Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:57:38 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TaNO.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 118 68 19 3450 1516 236 Max 119 69 21 3453 1537 238 Sum 4267 2479 721 124237 55011 8549 bravais-lattice index = 14 lattice parameter (alat) = 13.8139 a.u. unit-cell volume = 1261.6627 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 72.00 number of Kohn-Sham states= 86 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)= 13.813897 celldm(2)= 1.000000 celldm(3)= 0.552668 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 0.552668 ) 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 1.809406 ) 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 Ta read from file: /users/gautes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Ta 13.00 180.94790 Ta( 1.00) N 5.00 14.00670 N( 1.00) 24 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 264 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 2) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0037879 k( 3) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0037879 k( 4) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0037879 k( 5) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0037879 k( 6) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0037879 k( 7) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0037879 k( 8) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0037879 k( 9) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0037879 k( 10) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0037879 k( 11) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0037879 k( 12) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0037879 k( 13) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0037879 k( 14) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0037879 k( 15) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0037879 k( 16) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0037879 k( 17) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0037879 k( 18) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0037879 k( 19) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0037879 k( 20) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0037879 k( 21) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0037879 k( 22) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0037879 k( 23) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0037879 k( 24) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0037879 k( 25) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0037879 k( 26) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037879 k( 27) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037879 k( 28) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0037879 k( 29) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0037879 k( 30) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0037879 k( 31) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0037879 k( 32) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0037879 k( 33) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0037879 k( 34) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0037879 k( 35) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0037879 k( 36) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0037879 k( 37) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0037879 k( 38) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0037879 k( 39) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0037879 k( 40) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0037879 k( 41) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0037879 k( 42) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037879 k( 43) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037879 k( 44) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0037879 k( 45) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0037879 