2834-0.0000 ( 2942 PWs) bands (ev): -13.2561 -13.2559 -11.9619 -11.9613 -11.6016 -11.6013 -10.1097 -10.1094 -9.2043 -9.2036 -9.0288 -9.0282 -0.3568 -0.3561 0.1095 0.1096 0.7390 0.7415 1.6348 1.6368 2.1487 2.1519 2.7271 2.7301 3.3206 3.3224 3.6558 3.6610 4.0467 4.0487 4.5661 4.5674 4.9873 4.9895 5.7789 5.7794 6.0659 6.0712 6.4247 6.4248 6.5931 6.5951 7.4402 7.4412 8.0246 8.0269 8.4089 8.4126 11.6918 11.6930 13.2160 13.2181 13.4303 13.4335 16.2049 16.2063 16.8640 16.8649 k = 0.1576 0.2729-0.0000 ( 2946 PWs) bands (ev): -13.2911 -13.2910 -11.9716 -11.9710 -11.6390 -11.6388 -10.0394 -10.0390 -9.1828 -9.1822 -8.9921 -8.9915 -0.3296 -0.3289 0.0938 0.0940 0.6924 0.6949 1.6174 1.6197 2.1914 2.1944 2.6702 2.6731 3.2950 3.2969 3.6795 3.6848 4.0263 4.0283 4.5953 4.5968 4.9793 4.9815 5.7437 5.7441 6.0752 6.0809 6.4059 6.4059 6.6633 6.6653 7.4387 7.4398 8.0637 8.0660 8.4102 8.4140 11.6338 11.6349 13.2111 13.2131 13.4335 13.4366 16.1910 16.1921 16.8345 16.8354 k = 0.1515 0.2624-0.0000 ( 2942 PWs) bands (ev): -13.3252 -13.3251 -11.9811 -11.9806 -11.6751 -11.6749 -9.9695 -9.9692 -9.1620 -9.1614 -8.9561 -8.9555 -0.3020 -0.3012 0.0786 0.0788 0.6478 0.6504 1.5970 1.5996 2.2371 2.2399 2.6027 2.6056 3.2783 3.2804 3.7036 3.7090 4.0075 4.0096 4.6229 4.6248 4.9734 4.9755 5.7095 5.7097 6.0834 6.0895 6.3873 6.3873 6.7356 6.7375 7.4336 7.4348 8.1017 8.1039 8.4109 8.4147 11.5743 11.5753 13.2064 13.2085 13.4353 13.4383 16.1805 16.1814 16.8035 16.8043 k = 0.1455 0.2519-0.0000 ( 2938 PWs) bands (ev): -13.3584 -13.3582 -11.9906 -11.9900 -11.7098 -11.7096 -9.9002 -9.8999 -9.1420 -9.1413 -8.9209 -8.9203 -0.2740 -0.2731 0.0637 0.0640 0.6053 0.6081 1.5740 1.5768 2.2855 2.2881 2.5265 2.5292 3.2698 3.2720 3.7280 3.7334 3.9898 3.9919 4.6490 4.6511 4.9692 4.9712 5.6763 5.6764 6.0907 6.0972 6.3691 6.3692 6.8095 6.8114 7.4253 7.4267 8.1382 8.1403 8.4110 8.4148 11.5134 11.5143 13.2022 13.2043 13.4356 13.4385 16.1734 16.1741 16.7712 16.7720 k = 0.1394 0.2414-0.0000 ( 2936 PWs) bands (ev): -13.3905 -13.3904 -11.9999 -11.9993 -11.7431 -11.7429 -9.8317 -9.8314 -9.1226 -9.1220 -8.8864 -8.8859 -0.2455 -0.2446 0.0492 0.0496 0.5651 0.5679 1.5486 1.5516 2.3364 2.3388 2.4435 2.4462 3.2681 3.2705 3.7523 3.7577 3.9729 3.9750 4.6735 4.6759 4.9664 4.9684 5.6441 5.6441 6.0974 6.1041 6.3514 6.3515 6.8845 6.8863 7.4146 7.4161 8.1729 8.1749 8.4107 8.4145 11.4509 11.4517 13.1987 13.2008 13.4346 13.4373 16.1694 16.1699 16.7380 16.7387 k = 0.1333 0.2309-0.0000 ( 2940 PWs) bands (ev): -13.4216 -13.4215 -12.0090 -12.0085 -11.7751 -11.7749 -9.7643 -9.7640 -9.1040 -9.1034 -8.8528 -8.8523 -0.2167 -0.2157 0.0348 0.0354 0.5273 0.5302 1.5213 1.5244 2.3552 2.3576 2.3903 2.3925 3.2720 3.2745 3.7763 3.7817 3.9566 3.9587 4.6964 4.6990 4.9647 4.9666 5.6128 5.6130 6.1035 6.1105 6.3342 6.3343 6.9602 6.9617 7.4020 7.4038 8.2057 8.2075 8.4099 8.4137 11.3868 11.3875 13.1959 13.1980 13.4322 13.4348 16.1683 16.1687 16.7042 16.7049 k = 0.1273 0.2204-0.0000 ( 2936 PWs) bands (ev): -13.4516 -13.4515 -12.0179 -12.0174 -11.8056 -11.8054 -9.6980 -9.6977 -9.0861 -9.0856 -8.8201 -8.8196 -0.1875 -0.1865 0.0206 0.0213 0.4920 0.4951 1.4922 1.4955 2.2645 2.2670 2.4451 2.4474 3.2805 3.2831 3.7998 3.8052 3.9408 3.9428 4.7175 4.7203 4.9637 4.9656 5.5826 5.5829 6.1091 6.1163 6.3176 6.3177 7.0355 7.0368 7.3886 7.3907 8.2365 8.2381 8.4089 8.4126 11.3211 11.3218 13.1939 13.1961 13.4285 13.4310 16.1699 16.1702 16.6702 16.6709 k = 0.1212 0.2099-0.0000 ( 2938 PWs) bands (ev): -13.4805 -13.4804 -12.0266 -12.0261 -11.8347 -11.8345 -9.6330 -9.6328 -9.0690 -9.0685 -8.7884 -8.7879 -0.1580 -0.1569 0.0065 0.0072 0.4595 0.4626 1.4617 1.4650 2.1718 2.1742 2.5023 2.5045 3.2924 3.2951 3.8225 3.8278 3.9254 3.9274 4.7368 4.7398 4.9631 4.9649 5.5535 5.5539 6.1142 6.1217 6.3015 6.3017 7.1088 7.1097 7.3763 7.3789 8.2651 8.2666 8.4076 8.4112 11.2540 11.2546 13.1930 13.1951 13.4236 13.4260 16.1737 16.1739 16.6363 16.6369 k = 0.1152 0.1994-0.0000 ( 2940 PWs) bands (ev): -13.5082 -13.5082 -12.0350 -12.0346 -11.8625 -11.8623 -9.5696 -9.5694 -9.0527 -9.0522 -8.7576 -8.7572 -0.1282 -0.1270 -0.0077 -0.0068 0.4297 0.4330 1.4299 1.4333 2.0783 2.0806 2.5612 2.5633 3.3074 3.3101 3.8442 3.8494 3.9105 3.9124 4.7542 4.7574 4.9623 4.9641 5.5257 5.5263 6.1190 6.1266 6.2862 6.2864 7.1758 7.1762 7.3696 7.3727 8.2916 8.2929 8.4060 8.4096 11.1855 11.1860 13.1930 13.1952 13.4177 13.4200 16.1794 16.1795 16.6028 16.6033 k = 0.1091 0.1890-0.0000 ( 2936 PWs) bands (ev): -13.5348 -13.5347 -12.0431 -12.0427 -11.8888 -11.8886 -9.5079 -9.5077 -9.0372 -9.0367 -8.7279 -8.7275 -0.0981 -0.0968 -0.0220 -0.0210 0.4028 0.4062 1.3971 1.4005 1.9849 1.9872 2.6217 2.6238 3.3246 3.3274 3.8646 3.8696 3.8961 3.8979 4.7696 4.7730 4.9611 4.9628 5.4994 5.5001 6.1234 6.1311 6.2716 6.2718 7.2252 7.2254 7.3797 7.3834 8.3159 8.3171 8.4043 8.4078 11.1157 11.1162 13.1942 13.1964 13.4108 13.4130 16.1866 16.1866 16.5700 16.5705 k = 0.1030 0.1785-0.0000 ( 2928 PWs) bands (ev): -13.5600 -13.5600 -12.0509 -12.0506 -11.9137 -11.9136 -9.4482 -9.4480 -9.0225 -9.0221 -8.6993 -8.6989 -0.0678 -0.0665 -0.0365 -0.0353 0.3791 0.3826 1.3635 1.3669 1.8923 1.8946 2.6835 2.6856 3.3437 3.3466 3.8813 3.8826 3.8849 3.8894 4.7830 4.7865 4.9590 4.9607 5.4748 5.4755 6.1274 6.1351 6.2577 6.2580 7.2438 7.2439 7.4206 7.4241 8.3383 8.3393 8.4025 8.4059 11.0449 11.0452 13.1964 13.1986 13.4030 13.4051 16.1947 16.1947 16.5381 16.5385 k = 0.0970 0.1680-0.0000 ( 2922 PWs) bands (ev): -13.5840 -13.5840 -12.0584 -12.0581 -11.9373 -11.9371 -9.3906 -9.3904 -9.0086 -9.0082 -8.6719 -8.6715 -0.0511 -0.0499 -0.0373 -0.0358 0.3584 0.3620 1.3293 1.3327 1.8012 1.8035 2.7465 2.7485 3.3643 3.3673 3.8687 3.8707 3.9008 3.9059 4.7943 4.7979 4.9556 4.9573 5.4519 5.4527 6.1309 6.1387 6.2447 6.2450 7.2393 7.2398 7.4842 7.4872 8.3586 8.3595 8.4006 8.4039 10.9731 10.9735 13.1996 13.2018 13.3945 13.3965 16.2034 16.2034 16.5072 16.5076 k = 0.0909 0.1575-0.0000 ( 2920 PWs) bands (ev): -13.6067 -13.6067 -12.0656 -12.0652 -11.9594 -11.9592 -9.3353 -9.3351 -8.9955 -8.9951 -8.6457 -8.6453 -0.0658 -0.0645 -0.0066 -0.0052 0.3410 0.3447 1.2946 1.2980 1.7121 1.7143 2.8103 2.8124 3.3860 3.3890 3.8564 3.8583 3.9160 3.9210 4.8035 4.8071 4.9507 4.9523 5.4311 5.4320 6.1341 6.1418 6.2324 6.2327 7.2255 7.2263 7.5569 7.5594 8.3770 8.3778 8.3987 8.4019 10.9008 10.9011 13.2038 13.2059 13.3855 13.3873 16.2121 16.2122 16.4777 16.4780 k = 0.0848 0.1470-0.0000 ( 2920 PWs) bands (ev): -13.6281 -13.6280 -12.0723 -12.0720 -11.9801 -11.9799 -9.2826 -9.2824 -8.9832 -8.9828 -8.6207 -8.6204 -0.0806 -0.0793 0.0240 0.0255 0.3267 0.3304 1.2597 1.2631 1.6254 1.6276 2.8749 2.8769 3.4084 3.4114 3.8450 3.8468 3.9291 3.9339 4.8105 4.8141 4.9439 4.9455 5.4126 5.4134 6.1368 6.1443 6.2211 6.2214 7.2084 7.2095 7.6327 7.6350 8.3934 8.3940 8.3969 8.4001 10.8281 10.8283 13.2088 13.2110 13.3760 13.3777 16.2206 16.2207 16.4496 16.4499 k = 0.0788 0.1365-0.0000 ( 2920 PWs) bands (ev): -13.6481 -13.6480 -12.0787 -12.0784 -11.9993 -11.9992 -9.2326 -9.2324 -8.9718 -8.9714 -8.5970 -8.5967 -0.0954 -0.0940 0.0547 0.0562 0.3155 0.3193 1.2248 1.2281 1.5416 1.5438 2.9398 2.9419 3.4311 3.4341 3.8346 3.8363 3.9399 3.9446 4.8153 4.8189 4.9352 4.9368 5.3963 5.3972 6.1391 6.1464 6.2105 6.2109 7.1903 7.1915 7.7093 7.7114 8.3949 8.3976 8.4084 8.4092 10.7555 10.7557 13.2146 13.2167 13.3663 13.3678 16.2285 16.2286 16.4231 16.4233 k = 0.0727 0.1260-0.0000 ( 2924 PWs) bands (ev): -13.6667 -13.6667 -12.0847 -12.0844 -12.0172 -12.0171 -9.1855 -9.1853 -8.9611 -8.9608 -8.5748 -8.5745 -0.1100 -0.1086 0.0852 0.0868 0.3074 0.3111 1.1900 1.1932 1.4610 1.4632 3.0049 3.0070 3.4538 3.4567 3.8254 3.8271 3.9481 3.9527 4.8181 4.8216 4.9244 4.9260 5.3825 5.3834 6.1410 6.1481 6.2009 6.2012 7.1723 7.1737 7.7857 7.7875 8.3932 8.3958 8.4216 8.4221 10.6833 10.6834 13.2210 13.2230 13.3564 13.3579 16.2356 16.2356 16.3983 16.3985 k = 0.0667 0.1155-0.0000 ( 2928 PWs) bands (ev): -13.6839 -13.6839 -12.0902 -12.0900 -12.0336 -12.0335 -9.1415 -9.1414 -8.9514 -8.9511 -8.5539 -8.5536 -0.1242 -0.1229 0.1154 0.1170 0.3021 0.3057 1.1556 1.1587 1.3841 1.3862 3.0699 3.0720 3.4760 3.4789 3.8177 3.8193 3.9536 3.9580 4.8189 4.8223 4.9118 4.9133 5.3710 5.3719 6.1426 6.1492 6.1921 6.1924 7.1551 7.1565 7.8608 7.8625 8.3915 8.3940 8.4332 8.4336 10.6120 10.6121 13.2278 13.2298 13.3467 13.3479 16.2415 16.2415 16.3752 16.3754 k = 0.0606 0.1050-0.0000 ( 2934 PWs) bands (ev): -13.6997 -13.6997 -12.0953 -12.0951 -12.0487 -12.0486 -9.1008 -9.1006 -8.9424 -8.9422 -8.5345 -8.5343 -0.1380 -0.1367 0.1452 0.1468 0.2995 0.3030 1.1217 1.1248 1.3112 1.3133 3.1343 3.1364 3.4974 3.5002 3.8114 3.8130 3.9562 3.9605 4.8179 4.8211 4.8976 4.8990 5.3617 5.3625 6.1438 6.1500 6.1841 6.1845 7.1390 7.1403 7.9342 7.9358 8.3900 8.3922 8.4434 8.4437 10.5422 10.5423 13.2349 13.2368 13.3371 13.3382 16.2462 16.2462 16.3541 16.3542 k = 0.0545 0.0945-0.0000 ( 2942 PWs) bands (ev): -13.7141 -13.7140 -12.1000 -12.0998 -12.0623 -12.0622 -9.0634 -9.0633 -8.9343 -8.9341 -8.5167 -8.5165 -0.1511 -0.1499 0.1743 0.1760 0.2993 0.3027 1.0888 1.0917 1.2427 1.2447 3.1979 3.2000 3.5174 3.5200 3.8069 3.8083 3.9557 3.9598 4.8153 4.8183 4.8821 4.8835 5.3544 5.3552 6.1447 6.1504 6.1770 6.1774 7.1242 7.1255 8.0050 8.0065 8.3886 8.3906 8.4522 8.4524 10.4745 10.4746 13.2421 13.2439 13.3279 13.3289 16.2497 16.2498 16.3348 16.3349 k = 0.0485 0.0840-0.0000 ( 2949 PWs) bands (ev): -13.7269 -13.7269 -12.1042 -12.1041 -12.0744 -12.0744 -9.0297 -9.0296 -8.9271 -8.9269 -8.5005 -8.5003 -0.1633 -0.1622 0.2025 0.2042 0.3013 0.3046 1.0571 1.0599 1.1789 1.1809 3.2601 3.2623 3.5356 3.5381 3.8041 3.8055 3.9520 3.9559 4.8115 4.8142 4.8660 4.8673 5.3489 5.3496 6.1454 6.1505 6.1707 6.1712 7.1109 7.1122 8.0727 8.0741 8.3873 8.3891 8.4598 8.4599 10.4097 10.4097 13.2492 13.2509 13.3192 13.3201 16.2521 16.2522 16.3175 16.3176 k = 0.0424 0.0735-0.0000 ( 2957 PWs) bands (ev): -13.7383 -13.7383 -12.1080 -12.1078 -12.0852 -12.0851 -8.9996 -8.9995 -8.9207 -8.9205 -8.4860 -8.4858 -0.1744 -0.1734 0.2295 0.2311 0.3051 0.3082 1.0269 1.0295 1.1205 1.1224 3.3205 3.3228 3.5517 3.5540 3.8032 3.8043 3.9450 3.9488 4.8068 4.8092 4.8497 4.8509 5.3447 5.3454 6.1458 6.1503 6.1652 6.1658 7.0992 7.1004 8.1363 8.1376 8.3862 8.3878 8.4662 8.4662 10.3485 10.3486 13.2560 13.2575 13.3112 13.3120 16.2534 16.2536 16.3022 16.3022 k = 0.0364 0.0630-0.0000 ( 2961 PWs) bands (ev): -13.7482 -13.7482 -12.1112 -12.1111 -12.0945 -12.0944 -8.9734 -8.9733 -8.9152 -8.9150 -8.4732 -8.4730 -0.1844 -0.1836 0.2549 0.2564 0.3104 0.3132 0.9988 1.0011 1.0677 1.0695 3.3786 3.3808 3.5655 3.5675 3.8039 3.8048 3.9347 3.9384 4.8015 4.8036 4.8339 4.8350 5.3418 5.3423 6.1462 6.1499 6.1606 6.1612 7.0892 7.0902 8.1949 8.1961 8.3853 8.3866 8.4713 8.4714 10.2920 10.2920 13.2624 13.2637 13.3039 13.3046 16.2540 16.2541 16.2889 16.2889 k = 0.0303 0.0525-0.0000 ( 2957 PWs) bands (ev): -13.7566 -13.7566 -12.1140 -12.1139 -12.1024 -12.1023 -8.9510 -8.9510 -8.9105 -8.9103 -8.4622 -8.4621 -0.1931 -0.1924 0.2781 0.2795 0.3166 0.3191 0.9732 0.9753 1.0213 1.0229 3.4334 3.4356 3.5767 3.5784 3.8059 3.8067 3.9215 3.9249 4.7961 4.7979 4.8192 4.8202 5.3397 5.3402 6.1464 6.1494 6.1566 6.1574 7.0808 7.0817 8.2475 8.2487 8.3846 8.3857 8.4754 8.4756 10.2412 10.2412 13.2682 13.2693 13.2976 13.2982 16.2539 16.2541 16.2776 16.2777 k = 0.0242 0.0420-0.0000 ( 2957 PWs) bands (ev): -13.7635 -13.7635 -12.1162 -12.1162 -12.1088 -12.1088 -8.9326 -8.9326 -8.9066 -8.9065 -8.4532 -8.4531 -0.2004 -0.1997 0.2986 0.2998 0.3231 0.3253 0.9508 0.9526 0.9819 0.9833 3.4840 3.4861 3.5855 3.5868 3.8088 3.8094 3.9059 3.9089 4.7911 4.7926 4.8062 4.8070 5.3383 5.3387 6.1467 6.1488 6.1535 6.1544 7.0740 7.0747 8.2929 8.2940 8.3842 8.3850 8.4785 8.4788 10.1973 10.1973 13.2731 13.2740 13.2923 13.2928 16.2534 16.2536 16.2684 16.2684 k = 0.0182 0.0315-0.0000 ( 2961 PWs) bands (ev): -13.7689 -13.7689 -12.1180 -12.1180 -12.1138 -12.1138 -8.9183 -8.9182 -8.9036 -8.9035 -8.4460 -8.4459 -0.2061 -0.2056 0.3156 0.3166 0.3294 0.3311 0.9323 0.9336 0.9503 0.9514 3.5288 3.5307 3.5919 3.5929 3.8119 3.8123 3.8889 3.8915 4.7867 4.7878 4.7954 4.7961 5.3375 5.3378 6.1468 6.1480 6.1511 6.1522 7.0688 7.0693 8.3298 8.3308 8.3843 8.3848 8.4806 8.4809 10.1615 10.1615 13.2771 13.2778 13.2881 13.2885 16.2528 16.2529 16.2613 16.2613 k = 0.0121 0.0210-0.0000 ( 2957 PWs) bands (ev): -13.7727 -13.7727 -12.1193 -12.1192 -12.1174 -12.1174 -8.9080 -8.9080 -8.9015 -8.9014 -8.4409 -8.4408 -0.2102 -0.2099 0.3285 0.3292 0.3347 0.3358 0.9182 0.9190 0.9274 0.9280 3.5655 3.5670 3.5964 3.5970 3.8147 3.8150 3.8726 3.8747 4.7834 4.7842 4.7874 4.7878 5.3370 5.3372 6.1469 6.1473 6.1496 6.1506 7.0651 7.0655 8.3566 8.3575 8.3852 8.3854 8.4818 8.4821 10.1349 10.1349 13.2801 13.2806 13.2851 13.2853 16.2520 16.2521 16.2564 16.2564 k = 0.0061 0.0105-0.0000 ( 2953 PWs) bands (ev): -13.7750 -13.7750 -12.1200 -12.1200 -12.1196 -12.1195 -8.9018 -8.9018 -8.9002 -8.9001 -8.4378 -8.4378 -0.2126 -0.2125 0.3366 0.3369 0.3384 0.3390 0.9088 0.9090 0.9142 0.9143 3.5905 3.5914 3.5991 3.5993 3.8167 3.8168 3.8604 3.8616 4.7814 4.7818 4.7825 4.7827 5.3367 5.3368 6.1468 6.1468 6.1489 6.1497 7.0630 7.0632 8.3710 8.3716 8.3882 8.3882 8.4824 8.4826 10.1185 10.1185 13.2820 13.2822 13.2833 13.2834 16.2512 16.2512 16.2537 16.2538 k = 0.0000 0.0000 0.0000 ( 2949 PWs) bands (ev): -13.7758 -13.7758 -12.1203 -12.1203 -12.1202 -12.1202 -8.8998 -8.8998 -8.8997 -8.8997 -8.4367 -8.4367 -0.2134 -0.2134 0.3391 0.3391 0.3403 0.3403 0.9052 0.9052 0.9101 0.9101 3.5993 3.5993 3.6006 3.6006 3.8174 3.8174 3.8561 3.8561 4.7807 4.7807 4.7810 4.7810 5.3367 5.3367 6.1466 6.1466 6.1491 6.1491 7.0624 7.0624 8.3747 8.3747 8.3906 8.3906 8.4827 8.4827 10.1130 10.1130 13.2827 13.2827 13.2828 13.2828 16.2507 16.2507 16.2531 16.2531 k = 0.0000 0.0000 0.0000 ( 2949 PWs) bands (ev): -13.7758 -13.7758 -12.1203 -12.1203 -12.1202 -12.1202 -8.8998 -8.8998 -8.8997 -8.8997 -8.4367 -8.4367 -0.2134 -0.2134 0.3391 0.3391 0.3403 0.3403 0.9052 0.9052 0.9101 0.9101 3.5993 3.5993 3.6006 3.6006 3.8174 3.8174 3.8561 3.8561 4.7807 4.7807 4.7810 4.7810 5.3367 5.3367 6.1466 6.1466 6.1491 6.1491 7.0624 7.0624 8.3747 8.3747 8.3906 8.3906 8.4827 8.4827 10.1130 10.1130 13.2827 13.2827 13.2828 13.2828 16.2507 16.2507 16.2531 16.2531 k = 0.0000 0.0000 0.0121 ( 2949 PWs) bands (ev): -13.7750 -13.7750 -12.1697 -12.1696 -12.0715 -12.0713 -8.9114 -8.9113 -8.8880 -8.8878 -8.4370 -8.4370 -0.2129 -0.2128 0.2689 0.2698 0.4058 0.4074 0.9003 0.9049 0.9146 0.9198 3.5768 3.5783 3.6227 3.6239 3.8155 3.8157 3.8562 3.8564 4.7755 4.7760 4.7867 4.7869 5.3341 5.3342 6.1074 6.1100 6.1866 6.1889 7.0632 7.0634 8.3294 8.3450 8.4174 8.4335 8.4823 8.4829 10.1154 10.1155 13.1888 13.1888 13.3767 13.3767 16.2006 16.2029 16.3039 16.3064 k = 0.0000 0.0000 0.0242 ( 2949 PWs) bands (ev): -13.7725 -13.7725 -12.2196 -12.2195 -12.0232 -12.0231 -8.9229 -8.9228 -8.8760 -8.8758 -8.4379 -8.4378 -0.2114 -0.2111 0.1973 0.1979 0.4659 0.4682 0.9032 0.9072 0.9266 0.9320 3.5556 3.5572 3.6468 3.6480 