k( 46) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0037879 k( 47) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0037879 k( 48) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0037879 k( 49) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0037879 k( 50) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0037879 k( 51) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0037879 k( 52) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0037879 k( 53) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0037879 k( 54) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0037879 k( 55) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0037879 k( 56) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0037879 k( 57) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0037879 k( 58) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0037879 k( 59) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0037879 k( 60) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0037879 k( 61) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0037879 k( 62) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0037879 k( 63) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0037879 k( 64) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0037879 k( 65) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0037879 k( 66) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0037879 k( 67) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0037879 k( 68) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0037879 k( 69) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0037879 k( 70) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0037879 k( 71) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0037879 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 74) = ( 0.0000000 0.0000000 0.0231975), wk = 0.0037879 k( 75) = ( 0.0000000 0.0000000 0.0463950), wk = 0.0037879 k( 76) = ( 0.0000000 0.0000000 0.0695925), wk = 0.0037879 k( 77) = ( 0.0000000 0.0000000 0.0927900), wk = 0.0037879 k( 78) = ( 0.0000000 0.0000000 0.1159876), wk = 0.0037879 k( 79) = ( 0.0000000 0.0000000 0.1391851), wk = 0.0037879 k( 80) = ( 0.0000000 0.0000000 0.1623826), wk = 0.0037879 k( 81) = ( 0.0000000 0.0000000 0.1855801), wk = 0.0037879 k( 82) = ( 0.0000000 0.0000000 0.2087776), wk = 0.0037879 k( 83) = ( 0.0000000 0.0000000 0.2319751), wk = 0.0037879 k( 84) = ( 0.0000000 0.0000000 0.2551726), wk = 0.0037879 k( 85) = ( 0.0000000 0.0000000 0.2783701), wk = 0.0037879 k( 86) = ( 0.0000000 0.0000000 0.3015677), wk = 0.0037879 k( 87) = ( 0.0000000 0.0000000 0.3247652), wk = 0.0037879 k( 88) = ( 0.0000000 0.0000000 0.3479627), wk = 0.0037879 k( 89) = ( 0.0000000 0.0000000 0.3711602), wk = 0.0037879 k( 90) = ( 0.0000000 0.0000000 0.3943577), wk = 0.0037879 k( 91) = ( 0.0000000 0.0000000 0.4175552), wk = 0.0037879 k( 92) = ( 0.0000000 0.0000000 0.4407527), wk = 0.0037879 k( 93) = ( 0.0000000 0.0000000 0.4639502), wk = 0.0037879 k( 94) = ( 0.0000000 0.0000000 0.4871478), wk = 0.0037879 k( 95) = ( 0.0000000 0.0000000 0.5103453), wk = 0.0037879 k( 96) = ( 0.0000000 0.0000000 0.5335428), wk = 0.0037879 k( 97) = ( 0.0000000 0.0000000 0.5567403), wk = 0.0037879 k( 98) = ( 0.0000000 0.0000000 0.5799378), wk = 0.0037879 k( 99) = ( 0.0000000 0.0000000 0.6031353), wk = 0.0037879 k( 100) = ( 0.0000000 0.0000000 0.6263328), wk = 0.0037879 k( 101) = ( 0.0000000 0.0000000 0.6495303), wk = 0.0037879 k( 102) = ( 0.0000000 0.0000000 0.6727278), wk = 0.0037879 k( 103) = ( 0.0000000 0.0000000 0.6959254), wk = 0.0037879 k( 104) = ( 0.0000000 0.0000000 0.7191229), wk = 0.0037879 k( 105) = ( 0.0000000 0.0000000 0.7423204), wk = 0.0037879 k( 106) = ( 0.0000000 0.0000000 0.7655179), wk = 0.0037879 k( 107) = ( 0.0000000 0.0000000 0.7887154), wk = 0.0037879 k( 108) = ( 0.0000000 0.0000000 0.8119129), wk = 0.0037879 k( 109) = ( 0.0000000 0.0000000 0.8351104), wk = 0.0037879 k( 110) = ( 0.0000000 0.0000000 0.8583079), wk = 0.0037879 k( 111) = ( 0.0000000 0.0000000 0.8815055), wk = 0.0037879 k( 112) = ( 0.0000000 0.0000000 0.9047030), wk = 0.0037879 k( 113) = ( 0.0000000 0.0000000 0.9047030), wk = 0.0037879 k( 114) = ( 0.0200000 0.0115470 0.9047030), wk = 0.0037879 k( 115) = ( 0.0400000 0.0230940 0.9047030), wk = 0.0037879 k( 116) = ( 0.0600000 0.0346410 0.9047030), wk = 0.0037879 k( 117) = ( 0.0800000 0.0461880 0.9047030), wk = 0.0037879 k( 118) = ( 0.1000000 0.0577350 0.9047030), wk = 0.0037879 k( 119) = ( 0.1200000 0.0692820 0.9047030), wk = 0.0037879 k( 120) = ( 0.1400000 0.0808290 0.9047030), wk = 0.0037879 k( 121) = ( 0.1600000 0.0923760 0.9047030), wk = 0.0037879 k( 122) = ( 0.1800000 0.1039230 0.9047030), wk = 0.0037879 k( 123) = ( 0.2000000 0.1154701 0.9047030), wk = 0.0037879 k( 124) = ( 0.2200000 0.1270171 0.9047030), wk = 0.0037879 k( 125) = ( 0.2400000 0.1385641 0.9047030), wk = 0.0037879 k( 126) = ( 0.2600000 0.1501111 0.9047030), wk = 0.0037879 k( 127) = ( 0.2800000 0.1616581 0.9047030), wk = 0.0037879 k( 128) = ( 0.3000000 0.1732051 0.9047030), wk = 0.0037879 k( 129) = ( 0.3200000 0.1847521 0.9047030), wk = 0.0037879 k( 130) = ( 0.3400000 0.1962991 0.9047030), wk = 0.0037879 k( 131) = ( 0.3600000 0.2078461 0.9047030), wk = 0.0037879 k( 132) = ( 0.3800000 0.2193931 0.9047030), wk = 0.0037879 k( 133) = ( 0.4000000 0.2309401 0.9047030), wk = 0.0037879 k( 134) = ( 0.4200000 0.2424871 0.9047030), wk = 0.0037879 k( 135) = ( 0.4400000 0.2540341 0.9047030), wk = 0.0037879 k( 136) = ( 0.4600000 0.2655811 0.9047030), wk = 0.0037879 k( 137) = ( 0.4800000 0.2771281 0.9047030), wk = 0.0037879 k( 138) = ( 0.5000000 0.2886751 0.9047030), wk = 0.0037879 k( 139) = ( 0.5000000 0.2886751 0.9047030), wk = 0.0037879 k( 140) = ( 0.4888889 0.3079201 0.9047030), wk = 0.0037879 k( 141) = ( 0.4777778 0.3271651 0.9047030), wk = 0.0037879 k( 142) = ( 0.4666667 0.3464102 0.9047030), wk = 0.0037879 k( 143) = ( 0.4555556 0.3656552 0.9047030), wk = 0.0037879 k( 144) = ( 0.4444444 0.3849002 0.9047030), wk = 0.0037879 k( 145) = ( 0.4333333 0.4041452 0.9047030), wk = 0.0037879 k( 146) = ( 0.4222222 0.4233902 0.9047030), wk = 0.0037879 k( 147) = ( 0.4111111 0.4426352 0.9047030), wk = 0.0037879 k( 148) = ( 0.4000000 0.4618802 0.9047030), wk = 0.0037879 k( 149) = ( 0.3888889 0.4811252 0.9047030), wk = 0.0037879 k( 150) = ( 0.3777778 0.5003702 0.9047030), wk = 0.0037879 k( 151) = ( 0.3666667 0.5196152 0.9047030), wk = 0.0037879 k( 152) = ( 0.3555556 0.5388603 0.9047030), wk = 0.0037879 k( 153) = ( 0.3444444 0.5581053 0.9047030), wk = 0.0037879 k( 154) = ( 0.3333333 0.5773503 0.9047030), wk = 0.0037879 k( 155) = ( 0.3333333 0.5773503 0.9047030), wk = 0.0037879 k( 156) = ( 0.3218391 0.5574416 0.9047030), wk = 0.0037879 k( 157) = ( 0.3103448 0.5375330 0.9047030), wk = 0.0037879 k( 158) = ( 0.2988506 0.5176244 0.9047030), wk = 0.0037879 k( 159) = ( 0.2873563 0.4977157 0.9047030), wk = 0.0037879 k( 160) = ( 0.2758621 0.4778071 0.9047030), wk = 0.0037879 k( 161) = ( 0.2643678 0.4578985 0.9047030), wk = 0.0037879 k( 162) = ( 0.2528736 0.4379899 0.9047030), wk = 0.0037879 k( 163) = ( 0.2413793 0.4180812 0.9047030), wk = 0.0037879 k( 164) = ( 0.2298851 0.3981726 0.9047030), wk = 0.0037879 k( 165) = ( 0.2183908 0.3782640 0.9047030), wk = 0.0037879 k( 166) = ( 0.2068966 0.3583553 0.9047030), wk = 0.0037879 k( 167) = ( 0.1954023 0.3384467 0.9047030), wk = 0.0037879 k( 168) = ( 0.1839080 0.3185381 0.9047030), wk = 0.0037879 k( 169) = ( 0.1724138 0.2986294 0.9047030), wk = 0.0037879 k( 170) = ( 0.1609195 0.2787208 0.9047030), wk = 0.0037879 k( 171) = ( 0.1494253 0.2588122 0.9047030), wk = 0.0037879 k( 172) = ( 0.1379310 0.2389036 0.9047030), wk = 0.0037879 k( 173) = ( 0.1264368 0.2189949 0.9047030), wk = 0.0037879 k( 174) = ( 0.1149425 0.1990863 0.9047030), wk = 0.0037879 k( 175) = ( 0.1034483 0.1791777 0.9047030), wk = 0.0037879 k( 176) = ( 0.0919540 0.1592690 0.9047030), wk = 0.0037879 