3.8103 3.8107 3.8565 3.8569 4.7715 4.7721 4.7933 4.7934 5.3267 5.3269 6.0689 6.0717 6.2273 6.2294 7.0659 7.0664 8.2816 8.2968 8.4572 8.4737 8.4819 8.4829 10.1227 10.1229 13.0951 13.0952 13.4705 13.4706 16.1534 16.1556 16.3603 16.3629 k = 0.0000 0.0000 0.0363 ( 2936 PWs) bands (ev): -13.7685 -13.7685 -12.2698 -12.2696 -11.9758 -11.9756 -8.9341 -8.9340 -8.8639 -8.8637 -8.4393 -8.4392 -0.2087 -0.2083 0.1256 0.1261 0.5151 0.5181 0.9179 0.9211 0.9401 0.9455 3.5358 3.5376 3.6714 3.6724 3.8018 3.8025 3.8569 3.8573 4.7689 4.7697 4.8001 4.8001 5.3144 5.3147 6.0313 6.0343 6.2686 6.2705 7.0704 7.0712 8.2316 8.2465 8.4811 8.4829 8.4944 8.5109 10.1349 10.1351 13.0019 13.0020 13.5641 13.5642 16.1092 16.1113 16.4199 16.4225 k = 0.0000 0.0000 0.0484 ( 2936 PWs) bands (ev): -13.7628 -13.7628 -12.3202 -12.3200 -11.9292 -11.9291 -8.9452 -8.9451 -8.8516 -8.8515 -8.4412 -8.4412 -0.2050 -0.2045 0.0546 0.0551 0.5492 0.5531 0.9482 0.9508 0.9545 0.9596 3.5177 3.5197 3.6960 3.6969 3.7903 3.7912 3.8570 3.8576 4.7683 4.7692 4.8068 4.8069 5.2975 5.2979 5.9945 5.9977 6.3104 6.3122 7.0766 7.0777 8.1795 8.1940 8.4806 8.4828 8.5283 8.5451 10.1518 10.1521 12.9093 12.9093 13.6570 13.6571 16.0678 16.0698 16.4828 16.4855 k = 0.0000 0.0000 0.0605 ( 2936 PWs) bands (ev): -13.7555 -13.7555 -12.3707 -12.3705 -11.8836 -11.8835 -8.9559 -8.9558 -8.8392 -8.8391 -8.4437 -8.4436 -0.2002 -0.1995 -0.0150 -0.0146 0.5668 0.5716 0.9684 0.9738 0.9965 0.9979 3.5014 3.5035 3.7202 3.7210 3.7759 3.7770 3.8567 3.8574 4.7699 4.7709 4.8133 4.8135 5.2764 5.2769 5.9585 5.9620 6.3528 6.3544 7.0844 7.0857 8.1255 8.1397 8.4798 8.4826 8.5591 8.5761 10.1732 10.1736 12.8174 12.8174 13.7492 13.7493 16.0291 16.0310 16.5489 16.5517 k = 0.0000 0.0000 0.0726 ( 2936 PWs) bands (ev): -13.7466 -13.7466 -12.4213 -12.4211 -11.8391 -11.8390 -8.9665 -8.9664 -8.8268 -8.8266 -8.4467 -8.4467 -0.1944 -0.1935 -0.0827 -0.0824 0.5703 0.5756 0.9826 0.9879 1.0592 1.0600 3.4870 3.4892 3.7437 3.7441 3.7589 3.7599 3.8558 3.8566 4.7740 4.7753 4.8194 4.8197 5.2516 5.2522 5.9235 5.9272 6.3955 6.3971 7.0936 7.0951 8.0700 8.0838 8.4791 8.4824 8.5867 8.6039 10.1991 10.1995 12.7263 12.7263 13.8403 13.8404 15.9931 15.9949 16.6184 16.6212 k = 0.0000 0.0000 0.0847 ( 2936 PWs) bands (ev): -13.7361 -13.7361 -12.4718 -12.4716 -11.7959 -11.7958 -8.9767 -8.9766 -8.8142 -8.8141 -8.4503 -8.4502 -0.1874 -0.1864 -0.1484 -0.1481 0.5636 0.5692 0.9964 1.0016 1.1327 1.1332 3.4746 3.4770 3.7380 3.7398 3.7662 3.7672 3.8543 3.8552 4.7812 4.7826 4.8250 4.8254 5.2235 5.2242 5.8893 5.8933 6.4386 6.4400 7.1038 7.1055 8.0132 8.0266 8.4783 8.4823 8.6111 8.6285 10.2291 10.2296 12.6361 12.6361 13.9300 13.9301 15.9596 15.9612 16.6911 16.6940 k = 0.0000 0.0000 0.0968 ( 2936 PWs) bands (ev): -13.7240 -13.7240 -12.5222 -12.5220 -11.7540 -11.7539 -8.9866 -8.9865 -8.8016 -8.8015 -8.4544 -8.4543 -0.2116 -0.2115 -0.1793 -0.1782 0.5500 0.5557 1.0098 1.0148 1.2137 1.2141 3.4642 3.4668 3.7149 3.7168 3.7872 3.7880 3.8518 3.8529 4.7916 4.7932 4.8300 4.8305 5.1928 5.1936 5.8560 5.8602 6.4819 6.4832 7.1149 7.1167 7.9554 7.9683 8.4777 8.4822 8.6322 8.6498 10.2631 10.2637 12.5470 12.5470 14.0180 14.0181 15.9285 15.9300 16.7671 16.7699 k = 0.0000 0.0000 0.1089 ( 2936 PWs) bands (ev): -13.7103 -13.7103 -12.5723 -12.5722 -11.7136 -11.7135 -8.9962 -8.9961 -8.7890 -8.7888 -8.4590 -8.4589 -0.2722 -0.2721 -0.1702 -0.1690 0.5318 0.5376 1.0226 1.0274 1.2999 1.3001 3.4560 3.4587 3.6888 3.6908 3.8065 3.8072 3.8483 3.8495 4.8054 4.8072 4.8342 4.8348 5.1600 5.1609 5.8236 5.8281 6.5253 6.5265 7.1265 7.1285 7.8969 7.9094 8.4772 8.4824 8.6501 8.6678 10.3008 10.3014 12.4589 12.4590 14.1040 14.1042 15.8997 15.9011 16.8080 16.8095 k = 0.0000 0.0000 0.1210 ( 2936 PWs) bands (ev): -13.6951 -13.6950 -12.6222 -12.6221 -11.6749 -11.6748 -9.0054 -9.0053 -8.7763 -8.7761 -8.4642 -8.4641 -0.3300 -0.3299 -0.1601 -0.1587 0.5105 0.5162 1.0347 1.0393 1.3895 1.3897 3.4499 3.4528 3.6597 3.6618 3.8239 3.8245 3.8436 3.8449 4.8229 4.8249 4.8376 4.8382 5.1259 5.1268 5.7921 5.7968 6.5687 6.5699 7.1384 7.1403 7.8381 7.8502 8.4771 8.4829 8.6648 8.6826 10.3419 10.3426 12.3721 12.3722 14.1877 14.1879 15.8732 15.8745 16.8351 16.8369 k = 0.0000 0.0000 0.1331 ( 2936 PWs) bands (ev): -13.6783 -13.6782 -12.6717 -12.6716 -11.6378 -11.6377 -9.0142 -9.0141 -8.7636 -8.7634 -8.4698 -8.4697 -0.3849 -0.3848 -0.1488 -0.1473 0.4870 0.4927 1.0461 1.0505 1.4817 1.4818 3.4460 3.4490 3.6275 3.6297 3.8373 3.8388 3.8392 3.8398 4.8400 4.8408 4.8440 4.8464 5.0912 5.0922 5.7613 5.7663 6.6120 6.6131 7.1500 7.1520 7.7794 7.7909 8.4773 8.4838 8.6763 8.6941 10.3862 10.3869 12.2864 12.2866 14.2687 14.2689 15.8488 15.8499 16.8650 16.8670 k = 0.0000 0.0000 0.1452 ( 2936 PWs) bands (ev): -13.6599 -13.6598 -12.7208 -12.7206 -11.6027 -11.6026 -9.0226 -9.0225 -8.7508 -8.7506 -8.4759 -8.4758 -0.4366 -0.4365 -0.1365 -0.1348 0.4620 0.4676 1.0567 1.0609 1.5757 1.5758 3.4442 3.4474 3.5921 3.5943 3.8295 3.8311 3.8523 3.8528 4.8417 4.8425 4.8687 4.8712 5.0566 5.0576 5.7313 5.7365 6.6550 6.6560 7.1611 7.1631 7.7212 7.7322 8.4782 8.4853 8.6847 8.7026 10.4334 10.4342 12.2021 12.2022 14.3466 14.3468 15.8264 15.8275 16.8977 16.8998 k = 0.0000 0.0000 0.1573 ( 2930 PWs) bands (ev): -13.6400 -13.6399 -12.7693 -12.7691 -11.5695 -11.5694 -9.0306 -9.0305 -8.7381 -8.7379 -8.4825 -8.4823 -0.4850 -0.4849 -0.1232 -0.1213 0.4359 0.4414 1.0667 1.0706 1.6709 1.6711 3.4446 3.4479 3.5534 3.5556 3.8199 3.8217 3.8633 3.8638 4.8425 4.8433 4.8967 4.8995 5.0229 5.0239 5.7019 5.7075 6.6976 6.6985 7.1713 7.1732 7.6639 7.6744 8.4798 8.4876 8.6901 8.7080 10.4832 10.4841 12.1190 12.1192 14.4210 14.4213 15.8061 15.8070 16.9331 16.9354 k = 0.0000 0.0000 0.1694 ( 2918 PWs) bands (ev): -13.6186 -13.6185 -12.8172 -12.8171 -11.5384 -11.5384 -9.0380 -9.0380 -8.7254 -8.7252 -8.4895 -8.4894 -0.5300 -0.5300 -0.1088 -0.1068 0.4091 0.4145 1.0758 1.0795 1.7671 1.7672 3.4470 3.4505 3.5112 3.5134 3.8083 3.8103 3.8723 3.8727 4.8424 4.8433 4.9276 4.9310 4.9909 4.9917 5.6732 5.6790 6.7397 6.7405 7.1802 7.1821 7.6080 7.6179 8.4824 8.4908 8.6927 8.7105 10.5355 10.5363 12.0372 12.0374 14.4917 14.4919 15.7876 15.7884 16.9713 16.9738 k = 0.0000 0.0000 0.1815 ( 2930 PWs) bands (ev): -13.5957 -13.5956 -12.8645 -12.8644 -11.5096 -11.5096 -9.0450 -9.0449 -8.7128 -8.7126 -8.4970 -8.4968 -0.5715 -0.5715 -0.0934 -0.0912 0.3818 0.3870 1.0842 1.0876 1.8637 1.8639 3.4516 3.4551 3.4655 3.4676 3.7948 3.7970 3.8794 3.8798 4.8415 4.8425 4.9554 4.9616 4.9650 4.9668 5.6448 5.6509 6.7810 6.7818 7.1875 7.1892 7.5541 7.5634 8.4858 8.4950 8.6924 8.7102 10.5899 10.5907 11.9567 11.9569 14.5580 14.5583 15.7709 15.7716 17.0120 17.0147 k = 0.0000 0.0000 0.1936 ( 2942 PWs) bands (ev): -13.5713 -13.5712 -12.9111 -12.9109 -11.4832 -11.4831 -9.0514 -9.0514 -8.7002 -8.7000 -8.5049 -8.5048 -0.6094 -0.6094 -0.0770 -0.0747 0.3541 0.3592 1.0918 1.0949 1.9606 1.9608 3.4159 3.4180 3.4581 3.4618 3.7794 3.7818 3.8850 3.8853 4.8399 4.8409 4.9321 4.9340 4.9984 5.0014 5.6168 5.6231 6.8214 6.8222 7.1927 7.1942 7.5027 7.5113 8.4905 8.5004 8.6896 8.7073 10.6462 10.6471 11.8774 11.8777 14.6196 14.6199 15.7559 15.7565 17.0554 17.0583 k = 0.0000 0.0000 0.2057 ( 2930 PWs) bands (ev): -13.5454 -13.5454 -12.9569 -12.9567 -11.4592 -11.4591 -9.0573 -9.0572 -8.6877 -8.6875 -8.5132 -8.5131 -0.6436 -0.6436 -0.0596 -0.0571 0.3263 0.3312 1.0986 1.1014 2.0574 2.0577 3.3626 3.3645 3.4665 3.4704 3.7622 3.7648 3.8891 3.8894 4.8378 4.8388 4.9078 4.9095 5.0360 5.0395 5.5890 5.5955 6.8608 6.8615 7.1956 7.1970 7.4544 7.4623 8.4965 8.5071 8.6844 8.7020 10.7044 10.7053 11.7994 11.7998 14.6761 14.6764 15.7428 15.7432 17.1014 17.1044 k = 0.0000 0.0000 0.2178 ( 2930 PWs) bands (ev): -13.5182 -13.5181 -13.0019 -13.0017 -11.4377 -11.4377 -9.0625 -9.0625 -8.6752 -8.6751 -8.5219 -8.5218 -0.6739 -0.6739 -0.0412 -0.0386 0.2985 0.3033 1.1046 1.1071 2.1539 2.1542 3.3052 3.3069 3.4769 3.4808 3.7434 3.7462 3.8921 3.8923 4.8352 4.8363 4.8865 4.8881 5.0749 5.0788 5.5611 5.5678 6.8989 6.8996 7.1959 7.1971 7.4098 7.4169 8.5038 8.5151 8.6770 8.6945 10.7641 10.7650 11.7227 11.7231 14.7272 14.7275 15.7312 15.7315 17.1497 17.1529 k = 0.0000 0.0000 0.2299 ( 2936 PWs) bands (ev): -13.4895 -13.4894 -13.0459 -13.0458 -11.4189 -11.4189 -9.0671 -9.0671 -8.6629 -8.6628 -8.5310 -8.5309 -0.7004 -0.7004 -0.0218 -0.0191 0.2708 0.2754 1.1099 1.1120 2.2498 2.2501 3.2437 3.2454 3.4890 3.4930 3.7232 3.7263 3.8942 3.8944 4.8323 4.8334 4.8685 4.8701 5.1145 5.1188 5.5330 5.5398 6.9356 6.9362 7.1934 7.1944 7.3695 7.3758 8.5125 8.5245 8.6678 8.6851 10.8253 10.8262 11.6472 11.6476 14.7723 14.7726 15.7212 15.7215 17.2004 17.2038 k = 0.0000 0.0000 0.2420 ( 2936 PWs) bands (ev): -13.4594 -13.4593 -13.0891 -13.0890 -11.4029 -11.4028 -9.0711 -9.0711 -8.6508 -8.6506 -8.5405 -8.5403 -0.7229 -0.7229 -0.0016 0.0014 0.2433 0.2478 1.1143 1.1161 2.3447 2.3451 3.1782 3.1797 3.5028 3.5069 3.7021 3.7054 3.8955 3.8957 4.8293 4.8305 4.8537 4.8553 5.1543 5.1590 5.5045 5.5113 6.9706 6.9711 7.1879 7.1887 7.3342 7.3395 8.5225 8.5351 8.6569 8.6740 10.8878 10.8887 11.5728 11.5733 14.8112 14.8115 15.7128 15.7130 17.2533 17.2569 k = 0.0000 0.0000 0.2541 ( 2942 PWs) bands (ev): -13.4279 -13.4278 -13.1313 -13.1311 -11.3896 -11.3896 -9.0744 -9.0743 -8.6388 -8.6386 -8.5503 -8.5501 -0.7414 -0.7414 0.0196 0.0227 0.2162 0.2205 1.1180 1.1194 2.4385 2.4389 3.1088 3.1102 3.5182 3.5223 3.6803 3.6838 3.8964 3.8965 4.8264 4.8277 4.8421 4.8436 5.1938 5.1989 5.4753 5.4821 7.0038 7.0042 7.1793 7.1799 7.3045 7.3088 8.5338 8.5470 8.6447 8.6615 10.9515 10.9524 11.4996 11.5001 14.8436 14.8438 15.7059 15.7061 17.3082 17.3120 k = 0.0000 0.0000 0.2662 ( 2954 PWs) bands (ev): -13.3952 -13.3950 -13.1724 -13.1723 -11.3793 -11.3792 -9.0769 -9.0769 -8.6269 -8.6267 -8.5604 -8.5603 -0.7559 -0.7559 0.0416 0.0449 0.1895 0.1936 1.1209 1.1220 2.5307 2.5313 3.0356 3.0368 3.5351 3.5392 3.6582 3.6618 3.8969 3.8970 4.8239 4.8252 4.8334 4.8349 5.2326 5.2379 5.4453 5.4520 7.0349 7.0352 7.1675 7.1680 7.2808 7.2841 8.5462 8.5600 8.6313 8.6478 11.0164 11.0172 11.4274 11.4281 14.8691 14.8692 15.7006 15.7007 17.3649 17.3689 k = 0.0000 0.0000 0.2783 ( 2954 PWs) bands (ev): -13.3611 -13.3610 -13.2124 -13.2123 -11.3718 -11.3718 -9.0788 -9.0788 -8.6152 -8.6151 -8.5709 -8.5707 -0.7662 -0.7662 0.0645 0.0679 0.1632 0.1672 1.1230 1.1238 2.6212 2.6218 2.9588 2.9599 3.5533 3.5574 3.6361 3.6399 3.8972 3.8973 4.8221 4.8234 4.8272 4.8287 5.2701 5.2756 5.4146 5.4211 7.0637 7.0640 7.1527 7.1530 7.2637 7.2659 8.5595 8.5739 8.6172 8.6334 11.0823 11.0831 11.3564 11.3570 14.8875 14.8876 15.6968 15.6968 17.4231 17.4274 k = 0.0000 0.0000 0.2904 ( 2954 PWs) bands (ev): -13.3257 -13.3256 -13.2514 -13.2512 -11.3673 -11.3673 -9.0799 -9.0799 -8.6038 -8.6036 -8.5816 -8.5814 -0.7725 -0.7725 0.0881 0.0917 0.1376 0.1414 1.1244 1.1248 2.7096 2.7103 2.8787 2.8796 3.5727 3.5767 3.6143 3.6182 3.8973 3.8974 4.8212 4.8225 4.8234 4.8249 5.3051 5.3105 5.3842 5.3901 7.0901 7.0903 7.1348 7.1349 7.2535 7.2546 8.5736 8.5884 8.6027 8.6185 11.1493 11.1501 11.2863 11.2870 14.8986 14.8987 15.6945 15.6945 17.4824 17.4870 k = 0.0000 0.0000 0.3025 ( 2942 PWs) bands (ev): -13.2891 -13.2891 -13.2890 -13.2890 -11.3658 -11.3658 -9.0803 -9.0803 -8.5926 -8.5926 -8.5924 -8.5924 -0.7745 -0.7745 0.1125 0.1125 0.1162 0.1162 1.1250 1.1250 2.7955 2.7955 2.7963 2.7963 3.5931 3.5931 3.5971 3.5971 3.8974 3.8974 4.8215 4.8215 4.8229 4.8229 5.3294 5.3294 5.3670 5.3670 7.1139 7.1139 7.1140 7.1140 7.2505 7.2505 8.5881 8.5881 8.6034 8.6034 11.2173 11.2173 11.2181 11.2181 14.9024 14.9024 15.6938 15.6938 17.5429 17.5436 k = 0.0000 0.0000 0.3025 ( 2942 PWs) bands (ev): -13.2891 -13.2891 -13.2890 -13.2890 -11.3658 -11.3658 -9.0803 -9.0803 -8.5926 -8.5926 -8.5924 -8.5924 -0.7745 -0.7745 0.1125 0.1125 0.1162 0.1162 1.1250 1.1250 2.7955 2.7955 2.7963 2.7963 3.5931 3.5931 3.5971 3.5971 3.8974 3.8974 4.8215 4.8215 4.8229 4.8229 5.3294 5.3294 5.3670 5.3670 7.1139 7.1139 7.1140 7.1140 7.2505 7.2505 8.5881 8.5881 8.6034 8.6034 11.2173 11.2173 11.2181 11.2181 14.9024 14.9024 15.6938 15.6938 17.5426 17.5437 k = 0.0104 0.0060 0.3025 ( 2946 PWs) bands (ev): -13.2886 -13.2885 -13.2882 -13.2882 -11.3656 -11.3656 -9.0813 -9.0813 -8.5940 -8.5940 -8.5933 -8.5933 -0.7772 -0.7771 0.1145 0.1146 0.1208 0.1209 1.1260 1.1260 2.7940 2.7942 2.7949 2.7950 3.5889 3.5896 3.5961 3.5962 3.8987 3.8993 4.8215 4.8217 4.8235 4.8236 5.3290 5.3290 5.3677 5.3680 7.1132 7.1134 7.1143 7.1145 7.2523 7.2526 8.5872 8.5872 8.6025 8.6025 11.2188 11.2189 11.2198 11.2199 14.9005 14.9008 15.6932 15.6933 17.5417 17.5448 k = 0.0208 0.0120 0.3025 ( 2946 PWs) bands (ev): -13.2869 -13.2869 -13.2857 -13.2857 -11.3648 -11.3648 -9.0845 -9.0845 -8.5985 -8.5985 -8.5959 -8.5958 -0.7847 -0.7845 0.1174 0.1175 0.1378 0.1380 1.1290 1.1291 2.7895 2.7899 2.7909 2.7914 3.5741 3.5752 3.5967 3.5970 3.9026 3.9037 4.8208 4.8212 4.8264 4.8266 5.3277 5.3277 5.3703 5.3709 7.1111 7.1116 7.1155 7.1159 7.2579 7.2586 8.5844 8.5845 8.5997 8.5998 11.2230 11.2234 11.2255 11.2257 14.8952 14.8959 15.6917 15.6919 17.5402 17.5427 k = 0.0312 0.0180 0.3025 ( 2942 PWs) bands (ev): -13.2842 -13.2842 -13.2815 -13.2815 -11.3636 -11.3635 -9.0899 -9.0899 -8.6060 -8.6059 -8.6001 -8.6000 -0.7965 -0.7963 0.1214 0.1215 0.1659 0.1663 1.1342 1.1343 2.7815 2.7822 2.7850 2.7857 3.5511 3.5525 3.5985 3.5989 3.9069 3.9084 4.8194 4.8200 4.8320 4.8323 5.3256 5.3257 5.3747 5.3755 7.1080 7.1087 7.1176 7.1182 7.2669 7.2680 8.5799 8.5801 8.5952 8.5954 11.2299 11.2305 11.2352 11.2355 14.8866 14.8876 15.6893 15.6895 17.5371 17.5395 k = 0.0417 0.0241 0.3025 ( 2940 PWs) bands (ev): -13.2804 -13.2804 -13.2756 -13.2756 -11.3618 -11.3617 -9.0976 -9.0975 -8.6164 -8.6163 -8.6058 -8.6057 -0.8116 -0.8113 0.1269 0.1270 0.2040 0.2045 1.1416 1.1418 2.7700 2.7707 2.7774 2.7781 3.5224 3.5240 3.6009 3.6015 3.9094 3.9112 4.8174 4.8181 4.8405 4.8410 5.3228 5.3230 5.3808 5.3820 7.1041 7.1050 7.1205 7.1213 7.2790 7.2805 8.5735 8.5739 8.5889 8.5892 11.2395 11.2403 11.2487 11.2492 14.8747 14.8761 15.6861 15.6864 17.5321 17.5373 k = 0.0521 0.0301 0.3025 ( 2936 PWs) bands (ev): -13.2756 -13.2755 -13.2681 -13.2680 -11.3595 -11.3594 -9.1076 -9.1075 -8.6297 -8.6296 -8.6129 -8.6127 -0.8290 -0.8287 0.1335 0.1337 0.2508 0.2514 1.1513 1.1515 2.7547 2.7555 2.7681 2.7689 3.4899 3.4917 3.6040 3.6048 3.9080 3.9099 4.8148 4.8157 4.8525 4.8530 5.3194 5.3197 5.3888 5.3902 7.0996 7.1006 7.1242 7.1251 7.2935 7.2954 8.5652 8.5660 8.5808 8.5815 11.2518 11.2527 11.2660 11.2666 14.8598 14.8615 15.6821 15.6825 17.5260 17.5317 k = 0.0625 0.0361 0.3025 ( 2938 PWs) bands (ev): -13.2697 -13.2696 -13.2588 -13.2588 -11.3567 -11.3566 -9.1200 -9.1200 -8.6459 -8.6458 -8.6212 -8.6210 -0.8477 -0.8473 0.1413 0.1415 0.3053 0.3060 1.1634 1.1636 2.7355 2.7363 2.7575 2.7583 3.4552 3.4570 3.6075 3.6085 3.9013 3.9033 4.8116 4.8127 4.8682 4.8689 5.3156 5.3160 5.3985 5.4002 7.0945 7.0956 7.1285 7.1297 7.3100 7.3123 8.5549 8.5562 8.5710 8.5722 11.2667 11.2678 11.2869 11.2876 14.8418 14.8438 15.6776 15.6781 