k( 177) = ( 0.0804598 0.1393604 0.9047030), wk = 0.0037879 k( 178) = ( 0.0689655 0.1194518 0.9047030), wk = 0.0037879 k( 179) = ( 0.0574713 0.0995431 0.9047030), wk = 0.0037879 k( 180) = ( 0.0459770 0.0796345 0.9047030), wk = 0.0037879 k( 181) = ( 0.0344828 0.0597259 0.9047030), wk = 0.0037879 k( 182) = ( 0.0229885 0.0398173 0.9047030), wk = 0.0037879 k( 183) = ( 0.0114942 0.0199086 0.9047030), wk = 0.0037879 k( 184) = ( 0.0000000 0.0000000 0.9047030), wk = 0.0037879 k( 185) = ( 0.5000000 0.2886751 0.9047030), wk = 0.0037879 k( 186) = ( 0.5000000 0.2886751 0.8815055), wk = 0.0037879 k( 187) = ( 0.5000000 0.2886751 0.8583079), wk = 0.0037879 k( 188) = ( 0.5000000 0.2886751 0.8351104), wk = 0.0037879 k( 189) = ( 0.5000000 0.2886751 0.8119129), wk = 0.0037879 k( 190) = ( 0.5000000 0.2886751 0.7887154), wk = 0.0037879 k( 191) = ( 0.5000000 0.2886751 0.7655179), wk = 0.0037879 k( 192) = ( 0.5000000 0.2886751 0.7423204), wk = 0.0037879 k( 193) = ( 0.5000000 0.2886751 0.7191229), wk = 0.0037879 k( 194) = ( 0.5000000 0.2886751 0.6959254), wk = 0.0037879 k( 195) = ( 0.5000000 0.2886751 0.6727278), wk = 0.0037879 k( 196) = ( 0.5000000 0.2886751 0.6495303), wk = 0.0037879 k( 197) = ( 0.5000000 0.2886751 0.6263328), wk = 0.0037879 k( 198) = ( 0.5000000 0.2886751 0.6031353), wk = 0.0037879 k( 199) = ( 0.5000000 0.2886751 0.5799378), wk = 0.0037879 k( 200) = ( 0.5000000 0.2886751 0.5567403), wk = 0.0037879 k( 201) = ( 0.5000000 0.2886751 0.5335428), wk = 0.0037879 k( 202) = ( 0.5000000 0.2886751 0.5103453), wk = 0.0037879 k( 203) = ( 0.5000000 0.2886751 0.4871478), wk = 0.0037879 k( 204) = ( 0.5000000 0.2886751 0.4639502), wk = 0.0037879 k( 205) = ( 0.5000000 0.2886751 0.4407527), wk = 0.0037879 k( 206) = ( 0.5000000 0.2886751 0.4175552), wk = 0.0037879 k( 207) = ( 0.5000000 0.2886751 0.3943577), wk = 0.0037879 k( 208) = ( 0.5000000 0.2886751 0.3711602), wk = 0.0037879 k( 209) = ( 0.5000000 0.2886751 0.3479627), wk = 0.0037879 k( 210) = ( 0.5000000 0.2886751 0.3247652), wk = 0.0037879 k( 211) = ( 0.5000000 0.2886751 0.3015677), wk = 0.0037879 k( 212) = ( 0.5000000 0.2886751 0.2783701), wk = 0.0037879 k( 213) = ( 0.5000000 0.2886751 0.2551726), wk = 0.0037879 k( 214) = ( 0.5000000 0.2886751 0.2319751), wk = 0.0037879 k( 215) = ( 0.5000000 0.2886751 0.2087776), wk = 0.0037879 k( 216) = ( 0.5000000 0.2886751 0.1855801), wk = 0.0037879 k( 217) = ( 0.5000000 0.2886751 0.1623826), wk = 0.0037879 k( 218) = ( 0.5000000 0.2886751 0.1391851), wk = 0.0037879 k( 219) = ( 0.5000000 0.2886751 0.1159876), wk = 0.0037879 k( 220) = ( 0.5000000 0.2886751 0.0927900), wk = 0.0037879 k( 221) = ( 0.5000000 0.2886751 0.0695925), wk = 0.0037879 k( 222) = ( 0.5000000 0.2886751 0.0463950), wk = 0.0037879 k( 223) = ( 0.5000000 0.2886751 0.0231975), wk = 0.0037879 k( 224) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037879 k( 225) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037879 k( 226) = ( 0.3333333 0.5773503 0.0231975), wk = 0.0037879 k( 227) = ( 0.3333333 0.5773503 0.0463950), wk = 0.0037879 k( 228) = ( 0.3333333 0.5773503 0.0695925), wk = 0.0037879 k( 229) = ( 0.3333333 0.5773503 0.0927900), wk = 0.0037879 k( 230) = ( 0.3333333 0.5773503 0.1159876), wk = 0.0037879 k( 231) = ( 0.3333333 0.5773503 0.1391851), wk = 0.0037879 k( 232) = ( 0.3333333 0.5773503 0.1623826), wk = 0.0037879 k( 233) = ( 0.3333333 0.5773503 0.1855801), wk = 0.0037879 k( 234) = ( 0.3333333 0.5773503 0.2087776), wk = 0.0037879 k( 235) = ( 0.3333333 0.5773503 0.2319751), wk = 0.0037879 k( 236) = ( 0.3333333 0.5773503 0.2551726), wk = 0.0037879 k( 237) = ( 0.3333333 0.5773503 0.2783701), wk = 0.0037879 k( 238) = ( 0.3333333 0.5773503 0.3015677), wk = 0.0037879 k( 239) = ( 0.3333333 0.5773503 0.3247652), wk = 0.0037879 k( 240) = ( 0.3333333 0.5773503 0.3479627), wk = 0.0037879 k( 241) = ( 0.3333333 0.5773503 0.3711602), wk = 0.0037879 k( 242) = ( 0.3333333 0.5773503 0.3943577), wk = 0.0037879 k( 243) = ( 