17.5184 17.5233 k = 0.0729 0.0421 0.3025 ( 2944 PWs) bands (ev): -13.2628 -13.2626 -13.2479 -13.2478 -11.3533 -11.3533 -9.1351 -9.1351 -8.6648 -8.6647 -8.6305 -8.6303 -0.8668 -0.8664 0.1499 0.1501 0.3666 0.3673 1.1780 1.1784 2.7124 2.7132 2.7457 2.7465 3.4192 3.4211 3.6113 3.6124 3.8884 3.8904 4.8078 4.8090 4.8880 4.8888 5.3115 5.3121 5.4100 5.4119 7.0888 7.0900 7.1335 7.1349 7.3280 7.3307 8.5426 8.5446 8.5596 8.5615 11.2842 11.2855 11.3114 11.3121 14.8210 14.8233 15.6727 15.6733 17.5090 17.5137 k = 0.0833 0.0481 0.3025 ( 2936 PWs) bands (ev): -13.2548 -13.2547 -13.2353 -13.2352 -11.3495 -11.3494 -9.1529 -9.1529 -8.6865 -8.6864 -8.6406 -8.6403 -0.8855 -0.8851 0.1592 0.1594 0.4336 0.4344 1.1954 1.1958 2.6852 2.6861 2.7329 2.7338 3.3829 3.3848 3.6152 3.6165 3.8690 3.8710 4.8032 4.8047 4.9118 4.9128 5.3075 5.3082 5.4232 5.4254 7.0826 7.0839 7.1390 7.1406 7.3471 7.3502 8.5283 8.5310 8.5469 8.5495 11.3042 11.3057 11.3393 11.3401 14.7976 14.8002 15.6677 15.6684 17.4980 17.5025 k = 0.0938 0.0541 0.3025 ( 2936 PWs) bands (ev): -13.2458 -13.2457 -13.2211 -13.2210 -11.3451 -11.3451 -9.1736 -9.1736 -8.7108 -8.7106 -8.6512 -8.6509 -0.9034 -0.9030 0.1688 0.1691 0.5057 0.5066 1.2157 1.2161 2.6542 2.6551 2.7193 2.7202 3.3467 3.3487 3.6189 3.6205 3.8432 3.8452 4.7980 4.7996 4.9394 4.9405 5.3037 5.3046 5.4381 5.4406 7.0757 7.0770 7.1450 7.1467 7.3668 7.3703 8.5120 8.5153 8.5329 8.5361 11.3267 11.3283 11.3703 11.3712 14.7717 14.7745 15.6628 15.6636 17.4853 17.4897 k = 0.1042 0.0601 0.3025 ( 2936 PWs) bands (ev): -13.2358 -13.2357 -13.2052 -13.2051 -11.3403 -11.3402 -9.1973 -9.1972 -8.7376 -8.7375 -8.6621 -8.6618 -0.9199 -0.9194 0.1785 0.1789 0.5822 0.5832 1.2390 1.2395 2.6195 2.6203 2.7051 2.7060 3.3110 3.3131 3.6221 3.6239 3.8118 3.8136 4.7921 4.7938 4.9704 4.9715 5.3006 5.3016 5.4547 5.4575 7.0680 7.0694 7.1512 7.1531 7.3867 7.3906 8.4937 8.4975 8.5179 8.5216 11.3515 11.3532 11.4045 11.4054 14.7435 14.7466 15.6582 15.6591 17.4711 17.4752 k = 0.1146 0.0662 0.3025 ( 2940 PWs) bands (ev): -13.2249 -13.2247 -13.1876 -13.1875 -11.3349 -11.3348 -9.2241 -9.2240 -8.7669 -8.7667 -8.6731 -8.6728 -0.9346 -0.9342 0.1881 0.1885 0.6626 0.6636 1.2654 1.2661 2.5813 2.5822 2.6903 2.6913 3.2761 3.2782 3.6241 3.6262 3.7757 3.7774 4.7854 4.7872 5.0042 5.0054 5.2985 5.2995 5.4730 5.4760 7.0595 7.0609 7.1576 7.1596 7.4063 7.4105 8.4733 8.4776 8.5019 8.5061 11.3784 11.3802 11.4415 11.4425 14.7132 14.7166 15.6541 15.6552 17.4553 17.4592 k = 0.1250 0.0722 0.3025 ( 2936 PWs) bands (ev): -13.2130 -13.2128 -13.1684 -13.1683 -11.3289 -11.3288 -9.2540 -9.2539 -8.7985 -8.7983 -8.6841 -8.6838 -0.9473 -0.9469 0.1974 0.1978 0.7462 0.7473 1.2952 1.2959 2.5400 2.5409 2.6750 2.6760 3.2421 3.2442 3.6237 3.6264 3.7368 3.7382 4.7778 4.7798 5.0403 5.0415 5.2977 5.2988 5.4929 5.4961 7.0500 7.0514 7.1640 7.1661 7.4253 7.4299 8.4511 8.4557 8.4850 8.4895 11.4075 11.4093 11.4812 11.4823 14.6811 14.6847 15.6508 15.6520 17.4380 17.4418 k = 0.1354 0.0782 0.3025 ( 2936 PWs) bands (ev): -13.2002 -13.2000 -13.1476 -13.1474 -11.3225 -11.3224 -9.2871 -9.2870 -8.8324 -8.8321 -8.6949 -8.6946 -0.9578 -0.9574 0.2061 0.2065 0.8326 0.8337 1.3282 1.3291 2.4960 2.4969 2.6593 2.6604 3.2089 3.2112 3.6176 3.6211 3.6990 3.7004 4.7694 4.7715 5.0778 5.0791 5.2987 5.2999 5.5144 5.5179 7.0394 7.0409 7.1701 7.1723 7.4432 7.4481 8.4270 8.4318 8.4674 8.4722 11.4384 11.4404 11.5233 11.5245 14.6472 14.6511 15.6486 15.6500 17.4194 17.4231 k = 0.1458 0.0842 0.3025 ( 2940 PWs) bands (ev): -13.1866 -13.1864 -13.1251 -13.1249 -11.3155 -11.3154 -9.3233 -9.3232 -8.8683 -8.8681 -8.7053 -8.7050 -0.9659 -0.9655 0.2140 0.2144 0.9212 0.9224 1.3647 1.3657 2.4496 2.4505 2.6431 2.6443 3.1767 3.1791 3.5977 3.6018 3.6713 3.6728 4.7601 4.7624 5.1161 5.1174 5.3020 5.3034 5.5375 5.5412 7.0277 7.0293 7.1758 7.1781 7.4596 7.4647 8.4010 8.4060 8.4492 8.4541 11.4712 11.4732 11.5678 11.5690 14.6119 14.6159 15.6478 15.6493 17.3995 17.4031 k = 0.1562 0.0902 0.3025 ( 2944 PWs) bands (ev): -13.1721 -13.1719 -13.1010 -13.1008 -11.3080 -11.3079 -9.3627 -9.3626 -8.9063 -8.9060 -8.7154 -8.7151 -0.9715 -0.9712 0.2210 0.2215 1.0116 1.0128 1.4045 1.4057 2.4013 2.4022 2.6264 2.6276 3.1454 3.1479 3.5605 3.5642 3.6589 3.6602 4.7499 4.7523 5.1539 5.1554 5.3084 5.3101 5.5621 5.5660 7.0149 7.0166 7.1807 7.1831 7.4741 7.4793 8.3733 8.3785 8.4305 8.4355 11.5055 11.5075 11.6144 11.6156 14.5752 14.5794 15.6484 15.6502 17.3785 17.3819 k = 0.1667 0.0962 0.3025 ( 2938 PWs) bands (ev): -13.1568 -13.1566 -13.0753 -13.0751 -11.2999 -11.2998 -9.4051 -9.4049 -8.9461 -8.9458 -8.7250 -8.7247 -0.9746 -0.9743 0.2270 0.2276 1.1030 1.1042 1.4478 1.4491 2.3515 2.3524 2.6091 2.6104 3.1152 3.1179 3.5143 3.5176 3.6536 3.6547 4.7389 4.7415 5.1901 5.1920 5.3189 5.3211 5.5882 5.5924 7.0008 7.0026 7.1847 7.1871 7.4862 7.4916 8.3440 8.3493 8.4116 8.4167 11.5413 11.5433 11.6628 11.6641 14.5373 14.5417 15.6510 15.6529 17.3563 17.3598 k = 0.1771 0.1022 0.3025 ( 2942 PWs) bands (ev): -13.1407 -13.1405 -13.0480 -13.0478 -11.2913 -11.2911 -9.4503 -9.4502 -8.9877 -8.9874 -8.7340 -8.7338 -0.9750 -0.9747 0.2320 0.2326 1.1946 1.1959 1.4943 1.4959 2.3006 2.3015 2.5908 2.5922 3.0861 3.0890 3.4654 3.4683 3.6498 3.6511 4.7272 4.7298 5.2229 5.2255 5.3348 5.3377 5.6158 5.6202 6.9856 6.9874 7.1874 7.1898 7.4955 7.5011 8.3131 8.3186 8.3926 8.3978 11.5783 11.5803 11.7129 11.7143 14.4983 14.5029 15.6555 15.6576 17.3332 17.3366 k = 0.1875 0.1083 0.3025 ( 2946 PWs) bands (ev): -13.1240 -13.1237 -13.0191 -13.0189 -11.2821 -11.2820 -9.4984 -9.4982 -9.0309 -9.0306 -8.7426 -8.7424 -0.9728 -0.9726 0.2360 0.2366 1.2855 1.2868 1.5443 1.5462 2.2490 2.2500 2.5713 2.5729 3.0585 3.0616 3.4165 3.4192 3.6461 3.6475 4.7148 4.7175 5.2511 5.2545 5.3573 5.3610 5.6449 5.6494 6.9691 6.9710 7.1886 7.1909 7.5017 7.5073 8.2808 8.2864 8.3739 8.3791 11.6163 11.6184 11.7645 11.7659 14.4585 14.4633 15.6622 15.6645 17.3092 17.3126 k = 0.1979 0.1143 0.3025 ( 2948 PWs) bands (ev): -13.1066 -13.1063 -12.9887 -12.9884 -11.2724 -11.2722 -9.5490 -9.5488 -9.0755 -9.0753 -8.7507 -8.7505 -0.9680 -0.9677 0.2389 0.2395 1.3744 1.3756 1.5977 1.6001 2.1972 2.1983 2.5502 2.5520 3.0329 3.0362 3.3693 3.3718 3.6416 3.6432 4.7018 4.7047 5.2748 5.2788 5.3864 5.3907 5.6753 5.6801 6.9514 6.9534 7.1878 7.1901 7.5043 7.5099 8.2472 8.2530 8.3558 8.3610 11.6552 11.6572 11.8173 11.8187 14.4180 14.4229 15.6714 15.6739 17.2844 17.2878 k = 0.2083 0.1203 0.3025 ( 2948 PWs) bands (ev): -13.0886 -13.0883 -12.9566 -12.9564 -11.2620 -11.2619 -9.6021 -9.6018 -9.1216 -9.1213 -8.7584 -8.7581 -0.9605 -0.9603 0.2408 0.2415 1.4596 1.4608 1.6546 1.6575 2.1458 2.1469 2.5272 2.5291 3.0102 3.0138 3.3250 3.3272 3.6363 3.6380 4.6885 4.6915 5.2955 5.2998 5.4203 5.4248 5.7070 5.7121 6.9325 6.9346 7.1848 7.1871 7.5030 7.5086 8.2124 8.2184 8.3386 8.3437 11.6948 11.6967 11.8711 11.8726 14.3768 14.3818 15.6832 15.6859 17.2589 17.2623 k = 0.2188 0.1263 0.3025 ( 2952 PWs) bands (ev): -13.0700 -13.0697 -12.9231 -12.9228 -11.2511 -11.2509 -9.6574 -9.6572 -9.1689 -9.1686 -8.7656 -8.7653 -0.9504 -0.9502 0.2417 0.2424 1.5394 1.5405 1.7144 1.7180 2.0954 2.0967 2.5018 2.5040 2.9915 2.9952 3.2845 3.2865 3.6300 3.6319 4.6750 4.6781 5.3149 5.3193 5.4570 5.4614 5.7401 5.7453 6.9124 6.9146 7.1792 7.1814 7.4975 7.5030 8.1767 8.1828 8.3225 8.3275 11.7347 11.7367 11.9258 11.9274 14.3351 14.3402 15.6977 15.7006 17.2328 17.2361 k = 0.2292 0.1323 0.3025 ( 2956 PWs) bands (ev): -13.0509 -13.0506 -12.8879 -12.8876 -11.2396 -11.2394 -9.7148 -9.7146 -9.2173 -9.2170 -8.7723 -8.7721 -0.9377 -0.9375 0.2418 0.2426 1.6121 1.6132 1.7751 1.7792 2.0479 2.0494 2.4744 2.4768 2.9780 2.9818 3.2487 3.2504 3.6229 3.6249 4.6614 4.6647 5.3341 5.3385 5.4947 5.4992 5.7743 5.7798 6.8912 6.8934 7.1707 7.1729 7.4876 7.4929 8.1402 8.1464 8.3079 8.3127 11.7748 11.7768 11.9812 11.9828 14.2930 14.2982 15.7151 15.7182 17.2061 17.2095 k = 0.2396 0.1383 0.3025 ( 2950 PWs) bands (ev): -13.0315 -13.0312 -12.8513 -12.8510 -11.2274 -11.2272 -9.7742 -9.7739 -9.2667 -9.2664 -8.7787 -8.7785 -0.9224 -0.9223 0.2411 0.2419 1.6773 1.6784 1.8292 1.8335 2.0082 2.0102 2.4461 2.4486 2.9711 2.9750 3.2180 3.2194 3.6150 3.6171 4.6481 4.6515 5.3537 5.3582 5.5327 5.5372 5.8097 5.8154 6.8687 6.8710 7.1591 7.1612 7.4731 7.4782 8.1031 8.1095 8.2949 8.2995 11.8150 11.8169 12.0371 12.0388 14.2507 14.2560 15.7355 15.7388 17.1791 17.1825 k = 0.2500 0.1443 0.3025 ( 2946 PWs) bands (ev): -13.0117 -13.0113 -12.8132 -12.8128 -11.2146 -11.2144 -9.8353 -9.8350 -9.3170 -9.3166 -8.7848 -8.7846 -0.9047 -0.9046 0.2398 0.2406 1.7351 1.7363 1.8573 1.8605 1.9913 1.9946 2.4197 2.4223 2.9721 2.9759 3.1930 3.1940 3.6066 3.6089 4.6351 4.6387 5.3738 5.3784 5.5704 5.5749 5.8460 5.8520 6.8452 6.8475 7.1440 7.1460 7.4539 7.4588 8.0657 8.0721 8.2837 8.2880 11.8549 11.8568 12.0933 12.0950 14.2081 14.2135 15.7589 15.7624 17.1518 17.1552 k = 0.2604 0.1504 0.3025 ( 2950 PWs) bands (ev): -12.9916 -12.9912 -12.7735 -12.7732 -11.2012 -11.2010 -9.8981 -9.8977 -9.3679 -9.3676 -8.7904 -8.7903 -0.8845 -0.8844 0.2378 0.2386 1.7853 1.7863 1.8433 1.8444 2.0066 2.0111 2.4010 2.4032 2.9815 2.9852 3.1743 3.1747 3.5981 3.6005 4.6227 4.6265 5.3944 5.3991 5.6073 5.6119 5.8832 5.8895 6.8205 6.8229 7.1253 7.1273 7.4300 7.4346 8.0282 8.0346 8.2742 8.2783 11.8944 11.8963 12.1496 12.1513 14.1655 14.1709 15.7854 15.7891 17.1243 17.1276 k = 0.2708 0.1564 0.3025 ( 2954 PWs) bands (ev): -12.9713 -12.9710 -12.7324 -12.7321 -11.1870 -11.1868 -9.9622 -9.9619 -9.4195 -9.4192 -8.7958 -8.7956 -0.8620 -0.8619 0.2354 0.2363 1.7981 1.7999 1.8367 1.8386 2.0237 2.0280 2.3978 2.3990 2.9997 3.0032 3.1622 3.1627 3.5898 3.5924 4.6112 4.6152 5.4155 5.4204 5.6432 5.6479 5.9211 5.9277 6.7946 6.7970 7.1030 7.1049 7.4014 7.4057 7.9909 7.9973 8.2665 8.2703 11.9334 11.9352 12.2059 12.2076 14.1228 14.1282 15.8151 15.8190 17.0968 17.1000 k = 0.2812 0.1624 0.3025 ( 2950 PWs) bands (ev): -12.9509 -12.9506 -12.6899 -12.6895 -11.1722 -11.1720 -10.0277 -10.0273 -9.4715 -9.4712 -8.8009 -8.8007 -0.8371 -0.8370 0.2327 0.2335 1.7567 1.7578 1.8732 1.8748 2.0206 2.0239 2.4142 2.4151 3.0256 3.0292 3.1578 3.1595 3.5825 3.5853 4.6008 4.6050 5.4368 5.4420 5.6780 5.6828 5.9595 5.9663 6.7676 6.7701 7.0771 7.0790 7.3682 7.3722 7.9541 7.9604 8.2604 8.2639 11.9715 11.9733 12.2620 12.2638 14.0802 14.0856 15.8479 15.8520 17.0693 17.0724 k = 0.2917 0.1684 0.3025 ( 2952 PWs) bands (ev): -12.9305 -12.9302 -12.6459 -12.6455 -11.1567 -11.1564 -10.0942 -10.0938 -9.5239 -9.5235 -8.8057 -8.8055 -0.8101 -0.8100 0.2297 0.2305 1.7111 1.7120 1.9040 1.9057 1.9972 1.9992 2.4459 2.4480 3.0568 3.0610 3.1636 3.1668 3.5771 3.5803 4.5917 4.5961 5.4582 5.4636 5.7113 5.7163 5.9981 6.0053 6.7395 6.7420 7.0479 7.0498 7.3305 7.3342 7.9179 7.9240 8.2558 8.2591 12.0088 12.0106 12.3178 12.3196 14.0377 14.0431 15.8839 15.8882 17.0419 17.0450 k = 0.3021 0.1744 0.3025 ( 2948 PWs) bands (ev): -12.9101 -12.9098 -12.6005 -12.6001 -11.1404 -11.1402 -10.1618 -10.1614 -9.5764 -9.5761 -8.8102 -8.8101 -0.7810 -0.7809 0.2266 0.2274 1.6648 1.6656 1.9158 1.9177 1.9717 1.9723 2.4848 2.4881 3.0892 3.0942 3.1833 3.1877 3.5752 3.5788 4.5843 4.5889 5.4793 5.4850 5.7430 5.7483 6.0367 6.0442 6.7103 6.7128 7.0158 7.0177 7.2885 7.2920 7.8826 7.8884 8.2525 8.2555 12.0449 12.0467 12.3731 12.3749 13.9955 14.0008 15.9230 15.9275 17.0149 17.0179 k = 0.3125 0.1804 0.3025 ( 2954 PWs) bands (ev): -12.8900 -12.8897 -12.5538 -12.5534 -11.1233 -11.1231 -10.2302 -10.2298 -9.6291 -9.6288 -8.8145 -8.8143 -0.7499 -0.7497 0.2234 0.2243 1.6184 1.6191 1.8819 1.8832 1.9772 1.9777 2.5239 2.5278 3.1196 3.1246 3.2186 3.2228 3.5792 3.5833 4.5788 4.5837 5.4998 5.5057 5.7730 5.7786 6.0748 6.0827 6.6800 6.6825 6.9815 6.9834 7.2422 7.2456 7.8481 7.8537 8.2503 8.2530 12.0799 12.0816 12.4278 12.4297 13.9534 13.9588 15.9653 15.9699 16.9883 16.9911 k = 0.3229 0.1864 0.3025 ( 2950 PWs) bands (ev): -12.8701 -12.8697 -12.5057 -12.5052 -11.1055 -11.1053 -10.2994 -10.2990 -9.6817 -9.6813 -8.8185 -8.8184 -0.7169 -0.7167 0.2203 0.2212 1.5719 1.5726 1.8274 1.8281 1.9936 1.9943 2.5589 2.5630 3.1488 3.1528 3.2643 3.2670 3.5925 3.5974 4.5757 4.5809 5.5192 5.5255 5.8009 5.8069 6.1121 6.1203 6.6488 6.6514 6.9455 6.9476 7.1921 7.1954 7.8146 7.8200 8.2490 8.2515 12.1135 12.1152 12.4818 12.4837 13.9117 13.9170 16.0106 16.0154 16.9623 16.9650 k = 0.3333 0.1925 0.3025 ( 2958 PWs) bands (ev): -12.8505 -12.8502 -12.4562 -12.4558 -11.0870 -11.0867 -10.3692 -10.3688 -9.7341 -9.7337 -8.8223 -8.8222 -0.6822 -0.6821 0.2175 0.2184 1.5251 1.5258 1.7679 1.7683 2.0087 2.0094 2.5879 2.5920 3.1778 3.1809 3.3121 3.3131 3.6197 3.6255 4.5754 4.5808 5.5372 5.5439 5.8265 5.8330 6.1477 6.1563 6.6172 6.6199 6.9088 6.9111 7.1384 7.1417 7.7820 7.7872 8.2484 8.2507 12.1456 12.1473 12.5350 12.5368 13.8703 13.8755 16.0589 16.0639 16.9370 16.9395 k = 0.3438 0.1985 0.3025 ( 2958 PWs) bands (ev): -12.8315 -12.8312 -12.4055 -12.4050 -11.0676 -11.0674 -10.4395 -10.4390 -9.7861 -9.7858 -8.8258 -8.8257 -0.6461 -0.6458 0.2150 0.2159 1.4775 1.4782 1.7076 1.7079 2.0212 2.0218 2.6106 2.6146 3.2055 3.2081 3.3561 3.3574 3.6644 3.6710 4.5783 4.5840 5.5533 5.5604 5.8495 5.8565 6.1807 6.1896 6.5858 6.5886 6.8722 6.8749 7.0817 7.0851 7.7503 7.7552 8.2483 8.2505 12.1762 12.1778 12.5872 12.5891 13.8294 13.8344 16.1102 16.1153 16.9126 16.9149 k = 0.3542 0.2045 0.3025 ( 2962 PWs) bands (ev): -12.8130 -12.8127 -12.3535 -12.3530 -11.0474 -11.0472 -10.5101 -10.5097 -9.8377 -9.8374 -8.8291 -8.8290 -0.6085 -0.6083 0.2130 0.2139 1.4283 1.4290 1.6489 1.6493 2.0310 2.0316 2.6277 2.6315 3.2286 3.2311 3.3975 3.3995 3.7265 3.7335 4.5851 4.5910 5.5667 5.5741 5.8694 5.8770 6.2098 6.2188 6.5557 6.5589 6.8367 6.8400 7.0227 7.0263 7.7193 7.7238 8.2487 8.2507 12.2052 12.2067 12.6385 12.6404 13.7888 13.7938 16.1643 16.1695 16.8891 16.8913 k = 0.3646 0.2105 0.3025 ( 2954 PWs) bands (ev): -12.7951 -12.7949 -12.3002 -12.2997 -11.0265 -11.0263 -10.5810 -10.5805 -9.8886 -9.8883 -8.8322 -8.8321 -0.5699 -0.5696 0.2116 0.2125 1.3767 1.3773 1.5938 1.5942 2.0386 2.0392 2.6402 2.6437 3.2446 3.2471 3.4403 3.4423 3.8024 3.8093 4.5965 4.6026 5.5767 5.5845 5.8858 5.8942 6.2329 6.2418 6.5286 6.5322 6.8034 6.8076 6.9625 6.9662 7.6888 7.6931 8.2494 8.2512 12.2324 12.2339 12.6887 12.6906 13.7486 13.7535 16.2211 16.2264 16.8669 16.8688 k = 0.3750 0.2165 0.3025 ( 2950 PWs) bands (ev): -12.7781 -12.7779 -12.2457 -12.2453 -11.0049 -11.0047 -10.6520 -10.6515 -9.9387 -9.9384 -8.8351 -8.8350 -0.5305 -0.5302 0.2111 0.2120 1.3221 1.3226 1.5437 1.5441 2.0443 2.0448 2.6491 2.6522 3.2530 3.2552 3.4862 3.4878 3.8874 3.8941 4.6132 4.6195 5.5823 5.5904 5.8983 5.9074 6.2478 6.2561 6.5060 6.5105 6.7736 6.7788 6.9022 6.9061 7.6587 7.6628 8.2503 8.2520 12.2579 12.2593 12.7378 12.7397 13.7089 13.7136 16.2805 16.2858 16.8460 16.8476 k = 0.3854 0.2225 0.3025 ( 2954 PWs) bands (ev): -12.7620 -12.7617 -12.1901 -12.1896 -10.9827 -10.9825 -10.7229 -10.7225 -9.9879 -9.9876 -8.8377 -8.8376 -0.4907 -0.4904 0.2115 0.2124 1.2644 1.2649 1.4992 1.4996 2.0484 2.0489 2.6552 2.6580 3.2552 3.2572 3.5347 3.5356 3.9777 3.9842 4.6360 4.6424 5.5824 5.5908 5.9065 5.9162 6.2528 6.2598 6.4886 6.4943 6.7491 6.7552 6.8436 6.8475 7.6290 7.6328 8.2514 8.2529 12.2815 12.2828 12.7858 12.7877 13.6696 13.6742 16.3423 16.3476 16.8266 16.8279 k = 0.3958 0.2285 0.3025 ( 2962 PWs) bands (ev): -12.7469 -12.7466 -12.1334 -12.1329 -10.9601 -10.9600 -10.7936 -10.7932 -10.0358 -10.0355 -8.8401 -8.8400 -0.4509 -0.4505 0.2132 0.2141 1.2042 1.2046 1.4605 1.4608 2.0513 2.0517 2.6594 2.6620 3.2533 3.2550 3.5834 3.5842 4.0706 4.0768 4.6658 4.6722 5.5759 5.5842 5.9102 5.9205 6.2476 6.2527 6.4747 6.4816 6.7313 6.7383 6.7894 6.7928 7.5996 7.6032 8.2525 8.2538 12.3032 12.3045 12.8326 12.8345 13.6307 13.6351 16.4062 16.4115 16.8089 16.8099 k = 0.4062 0.2345 0.3025 ( 2952 PWs) bands (ev): -12.7328 -12.7326 -12.0756 -12.0751 -10.9383 -10.9381 -10.8628 -10.8625 -10.0822 -10.0820 -8.8423 -8.8422 -0.4115 -0.4111 0.2164 0.2173 1.1425 1.1429 1.4270 1.4272 2.0533 2.0536 2.6623 2.6645 3.2488 3.2502 3.6306 3.6316 4.1640 4.1699 4.7031 4.7094 5.5615 5.5697 5.9094 5.9200 6.2335 6.2368 6.4613 6.4689 6.7161 6.7230 6.7483 6.7498 7.5706 7.5739 8.2536 8.2548 12.3230 12.3242 12.8783 12.8802 13.5922 13.5965 16.4719 16.4770 16.7934 16.7939 k = 0.4167 0.2406 0.3025 ( 2954 PWs) bands (ev): -12.7200 -12.7198 -12.0168 -12.0163 -10.9437 -10.9427 -10.9049 -10.9041 -10.1269 -10.1267 -8.8442 -8.8442 -0.3733 -0.3728 0.2213 0.2222 1.0804 1.0808 1.3982 1.3984 2.0545 2.0548 2.6642 2.6662 3.2428 3.2441 3.6745 3.6758 4.2566 4.2622 4.7481 4.7542 5.5388 5.5465 5.9043 5.9148 6.2118 6.2137 6.4470 6.4545 6.6825 6.6883 6.7396 6.7437 7.5421 7.5451 8.2547 8.2558 12.3408 12.3419 12.9228 12.9248 13.5541 13.5582 16.5387 16.5433 16.7806 16.7810 k = 0.4271 0.2466 0.3025 ( 2948 PWs) bands (ev): -12.7084 -12.7082 -11.9572 -11.9567 -11.0088 -11.0081 -10.8858 -10.8854 -10.1695 -10.1692 -8.8460 -8.8459 -0.3368 -0.3364 0.2281 0.2290 1.0192 1.0195 1.3736 1.3738 2.0552 2.0554 2.6654 2.6672 3.2364 3.2375 3.7141 3.7157 4.3473 4.3527 4.8002 4.8059 5.5078 5.5150 5.8944 5.9043 6.1832 6.1851 6.4334 6.4403 6.6449 6.6501 6.7505 6.7543 7.5143 7.5171 8.2557 8.2567 12.3566 12.3576 12.9662 12.9683 13.5163 13.5203 16.6045 16.6083 16.7719 16.7734 k = 0.4375 0.2526 0.3025 ( 2956 PWs) bands (ev): -12.6982 -12.6981 -11.8967 -11.8962 -11.0777 -11.0771 -10.8630 -10.8627 -10.2094 -10.2092 -8.8475 -8.8474 -0.3030 -0.3026 0.2371 0.2379 0.9601 0.9603 1.3529 1.3530 2.0555 2.0557 2.6663 2.6677 3.2299 3.2309 3.7486 3.7502 4.4358 4.4410 4.8576 4.8627 5.4700 5.4769 5.8780 5.8871 6.1501 6.1526 6.4234 6.4295 6.6110 6.6158 6.7685 6.7715 7.4877 7.4903 8.2566 8.2575 12.3704 12.3712 13.0086 13.0107 13.4788 13.4826 16.6632 16.6646 16.7738 16.7779 k = 0.4479 0.2586 0.3025 ( 2960 PWs) bands (ev): -12.6894 -12.6893 -11.8357 -11.8352 -11.1463 -11.1457 -10.8406 -10.8403 -10.2461 -10.2459 -8.8488 -8.8487 -0.2726 -0.2722 0.2481 0.2488 0.9043 0.9045 1.3357 1.3358 2.0555 2.0557 2.6668 2.6680 3.2239 3.2247 3.7776 3.7792 4.5217 4.5265 4.9166 4.9212 5.4287 5.4354 5.8529 5.8607 6.1171 6.1200 6.4187 6.4240 6.5811 6.5855 6.7895 6.7917 7.4629 7.4651 8.2575 8.2582 12.3821 12.3828 13.0498 13.0520 13.4417 13.4453 16.6960 16.6974 16.8036 16.8106 k = 0.4583 0.2646 0.3025 ( 2956 PWs) bands (ev): -12.6822 -12.6821 -11.7745 -11.7740 -11.2139 -11.2133 -10.8197 -10.8195 -10.2787 -10.2785 -8.8498 -8.8498 -0.2466 -0.2462 0.2607 0.2614 0.8535 0.8537 1.3218 1.3219 2.0554 2.0556 2.6672 2.6682 3.2187 3.2193 3.8010 3.8024 4.6047 4.6092 4.9710 4.9750 5.3896 5.3965 5.8168 5.8233 6.0893 6.0921 6.4195 6.4240 6.5546 6.5586 6.8107 6.8122 7.4405 7.4423 8.2582 8.2588 12.3917 12.3923 13.0900 13.0923 13.4049 13.4083 16.7034 16.7050 16.8628 16.8704 k = 0.4688 0.2706 0.3025 ( 2952 PWs) bands (ev): -12.6765 -12.6764 -11.7137 -11.7132 -11.2796 -11.2791 -10.8013 -10.8011 -10.3062 -10.3060 -8.8506 -8.8506 -0.2255 -0.2252 0.2739 0.2745 0.8097 0.8099 1.3111 1.3112 2.0553 2.0554 2.6675 2.6682 3.2144 3.2149 3.8189 3.8200 4.6841 4.6880 5.0098 5.0131 5.3625 5.3693 5.7710 5.7762 6.0695 6.0717 6.4247 6.4286 6.5311 6.5348 6.8298 6.8307 7.4215 7.4229 8.2588 8.2592 12.3992 12.3997 13.1290 13.1313 13.3686 13.3718 16.7027 16.7040 16.9330 16.9403 k = 0.4792 0.2766 0.3025 ( 2948 PWs) bands (ev): -12.6723 -12.6723 -11.6552 -11.6547 -11.3417 -11.3412 -10.7867 -10.7866 -10.3273 -10.3272 -8.8512 -8.8512 -0.2101 -0.2099 0.2861 0.2865 0.7752 0.7754 1.3036 1.3036 2.0552 2.0552 2.6677 2.6682 3.2113 3.2116 3.8315 3.8322 4.7578 4.7610 5.0211 5.0235 5.3579 5.3638 5.7213 5.7253 6.0572 6.0587 6.4330 6.4363 6.5109 6.5141 6.8450 6.8456 7.4069 7.4079 8.2592 8.2595 12.4046 12.4049 13.1663 13.1687 13.3332 13.3362 16.7007 16.7015 17.0056 17.0124 k = 0.4896 0.2827 0.3025 ( 2944 PWs) bands (ev): -12.6699 -12.6698 -11.6044 -11.6040 -11.3945 -11.3942 -10.7772 -10.7772 -10.3407 -10.3406 -8.8515 -8.8515 -0.2007 -0.2006 0.2949 0.2951 0.7529 0.7530 1.2990 1.2991 2.0551 2.0551 2.6679 2.6681 3.2094 3.2096 3.8390 3.8394 4.8193 4.8214 5.0062 5.0074 5.3722 5.3758 5.6794 5.6818 6.0509 6.0517 6.4425 6.4448 6.4952 6.4975 6.8549 6.8551 7.3978 7.3983 8.2595 8.2597 12.4079 12.4081 13.1999 13.2019 13.3012 13.3036 16.6992 16.6996 17.0738 17.0793 k = 0.5000 0.2887 0.3025 ( 2944 PWs) bands (ev): -12.6690 -12.6690 -11.5802 -11.5802 -11.4191 -11.4191 -10.7739 -10.7739 -10.3452 -10.3452 -8.8516 -8.8516 -0.1975 -0.1975 0.2982 0.2982 0.7452 0.7452 1.2975 1.2975 2.0550 2.0550 2.6680 2.6680 3.2088 3.2088 3.8416 3.8416 4.8484 4.8484 4.9925 4.9925 5.3833 5.3833 5.6627 5.6627 6.0493 6.0493 6.4484 6.4484 6.4893 6.4893 6.8583 6.8583 7.3948 7.3948 8.2597 8.2597 12.4091 12.4091 13.2185 13.2185 13.2852 13.2852 16.6988 16.6988 17.1131 17.1131 k = 0.5000 0.2887 0.3025 ( 2944 PWs) bands (ev): -12.6690 -12.6690 -11.5802 -11.5802 -11.4191 -11.4191 -10.7739 -10.7739 -10.3452 -10.3452 -8.8516 -8.8516 -0.1975 -0.1975 0.2982 0.2982 0.7452 0.7452 1.2975 1.2975 2.0550 2.0550 2.6680 2.6680 3.2088 3.2088 3.8416 3.8416 4.8484 4.8484 4.9925 4.9925 5.3833 5.3833 5.6627 5.6627 6.0493 6.0493 6.4484 6.4484 6.4893 6.4893 6.8583 6.8583 7.3948 7.3948 8.2597 8.2597 12.4091 12.4091 13.2185 13.2185 13.2852 13.2852 16.6988 16.6988 17.1131 17.1131 k = 0.4940 0.2990 0.3025 ( 2944 PWs) bands (ev): -12.6681 -12.6681 -11.5804 -11.5803 -11.4201 -11.4200 -10.7733 -10.7732 -10.3444 -10.3443 -8.8536 -8.8536 -0.2006 -0.2004 0.3051 0.3053 0.7441 0.7441 1.2985 1.2985 2.0528 2.0528 2.6667 2.6667 3.2096 3.2098 3.8432 3.8434 4.8437 4.8446 4.9801 4.9816 5.3932 5.3946 5.6657 5.6665 6.0482 6.0488 6.4489 6.4491 6.4884 6.4888 6.8598 6.8599 7.3945 7.3945 8.2594 8.2594 12.4099 12.4099 13.2180 13.2181 13.2848 13.2849 16.6987 16.6990 17.1138 17.1139 k = 0.4881 0.3093 0.3025 ( 2944 PWs) bands (ev): -12.6655 -12.6655 -11.5811 -11.5810 -11.4231 -11.4229 -10.7715 -10.7713 -10.3417 -10.3415 -8.8596 -8.8596 -0.2091 -0.2088 0.3253 0.3256 0.7407 0.7408 1.3015 1.3015 2.0462 2.0463 2.6629 2.6629 3.2119 3.2123 3.8481 3.8486 4.8308 4.8325 4.9479 4.9506 5.4213 5.4238 5.6753 5.6767 6.0457 6.0469 6.4506 6.4510 6.4862 6.4869 6.8642 6.8646 7.3936 7.3937 8.2586 8.2586 12.4123 12.4124 13.2167 13.2168 13.2839 13.2841 16.6988 16.6994 17.1159 17.1161 k = 0.4821 0.3196 0.3025 ( 2948 PWs) bands (ev): -12.6610 -12.6610 -11.5822 -11.5820 -11.4279 -11.4276 -10.7684 -10.7682 -10.3373 -10.3369 -8.8695 -8.8694 -0.2216 -0.2213 0.3574 0.3577 0.7351 0.7352 1.3064 1.3065 2.0355 2.0357 2.6566 2.6566 3.2153 3.2160 3.8566 3.8573 4.8103 4.8127 4.9021 4.9055 5.4616 5.4646 5.6908 5.6928 6.0418 6.0435 6.4533 6.4539 6.4827 6.4837 6.8717 6.8722 7.3921 7.3922 8.2571 8.2572 12.4165 12.4165 13.2144 13.2146 13.2824 13.2826 16.6992 16.7000 17.1195 17.1197 k = 0.4762 0.3299 0.3025 ( 2944 PWs) bands (ev): -12.6548 -12.6548 -11.5838 -11.5835 -11.4345 -11.4341 -10.7641 -10.7638 -10.3311 -10.3306 -8.8833 -8.8832 -0.2365 -0.2361 0.3993 0.3997 0.7272 0.7273 1.3134 1.3135 2.0212 2.0214 2.6480 2.6480 3.2194 3.2202 3.8688 3.8698 4.7832 4.7862 4.8477 4.8516 5.5087 5.5120 5.7112 5.7137 6.0368 6.0390 6.4568 6.4576 6.4781 6.4794 6.8822 6.8829 7.3900 7.3902 8.2550 8.2551 12.4222 12.4223 13.2112 13.2115 13.2802 13.2806 16.6999 16.7010 17.1246 17.1249 k = 0.4702 0.3402 0.3025 ( 2940 PWs) bands (ev): -12.6469 -12.6468 -11.5858 -11.5855 -11.4429 -11.4424 -10.7586 -10.7583 -10.3232 -10.3226 -8.9008 -8.9007 -0.2521 -0.2516 0.4494 0.4499 0.7171 0.7173 1.3227 1.3228 2.0036 2.0039 2.6370 2.6371 3.2234 3.2245 3.8848 3.8859 4.7505 4.7540 4.7880 4.7920 5.5594 5.5628 5.7355 5.7384 6.0308 6.0334 6.4610 6.4617 6.4727 6.4742 6.8957 6.8966 7.3873 7.3874 8.2521 8.2522 12.4297 12.4298 13.2073 13.2076 13.2775 13.2780 16.7011 16.7024 17.1311 17.1314 k = 0.4643 0.3505 0.3025 ( 2952 PWs) bands (ev): -12.6371 -12.6371 -11.5883 -11.5879 -11.4530 -11.4524 -10.7519 -10.7515 -10.3137 -10.3130 -8.9221 -8.9219 -0.2673 -0.2668 0.5062 0.5066 0.7048 0.7050 1.3343 1.3345 1.9833 1.9836 2.6240 2.6240 3.2267 3.2280 3.9046 3.9058 4.7133 4.7167 4.7251 4.7288 5.6116 5.6150 5.7625 5.7656 6.0240 6.0270 6.4640 6.4649 6.4687 6.4689 6.9122 6.9132 7.3838 7.3839 8.2482 8.2483 12.4387 12.4388 13.2024 13.2028 13.2742 13.2747 16.7029 16.7044 17.1390 17.1394 k = 0.4583 0.3608 0.3025 ( 2952 PWs) bands (ev): -12.6257 -12.6256 -11.5912 -11.5907 -11.4647 -11.4641 -10.7440 -10.7436 -10.3026 -10.3019 -8.9469 -8.9467 -0.2811 -0.2806 0.5682 0.5686 0.6904 0.6906 1.3486 1.3488 1.9609 1.9612 2.6090 2.6090 3.2288 3.2303 3.9277 3.9292 4.6579 4.6623 4.6737 4.6780 5.6641 5.6674 5.7910 5.7942 6.0168 6.0202 6.4590 6.4612 6.4710 6.4721 6.9315 6.9328 7.3796 7.3797 8.2433 8.2434 12.4494 12.4495 13.1968 13.1972 13.2703 13.2709 16.7055 16.7072 17.1483 17.1488 k = 0.4524 0.3712 0.3025 ( 2956 PWs) bands (ev): -12.6125 -12.6125 -11.5946 -11.5940 -11.4780 -11.4772 -10.7350 -10.7345 -10.2901 -10.2892 -8.9750 -8.9748 -0.2931 -0.2925 0.6343 0.6347 0.6738 0.6740 1.3658 1.3661 1.9368 1.9372 2.5922 2.5923 3.2293 3.2310 3.9537 3.9553 4.5903 4.5948 4.6314 4.6360 5.7160 5.7191 5.8198 5.8229 6.0096 6.0133 6.4529 6.4552 6.4757 6.4766 6.9537 6.9551 7.3746 7.3746 8.2370 8.2372 12.4617 12.4618 13.1903 13.1908 13.2658 13.2665 16.7091 16.7109 17.1589 17.1595 k = 0.4464 0.3815 0.3025 ( 2960 PWs) bands (ev): -12.5976 -12.5976 -11.5984 -11.5977 -11.4926 -11.4918 -10.7249 -10.7243 -10.2762 -10.2753 -9.0064 -9.0062 -0.3026 -0.3021 0.6551 0.6554 0.7034 0.7038 1.3865 1.3868 1.9115 1.9119 2.5740 2.5741 3.2280 3.2300 3.9812 3.9829 4.5211 4.5256 4.5891 4.5939 5.7662 5.7690 5.8477 5.8506 6.0030 6.0069 6.4478 6.4501 6.4804 6.4812 6.9786 6.9800 7.3686 7.3687 8.2294 8.2296 12.4755 12.4757 13.1832 13.1837 13.2607 13.2614 16.7138 16.7158 17.1709 17.1715 k = 0.4405 0.3918 0.3025 ( 2964 PWs) bands (ev): -12.5811 -12.5810 -11.6026 -11.6019 -11.5086 -11.5077 -10.7137 -10.7131 -10.2610 -10.2600 -9.0409 -9.0406 -0.3096 -0.3091 0.6345 0.6347 0.7742 0.7746 1.4112 1.4116 1.8854 1.8858 2.5546 2.5547 3.2252 3.2274 4.0082 4.0099 4.4508 4.4553 4.5488 4.5537 5.8133 5.8158 5.8733 5.8759 5.9983 6.0024 6.4446 6.4466 6.4850 6.4856 7.0059 7.0074 7.3617 7.3619 8.2200 8.2203 12.4910 12.4911 13.1753 13.1759 13.2550 13.2557 16.7200 16.7220 17.1841 17.1848 k = 0.4345 0.4021 0.3025 ( 2972 PWs) bands (ev): -12.5628 -12.5628 -11.6074 -11.6066 -11.5258 -11.5249 -10.7015 -10.7008 -10.2446 -10.2435 -9.0782 -9.0779 -0.3138 -0.3132 0.6118 0.6122 0.8455 0.8458 1.4408 1.4413 1.8589 1.8592 2.5344 2.5344 3.2208 3.2232 4.0316 4.0333 4.3797 4.3842 4.5136 4.5185 5.8544 5.8566 5.8954 5.8975 5.9979 6.0021 6.4442 6.4460 6.4894 6.4899 7.0354 7.0370 7.3537 7.3541 8.2088 8.2090 12.5079 12.5080 13.1668 13.1674 13.2486 13.2495 16.7278 16.7298 17.1984 17.1992 k = 0.4286 0.4124 0.3025 ( 2972 PWs) bands (ev): -12.5430 -12.5429 -11.6126 -11.6118 -11.5441 -11.5431 -10.6883 -10.6876 -10.2270 -10.2259 -9.1181 -9.1177 -0.3151 -0.3146 0.5874 0.5877 0.9158 0.9160 1.4762 1.4768 1.8321 1.8324 2.5135 2.5136 3.2152 3.2178 4.0470 4.0485 4.3080 4.3124 4.4878 4.4925 5.8845 5.8866 5.9127 5.9142 6.0068 6.0109 6.4478 6.4490 6.4938 6.4940 7.0670 7.0686 7.3446 7.3453 8.1955 8.1958 12.5263 12.5264 13.1577 13.1583 13.2417 13.2426 16.7374 16.7394 17.2138 17.2146 k = 0.4226 0.4227 0.3025 ( 2970 PWs) bands (ev): -12.5216 -12.5215 -11.6183 -11.6175 -11.5633 -11.5623 -10.6741 -10.6734 -10.2084 -10.2073 -9.1603 -9.1600 -0.3135 -0.3129 0.5612 0.5615 0.9833 0.9834 1.5185 1.5192 1.8054 1.8057 2.4927 2.4927 3.2088 3.2115 4.0495 4.0506 4.2358 4.2402 4.4762 4.4804 5.8988 5.9015 5.9240 5.9252 6.0293 6.0329 6.4562 6.4567 6.4981 6.4981 7.1004 7.1020 7.3345 7.3354 8.1800 8.1803 12.5462 12.5462 13.1480 13.1487 13.2341 13.2350 16.7491 16.7510 17.2300 17.2309 k = 0.4167 0.4330 0.3025 ( 2968 PWs) bands (ev): -12.4987 -12.4986 -11.6245 -11.6236 -11.5834 -11.5823 -10.6592 -10.6584 -10.1889 -10.1877 -9.2048 -9.2044 -0.3089 -0.3084 0.5333 0.5336 1.0466 1.0466 1.5688 1.5696 1.7789 1.7791 2.4722 2.4723 3.2018 3.2047 4.0358 4.0361 4.1633 4.1677 4.4817 4.4853 5.9005 5.9038 5.9286 5.9294 6.0624 6.0655 6.4695 6.4698 6.5023 6.5027 7.1353 7.1369 7.3232 7.3244 8.1620 8.1623 12.5674 12.5674 13.1379 13.1386 13.2259 13.2269 16.7629 16.7649 17.2468 17.2477 k = 0.4107 0.4433 0.3025 ( 2976 PWs) bands (ev): -12.4743 -12.4742 -11.6313 -11.6304 -11.6042 -11.6031 -10.6434 -10.6427 -10.1685 -10.1672 -9.2511 -9.2506 -0.3014 -0.3009 0.5039 0.5042 1.1043 1.1044 1.6273 1.6282 1.7527 1.7529 2.4529 2.4530 3.1947 3.1977 4.0058 4.0061 4.0906 4.0949 4.5035 4.5063 5.8954 5.8991 5.9265 5.9268 6.1001 6.1027 6.4869 6.4885 6.5069 6.5080 7.1715 7.1730 7.3108 7.3124 8.1413 8.1417 12.5898 12.5899 13.1273 13.1281 13.2171 13.2180 16.7792 16.7810 17.2638 17.2648 k = 0.4048 0.4536 0.3025 ( 2976 PWs) bands (ev): -12.4486 -12.4485 -11.6386 -11.6376 -11.6256 -11.6244 -10.6270 -10.6262 -10.1472 -10.1459 -9.2989 -9.2985 -0.2910 -0.2906 0.4730 0.4734 1.1559 1.1561 1.6937 1.6947 1.7270 1.7272 2.4357 2.4358 3.1877 3.1909 3.9629 3.9638 4.0178 4.0221 4.5378 4.5400 5.8869 5.8909 5.9179 5.9182 6.1387 6.1408 6.5058 6.5095 6.5144 6.5170 7.2088 7.2102 7.2974 7.2993 8.1179 8.1184 12.6135 12.6135 13.1165 13.1173 13.2076 13.2086 16.7979 16.7997 17.2808 17.2819 k = 0.3988 0.4639 0.3025 ( 2972 PWs) bands (ev): -12.4216 -12.4215 -11.6475 -11.6463 -11.6463 -11.6453 -10.6099 -10.6092 -10.1253 -10.1239 -9.3481 -9.3476 -0.2778 -0.2774 0.4409 0.4412 1.2016 1.2019 1.7018 1.7019 1.7665 1.7676 2.4220 2.4221 3.1812 3.1845 3.9111 3.9125 3.9451 3.9494 4.5806 4.5823 5.8765 5.8807 5.9036 5.9045 6.1761 6.1778 6.5161 6.5172 6.5391 6.5397 7.2469 7.2482 7.2830 7.2853 8.0917 8.0922 12.6383 12.6383 13.1054 13.1062 13.1975 13.1985 16.8194 16.8211 17.2973 17.2983 k = 0.3929 0.4743 0.3025 ( 2964 PWs) bands (ev): -12.3936 -12.3934 -11.6694 -11.6682 -11.6549 -11.6539 -10.5924 -10.5917 -10.1026 -10.1012 -9.3983 -9.3977 -0.2619 -0.2614 0.4076 0.4079 1.2419 1.2423 1.6773 1.6774 1.8425 1.8437 2.4141 2.4141 3.1755 3.1789 3.8534 3.8551 3.8725 3.8768 4.6286 4.6298 5.8649 5.8693 5.8852 5.8865 6.2114 6.2127 6.5241 6.5245 