0.3333333 0.5773503 0.4175552), wk = 0.0037879 k( 244) = ( 0.3333333 0.5773503 0.4407527), wk = 0.0037879 k( 245) = ( 0.3333333 0.5773503 0.4639502), wk = 0.0037879 k( 246) = ( 0.3333333 0.5773503 0.4871478), wk = 0.0037879 k( 247) = ( 0.3333333 0.5773503 0.5103453), wk = 0.0037879 k( 248) = ( 0.3333333 0.5773503 0.5335428), wk = 0.0037879 k( 249) = ( 0.3333333 0.5773503 0.5567403), wk = 0.0037879 k( 250) = ( 0.3333333 0.5773503 0.5799378), wk = 0.0037879 k( 251) = ( 0.3333333 0.5773503 0.6031353), wk = 0.0037879 k( 252) = ( 0.3333333 0.5773503 0.6263328), wk = 0.0037879 k( 253) = ( 0.3333333 0.5773503 0.6495303), wk = 0.0037879 k( 254) = ( 0.3333333 0.5773503 0.6727278), wk = 0.0037879 k( 255) = ( 0.3333333 0.5773503 0.6959254), wk = 0.0037879 k( 256) = ( 0.3333333 0.5773503 0.7191229), wk = 0.0037879 k( 257) = ( 0.3333333 0.5773503 0.7423204), wk = 0.0037879 k( 258) = ( 0.3333333 0.5773503 0.7655179), wk = 0.0037879 k( 259) = ( 0.3333333 0.5773503 0.7887154), wk = 0.0037879 k( 260) = ( 0.3333333 0.5773503 0.8119129), wk = 0.0037879 k( 261) = ( 0.3333333 0.5773503 0.8351104), wk = 0.0037879 k( 262) = ( 0.3333333 0.5773503 0.8583079), wk = 0.0037879 k( 263) = ( 0.3333333 0.5773503 0.8815055), wk = 0.0037879 k( 264) = ( 0.3333333 0.5773503 0.9047030), wk = 0.0037879 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 2) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0037879 k( 3) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0037879 k( 4) = ( 0.0600000 -0.0000000 0.0000000), wk = 0.0037879 k( 5) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0037879 k( 6) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0037879 k( 7) = ( 0.1200000 -0.0000000 0.0000000), wk = 0.0037879 k( 8) = ( 0.1400000 -0.0000000 0.0000000), wk = 0.0037879 k( 9) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0037879 k( 10) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0037879 k( 11) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0037879 k( 12) = ( 0.2200000 0.0000000 0.0000000), wk = 0.0037879 k( 13) = ( 0.2400000 -0.0000000 0.0000000), wk = 0.0037879 k( 14) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0037879 k( 15) = ( 0.2800000 -0.0000000 0.0000000), wk = 0.0037879 k( 16) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0037879 k( 17) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0037879 k( 18) = ( 0.3400000 -0.0000000 0.0000000), wk = 0.0037879 k( 19) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0037879 k( 20) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0037879 k( 21) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0037879 k( 22) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0037879 k( 23) = ( 0.4400000 0.0000000 0.0000000), wk = 0.0037879 k( 24) = ( 0.4600000 -0.0000000 0.0000000), wk = 0.0037879 k( 25) = ( 0.4800000 -0.0000000 0.0000000), wk = 0.0037879 k( 26) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0037879 k( 27) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0037879 k( 28) = ( 0.4888889 0.0222222 -0.0000000), wk = 0.0037879 k( 29) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0037879 k( 30) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0037879 k( 31) = ( 0.4555556 0.0888889 -0.0000000), wk = 0.0037879 k( 32) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0037879 k( 33) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0037879 k( 34) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0037879 k( 35) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0037879 k( 36) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0037879 k( 37) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0037879 k( 38) = ( 0.3777778 0.2444444 -0.0000000), wk = 0.0037879 k( 39) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0037879 k( 40) = ( 0.3555556 0.2888889 -0.0000000), wk = 0.0037879 k( 41) = ( 0.3444444 0.3111111 -0.0000000), wk = 0.0037879 k( 42) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037879 