6.5674 6.5692 7.2672 7.2696 7.2864 7.2874 8.0627 8.0632 12.6640 12.6640 13.0941 13.0949 13.1868 13.1877 16.8437 16.8452 17.3126 17.3136 k = 0.3869 0.4846 0.3025 ( 2972 PWs) bands (ev): -12.3646 -12.3644 -11.6914 -11.6901 -11.6641 -11.6630 -10.5746 -10.5739 -10.0792 -10.0779 -9.4491 -9.4485 -0.2432 -0.2428 0.3732 0.3735 1.2778 1.2782 1.6535 1.6535 1.9174 1.9185 2.4155 2.4156 3.1706 3.1741 3.7915 3.7936 3.8003 3.8046 4.6793 4.6802 5.8522 5.8571 5.8641 5.8654 6.2436 6.2445 6.5333 6.5333 6.5976 6.6001 7.2514 7.2544 7.3253 7.3263 8.0308 8.0313 12.6905 12.6906 13.0827 13.0835 13.1753 13.1763 16.8708 16.8722 17.3260 17.3269 k = 0.3810 0.4949 0.3025 ( 2972 PWs) bands (ev): -12.3349 -12.3348 -11.7130 -11.7117 -11.6739 -11.6728 -10.5567 -10.5561 -10.0553 -10.0539 -9.5001 -9.4995 -0.2219 -0.2215 0.3378 0.3381 1.3100 1.3104 1.6304 1.6305 1.9848 1.9858 2.4315 2.4318 3.1669 3.1705 3.7266 3.7280 3.7295 3.7330 4.7309 4.7316 5.8361 5.8409 5.8439 5.8456 6.2721 6.2728 6.5443 6.5444 6.6280 6.6312 7.2351 7.2385 7.3648 7.3656 7.9961 7.9967 12.7176 12.7177 13.0714 13.0722 13.1633 13.1642 16.9008 16.9021 17.3366 17.3375 k = 0.3750 0.5052 0.3025 ( 2976 PWs) bands (ev): -12.3050 -12.3048 -11.7339 -11.7326 -11.6844 -11.6833 -10.5390 -10.5383 -10.0309 -10.0295 -9.5510 -9.5503 -0.1980 -0.1976 0.3016 0.3019 1.3391 1.3396 1.6081 1.6083 2.0377 2.0385 2.4684 2.4690 3.1644 3.1680 3.6569 3.6590 3.6626 3.6628 4.7819 4.7823 5.8135 5.8173 5.8289 5.8321 6.2965 6.2969 6.5577 6.5579 6.6573 6.6610 7.2188 7.2227 7.4044 7.4050 7.9589 7.9595 12.7452 12.7453 13.0603 13.0611 13.1506 13.1515 16.9338 16.9350 17.3436 17.3443 k = 0.3690 0.5155 0.3025 ( 2976 PWs) bands (ev): -12.2754 -12.2752 -11.7535 -11.7522 -11.6957 -11.6946 -10.5216 -10.5210 -10.0060 -10.0046 -9.6012 -9.6004 -0.1717 -0.1713 0.2647 0.2649 1.3658 1.3663 1.5868 1.5871 2.0723 2.0728 2.5295 2.5303 3.1633 3.1669 3.5862 3.5893 3.5937 3.5950 4.8308 4.8311 5.7899 5.7936 5.8153 5.8187 6.3164 6.3166 6.5738 6.5740 6.6841 6.6881 7.2034 7.2075 7.4439 7.4443 7.9194 7.9200 12.7728 12.7729 13.0496 13.0504 13.1372 13.1381 16.9698 16.9708 17.3453 17.3460 k = 0.3631 0.5258 0.3025 ( 2984 PWs) bands (ev): -12.2467 -12.2465 -11.7710 -11.7697 -11.7077 -11.7067 -10.5051 -10.5046 -9.9807 -9.9792 -9.6502 -9.6493 -0.1430 -0.1427 0.2271 0.2273 1.3903 1.3908 1.5664 1.5668 2.0907 2.0910 2.6120 2.6131 3.1635 3.1672 3.5163 3.5196 3.5246 3.5262 4.8762 4.8763 5.7678 5.7716 5.8018 5.8053 6.3320 6.3321 6.5925 6.5926 6.7068 6.7110 7.1894 7.1937 7.4831 7.4834 7.8779 7.8786 12.8000 12.8001 13.0398 13.0405 13.1232 13.1241 17.0088 17.0096 17.3390 17.3396 k = 0.3571 0.5361 0.3025 ( 2980 PWs) bands (ev): -12.2200 -12.2198 -11.7855 -11.7841 -11.7207 -11.7196 -10.4899 -10.4894 -9.9549 -9.9535 -9.6972 -9.6963 -0.1121 -0.1118 0.1889 0.1891 1.4127 1.4133 1.5471 1.5476 2.0982 2.0983 2.7103 2.7116 3.1651 3.1688 3.4472 3.4505 3.4552 3.4568 4.9165 4.9165 5.7490 5.7529 5.7884 5.7918 6.3436 6.3436 6.6133 6.6133 6.7238 6.7280 7.1780 7.1822 7.5220 7.5221 7.8353 7.8358 12.8260 12.8262 13.0314 13.0322 13.1086 13.1094 17.0506 17.0513 17.3223 17.3231 k = 0.3512 0.5464 0.3025 ( 2976 PWs) bands (ev): -12.1968 -12.1966 -11.7954 -11.7941 -11.7345 -11.7334 -10.4765 -10.4762 -9.9288 -9.9274 -9.7416 -9.7405 -0.0790 -0.0787 0.1502 0.1504 1.4332 1.4339 1.5290 1.5296 2.0997 2.0998 2.8192 2.8207 3.1680 3.1719 3.3793 3.3822 3.3857 3.3872 4.9499 4.9500 5.7350 5.7389 5.7750 5.7784 6.3517 6.3517 6.6355 6.6357 6.7335 6.7373 7.1698 7.1736 7.5602 7.5604 7.7921 7.7925 12.8496 12.8497 13.0257 13.0265 13.0933 13.0941 17.0952 17.0957 17.3031 17.3044 k = 0.3452 0.5567 0.3025 ( 2986 PWs) bands (ev): -12.1785 -12.1783 -11.7991 -11.7978 -11.7493 -11.7482 -10.4659 -10.4656 -9.9025 -9.9010 -9.7824 -9.7812 -0.0438 -0.0436 0.1112 0.1113 1.4517 1.4524 1.5122 1.5129 2.0987 2.0987 2.9350 2.9366 3.1723 3.1763 3.3125 3.3140 3.3173 3.3175 4.9751 4.9752 5.7273 5.7314 5.7619 5.7651 6.3568 6.3569 6.6587 6.6591 6.7343 6.7374 7.1654 7.1683 7.5977 7.5980 7.7493 7.7495 12.8687 12.8688 13.0245 13.0252 13.0774 13.0781 17.1424 17.1427 17.2821 17.2836 k = 0.3393 0.5670 0.3025 ( 2986 PWs) bands (ev): -12.1669 -12.1668 -11.7949 -11.7938 -11.7651 -11.7640 -10.4588 -10.4586 -9.8758 -9.8743 -9.8185 -9.8172 -0.0067 -0.0065 0.0718 0.0720 1.4682 1.4689 1.4967 1.4974 2.0972 2.0972 3.0553 3.0571 3.1776 3.1819 3.2449 3.2468 3.2487 3.2514 4.9906 4.9907 5.7270 5.7313 5.7494 5.7521 6.3597 6.3597 6.6822 6.6828 6.7257 6.7279 7.1643 7.1659 7.6344 7.6349 7.7082 7.7084 12.8810 12.8811 13.0301 13.0308 13.0609 13.0615 17.1914 17.1917 17.2604 17.2623 k = 0.3333 0.5774 0.3025 ( 2982 PWs) bands (ev): -12.1629 -12.1629 -11.7825 -11.7815 -11.7815 -11.7803 -10.4561 -10.4561 -9.8497 -9.8480 -9.8480 -9.8467 0.0318 0.0320 0.0326 0.0326 1.4821 1.4830 1.4830 1.4838 2.0965 2.0965 3.1723 3.1740 3.1740 3.1756 3.1898 3.1898 3.1914 3.1914 4.9958 4.9958 5.7317 5.7385 5.7405 5.7405 6.3605 6.3605 6.7019 6.7019 6.7114 6.7131 7.1650 7.1650 7.6697 7.6707 7.6707 7.6712 12.8851 12.8851 13.0436 13.0439 13.0439 13.0448 17.2283 17.2284 17.2491 17.2491 k = 0.3333 0.5774 0.3025 ( 2982 PWs) bands (ev): -12.1629 -12.1629 -11.7825 -11.7815 -11.7815 -11.7803 -10.4561 -10.4561 -9.8497 -9.8480 -9.8480 -9.8467 0.0318 0.0320 0.0326 0.0326 1.4821 1.4830 1.4830 1.4838 2.0965 2.0965 3.1723 3.1740 3.1740 3.1756 3.1898 3.1898 3.1914 3.1914 4.9958 4.9958 5.7317 5.7385 5.7405 5.7405 6.3605 6.3605 6.7019 6.7019 6.7114 6.7131 7.1650 7.1650 7.6697 7.6707 7.6707 7.6712 12.8851 12.8851 13.0436 13.0439 13.0439 13.0448 17.2283 17.2284 17.2491 17.2491 k = 0.3273 0.5669 0.3025 ( 2982 PWs) bands (ev): -12.1668 -12.1667 -11.8003 -11.7993 -11.7597 -11.7587 -10.4591 -10.4590 -9.8728 -9.8712 -9.8212 -9.8198 -0.0084 -0.0082 0.0735 0.0736 1.4697 1.4706 1.4950 1.4959 2.0974 2.0974 3.1050 3.1066 3.1198 3.1236 3.1940 3.1972 3.3075 3.3098 4.9906 4.9907 5.7234 5.7273 5.7533 5.7558 6.3597 6.3598 6.6773 6.6780 6.7310 6.7324 7.1633 7.1652 7.6369 7.6384 7.7056 7.7066 12.8815 12.8815 13.0256 13.0262 13.0649 13.0655 17.2092 17.2108 17.2210 17.2231 k = 0.3212 0.5564 0.3025 ( 2990 PWs) bands (ev): -12.1777 -12.1775 -11.8199 -11.8188 -11.7292 -11.7284 -10.4683 -10.4681 -9.8888 -9.8871 -9.7934 -9.7920 -0.0490 -0.0489 0.1164 0.1164 1.4585 1.4595 1.5051 1.5062 2.1005 2.1005 3.0353 3.0370 3.0590 3.0627 3.2028 3.2063 3.4363 3.4388 4.9756 4.9759 5.7126 5.7159 5.7765 5.7791 6.3575 6.3575 6.6394 6.6412 6.7543 6.7559 7.1582 7.1619 7.6113 7.6136 7.7398 7.7410 12.8722 12.8723 13.0069 13.0074 13.0914 13.0918 17.1819 17.1842 17.1883 17.1907 k = 0.3152 0.5459 0.3025 ( 2986 PWs) bands (ev): -12.1941 -12.1938 -11.8407 -11.8397 -11.6920 -11.6913 -10.4838 -10.4835 -9.8967 -9.8950 -9.7655 -9.7640 -0.0897 -0.0896 0.1606 0.1607 1.4490 1.4501 1.5132 1.5144 2.1059 2.1059 2.9661 2.9680 3.0006 3.0042 3.2126 3.2162 3.5656 3.5682 4.9524 4.9529 5.7027 5.7057 5.8052 5.8077 6.3540 6.3541 6.5938 6.5968 6.7771 6.7789 7.1475 7.1531 7.5951 7.5982 7.7729 7.7742 12.8590 12.8591 12.9876 12.9880 13.1212 13.1215 17.1439 17.1469 17.1634 17.1657 k = 0.3091 0.5354 0.3025 ( 2978 PWs) bands (ev): -12.2146 -12.2142 -11.8629 -11.8619 -11.6494 -11.6487 -10.5051 -10.5047 -9.8969 -9.8951 -9.7374 -9.7360 -0.1303 -0.1303 0.2061 0.2062 1.4412 1.4424 1.5193 1.5205 2.1136 2.1137 2.8978 2.8996 2.9448 2.9484 3.2231 3.2267 3.6945 3.6973 4.9225 4.9231 5.6941 5.6969 5.8372 5.8395 6.3494 6.3495 6.5419 6.5458 6.7993 6.8011 7.1305 7.1374 7.5891 7.5929 7.8046 7.8062 12.8430 12.8431 12.9676 12.9679 13.1531 13.1533 17.1018 17.1052 17.1405 17.1430 k = 0.3030 0.5249 0.3025 ( 2978 PWs) bands (ev): -12.2382 -12.2377 -11.8864 -11.8854 -11.6025 -11.6019 -10.5315 -10.5310 -9.8900 -9.8882 -9.7093 -9.7079 -0.1709 -0.1709 0.2524 0.2526 1.4352 1.4365 1.5236 1.5250 2.1233 2.1235 2.8303 2.8322 2.8923 2.8958 3.2340 3.2377 3.8222 3.8252 4.8872 4.8879 5.6874 5.6899 5.8703 5.8724 6.3438 6.3438 6.4849 6.4897 6.8206 6.8226 7.1075 7.1154 7.5926 7.5968 7.8349 7.8367 12.8247 12.8248 12.9470 12.9473 13.1865 13.1865 17.0571 17.0609 17.1189 17.1215 k = 0.2970 0.5144 0.3025 ( 2974 PWs) bands (ev): -12.2639 -12.2635 -11.9114 -11.9104 -11.5521 -11.5516 -10.5617 -10.5612 -9.8771 -9.8753 -9.6811 -9.6797 -0.2113 -0.2113 0.2995 0.2997 1.4310 1.4323 1.5265 1.5280 2.1348 2.1349 2.7639 2.7658 2.8433 2.8468 3.2450 3.2488 3.9479 3.9513 4.8479 4.8487 5.6830 5.6851 5.9019 5.9038 6.3371 6.3372 6.4247 6.4301 6.8410 6.8433 7.0803 7.0888 7.6040 7.6083 7.8638 7.8657 12.8045 12.8045 12.9258 12.9260 13.2207 13.2209 17.0101 17.0142 17.0988 17.1016 k = 0.2909 0.5039 0.3025 ( 2974 PWs) bands (ev): -12.2913 -12.2908 -11.9378 -11.9368 -11.4988 -11.4984 -10.5946 -10.5941 -9.8593 -9.8574 -9.6530 -9.6516 -0.2514 -0.2514 0.3469 0.3473 1.4286 1.4300 1.5284 1.5300 2.1474 2.1476 2.6987 2.7005 2.7986 2.8019 3.2560 3.2599 4.0708 4.0745 4.8055 4.8064 5.6814 5.6832 5.9287 5.9304 6.3293 6.3295 6.3641 6.3696 6.8607 6.8630 7.0506 7.0593 7.6214 7.6257 7.8912 7.8932 12.7824 12.7825 12.9039 12.9040 13.2558 13.2561 16.9611 16.9655 17.0803 17.0833 k = 0.2848 0.4934 0.3025 ( 2970 PWs) bands (ev): -12.3199 -12.3194 -11.9656 -11.9647 -11.4432 -11.4428 -10.6292 -10.6288 -9.8374 -9.8356 -9.6248 -9.6234 -0.2913 -0.2913 0.3944 0.3948 1.4279 1.4295 1.5296 1.5314 2.1606 2.1608 2.6347 2.6365 2.7586 2.7619 3.2665 3.2705 4.1899 4.1940 4.7609 4.7618 5.6833 5.6847 5.9456 5.9475 6.3063 6.3126 6.3211 6.3218 6.8796 6.8821 7.0203 7.0291 7.6430 7.6472 7.9170 7.9192 12.7587 12.7588 12.8814 12.8814 13.2915 13.2920 16.9103 16.9150 17.0637 17.0669 k = 0.2788 0.4829 0.3025 ( 2962 PWs) bands (ev): -12.3494 -12.3489 -11.9949 -11.9940 -11.3854 -11.3850 -10.6648 -10.6644 -9.8123 -9.8105 -9.5967 -9.5953 -0.3307 -0.3307 0.4415 0.4420 1.4291 1.4307 1.5306 1.5326 2.1736 2.1738 2.5721 2.5739 2.7241 2.7273 3.2763 3.2803 4.3041 4.3086 4.7145 4.7155 5.6897 5.6907 5.9452 5.9477 6.2613 6.2666 6.3115 6.3118 6.8978 6.9003 6.9909 6.9995 7.6674 7.6715 7.9412 7.9435 12.7333 12.7335 12.8581 12.8581 13.3277 13.3284 16.8578 16.8627 17.0492 17.0525 k = 0.2727 0.4724 0.3025 ( 2970 PWs) bands (ev): -12.3795 -12.3790 -12.0256 -12.0247 -11.3258 -11.3254 -10.7006 -10.7002 -9.7846 -9.7829 -9.5687 -9.5674 -0.3697 -0.3697 0.4876 0.4883 1.4319 1.4336 1.5319 1.5340 2.1858 2.1860 2.5110 2.5129 2.6958 2.6988 3.2850 3.2890 4.4121 4.4171 4.6671 4.6681 5.7014 5.7019 5.9198 5.9235 6.2343 6.2383 6.3010 6.3013 6.9153 6.9179 6.9637 6.9719 7.6937 7.6976 7.9637 7.9662 12.7063 12.7065 12.8340 12.8342 13.3645 13.3654 16.8037 16.8089 17.0367 17.0402 k = 0.2667 0.4619 0.3025 ( 2962 PWs) bands (ev): -12.4101 -12.4095 -12.0576 -12.0568 -11.2645 -11.2642 -10.7362 -10.7358 -9.7548 -9.7531 -9.5408 -9.5395 -0.4082 -0.4081 0.5323 0.5331 1.4362 1.4380 1.5341 1.5364 2.1965 2.1966 2.4516 2.4535 2.6743 2.6772 3.2920 3.2962 4.5126 4.5180 4.6190 4.6201 5.7194 5.7194 5.8696 5.8744 6.2257 6.2282 6.2895 6.2899 6.9321 6.9347 6.9398 6.9476 7.7211 7.7249 7.9847 7.9872 12.6777 12.6779 12.8093 12.8095 13.4017 13.4028 16.7484 16.7537 17.0264 17.0301 k = 0.2606 0.4514 0.3025 ( 2962 PWs) bands (ev): -12.4410 -12.4404 -12.0910 -12.0902 -11.2017 -11.2014 -10.7711 -10.7707 -9.7233 -9.7217 -9.5131 -9.5117 -0.4460 -0.4460 0.5749 0.5758 1.4420 1.4439 1.5377 1.5401 2.2053 2.2053 2.3940 2.3959 2.6602 2.6630 3.2969 3.3012 4.5694 4.5707 4.6054 4.6111 5.7442 5.7446 5.8020 5.8077 6.2280 6.2293 6.2771 6.2776 6.9197 6.9268 6.9488 6.9517 7.7491 7.7529 8.0039 8.0065 12.6475 12.6478 12.7837 12.7840 13.4394 13.4407 16.6918 16.6973 17.0183 17.0222 k = 0.2545 0.4409 0.3025 ( 2966 PWs) bands (ev): -12.4721 -12.4715 -12.1257 -12.1249 -11.1376 -11.1373 -10.8051 -10.8048 -9.6905 -9.6889 -9.4855 -9.4842 -0.4832 -0.4831 0.6146 0.6156 1.4491 1.4510 1.5434 1.5459 2.2119 2.2120 2.3385 2.3405 2.6537 2.6562 3.2993 3.3036 4.5215 4.5227 4.6865 4.6928 5.7230 5.7291 5.7789 5.7796 6.2335 6.2338 6.2639 6.2646 6.9048 6.9114 6.9650 6.9678 7.7774 7.7811 8.0215 8.0241 12.6158 12.6162 12.7573 12.7577 13.4774 13.4790 16.6344 16.6400 17.0125 17.0165 k = 0.2485 0.4304 0.3025 ( 2962 PWs) bands (ev): -12.5033 -12.5027 -12.1615 -12.1607 -11.0722 -11.0720 -10.8380 -10.8377 -9.6565 -9.6549 -9.4581 -9.4568 -0.5196 -0.5195 0.6507 0.6517 1.4571 1.4592 1.5518 1.5544 2.2167 2.2170 2.2853 2.2873 2.6544 2.6567 3.2983 3.3027 4.4734 4.4746 4.7573 4.7640 5.6404 5.6470 5.8205 5.8216 6.2368 6.2373 6.2503 6.2511 6.8954 6.9014 6.9810 6.9838 7.8057 7.8094 8.0375 8.0402 12.5827 12.5831 12.7300 12.7305 13.5159 13.5176 16.5763 16.5820 17.0089 17.0130 k = 0.2424 0.4199 0.3025 ( 2962 PWs) bands (ev): -12.5344 -12.5339 -12.1984 -12.1976 -11.0058 -11.0056 -10.8697 -10.8694 -9.6216 -9.6201 -9.4309 -9.4296 -0.5551 -0.5550 0.6822 0.6833 1.4658 1.4680 1.5636 1.5663 2.2205 2.2209 2.2348 2.2368 2.6618 2.6638 3.2933 3.2978 4.4259 4.4271 4.8170 4.8240 5.5555 5.5623 5.8708 5.8722 6.2331 6.2339 6.2391 6.2406 6.8918 6.8971 6.9971 6.9998 7.8339 7.8376 8.0518 8.0545 12.5481 12.5486 12.7018 12.7023 13.5547 13.5567 16.5178 16.5235 17.0074 17.0117 k = 0.2364 0.4094 0.3025 ( 2958 PWs) bands (ev): -12.5655 -12.5650 -12.2362 -12.2355 -10.9384 -10.9382 -10.9001 -10.8998 -9.5860 -9.5846 -9.4039 -9.4027 -0.5898 -0.5896 0.7085 0.7096 1.4748 1.4770 1.5793 1.5821 2.1872 2.1893 2.2242 2.2248 2.6750 2.6768 3.2837 3.2883 4.3794 4.3806 4.8658 4.8730 5.4705 5.4774 5.9280 5.9294 6.2204 6.2216 6.2324 6.2346 6.8938 6.8985 7.0133 7.0159 7.8618 7.8656 8.0646 8.0673 12.5122 12.5128 12.6725 12.6731 13.5939 13.5961 16.4592 16.4650 17.0081 17.0125 k = 0.2303 0.3989 0.3025 ( 2960 PWs) bands (ev): -12.5965 -12.5960 -12.2749 -12.2742 -10.9292 -10.9289 -10.8701 -10.8699 -9.5499 -9.5484 -9.3773 -9.3761 -0.6234 -0.6233 0.7290 0.7301 1.4835 1.4858 1.5996 1.6024 2.1432 2.1453 2.2287 2.2295 2.6929 2.6946 3.2685 3.2731 4.3342 4.3355 4.9049 4.9122 5.3870 5.3940 5.9885 5.9895 6.2092 6.2108 6.2217 6.2245 6.9009 6.9051 7.0299 7.0325 7.8894 7.8932 8.0759 8.0786 12.4750 12.4756 12.6421 12.6428 13.6334 13.6359 16.4008 16.4065 17.0108 17.0154 k = 0.2242 0.3884 0.3025 ( 2956 PWs) bands (ev): -12.6273 -12.6268 -12.3142 -12.3135 -10.9568 -10.9565 -10.8010 -10.8008 -9.5133 -9.5119 -9.3509 -9.3497 -0.6560 -0.6559 0.7432 0.7443 1.4913 1.4937 1.6244 1.6272 2.1032 2.1054 2.2351 2.2361 2.7148 2.7163 3.2470 3.2517 4.2907 4.2920 4.9356 4.9428 5.3062 5.3132 6.0437 6.0441 6.2054 6.2072 6.2079 6.2118 6.9123 6.9162 7.0471 7.0496 7.9165 7.9204 8.0858 8.0884 12.4365 12.4373 12.6106 12.6113 13.6733 13.6760 16.3429 16.3486 17.0156 17.0203 k = 0.2182 0.3779 0.3025 ( 2948 PWs) bands (ev): -12.6578 -12.6573 -12.3541 -12.3534 -10.9832 -10.9829 -10.7313 -10.7311 -9.4763 -9.4750 -9.3248 -9.3236 -0.6875 -0.6874 0.7511 0.7522 1.4974 1.4998 1.6539 1.6566 2.0682 2.0703 2.2442 2.2453 2.7398 2.7411 3.2186 3.2233 4.2491 4.2504 4.9593 4.9664 5.2292 5.2363 6.0762 6.0765 6.1864 6.1898 6.2296 6.2329 6.9272 6.9307 7.0653 7.0676 7.9433 7.9473 8.0944 8.0969 12.3970 12.3979 12.5778 12.5786 13.7135 13.7164 16.2858 16.2914 17.0222 17.0270 k = 0.2121 0.3674 0.3025 ( 2948 PWs) bands (ev): -12.6880 -12.6875 -12.3943 -12.3937 -11.0082 -11.0079 -10.6610 -10.6608 -9.4392 -9.4379 -9.2990 -9.2979 -0.7178 -0.7177 0.7529 0.7539 1.5007 1.5032 1.6877 1.6902 2.0388 2.0409 2.2567 2.2580 2.7672 2.7683 3.1825 3.1872 4.2096 4.2109 4.9774 4.9844 5.1570 5.1640 6.0785 6.0787 6.1632 6.1669 6.2825 6.2856 6.9446 6.9479 7.0846 7.0869 7.9696 7.9738 8.1018 8.1041 12.3565 12.3575 12.5437 12.5445 13.7540 13.7571 16.2298 16.2353 17.0307 17.0356 k = 0.2061 0.3569 0.3025 ( 2944 PWs) bands (ev): -12.7179 -12.7174 -12.4349 -12.4343 -11.0319 -11.0317 -10.5904 -10.5902 -9.4020 -9.4007 -9.2736 -9.2725 -0.7469 -0.7467 0.7491 0.7499 1.5005 1.5030 1.7251 1.7274 2.0160 2.0181 2.2732 2.2746 2.7964 2.7974 3.1384 3.1431 4.1723 4.1736 4.9913 4.9980 5.0902 5.0971 6.0638 6.0639 6.1372 6.1411 6.3507 6.3534 6.9636 6.9667 7.1055 7.1076 7.9955 7.9998 8.1081 8.1103 12.3151 12.3161 12.5082 12.5091 13.7947 13.7980 16.1753 16.1807 17.0409 17.0458 k = 0.2000 0.3464 0.3025 ( 2948 PWs) bands (ev): -12.7473 -12.7469 -12.4755 -12.4750 -11.0545 -11.0542 -10.5194 -10.5192 -9.3647 -9.3635 -9.2485 -9.2474 -0.7746 -0.7744 0.7401 0.7408 1.4959 1.4982 1.7654 1.7674 2.0005 2.0024 2.2939 2.2955 2.8272 2.8281 3.0863 3.0908 4.1371 4.1385 5.0018 5.0082 5.0296 5.0365 6.0414 6.0418 6.1089 6.1130 6.4229 6.4252 6.9835 6.9865 7.1283 7.1302 8.0209 8.0255 8.1135 8.1155 12.2728 12.2740 12.4713 12.4722 13.8357 13.8392 16.1224 16.1277 17.0526 17.0576 k = 0.1939 0.3359 0.3025 ( 2946 PWs) bands (ev): -12.7763 -12.7759 -12.5162 -12.5157 -11.0758 -11.0756 -10.4482 -10.4480 -9.3275 -9.3263 -9.2238 -9.2227 -0.8010 -0.8008 0.7266 0.7272 1.4863 1.4886 1.8077 1.8096 1.9925 1.9943 2.3192 2.3209 2.8592 2.8599 3.0262 3.0305 4.1039 4.1053 4.9749 4.9812 5.0106 5.0170 6.0149 6.0155 6.0789 6.0831 6.4942 6.4962 7.0037 7.0067 7.1533 7.1550 8.0460 8.0508 8.1183 8.1200 12.2299 12.2311 12.4329 12.4339 13.8769 13.8806 16.0716 16.0768 17.0658 17.0710 k = 0.1879 0.3254 0.3025 ( 2946 PWs) bands (ev): -12.8049 -12.8044 -12.5567 -12.5562 -11.0961 -11.0958 -10.3770 -10.3768 -9.2905 -9.2893 -9.1994 -9.1983 -0.8259 -0.8257 0.7094 0.7099 1.4718 1.4739 1.8515 1.8531 1.9919 1.9935 2.3492 2.3511 2.8920 2.8928 2.9587 2.9627 4.0725 4.0739 4.9274 4.9335 5.0172 5.0233 5.9856 5.9863 6.0477 6.0519 6.5622 6.5639 7.0238 7.0268 7.1809 7.1823 8.0707 8.0757 8.1227 8.1241 12.1864 12.1877 12.3930 12.3940 13.9183 13.9221 16.0231 16.0281 17.0804 17.0856 k = 0.1818 0.3149 0.3025 ( 2942 PWs) bands (ev): -12.8329 -12.8324 -12.5969 -12.5965 -11.1153 -11.1151 -10.3059 -10.3057 -9.2537 -9.2526 -9.1753 -9.1743 -0.8493 -0.8490 0.6891 0.6895 1.4528 1.4547 1.8958 1.8972 1.9981 1.9994 2.3838 2.3859 2.8836 2.8878 2.9264 2.9267 4.0425 4.0439 4.8863 4.8922 5.0227 5.0286 5.9539 5.9547 6.0156 6.0199 6.6254 6.6267 7.0433 7.0463 7.2111 7.2122 8.0950 8.1003 8.1271 8.1280 12.1424 12.1438 12.3516 12.3526 13.9599 13.9639 15.9771 15.9819 17.0963 17.1015 k = 0.1758 0.3044 0.3025 ( 2946 PWs) bands (ev): -12.8603 -12.8599 -12.6368 -12.6363 -11.1335 -11.1333 -10.2350 -10.2348 -9.2173 -9.2162 -9.1516 -9.1507 -0.8711 -0.8709 0.6663 0.6666 1.4299 1.4316 1.9402 1.9413 2.0099 2.0109 2.4230 2.4251 2.8035 2.8073 2.9608 2.9612 4.0137 4.0151 4.8517 4.8573 5.0276 5.0332 5.9201 5.9211 5.9829 5.9872 6.6826 6.6837 7.0619 7.0649 7.2437 7.2444 8.1186 8.1244 8.1320 8.1322 12.0980 12.0995 12.3087 12.3097 14.0016 14.0057 15.9338 15.9384 17.1133 17.1185 k = 0.1697 0.2939 0.3025 ( 2950 PWs) bands (ev): -12.8872 -12.8867 -12.6761 -12.6757 -11.1508 -11.1505 -10.1645 -10.1644 -9.1812 -9.1801 -9.1283 -9.1273 -0.8913 -0.8910 0.6416 0.6417 1.4039 1.4054 1.9843 1.9852 2.0261 2.0268 2.4662 2.4685 2.7184 2.7220 2.9962 2.9965 3.9858 3.9873 4.8232 4.8285 5.0321 5.0375 5.8845 5.8856 5.9499 5.9542 6.7337 6.7345 7.0793 7.0824 7.2783 7.2785 8.1348 8.1362 8.1447 8.1488 12.0534 12.0549 12.2643 12.2654 14.0434 14.0476 15.8934 15.8978 17.1313 17.1365 k = 0.1636 0.2834 0.3025 ( 2946 PWs) bands (ev): -12.9134 -12.9130 -12.7148 -12.7144 -11.1672 -11.1669 -10.0946 -10.0945 -9.1456 -9.1446 -9.1052 -9.1043 -0.9098 -0.9095 0.6154 0.6154 1.3756 1.3769 2.0279 2.0286 2.0453 2.0457 2.5130 2.5153 2.6302 2.6334 3.0325 3.0327 3.9587 3.9602 4.8003 4.8053 5.0365 5.0416 5.8473 5.8485 5.9168 5.9210 6.7785 6.7791 7.0955 7.0986 7.3137 7.3140 8.1417 8.1418 8.1674 8.1724 12.0086 12.0103 12.2185 12.2196 14.0853 14.0896 15.8560 15.8602 17.1502 17.1554 k = 0.1576 0.2729 0.3025 ( 2934 PWs) bands (ev): -12.9389 -12.9385 -12.7528 -12.7524 -11.1827 -11.1825 -10.0255 -10.0253 -9.1106 -9.1096 -9.0825 -9.0816 -0.9266 -0.9263 0.5881 0.5881 1.3455 1.3466 2.0649 2.0652 2.0712 2.0718 2.5407 2.5427 2.5629 2.5661 3.0697 3.0699 3.9324 3.9339 4.7825 4.7871 5.0409 5.0458 5.8085 5.8098 5.8838 5.8880 6.8175 6.8179 7.1102 7.1134 7.3487 7.3496 8.1489 8.1495 8.1906 8.1959 11.9639 11.9656 12.1714 12.1725 14.1273 14.1316 15.8218 15.8258 17.1698 17.1750 k = 0.1515 0.2624 0.3025 ( 2942 PWs) bands (ev): -12.9637 -12.9634 -12.7900 -12.7896 -11.1974 -11.1972 -9.9573 -9.9571 -9.0761 -9.0752 -9.0600 -9.0592 -0.9415 -0.9412 0.5601 0.5601 1.3139 1.3149 2.0827 2.0829 2.1134 2.1138 2.4538 2.4559 2.6147 2.6173 3.1080 3.1082 3.9067 3.9082 4.7691 4.7735 5.0455 5.0501 5.7684 5.7698 5.8510 5.8551 6.8513 6.8515 7.1233 7.1265 7.3823 7.3838 8.1577 8.1590 8.2137 8.2192 11.9193 11.9211 12.1231 12.1242 14.1692 14.1736 15.7908 15.7946 17.1901 17.1952 k = 0.1455 0.2519 0.3025 ( 2946 PWs) bands (ev): -12.9879 -12.9875 -12.8263 -12.8259 -11.2114 -11.2111 -9.8902 -9.8901 -9.0424 -9.0415 -9.0378 -9.0369 -0.9546 -0.9544 0.5316 0.5317 1.2813 1.2822 2.0909 2.0918 2.1553 2.1556 2.3764 2.3778 2.6680 2.6704 3.1477 3.1479 3.8817 3.8832 4.7596 4.7637 5.0502 5.0545 5.7271 5.7285 5.8185 5.8226 6.8805 6.8807 7.1348 7.1381 7.4131 7.4153 8.1690 8.1709 8.2365 8.2421 11.8749 11.8767 12.0738 12.0749 14.2110 14.2155 15.7630 15.7666 17.2109 17.2160 k = 0.1394 0.2414 0.3025 ( 2950 PWs) bands (ev): -13.0112 -13.0109 -12.8616 -12.8612 -11.2246 -11.2244 -9.8245 -9.8244 -9.0157 -9.0149 -9.0094 -9.0085 -0.9658 -0.9655 0.5031 0.5032 1.2476 1.2484 2.0763 2.0781 2.1967 2.1969 2.3227 2.3232 2.7217 2.7240 3.1889 3.1891 3.8575 3.8590 4.7534 4.7572 5.0550 5.0590 5.6849 5.6864 5.7865 5.7906 6.9060 6.9060 7.1447 7.1480 7.4400 7.4428 8.1829 8.1855 8.2592 8.2649 11.8309 11.8328 12.0236 12.0247 14.2527 14.2572 15.7385 15.7419 17.2321 17.2371 k = 0.1333 0.2309 0.3025 ( 2952 PWs) bands (ev): -13.0338 -13.0335 -12.8958 -12.8955 -11.2371 -11.2369 -9.7604 -9.7603 -8.9938 -8.9930 -8.9772 -8.9764 -0.9751 -0.9748 0.4746 0.4748 1.2128 1.2136 2.0273 2.0297 2.2377 2.2379 2.3046 2.3049 2.7752 2.7773 3.2318 3.2321 3.8341 3.8357 4.7500 4.7536 5.0599 5.0636 5.6420 5.6435 5.7552 5.7591 6.9283 6.9284 7.1529 7.1562 7.4621 7.4655 8.1997 8.2030 8.2816 8.2873 11.7874 11.7893 11.9727 11.9738 14.2943 14.2988 15.7172 15.7204 17.2536 17.2585 k = 0.1273 0.2204 0.3025 ( 2950 PWs) bands (ev): -13.0555 -13.0552 -12.9289 -12.9286 -11.2489 -11.2488 -9.6981 -9.6980 -8.9719 -8.9712 -8.9460 -8.9451 -0.9823 -0.9820 0.4465 0.4467 1.1768 1.1775 1.9529 1.9554 2.2783 2.2785 2.3140 2.3144 2.8277 2.8296 3.2767 3.2771 3.8116 3.8132 4.7489 4.7522 5.0646 5.0681 5.5988 5.6003 5.7245 5.7283 6.9479 6.9481 7.1595 7.1627 7.4788 7.4829 8.2193 8.2231 8.3038 8.3095 11.7445 11.7464 11.9215 11.9225 14.3356 14.3401 15.6990 15.7020 17.2752 17.2799 k = 0.1212 0.2099 0.3025 ( 2956 PWs) bands (ev): -13.0764 -13.0761 -12.9609 -12.9606 -11.2601 -11.2600 -9.6379 -9.6378 -8.9500 -8.9493 -8.9156 -8.9149 -0.9875 -0.9872 0.4189 0.4191 1.1390 1.1397 1.8679 1.8703 2.3185 2.3187 2.3370 2.3375 2.8787 2.8803 3.3235 3.3240 3.7902 3.7917 4.7495 4.7527 5.0690 5.0722 5.5558 5.5572 5.6945 5.6983 6.9654 6.9657 7.1645 7.1677 7.4901 7.4946 8.2416 8.2458 8.3257 8.3314 11.7023 11.7043 11.8700 11.8710 14.3765 14.3810 15.6839 15.6866 17.2967 17.3013 k = 0.1152 0.1994 0.3025 ( 2956 PWs) bands (ev): -13.0965 -13.0962 -12.9916 -12.9913 -11.2707 -11.2705 -9.5800 -9.5799 -8.9281 -8.9274 -8.8863 -8.8856 -0.9906 -0.9903 0.3919 0.3922 1.0991 1.0997 1.7805 1.7827 2.3583 2.3585 2.3661 2.3666 2.9277 2.9291 3.3722 3.3729 3.7698 3.7713 4.7517 4.7547 5.0726 5.0755 5.5134 5.5148 5.6655 5.6692 6.9810 6.9815 7.1680 7.1710 7.4959 7.5008 8.2660 8.2705 8.3472 8.3529 11.6611 11.6631 11.8186 11.8196 14.4171 14.4215 15.6716 15.6741 17.3182 17.3226 k = 0.1091 0.1890 0.3025 ( 2952 PWs) bands (ev): -13.1156 -13.1154 -13.0210 -13.0207 -11.2807 -11.2805 -9.5247 -9.5247 -8.9060 -8.9054 -8.8581 -8.8574 -0.9916 -0.9912 0.3657 0.3660 1.0563 1.0569 1.6948 1.6968 2.3971 2.3975 2.3984 2.3989 2.9747 2.9758 3.4225 3.4234 3.7504 3.7519 4.7550 4.7578 5.0749 5.0774 5.4724 5.4737 5.6374 5.6410 6.9952 6.9957 7.1700 7.1729 7.4968 7.5019 8.2920 8.2968 8.3685 8.3740 11.6209 11.6230 11.7676 11.7686 14.4571 14.4615 15.6621 15.6644 17.3393 17.3436 k = 0.1030 0.1785 0.3025 ( 2956 PWs) bands (ev): -13.1339 -13.1336 -13.0490 -13.0488 -11.2900 -11.2899 -9.4723 -9.4723 -8.8837 -8.8831 -8.8311 -8.8304 -0.9904 -0.9900 0.3404 0.3407 1.0098 1.0104 1.6135 1.6153 2.4315 2.4317 2.4361 2.4362 3.0197 3.0205 3.4741 3.4751 3.7323 3.7337 4.7591 4.7617 5.0751 5.0773 5.4338 5.4349 5.6103 5.6138 7.0080 7.0086 7.1706 7.1735 7.4931 7.4983 8.3189 8.3238 8.3892 8.3946 11.5819 11.5839 11.7172 11.7182 14.4965 14.5008 15.6551 15.6572 17.3601 17.3641 k = 0.0970 0.1680 0.3025 ( 2956 PWs) bands (ev): -13.1512 -13.1509 -13.0757 -13.0755 -11.2988 -11.2987 -9.4230 -9.4230 -8.8611 -8.8606 -8.8052 -8.8046 -0.9870 -0.9866 0.3161 0.3164 0.9590 0.9597 1.5383 1.5399 2.4653 2.4655 2.4736 2.4738 3.0628 3.0632 3.5263 3.5274 3.7153 3.7167 4.7639 4.7663 5.0723 5.0741 5.3986 5.3996 5.5843 5.5877 7.0196 7.0203 7.1700 7.1727 7.4855 7.4907 8.3462 8.3511 8.4095 8.4147 11.5442 11.5462 11.6678 11.6687 14.5351 14.5393 15.6504 15.6523 17.3802 17.3840 k = 0.0909 0.1575 0.3025 ( 2952 PWs) bands (ev): -13.1675 -13.1673 -13.1009 -13.1007 -11.3070 -11.3069 -9.3770 -9.3770 -8.8383 -8.8379 -8.7806 -8.7800 -0.9815 -0.9811 0.2929 0.2931 0.9033 0.9041 1.4704 1.4718 2.4990 2.4992 2.5100 2.5102 3.1044 3.1045 3.5784 3.5797 3.6995 3.7009 4.7690 4.7713 5.0654 5.0667 5.3684 5.3691 5.5594 5.5627 7.0302 7.0310 7.1683 7.1709 7.4745 7.4797 8.3733 8.3782 8.4293 8.4343 11.5079 11.5099 11.6197 11.6206 14.5728 14.5768 15.6478 15.6496 17.3997 17.4033 k = 0.0848 0.1470 0.3025 ( 2940 PWs) bands (ev): -13.1829 -13.1827 -13.1247 -13.1245 -11.3147 -11.3146 -9.3345 -9.3344 -8.8153 -8.8149 -8.7573 -8.7567 -0.9738 -0.9734 0.2708 0.2711 0.8428 0.8436 1.4107 1.4119 2.5322 2.5323 2.5450 2.5453 3.1445 3.1447 3.6295 3.6310 3.6850 3.6863 4.7744 4.7765 5.0535 5.0544 5.3441 5.3445 5.5358 5.5390 7.0399 7.0408 7.1656 7.1681 7.4608 7.4658 8.3998 8.4045 8.4485 8.4532 11.4732 11.4751 11.5731 11.5739 14.6094 14.6133 15.6471 15.6487 17.4183 17.4216 k = 0.0788 0.1365 0.3025 ( 2944 PWs) bands (ev): -13.1973 -13.1971 -13.1470 -13.1468 -11.3218 -11.3217 -9.2955 -9.2955 -8.7921 -8.7918 -8.7353 -8.7348 -0.9640 -0.9635 0.2500 0.2503 0.7779 0.7787 1.3591 1.3601 2.5644 2.5644 2.5784 2.5787 3.1838 3.1843 3.6713 3.6723 3.6794 3.6807 4.7798 4.7818 5.0363 5.0368 5.3263 5.3265 5.5135 5.5165 7.0488 7.0498 7.1621 7.1644 7.4447 7.4495 8.4252 8.4297 8.4669 8.4713 11.4402 11.4421 11.5284 11.5292 14.6448 14.6485 15.6480 15.6494 17.4359 17.4389 k = 0.0727 0.1260 0.3025 ( 2942 PWs) bands (ev): -13.2107 -13.2106 -13.1677 -13.1675 -11.3283 -11.3282 -9.2602 -9.2602 -8.7690 -8.7686 -8.7148 -8.7144 -0.9521 -0.9517 0.2306 0.2308 0.7096 0.7104 1.3151 1.3159 2.5954 2.5954 2.6100 2.6103 3.2226 3.2233 3.6593 3.6605 3.7256 3.7273 4.7852 4.7871 5.0144 5.0145 5.3148 5.3149 5.4926 5.4954 7.0570 7.0580 7.1579 7.1600 7.4270 7.4315 8.4492 8.4534 8.4846 8.4887 11.4091 11.4109 11.4857 11.4865 14.6787 14.6822 15.6502 15.6515 17.4524 17.4552 k = 0.0667 0.1155 0.3025 ( 2946 PWs) bands (ev): -13.2231 -13.2230 -13.1868 -13.1867 -11.3344 -11.3343 -9.2286 -9.2286 -8.7460 -8.7457 -8.6958 -8.6953 -0.9383 -0.9379 0.2124 0.2127 0.6393 0.6401 1.2778 1.2786 2.6249 2.6249 2.6394 2.6398 3.2611 3.2621 3.6483 3.6494 3.7685 3.7703 4.7905 4.7922 4.9891 4.9892 5.3085 5.3087 5.4731 5.4758 7.0645 7.0655 7.1532 7.1552 7.4080 7.4122 8.4716 8.4754 8.5015 8.5052 11.3799 11.3816 11.4455 11.4462 14.7110 14.7143 15.6535 15.6546 17.4676 17.4701 k = 0.0606 0.1050 0.3025 ( 2950 PWs) bands (ev): -13.2345 -13.2343 -13.2044 -13.2043 -11.3399 -11.3398 -9.2005 -9.2005 -8.7235 -8.7232 -8.6782 -8.6778 -0.9227 -0.9223 0.1957 0.1960 0.5683 0.5692 1.2465 1.2471 2.6526 2.6526 2.6666 2.6669 3.2997 3.3009 3.6384 3.6395 3.8069 3.8088 4.7955 4.7970 4.9621 4.9624 5.3062 5.3064 5.4550 5.4576 7.0715 7.0725 7.1482 7.1500 7.3882 7.3921 8.4922 8.4955 8.5175 8.5207 11.3528 11.3543 11.4079 11.4085 14.7414 14.7446 15.6576 15.6586 17.4815 17.4837 k = 0.0545 0.0945 0.3025 ( 2946 PWs) bands (ev): -13.2448 -13.2447 -13.2204 -13.2203 -11.3448 -11.3447 -9.1759 -9.1758 -8.7017 -8.7015 -8.6622 -8.6618 -0.9056 -0.9052 0.1805 0.1807 0.4982 0.4990 1.2201 1.2206 2.6784 2.6784 2.6913 2.6916 3.3382 3.3396 3.6297 3.6306 3.8399 3.8419 4.8002 4.8016 4.9354 4.9358 5.3067 5.3069 5.4386 5.4409 7.0779 7.0790 7.1430 7.1447 7.3681 7.3717 8.5109 8.5136 8.5326 8.5352 11.3279 11.3293 11.3732 11.3738 14.7699 14.7728 15.6623 15.6632 17.4939 17.4959 k = 0.0485 0.0840 0.3025 ( 2944 PWs) bands (ev): -13.2540 -13.2539 -13.2347 -13.2346 -11.3492 -11.3492 -9.1545 -9.1544 -8.6811 -8.6809 -8.6478 -8.6475 -0.8872 -0.8868 0.1668 0.1670 0.4302 0.4310 1.1980 1.1984 2.7021 2.7021 2.7134 2.7138 3.3767 3.3782 3.6220 3.6229 3.8668 3.8688 4.8045 4.8058 4.9102 4.9106 5.3089 5.3092 5.4237 5.4258 7.0839 7.0850 7.1379 7.1393 7.3483 7.3514 8.5275 8.5296 8.5466 8.5485 11.3052 11.3066 11.3415 11.3421 14.7961 14.7987 15.6674 15.6681 17.5048 17.5066 k = 0.0424 0.0735 0.3025 ( 2940 PWs) bands (ev): -13.2622 -13.2621 -13.2474 -13.2473 -11.3531 -11.3531 -9.1362 -9.1361 -8.6619 -8.6617 -8.6350 -8.6347 -0.8681 -0.8677 0.1546 0.1548 0.3656 0.3663 1.1795 1.1799 2.7234 2.7234 2.7329 2.7333 3.4149 3.4164 3.6154 3.6162 3.8871 3.8891 4.8085 4.8096 4.8876 4.8880 5.3121 5.3124 5.4104 5.4123 7.0895 7.0906 7.1329 7.1342 7.3290 7.3317 8.5420 8.5435 8.5593 8.5607 11.2851 11.2863 11.3132 11.3136 14.8198 14.8222 15.6724 15.6730 17.5142 17.5157 k = 0.0364 0.0630 0.3025 ( 2944 PWs) bands (ev): -13.2693 -13.2692 -13.2584 -13.2584 -11.3565 -11.3565 -9.1207 -9.1207 -8.6445 -8.6444 -8.6238 -8.6235 -0.8487 -0.8483 0.1440 0.1441 0.3057 0.3063 1.1642 1.1645 2.7422 2.7422 2.7498 2.7501 3.4522 3.4538 3.6098 3.6105 3.9006 3.9026 4.8119 4.8129 4.8684 4.8688 5.3158 5.3160 5.3989 5.4005 7.0948 7.0958 7.1283 7.1294 7.3108 7.3131 8.5545 8.5555 8.5707 8.5716 11.2674 11.2684 11.2882 11.2886 14.8409 14.8429 15.6774 15.6779 17.5219 17.5233 k = 0.0303 0.0525 0.3025 ( 2940 PWs) bands (ev): -13.2754 -13.2753 -13.2678 -13.2677 -11.3594 -11.3593 -9.1080 -9.1080 -8.6292 -8.6291 -8.6143 -8.6141 -0.8298 -0.8294 0.1349 0.1351 0.2517 0.2522 1.1518 1.1520 2.7583 2.7584 2.7640 2.7643 3.4879 3.4896 3.6052 3.6057 3.9078 3.9097 