k( 43) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037879 k( 44) = ( 0.3218391 0.3218391 -0.0000000), wk = 0.0037879 k( 45) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0037879 k( 46) = ( 0.2988506 0.2988506 0.0000000), wk = 0.0037879 k( 47) = ( 0.2873563 0.2873563 -0.0000000), wk = 0.0037879 k( 48) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0037879 k( 49) = ( 0.2643678 0.2643678 0.0000000), wk = 0.0037879 k( 50) = ( 0.2528736 0.2528736 -0.0000000), wk = 0.0037879 k( 51) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0037879 k( 52) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0037879 k( 53) = ( 0.2183908 0.2183908 0.0000000), wk = 0.0037879 k( 54) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0037879 k( 55) = ( 0.1954023 0.1954023 0.0000000), wk = 0.0037879 k( 56) = ( 0.1839080 0.1839080 0.0000000), wk = 0.0037879 k( 57) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0037879 k( 58) = ( 0.1609195 0.1609195 -0.0000000), wk = 0.0037879 k( 59) = ( 0.1494253 0.1494253 -0.0000000), wk = 0.0037879 k( 60) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0037879 k( 61) = ( 0.1264368 0.1264368 -0.0000000), wk = 0.0037879 k( 62) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0037879 k( 63) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0037879 k( 64) = ( 0.0919540 0.0919540 -0.0000000), wk = 0.0037879 k( 65) = ( 0.0804598 0.0804598 -0.0000000), wk = 0.0037879 k( 66) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0037879 k( 67) = ( 0.0574713 0.0574713 -0.0000000), wk = 0.0037879 k( 68) = ( 0.0459770 0.0459770 -0.0000000), wk = 0.0037879 k( 69) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0037879 k( 70) = ( 0.0229885 0.0229885 0.0000000), wk = 0.0037879 k( 71) = ( 0.0114942 0.0114942 -0.0000000), wk = 0.0037879 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037879 k( 74) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0037879 k( 75) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0037879 k( 76) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0037879 k( 77) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0037879 k( 78) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0037879 k( 79) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0037879 k( 80) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0037879 k( 81) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0037879 k( 82) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0037879 k( 83) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0037879 k( 84) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0037879 k( 85) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0037879 k( 86) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0037879 k( 87) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0037879 k( 88) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0037879 k( 89) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0037879 k( 90) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0037879 k( 91) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0037879 k( 92) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0037879 k( 93) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0037879 k( 94) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0037879 k( 95) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0037879 k( 96) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0037879 k( 97) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0037879 k( 98) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0037879 k( 99) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0037879 k( 100) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0037879 k( 101) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0037879 k( 102) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0037879 k( 103) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0037879 k( 104) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0037879 k( 105) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0037879 k( 106) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0037879 k( 107) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0037879 k( 108) = ( 0.0000000 0.0000000 0.4487180), wk = 0.0037879 k( 109) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0037879 k( 110) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0037879 k( 111) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0037879 k( 112) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037879 k( 113) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037879 k( 114) = ( 0.0200000 -0.0000000 0.5000000), wk = 0.0037879 k( 115) = ( 0.0400000 -0.0000000 0.5000000), wk = 0.0037879 k( 116) = ( 0.0600000 -0.0000000 0.5000000), wk = 0.0037879 k( 117) = ( 0.0800000 -0.0000000 0.5000000), wk = 0.0037879 k( 118) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0037879 k( 119) = ( 0.1200000 -0.0000000 0.5000000), wk = 0.0037879 k( 120) = ( 0.1400000 -0.0000000 0.5000000), wk = 0.0037879 k( 121) = ( 0.1600000 -0.0000000 0.5000000), wk = 0.0037879 k( 122) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0037879 k( 123) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0037879 k( 124) = ( 0.2200000 0.0000000 0.5000000), wk = 0.0037879 k( 125) = ( 0.2400000 -0.0000000 0.5000000), wk = 0.0037879 k( 126) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0037879 k( 127) = ( 0.2800000 -0.0000000 0.5000000), wk = 0.0037879 k( 128) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0037879 k( 129) = ( 0.3200000 -0.0000000 0.5000000), wk = 0.0037879 k( 130) = ( 0.3400000 -0.0000000 0.5000000), wk = 0.0037879 k( 131) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0037879 k( 132) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0037879 k( 133) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0037879 k( 134) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0037879 k( 135) = ( 0.4400000 0.0000000 0.5000000), wk = 0.0037879 k( 136) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0037879 k( 137) = ( 0.4800000 -0.0000000 0.5000000), wk = 0.0037879 k( 138) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037879 k( 139) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037879 k( 140) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0037879 k( 141) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0037879 k( 142) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0037879 k( 143) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0037879 k( 144) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0037879 k( 145) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0037879 k( 146) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0037879 k( 147) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0037879 k( 148) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0037879 k( 149) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0037879 k( 150) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0037879 k( 151) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0037879 k( 152) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0037879 k( 153) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0037879 k( 154) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037879 k( 155) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037879 k( 156) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0037879 k( 157) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0037879 k( 158) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0037879 k( 159) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0037879 k( 160) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0037879 k( 161) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0037879 k( 162) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0037879 k( 163) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0037879 