4.8150 4.8158 4.8528 4.8531 5.3194 5.3196 5.3891 5.3905 7.0997 7.1006 7.1241 7.1250 7.2941 7.2960 8.5649 8.5655 8.5806 8.5810 11.2523 11.2531 11.2669 11.2673 14.8591 14.8609 15.6819 15.6823 17.5282 17.5295 k = 0.0242 0.0420 0.3025 ( 2936 PWs) bands (ev): -13.2803 -13.2802 -13.2754 -13.2754 -11.3617 -11.3617 -9.0978 -9.0978 -8.6163 -8.6162 -8.6065 -8.6063 -0.8122 -0.8119 0.1275 0.1276 0.2048 0.2053 1.1419 1.1421 2.7717 2.7717 2.7756 2.7758 3.5212 3.5227 3.6015 3.6019 3.9094 3.9112 4.8175 4.8181 4.8408 4.8411 5.3228 5.3229 5.3810 5.3822 7.1041 7.1049 7.1206 7.1213 7.2794 7.2809 8.5733 8.5736 8.5888 8.5889 11.2398 11.2405 11.2493 11.2496 14.8743 14.8757 15.6860 15.6863 17.5334 17.5350 k = 0.0182 0.0315 0.3025 ( 2948 PWs) bands (ev): -13.2841 -13.2841 -13.2814 -13.2814 -11.3635 -11.3635 -9.0901 -9.0900 -8.6060 -8.6060 -8.6004 -8.6003 -0.7968 -0.7966 0.1217 0.1218 0.1665 0.1669 1.1344 1.1345 2.7822 2.7822 2.7845 2.7847 3.5504 3.5518 3.5987 3.5990 3.9070 3.9085 4.8194 4.8199 4.8322 4.8324 5.3256 5.3256 5.3748 5.3756 7.1080 7.1086 7.1177 7.1182 7.2672 7.2683 8.5798 8.5799 8.5951 8.5952 11.2301 11.2306 11.2355 11.2357 14.8864 14.8874 15.6892 15.6895 17.5372 17.5425 k = 0.0121 0.0210 0.3025 ( 2948 PWs) bands (ev): -13.2869 -13.2869 -13.2857 -13.2857 -11.3648 -11.3648 -9.0846 -9.0846 -8.5986 -8.5985 -8.5960 -8.5959 -0.7849 -0.7847 0.1175 0.1175 0.1381 0.1383 1.1291 1.1292 2.7896 2.7897 2.7910 2.7910 3.5737 3.5748 3.5968 3.5970 3.9026 3.9038 4.8208 4.8212 4.8265 4.8267 5.3277 5.3277 5.3703 5.3709 7.1111 7.1115 7.1156 7.1159 7.2580 7.2587 8.5844 8.5844 8.5997 8.5997 11.2231 11.2234 11.2257 11.2258 14.8951 14.8958 15.6917 15.6918 17.5399 17.5412 k = 0.0061 0.0105 0.3025 ( 2944 PWs) bands (ev): -13.2886 -13.2885 -13.2882 -13.2882 -11.3656 -11.3656 -9.0813 -9.0813 -8.5940 -8.5940 -8.5934 -8.5933 -0.7772 -0.7771 0.1146 0.1146 0.1209 0.1210 1.1260 1.1260 2.7941 2.7941 2.7949 2.7950 3.5888 3.5895 3.5961 3.5961 3.8988 3.8994 4.8215 4.8217 4.8235 4.8236 5.3290 5.3290 5.3677 5.3680 7.1132 7.1134 7.1143 7.1145 7.2523 7.2526 8.5871 8.5872 8.6025 8.6025 11.2189 11.2190 11.2199 11.2199 14.9004 14.9008 15.6932 15.6933 17.5420 17.5437 k = 0.0000 0.0000 0.3025 ( 2942 PWs) bands (ev): -13.2891 -13.2891 -13.2890 -13.2890 -11.3658 -11.3658 -9.0803 -9.0803 -8.5926 -8.5926 -8.5924 -8.5924 -0.7745 -0.7745 0.1125 0.1125 0.1162 0.1162 1.1250 1.1250 2.7955 2.7955 2.7963 2.7963 3.5931 3.5931 3.5971 3.5971 3.8974 3.8974 4.8215 4.8215 4.8229 4.8229 5.3294 5.3294 5.3670 5.3670 7.1139 7.1139 7.1140 7.1140 7.2505 7.2505 8.5881 8.5881 8.6034 8.6034 11.2173 11.2173 11.2181 11.2181 14.9024 14.9024 15.6938 15.6938 17.5424 17.5456 k = 0.5000 0.2887 0.3025 ( 2944 PWs) bands (ev): -12.6690 -12.6690 -11.5802 -11.5802 -11.4191 -11.4191 -10.7739 -10.7739 -10.3452 -10.3452 -8.8516 -8.8516 -0.1975 -0.1975 0.2982 0.2982 0.7452 0.7452 1.2975 1.2975 2.0550 2.0550 2.6680 2.6680 3.2088 3.2088 3.8416 3.8416 4.8484 4.8484 4.9925 4.9925 5.3833 5.3833 5.6627 5.6627 6.0493 6.0493 6.4484 6.4484 6.4893 6.4893 6.8583 6.8583 7.3948 7.3948 8.2597 8.2597 12.4091 12.4091 13.2185 13.2185 13.2852 13.2852 16.6988 16.6988 17.1131 17.1131 k = 0.5000 0.2887 0.2904 ( 2944 PWs) bands (ev): -12.6694 -12.6694 -11.5791 -11.5791 -11.4193 -11.4193 -10.7736 -10.7736 -10.3460 -10.3459 -8.8517 -8.8517 -0.1982 -0.1982 0.2961 0.2963 0.7418 0.7422 1.3054 1.3055 2.0529 2.0532 2.6693 2.6696 3.2099 3.2101 3.8442 3.8446 4.8345 4.8347 5.0030 5.0040 5.3827 5.3835 5.6586 5.6608 6.0486 6.0504 6.4284 6.4316 6.5031 6.5061 6.8605 6.8614 7.3944 7.3945 8.2610 8.2613 12.4088 12.4090 13.2122 13.2137 13.2899 13.2913 16.6960 16.6964 17.1145 17.1161 k = 0.5000 0.2887 0.2783 ( 2944 PWs) bands (ev): -12.6707 -12.6706 -11.5760 -11.5759 -11.4200 -11.4199 -10.7728 -10.7728 -10.3480 -10.3480 -8.8517 -8.8517 -0.2005 -0.2004 0.2900 0.2903 0.7326 0.7333 1.3283 1.3285 2.0468 2.0474 2.6736 2.6741 3.2133 3.2138 3.8524 3.8530 4.8011 4.8014 5.0276 5.0293 5.3817 5.3833 5.6488 5.6528 6.0480 6.0514 6.3960 6.4000 6.5263 6.5297 6.8678 6.8696 7.3933 7.3934 8.2653 8.2660 12.4084 12.4088 13.1985 13.2007 13.3025 13.3045 16.6883 16.6891 17.1203 17.1235 k = 0.5000 0.2887 0.2662 ( 2952 PWs) bands (ev): -12.6727 -12.6727 -11.5709 -11.5708 -11.4210 -11.4209 -10.7715 -10.7714 -10.3515 -10.3514 -8.8518 -8.8518 -0.2043 -0.2041 0.2803 0.2807 0.7193 0.7203 1.3644 1.3646 2.0367 2.0376 2.6810 2.6816 3.2190 3.2198 3.8658 3.8668 4.7580 4.7582 5.0563 5.0586 5.3805 5.3828 5.6337 5.6395 6.0464 6.0511 6.3613 6.3659 6.5479 6.5513 6.8797 6.8821 7.3914 7.3917 8.2725 8.2735 12.4076 12.4083 13.1816 13.1842 13.3184 13.3207 16.6761 16.6773 17.1301 17.1348 k = 0.5000 0.2887 0.2541 ( 2956 PWs) bands (ev): -12.6755 -12.6754 -11.5638 -11.5636 -11.4224 -11.4223 -10.7697 -10.7696 -10.3563 -10.3562 -8.8519 -8.8519 -0.2097 -0.2095 0.2674 0.2680 0.7039 0.7051 1.4111 1.4113 2.0229 2.0240 2.6916 2.6924 3.2270 3.2280 3.8841 3.8854 4.7094 4.7098 5.0843 5.0873 5.3791 5.3823 5.6142 5.6214 6.0419 6.0475 6.3274 6.3328 6.5670 6.5703 6.8951 6.8980 7.3888 7.3891 8.2825 8.2837 12.4067 12.4075 13.1635 13.1663 13.3355 13.3378 16.6602 16.6615 17.1435 17.1495 k = 0.5000 0.2887 0.2420 ( 2952 PWs) bands (ev): -12.6789 -12.6788 -11.5548 -11.5546 -11.4241 -11.4240 -10.7673 -10.7672 -10.3624 -10.3622 -8.8521 -8.8521 -0.2169 -0.2167 0.2523 0.2529 0.6880 0.6893 1.4665 1.4667 2.0055 2.0068 2.7056 2.7064 3.2371 3.2384 3.9068 3.9083 4.6572 4.6577 5.1096 5.1132 5.3778 5.3818 5.5913 5.5996 6.0317 6.0380 6.2974 6.3038 6.5838 6.5870 6.9131 6.9164 7.3855 7.3859 8.2950 8.2965 12.4056 12.4066 13.1450 13.1478 13.3528 13.3551 16.6411 16.6426 17.1601 17.1672 k = 0.5000 0.2887 0.2299 ( 2948 PWs) bands (ev): -12.6830 -12.6829 -11.5441 -11.5439 -11.4261 -11.4260 -10.7646 -10.7645 -10.3697 -10.3695 -8.8523 -8.8522 -0.2260 -0.2257 0.2356 0.2363 0.6726 0.6741 1.5286 1.5287 1.9847 1.9862 2.7230 2.7239 3.2493 3.2508 3.9332 3.9350 4.6022 4.6030 5.1310 5.1352 5.3767 5.3815 5.5662 5.5752 6.0135 6.0199 6.2739 6.2815 6.5990 6.6019 6.9326 6.9362 7.3815 7.3820 8.3099 8.3115 12.4043 12.4055 13.1263 13.1291 13.3701 13.3724 16.6195 16.6211 17.1794 17.1875 k = 0.5000 0.2887 0.2178 ( 2948 PWs) bands (ev): -12.6875 -12.6874 -11.5318 -11.5315 -11.4284 -11.4283 -10.7615 -10.7613 -10.3782 -10.3780 -8.8525 -8.8525 -0.2370 -0.2367 0.2183 0.2190 0.6584 0.6599 1.5960 1.5960 1.9611 1.9627 2.7439 2.7447 3.2634 3.2651 3.9627 3.9648 4.5451 4.5461 5.1474 5.1522 5.3754 5.3809 5.5404 5.5496 5.9857 5.9921 6.2586 6.2671 6.6131 6.6156 6.9526 6.9564 7.3768 7.3773 8.3268 8.3286 12.4029 12.4043 13.1077 13.1106 13.3871 13.3892 16.5962 16.5978 17.2011 17.2099 k = 0.5000 0.2887 0.2057 ( 2960 PWs) bands (ev): -12.6925 -12.6924 -11.5180 -11.5177 -11.4310 -11.4308 -10.7580 -10.7579 -10.3878 -10.3876 -8.8527 -8.8527 -0.2500 -0.2497 0.2012 0.2020 0.6456 0.6472 1.6673 1.6674 1.9351 1.9369 2.7682 2.7689 3.2792 3.2812 3.9943 3.9967 4.4864 4.4877 5.1586 5.1638 5.3727 5.3787 5.5163 5.5251 5.9490 5.9551 6.2509 6.2600 6.6266 6.6289 6.9724 6.9763 7.3715 7.3721 8.3453 8.3473 12.4014 12.4029 13.0895 13.0923 13.4035 13.4056 16.5715 16.5731 17.2247 17.2341 k = 0.5000 0.2887 0.1936 ( 2964 PWs) bands (ev): -12.6979 -12.6977 -11.5030 -11.5027 -11.4336 -11.4334 -10.7543 -10.7541 -10.3985 -10.3983 -8.8530 -8.8529 -0.2649 -0.2646 0.1851 0.1858 0.6344 0.6360 1.7412 1.7416 1.9079 1.9099 2.7956 2.7962 3.2965 3.2988 4.0269 4.0295 4.4269 4.4286 5.1642 5.1696 5.3659 5.3723 5.4974 5.5048 5.9055 5.9114 6.2491 6.2583 6.6401 6.6420 6.9914 6.9953 7.3657 7.3663 8.3653 8.3674 12.3998 12.4014 13.0716 13.0744 13.4194 13.4214 16.5461 16.5476 17.2500 17.2596 k = 0.5000 0.2887 0.1815 ( 2960 PWs) bands (ev): -12.7034 -12.7033 -11.4869 -11.4867 -11.4364 -11.4361 -10.7504 -10.7502 -10.4101 -10.4098 -8.8532 -8.8532 -0.2815 -0.2812 0.1704 0.1711 0.6247 0.6263 1.8124 1.8135 1.8843 1.8868 2.8259 2.8264 3.3152 3.3177 4.0583 4.0614 4.3683 4.3704 5.1646 5.1701 5.3514 5.3585 5.4870 5.4923 5.8575 5.8630 6.2509 6.2601 6.6538 6.6553 7.0089 7.0129 7.3594 7.3601 8.3863 8.3884 12.3982 12.3999 13.0543 13.0571 13.4346 13.4365 16.5204 16.5218 17.2768 17.2858 k = 0.5000 0.2887 0.1694 ( 2960 PWs) bands (ev): -12.7091 -12.7090 -11.4702 -11.4700 -11.4390 -11.4386 -10.7463 -10.7461 -10.4224 -10.4222 -8.8535 -8.8535 -0.2996 -0.2993 0.1574 0.1581 0.6164 0.6180 1.8326 1.8336 1.9141 1.9155 2.8587 2.8592 3.3349 3.3375 4.0843 4.0880 4.3144 4.3171 5.1603 5.1658 5.3281 5.3365 5.4854 5.4889 5.8068 5.8120 6.2549 6.2639 6.6679 6.6691 7.0247 7.0287 7.3529 7.3536 8.4080 8.4101 12.3967 12.3984 13.0376 13.0403 13.4491 13.4509 16.4947 16.4961 17.3043 17.3112 k = 0.5000 0.2887 0.1573 ( 2958 PWs) bands (ev): -12.7148 -12.7147 -11.4541 -11.4539 -11.4405 -11.4397 -10.7422 -10.7420 -10.4355 -10.4352 -8.8538 -8.8538 -0.3188 -0.3186 0.1463 0.1469 0.6095 0.6111 1.8061 1.8073 1.9917 1.9922 2.8937 2.8943 3.3552 3.3581 4.0945 4.0984 4.2756 4.2787 5.1522 5.1575 5.2985 5.3081 5.4898 5.4924 5.7549 5.7597 6.2600 6.2686 6.6827 6.6835 7.0383 7.0424 7.3464 7.3472 8.4299 8.4320 12.3951 12.3969 13.0216 13.0242 13.4628 13.4644 16.4694 16.4707 17.3314 17.3345 k = 0.5000 0.2887 0.1452 ( 2956 PWs) bands (ev): -12.7205 -12.7204 -11.4481 -11.4477 -11.4315 -11.4306 -10.7380 -10.7378 -10.4490 -10.4488 -8.8541 -8.8541 -0.3387 -0.3384 0.1370 0.1375 0.6039 0.6054 1.7752 1.7765 2.0749 2.0752 2.9304 2.9311 3.3759 3.3789 4.0739 4.0771 4.2673 4.2697 5.1407 5.1459 5.2655 5.2759 5.4970 5.4997 5.7033 5.7076 6.2656 6.2737 6.6981 6.6987 7.0495 7.0536 7.3400 7.3409 8.4517 8.4538 12.3936 12.3954 13.0064 13.0089 13.4756 13.4772 16.4449 16.4461 17.3532 17.3581 k = 0.5000 0.2887 0.1331 ( 2960 PWs) bands (ev): -12.7260 -12.7259 -11.4497 -11.4496 -11.4141 -11.4134 -10.7339 -10.7337 -10.4630 -10.4627 -8.8544 -8.8543 -0.3587 -0.3585 0.1294 0.1299 0.5994 0.6009 1.7438 1.7452 2.1602 2.1604 2.9683 2.9692 3.3965 3.3997 4.0251 4.0273 4.2859 4.2873 5.1268 5.1318 5.2310 5.2420 5.5043 5.5077 5.6537 5.6571 6.2711 6.2787 6.7141 6.7146 7.0580 7.0621 7.3341 7.3350 8.4732 8.4751 12.3922 12.3940 12.9920 12.9944 13.4875 13.4890 16.4214 16.4225 17.3713 17.3800 k = 0.5000 0.2887 0.1210 ( 2966 PWs) bands (ev): -12.7313 -12.7312 -11.4522 -11.4521 -11.3960 -11.3955 -10.7299 -10.7297 -10.4770 -10.4768 -8.8547 -8.8546 -0.3786 -0.3784 0.1233 0.1237 0.5960 0.5975 1.7131 1.7144 2.2468 2.2470 3.0070 3.0080 3.4165 3.4198 3.9624 3.9639 4.3161 4.3170 5.1108 5.1158 5.1963 5.2079 5.5075 5.5128 5.6096 5.6115 6.2765 6.2834 6.7307 6.7313 7.0636 7.0676 7.3289 7.3298 8.4939 8.4957 12.3910 12.3927 12.9786 12.9809 13.4985 13.4999 16.3991 16.4001 17.3885 17.3991 k = 0.5000 0.2887 0.1089 ( 2966 PWs) bands (ev): -12.7363 -12.7362 -11.4547 -11.4547 -11.3781 -11.3776 -10.7260 -10.7258 -10.4910 -10.4908 -8.8549 -8.8549 -0.3977 -0.3975 0.1184 0.1188 0.5936 0.5950 1.6835 1.6848 2.3343 2.3345 3.0458 3.0471 3.4353 3.4387 3.8933 3.8946 4.3503 4.3508 5.0936 5.0984 5.1626 5.1745 5.4978 5.5062 5.5781 5.5809 6.2814 6.2877 6.7479 6.7487 7.0662 7.0702 7.3246 7.3255 8.5135 8.5152 12.3898 12.3915 12.9662 12.9683 13.5086 13.5098 16.3783 16.3792 17.4052 17.4165 k = 0.5000 0.2887 0.0968 ( 2960 PWs) bands (ev): -12.7410 -12.7409 -11.4571 -11.4571 -11.3608 -11.3603 -10.7224 -10.7222 -10.5047 -10.5045 -8.8552 -8.8552 -0.4158 -0.4156 0.1147 0.1150 0.5920 0.5933 1.6556 1.6568 2.4224 2.4226 3.0842 3.0855 3.4522 3.4556 3.8211 3.8224 4.3853 4.3856 5.0755 5.0802 5.1306 5.1427 5.4691 5.4782 5.5688 5.5721 6.2858 6.2914 6.7654 6.7664 7.0659 7.0698 7.3212 7.3222 8.5318 8.5334 12.3888 12.3904 12.9549 12.9568 13.5177 13.5187 16.3591 16.3600 17.4215 17.4330 k = 0.5000 0.2887 0.0847 ( 2962 PWs) bands (ev): -12.7453 -12.7452 -11.4594 -11.4594 -11.3444 -11.3440 -10.7190 -10.7188 -10.5178 -10.5176 -8.8554 -8.8554 -0.4324 -0.4323 0.1118 0.1121 0.5912 0.5924 1.6297 1.6308 2.5108 2.5111 3.1213 3.1228 3.4660 3.4693 3.7477 3.7492 4.4195 4.4196 5.0571 5.0617 5.1011 5.1132 5.4313 5.4397 5.5718 5.5744 6.2898 6.2947 6.7832 6.7844 7.0627 7.0665 7.3189 7.3198 8.5486 8.5500 12.3880 12.3895 12.9447 12.9465 13.5257 13.5267 16.3419 16.3426 17.4373 17.4486 k = 0.5000 0.2887 0.0726 ( 2962 PWs) bands (ev): -12.7490 -12.7490 -11.4614 -11.4614 -11.3292 -11.3288 -10.7159 -10.7157 -10.5301 -10.5299 -8.8556 -8.8556 -0.4474 -0.4473 0.1096 0.1099 0.5909 0.5920 1.6064 1.6074 2.5994 2.5997 3.1564 3.1579 3.4745 3.4778 3.6756 3.6776 4.4518 4.4519 5.0390 5.0432 5.0751 5.0867 5.3929 5.4005 5.5778 5.5798 6.2932 6.2974 6.8009 6.8024 7.0572 7.0608 7.3174 7.3182 8.5636 8.5648 12.3873 12.3886 12.9358 12.9374 13.5328 13.5336 16.3266 16.3272 17.4523 17.4630 k = 0.5000 0.2887 0.0605 ( 2960 PWs) bands (ev): -12.7523 -12.7523 -11.4632 -11.4632 -11.3156 -11.3153 -10.7132 -10.7130 -10.5412 -10.5410 -8.8558 -8.8558 -0.4605 -0.4604 0.1080 0.1082 0.5911 0.5920 1.5859 1.5868 2.6878 2.6882 3.1886 3.1900 3.4717 3.4748 3.6112 3.6139 4.4813 4.4816 5.0214 5.0247 5.0537 5.0641 5.3571 5.3640 5.5841 5.5857 6.2961 6.2996 6.8183 6.8199 7.0498 7.0531 7.3167 7.3174 8.5766 8.5777 12.3867 12.3879 12.9282 12.9295 13.5388 13.5394 16.3135 16.3140 17.4662 17.4760 k = 0.5000 0.2887 0.0484 ( 2960 PWs) bands (ev): -12.7551 -12.7550 -11.4647 -11.4646 -11.3039 -11.3037 -10.7109 -10.7107 -10.5508 -10.5507 -8.8560 -8.8559 -0.4714 -0.4713 0.1068 0.1070 0.5915 0.5923 1.5687 1.5694 2.7757 2.7762 3.2165 3.2177 3.4436 3.4464 3.5691 3.5724 4.5072 4.5076 5.0048 5.0068 5.0376 5.0460 5.3256 5.3316 5.5898 5.5909 6.2985 6.3013 6.8349 6.8364 7.0411 7.0441 7.3166 7.3171 8.5875 8.5884 12.3863 12.3873 12.9219 12.9229 13.5437 13.5442 16.3026 16.3030 17.4787 17.4871 k = 0.5000 0.2887 0.0363 ( 2950 PWs) bands (ev): -12.7572 -12.7572 -11.4658 -11.4658 -11.2945 -11.2942 -10.7090 -10.7089 -10.5587 -10.5586 -8.8561 -8.8561 -0.4801 -0.4800 0.1060 0.1062 0.5920 0.5926 1.5550 1.5556 2.8626 2.8631 3.2382 3.2390 3.3874 3.3893 3.5544 3.5571 4.5287 4.5291 4.9899 4.9910 5.0265 5.0326 5.2997 5.3046 5.5944 5.5952 6.3004 6.3025 6.8498 6.8513 7.0323 7.0347 7.3167 7.3171 8.5962 8.5968 12.3861 12.3868 12.9170 12.9178 13.5476 13.5480 16.2941 16.2944 17.4893 17.4961 k = 0.5000 0.2887 0.0242 ( 2964 PWs) bands (ev): -12.7588 -12.7587 -11.4667 -11.4667 -11.2875 -11.2873 -10.7076 -10.7075 -10.5646 -10.5645 -8.8562 -8.8562 -0.4863 -0.4863 0.1055 0.1056 0.5926 0.5930 1.5450 1.5454 2.9474 2.9480 3.2469 3.2472 3.3248 3.3262 3.5513 3.5532 4.5449 4.5453 4.9779 4.9786 5.0195 5.0235 5.2804 5.2839 5.5978 5.5983 6.3019 6.3033 6.8622 6.8633 7.0243 7.0262 7.3169 7.3172 8.6024 8.6029 12.3859 12.3864 12.9134 12.9140 13.5503 13.5506 16.2879 16.2882 17.4976 17.5024 k = 0.5000 0.2887 0.0121 ( 2964 PWs) bands (ev): -12.7597 -12.7597 -11.4672 -11.4672 -11.2832 -11.2831 -10.7067 -10.7067 -10.5682 -10.5681 -8.8562 -8.8562 -0.4901 -0.4901 0.1052 0.1052 0.5930 0.5932 1.5390 1.5392 3.0264 3.0270 3.2153 3.2162 3.2943 3.2952 3.5512 3.5522 4.5550 4.5553 4.9701 4.9705 5.0160 5.0180 5.2687 5.2706 5.5999 5.6002 6.3029 6.3036 6.8707 6.8713 7.0188 7.0198 7.3172 7.3173 8.6063 8.6065 12.3858 12.3861 12.9114 12.9117 13.5520 13.5522 16.2843 16.2844 17.5033 17.5058 k = 0.5000 0.2887-0.0000 ( 2970 PWs) bands (ev): -12.7600 -12.7600 -11.4674 -11.4674 -11.2817 -11.2817 -10.7064 -10.7064 -10.5694 -10.5694 -8.8562 -8.8562 -0.4914 -0.4914 0.1051 0.1051 0.5932 0.5932 1.5371 1.5371 3.0735 3.0735 3.1771 3.1771 3.2922 3.2922 3.5517 3.5517 4.5586 4.5586 4.9676 4.9676 5.0156 5.0156 5.2654 5.2654 5.6007 5.6007 6.3034 6.3034 6.8740 6.8740 7.0172 7.0172 7.3173 7.3173 8.6076 8.6076 12.3859 12.3859 12.9108 12.9108 13.5526 13.5526 16.2831 16.2831 17.5061 17.5061 k = 0.3333 0.5774-0.0000 ( 2952 PWs) bands (ev): -12.1313 -12.1303 -12.1303 -12.1299 -11.4334 -11.4334 -10.1240 -10.1235 -10.1235 -10.1221 -9.9324 -9.9324 -0.7983 -0.7983 0.8965 0.8965 0.8970 0.8976 2.1266 2.1266 2.4872 2.4872 2.4896 2.4949 2.8025 2.8025 3.8046 3.8065 3.8065 3.8076 5.4429 5.4449 5.4537 5.4537 5.5099 5.5099 6.1937 6.1946 6.1966 6.1966 6.5459 6.5459 7.2715 7.2715 7.2767 7.2816 8.0591 8.0591 12.8998 12.9042 12.9042 12.9043 13.2171 13.2171 17.1191 17.1293 17.1303 17.1303 k = 0.3333 0.5774 0.0121 ( 2964 PWs) bands (ev): -12.1364 -12.1361 -12.1241 -12.1239 -11.4342 -11.4342 -10.1428 -10.1423 -10.1045 -10.1040 -9.9321 -9.9321 -0.7967 -0.7966 0.8552 0.8560 0.9397 0.9405 2.1238 2.1238 2.4395 2.4442 2.5327 2.5380 2.8041 2.8041 3.7750 3.7752 3.8352 3.8358 5.4031 5.4134 5.4841 5.4932 5.5103 5.5108 6.1739 6.1760 6.2163 6.2191 6.5461 6.5468 7.2708 7.2728 7.2768 7.2820 8.0583 8.0584 12.8990 12.9021 12.9054 12.9066 13.2167 13.2167 17.1167 17.1244 17.1328 17.1372 k = 0.3333 0.5774 0.0242 ( 2958 PWs) bands (ev): -12.1416 -12.1413 -12.1171 -12.1169 -11.4366 -11.4365 -10.1622 -10.1617 -10.0857 -10.0852 -9.9311 -9.9310 -0.7918 -0.7918 0.8159 0.8167 0.9849 0.9857 2.1156 2.1157 2.3897 2.3941 2.5760 2.5815 2.8089 2.8090 3.7427 3.7427 3.8615 3.8622 5.3623 5.3731 5.5114 5.5129 5.5230 5.5319 6.1559 6.1576 6.2401 6.2433 6.5476 6.5490 7.2704 7.2747 7.2770 7.2832 8.0561 8.0563 12.8974 12.9001 12.9076 12.9091 13.2155 13.2155 17.1131 17.1198 17.1397 17.1452 k = 0.3333 0.5774 0.0363 ( 2952 PWs) bands (ev): -12.1461 -12.1459 -12.1094 -12.1091 -11.4404 -11.4404 -10.1816 -10.1812 -10.0673 -10.0668 -9.9294 -9.9294 -0.7837 -0.7837 0.7785 0.7793 1.0321 1.0329 2.1022 2.1023 2.3379 2.3420 2.6171 2.6228 2.8166 2.8168 3.7094 3.7097 3.8843 3.8851 5.3221 5.3332 5.5142 5.5161 5.5603 5.5685 6.1402 6.1418 6.2653 6.2690 6.5502 6.5524 7.2701 7.2772 7.2776 7.2855 8.0526 8.0527 12.8957 12.8984 12.9103 12.9119 13.2136 13.2136 17.1102 17.1164 17.1481 17.1541 k = 0.3333 0.5774 0.0484 ( 2952 PWs) bands (ev): -12.1501 -12.1499 -12.1010 -12.1007 -11.4458 -11.4458 -10.2010 -10.2006 -10.0493 -10.0489 -9.9271 -9.9271 -0.7724 -0.7724 0.7430 0.7438 1.0811 1.0819 2.0841 2.0843 2.2843 2.2881 2.6561 2.6618 2.8269 2.8272 3.6760 3.6766 3.9026 3.9035 5.2831 5.2946 5.5180 5.5205 5.5954 5.6029 6.1273 6.1286 6.2917 6.2959 6.5540 6.5569 7.2698 7.2773 7.2815 7.2888 8.0475 8.0478 12.8942 12.8968 12.9133 12.9149 13.2109 13.2109 17.1085 17.1142 17.1574 17.1638 k = 0.3333 0.5774 0.0605 ( 2952 PWs) bands (ev): -12.1536 -12.1533 -12.0919 -12.0916 -11.4527 -11.4527 -10.2203 -10.2199 -10.0318 -10.0314 -9.9242 -9.9242 -0.7580 -0.7579 0.7092 0.7100 1.1319 1.1328 2.0619 2.0621 2.2290 2.2325 2.6929 2.6988 2.8394 2.8397 3.6428 3.6437 3.9156 3.9164 5.2461 5.2579 5.5229 5.5259 5.6280 5.6349 6.1173 6.1184 6.3190 6.3237 6.5589 6.5625 7.2693 7.2770 7.2866 7.2935 8.0411 8.0414 12.8928 12.8954 12.9166 12.9182 13.2074 13.2075 17.1079 17.1133 17.1675 17.1742 k = 0.3333 0.5774 0.0726 ( 2952 PWs) bands (ev): -12.1565 -12.1563 -12.0821 -12.0819 -11.4609 -11.4609 -10.2394 -10.2390 -10.0149 -10.0145 -9.9208 -9.9208 -0.7404 -0.7403 0.6771 0.6779 1.1844 1.1853 2.0361 2.0363 2.1725 2.1757 2.7277 2.7336 2.8535 2.8539 3.6102 3.6114 3.9224 3.9232 5.2116 5.2236 5.5288 5.5323 5.6580 5.6641 6.1105 6.1114 6.3470 6.3521 6.5649 6.5691 7.2685 7.2763 7.2930 7.2995 8.0333 8.0337 12.8916 12.8941 12.9201 12.9217 13.2033 13.2033 17.1086 17.1137 17.1782 17.1851 k = 0.3333 0.5774 0.0847 ( 2961 PWs) bands (ev): -12.1590 -12.1587 -12.0716 -12.0714 -11.4706 -11.4705 -10.2582 -10.2578 -9.9986 -9.9982 -9.9169 -9.9168 -0.7198 -0.7197 0.6466 0.6474 1.2386 1.2395 2.0074 2.0076 2.1149 2.1178 2.7606 2.7665 2.8689 2.8694 3.5783 3.5798 3.9224 3.9232 5.1800 5.1922 5.5356 5.5397 5.6849 5.6903 6.1071 6.1079 6.3754 6.3810 6.5718 6.5766 7.2671 7.2749 7.3010 7.3070 8.0242 8.0246 12.8904 12.8929 12.9239 12.9254 13.1984 13.1984 17.1106 17.1154 17.1892 17.1963 k = 0.3333 0.5774 0.0968 ( 2964 PWs) bands (ev): -12.1610 -12.1607 -12.0605 -12.0603 -11.4815 -11.4814 -10.2767 -10.2763 -9.9829 -9.9825 -9.9125 -9.9125 -0.6961 -0.6960 0.6173 0.6181 1.2943 1.2952 1.9762 1.9764 2.0568 2.0594 2.7916 2.7975 2.8852 2.8859 3.5475 3.5492 3.9151 3.9159 5.1518 5.1639 5.5434 5.5479 5.7088 5.7134 6.1071 6.1078 6.4039 6.4100 6.5795 6.5850 7.2651 7.2729 7.3104 7.3161 8.0137 8.0141 12.8894 12.8919 12.9280 12.9294 13.1929 13.1929 17.1137 17.1183 17.1931 17.2011 k = 0.3333 0.5774 0.1089 ( 2967 PWs) bands (ev): -12.1626 -12.1623 -12.0487 -12.0485 -11.4936 -11.4935 -10.2947 -10.2943 -9.9680 -9.9676 -9.9079 -9.9078 -0.6696 -0.6694 0.5892 0.5900 1.3512 1.3521 1.9431 1.9433 1.9985 2.0008 2.8209 2.8267 2.9022 2.9030 3.5178 3.5197 3.9003 3.9011 5.1270 5.1390 5.5519 5.5568 5.7296 5.7335 6.1107 6.1114 6.4323 6.4388 6.5881 6.5941 7.2623 7.2702 7.3215 7.3268 8.0019 8.0023 12.8886 12.8910 12.9324 12.9337 13.1868 13.1868 17.1181 17.1223 17.1884 17.1972 k = 0.3333 0.5774 0.1210 ( 2967 PWs) bands (ev): -12.1638 -12.1636 -12.0362 -12.0360 -11.5068 -11.5068 -10.3121 -10.3117 -9.9538 -9.9534 -9.9029 -9.9029 -0.6402 -0.6400 0.5619 0.5628 1.4093 1.4103 1.9085 1.9087 1.9406 1.9426 2.8486 2.8543 2.9195 2.9205 3.4892 3.4914 3.8782 3.8789 5.1056 5.1174 5.5612 5.5665 5.7474 5.7504 6.1179 6.1186 6.4602 6.4672 6.5972 6.6038 7.2588 7.2665 7.3343 7.3391 7.9888 7.9893 12.8879 12.8902 12.9370 12.9383 13.1801 13.1801 17.1235 17.1275 17.1845 17.1938 k = 0.3333 0.5774 0.1331 ( 2967 PWs) bands (ev): -12.1647 -12.1645 -12.0230 -12.0228 -11.5211 -11.5210 -10.3289 -10.3286 -9.9405 -9.9401 -9.8978 -9.8977 -0.6080 -0.6078 0.5352 0.5361 1.4683 1.4693 1.8729 1.8731 1.8836 1.8854 2.8746 2.8802 2.9371 2.9382 3.4618 3.4642 3.8491 3.8498 5.0873 5.0987 5.5711 5.5767 5.7620 5.7643 6.1285 6.1293 6.4875 6.4949 6.6069 6.6140 7.2544 7.2620 7.3487 7.3532 7.9744 7.9749 12.8872 12.8895 12.9420 12.9432 13.1729 13.1729 17.1300 17.1337 17.1815 17.1913 k = 0.3333 0.5774 0.1452 ( 2967 PWs) bands (ev): -12.1653 -12.1651 -12.0092 -12.0090 -11.5363 -11.5363 -10.3450 -10.3447 -9.9280 -9.9275 -9.8925 -9.8925 -0.5733 -0.5731 0.5087 0.5095 1.5280 1.5290 1.8281 1.8296 1.8368 1.8370 2.8993 2.9047 2.9547 2.9560 3.4356 3.4382 3.8136 3.8144 5.0717 5.0827 5.5816 5.5875 5.7738 5.7753 6.1423 6.1432 6.5139 6.5217 6.6169 6.6244 7.2491 7.2565 7.3647 7.3688 7.9588 7.9594 12.8867 12.8889 12.9472 12.9484 13.1651 13.1651 17.1374 17.1407 17.1796 17.1897 k = 0.3333 0.5774 0.1573 ( 2961 PWs) bands (ev): -12.1656 -12.1654 -11.9947 -11.9945 -11.5524 -11.5523 -10.3603 -10.3600 -9.9163 -9.9159 -9.8872 -9.8871 -0.5360 -0.5358 0.4820 0.4829 1.5880 1.5890 1.7748 1.7760 1.8005 1.8006 2.9226 2.9278 2.9723 2.9737 3.4105 3.4133 3.7726 3.7733 5.0585 5.0689 5.5925 5.5987 5.7827 5.7836 6.1589 6.1599 6.5391 6.5473 6.6271 6.6351 7.2430 7.2502 7.3824 7.3860 7.9421 7.9427 12.8863 12.8883 12.9528 12.9539 13.1570 13.1570 17.1455 17.1485 17.1788 17.1893 k = 0.3333 0.5774 0.1694 ( 2979 PWs) bands (ev): -12.1657 -12.1655 -11.9796 -11.9795 -11.5692 -11.5692 -10.3747 -10.3744 -9.9055 -9.9051 -9.8819 -9.8819 -0.4964 -0.4962 0.4547 0.4556 1.6480 1.6489 1.7241 1.7252 1.7643 1.7645 2.9446 2.9497 2.9897 2.9914 3.3866 3.3895 3.7268 3.7275 5.0472 5.0570 5.6039 5.6103 5.7890 5.7892 6.1779 6.1791 6.5629 6.5715 6.6373 6.6457 7.2360 7.2430 7.4014 7.4047 7.9242 7.9248 12.8859 12.8878 12.9587 12.9596 13.1483 13.1484 17.1542 17.1569 17.1793 17.1900 k = 0.3333 0.5774 0.1815 ( 2976 PWs) bands (ev): -12.1656 -12.1655 -11.9640 -11.9638 -11.5868 -11.5868 -10.3881 -10.3878 -9.8957 -9.8953 -9.8768 -9.8767 -0.4547 -0.4544 0.4264 0.4273 1.6769 1.6777 1.7074 1.7084 1.7287 1.7289 2.9656 2.9704 3.0070 3.0089 3.3636 3.3666 3.6773 3.6781 5.0375 5.0465 5.6156 5.6221 5.7924 5.7930 6.1988 6.2001 6.5852 6.5941 6.6474 6.6561 7.2283 7.2350 7.4219 7.4248 7.9052 7.9058 12.8856 12.8874 12.9648 12.9657 13.1394 13.1395 17.1634 17.1657 17.1812 17.1919 k = 0.3333 0.5774 0.1936 ( 2976 PWs) bands (ev): -12.1654 -12.1653 -11.9477 -11.9476 -11.6049 -11.6049 -10.4005 -10.4003 -9.8868 -9.8864 -9.8719 -9.8718 -0.4109 -0.4106 0.3967 0.3976 1.6337 1.6343 1.6941 1.6941 1.7660 1.7669 2.9857 2.9902 3.0242 3.0263 3.3417 3.3447 3.6250 3.6258 5.0291 5.0374 5.6276 5.6342 5.7935 5.7946 6.2210 6.2224 6.6058 6.6150 6.6571 6.6662 7.2200 7.2263 7.4435 7.4461 7.8852 7.8858 12.8853 12.8870 12.9714 12.9722 13.1303 13.1303 17.1728 17.1745 17.1844 17.1951 k = 0.3333 0.5774 0.2057 ( 2982 PWs) bands (ev): -12.1652 -12.1650 -11.9309 -11.9308 -11.6236 -11.6236 -10.4118 -10.4116 -9.8789 -9.8784 -9.8672 -9.8671 -0.3653 -0.3650 0.3652 0.3661 1.5950 1.5955 1.6606 1.6607 1.8228 1.8237 3.0051 3.0093 3.0411 3.0435 3.3206 3.3237 3.5710 3.5719 5.0217 5.0292 5.6397 5.6463 5.7925 5.7943 6.2437 6.2451 6.6246 6.6340 6.6664 6.6757 7.2114 7.2173 7.4663 7.4685 7.8643 7.8648 12.8852 12.8867 12.9782 12.9789 13.1209 13.1209 17.1822 17.1831 17.1892 17.1994 k = 0.3333 0.5774 0.2178 ( 2976 PWs) bands (ev): -12.1648 -12.1647 -11.9136 -11.9135 -11.6426 -11.6426 -10.4220 -10.4218 -9.8719 -9.8714 -9.8629 -9.8627 -0.3182 -0.3178 0.3316 0.3325 1.5614 1.5618 1.6288 1.6289 1.8772 1.8781 3.0240 3.0280 3.0580 3.0605 3.3003 3.3034 3.5163 3.5171 5.0154 5.0220 5.6519 5.6586 5.7897 5.7921 6.2663 6.2677 6.6414 6.6510 6.6750 6.6846 7.2027 7.2080 7.4901 7.4920 7.8424 7.8429 12.8850 12.8864 12.9854 12.9860 13.1113 13.1114 17.1908 17.1914 17.1957 17.2049 k = 0.3333 0.5774 0.2299 ( 2985 PWs) bands (ev): -12.1644 -12.1643 -11.8958 -11.8957 -11.6621 -11.6620 -10.4309 -10.4307 -9.8659 -9.8653 -9.8590 -9.8588 -0.2697 -0.2693 0.2957 0.2966 1.5332 1.5335 1.5990 1.5991 1.9283 1.9291 3.0429 3.0466 3.0746 3.0774 3.2807 3.2838 3.4618 3.4626 5.0099 5.0156 5.6642 5.6709 5.7854 5.7882 6.2879 6.2894 6.6562 6.6660 6.6827 6.6925 7.1940 7.1988 7.5146 7.5162 7.8197 7.8201 12.8849 12.8861 12.9928 12.9935 13.1016 13.1017 17.1979 17.2001 17.2034 17.2113 k = 0.3333 0.5774 0.2420 ( 2985 PWs) bands (ev): -12.1640 -12.1639 -11.8776 -11.8775 -11.6817 -11.6817 -10.4385 -10.4384 -9.8608 -9.8602 -9.8556 -9.8553 -0.2202 -0.2197 0.2573 0.2581 1.5107 1.5109 1.5715 1.5716 1.9749 1.9757 3.0621 3.0656 3.0912 3.0943 3.2618 3.2648 3.4085 3.4093 5.0053 5.0101 5.6765 5.6831 5.7796 5.7829 6.3080 6.3093 6.6690 6.6789 6.6894 6.6993 7.1859 7.1901 7.5398 7.5411 7.7963 7.7966 12.8849 12.8859 13.0006 13.0012 13.0918 13.0920 17.2051 17.2080 17.2111 17.2185 k = 0.3333 0.5774 0.2541 ( 2985 PWs) bands (ev): -12.1637 -12.1636 -11.8590 -11.8589 -11.7016 -11.7016 -10.4448 -10.4447 -9.8567 -9.8560 -9.8528 -9.8523 -0.1699 -0.1694 0.2164 0.2172 1.4939 1.4941 1.5468 1.5468 2.0158 2.0165 3.0822 3.0855 3.1077 3.1111 3.2434 3.2463 3.3574 3.3581 5.0016 5.0054 5.6887 5.6951 5.7726 5.7764 6.3256 6.3268 6.6796 6.6897 6.6949 6.7050 7.1787 7.1821 7.5655 7.5666 7.7721 7.7724 12.8849 12.8857 13.0087 13.0092 13.0821 13.0822 17.2125 17.2150 17.2183 17.2264 k = 0.3333 0.5774 0.2662 ( 2973 PWs) bands (ev): -12.1633 -12.1633 -11.8400 -11.8400 -11.7216 -11.7215 -10.4498 -10.4497 -9.8536 -9.8527 -9.8506 -9.8499 -0.1192 -0.1186 0.1732 0.1740 1.4830 1.4831 1.5252 1.5252 2.0497 2.0502 3.1039 3.1072 3.1241 3.1280 3.2255 3.2283 3.3093 3.3100 4.9987 5.0016 5.7007 5.7070 5.7646 5.7687 6.3403 6.3412 6.6882 6.6984 6.6990 6.7093 7.1726 7.1753 7.5916 7.5924 7.7474 7.7476 12.8849 12.8855 13.0171 13.0176 13.0724 13.0726 17.2193 17.2207 17.2255 17.2347 k = 0.3333 0.5774 0.2783 ( 2967 PWs) bands (ev): -12.1631 -12.1631 -11.8208 -11.8207 -11.7416 -11.7415 -10.4533 -10.4532 -9.8514 -9.8503 -9.8490 -9.8482 -0.0684 -0.0678 0.1278 0.1286 1.4777 1.4778 1.5070 1.5071 2.0752 2.0755 3.1276 3.1312 3.1406 3.1453 3.2080 3.2105 3.2651 3.2656 4.9968 4.9987 5.7124 5.7186 5.7556 5.7601 6.3513 6.3519 6.6948 6.7016 6.7049 6.7120 7.1682 7.1700 7.6179 7.6185 7.7222 7.7223 12.8849 12.8854 13.0258 13.0262 13.0627 13.0630 17.2243 17.2250 17.2331 17.2432 k = 0.3333 0.5774 0.2904 ( 2982 PWs) bands (ev): -12.1630 -12.1629 -11.8012 -11.8012 -11.7616 -11.7615 -10.4554 -10.4554 -9.8501 -9.8487 -9.8481 -9.8471 -0.0179 -0.0172 0.0806 0.0813 1.4777 1.4778 1.4928 1.4929 2.0910 2.0912 3.1526 3.1571 3.1584 3.1644 3.1909 3.1929 3.2254 3.2256 4.9958 4.9968 5.7235 5.7297 5.7461 5.7506 6.3581 6.3585 6.6993 6.7027 6.7094 6.7132 7.1656 7.1665 7.6442 7.6446 7.6965 7.6966 12.8850 12.8852 13.0347 13.0350 13.0532 13.0535 17.2273 17.2275 17.2411 17.2515 k = 0.3333 0.5774 0.3025 ( 2982 PWs) bands (ev): -12.1629 -12.1629 -11.7825 -11.7815 -11.7815 -11.7803 -10.4561 -10.4561 -9.8497 -9.8480 -9.8480 -9.8467 0.0318 0.0320 0.0326 0.0326 1.4821 1.4830 1.4830 1.4838 2.0965 2.0965 3.1723 3.1740 3.1740 3.1756 3.1898 3.1898 3.1914 3.1914 4.9958 4.9958 5.7317 5.7385 5.7405 5.7405 6.3605 6.3605 6.7019 6.7019 6.7114 6.7131 7.1650 7.1650 7.6697 7.6707 7.6707 7.6712 12.8851 12.8851 13.0436 13.0439 13.0439 13.0448 17.2283 17.2283 17.2491 17.2491 Writing output data file SiO2.save init_run : 0.60s CPU 0.37s WALL ( 1 calls) electrons : 326.33s CPU 236.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.09s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 326.32s CPU 236.56s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.19s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.35s CPU 0.50s WALL ( 346 calls) cegterg : 296.60s CPU 218.78s WALL ( 596 calls) Called by sum_band: Called by *egterg: h_psi : 135.26s CPU 89.27s WALL ( 10492 calls) s_psi : 14.78s CPU 9.17s WALL ( 10492 calls) g_psi : 0.37s CPU 0.24s WALL ( 9550 calls) cdiaghg : 136.09s CPU 109.44s WALL ( 9896 calls) cegterg:over : 13.26s CPU 8.95s WALL ( 9550 calls) cegterg:upda : 10.12s CPU 7.51s WALL ( 9550 calls) cegterg:last : 5.38s CPU 3.75s WALL ( 1511 calls) cdiaghg:chol : 7.32s CPU 6.10s WALL ( 9896 calls) cdiaghg:inve : 5.20s CPU 4.19s WALL ( 9896 calls) cdiaghg:para : 8.32s CPU 6.91s WALL ( 19792 calls) Called by h_psi: h_psi:vloc : 100.83s CPU 66.94s WALL ( 10492 calls) h_psi:vnl : 34.06s CPU 22.08s WALL ( 10492 calls) add_vuspsi : 20.06s CPU 12.57s WALL ( 10492 calls) General routines calbec : 13.96s CPU 9.48s WALL ( 10492 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.01s CPU 0.00s WALL ( 4 calls) fftw : 93.20s CPU 61.72s WALL ( 1045804 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.47s CPU 0.74s WALL ( 692 calls) Parallel routines fft_scatter : 56.50s CPU 38.20s WALL ( 1045827 calls) PWSCF : 5m42.36s CPU 4m24.46s WALL This run was terminated on: 4:31:11 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=