k( 164) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0037879 k( 165) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0037879 k( 166) = ( 0.2068966 0.2068965 0.5000000), wk = 0.0037879 k( 167) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0037879 k( 168) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0037879 k( 169) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0037879 k( 170) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0037879 k( 171) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0037879 k( 172) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0037879 k( 173) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0037879 k( 174) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0037879 k( 175) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0037879 k( 176) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0037879 k( 177) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0037879 k( 178) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0037879 k( 179) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0037879 k( 180) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0037879 k( 181) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0037879 k( 182) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0037879 k( 183) = ( 0.0114942 0.0114942 0.5000000), wk = 0.0037879 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037879 k( 185) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037879 k( 186) = ( 0.5000000 -0.0000000 0.4871795), wk = 0.0037879 k( 187) = ( 0.5000000 -0.0000000 0.4743590), wk = 0.0037879 k( 188) = ( 0.5000000 -0.0000000 0.4615385), wk = 0.0037879 k( 189) = ( 0.5000000 -0.0000000 0.4487179), wk = 0.0037879 k( 190) = ( 0.5000000 -0.0000000 0.4358974), wk = 0.0037879 k( 191) = ( 0.5000000 -0.0000000 0.4230769), wk = 0.0037879 k( 192) = ( 0.5000000 -0.0000000 0.4102564), wk = 0.0037879 k( 193) = ( 0.5000000 -0.0000000 0.3974359), wk = 0.0037879 k( 194) = ( 0.5000000 -0.0000000 0.3846154), wk = 0.0037879 k( 195) = ( 0.5000000 -0.0000000 0.3717949), wk = 0.0037879 k( 196) = ( 0.5000000 -0.0000000 0.3589744), wk = 0.0037879 k( 197) = ( 0.5000000 -0.0000000 0.3461538), wk = 0.0037879 k( 198) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0037879 k( 199) = ( 0.5000000 -0.0000000 0.3205128), wk = 0.0037879 k( 200) = ( 0.5000000 -0.0000000 0.3076923), wk = 0.0037879 k( 201) = ( 0.5000000 -0.0000000 0.2948718), wk = 0.0037879 k( 202) = ( 0.5000000 -0.0000000 0.2820513), wk = 0.0037879 k( 203) = ( 0.5000000 -0.0000000 0.2692308), wk = 0.0037879 k( 204) = ( 0.5000000 -0.0000000 0.2564103), wk = 0.0037879 k( 205) = ( 0.5000000 -0.0000000 0.2435897), wk = 0.0037879 k( 206) = ( 0.5000000 -0.0000000 0.2307692), wk = 0.0037879 k( 207) = ( 0.5000000 -0.0000000 0.2179487), wk = 0.0037879 k( 208) = ( 0.5000000 -0.0000000 0.2051282), wk = 0.0037879 k( 209) = ( 0.5000000 -0.0000000 0.1923077), wk = 0.0037879 k( 210) = ( 0.5000000 -0.0000000 0.1794872), wk = 0.0037879 k( 211) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0037879 k( 212) = ( 0.5000000 -0.0000000 0.1538461), wk = 0.0037879 k( 213) = ( 0.5000000 -0.0000000 0.1410256), wk = 0.0037879 k( 214) = ( 0.5000000 -0.0000000 0.1282051), wk = 0.0037879 k( 215) = ( 0.5000000 -0.0000000 0.1153846), wk = 0.0037879 k( 216) = ( 0.5000000 -0.0000000 0.1025641), wk = 0.0037879 k( 217) = ( 0.5000000 -0.0000000 0.0897436), wk = 0.0037879 k( 218) = ( 0.5000000 -0.0000000 0.0769231), wk = 0.0037879 k( 219) = ( 0.5000000 -0.0000000 0.0641026), wk = 0.0037879 k( 220) = ( 0.5000000 -0.0000000 0.0512821), wk = 0.0037879 k( 221) = ( 0.5000000 -0.0000000 0.0384615), wk = 0.0037879 k( 222) = ( 0.5000000 -0.0000000 0.0256410), wk = 0.0037879 k( 223) = ( 0.5000000 -0.0000000 0.0128205), wk = 0.0037879 k( 224) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0037879 k( 225) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037879 k( 226) = ( 0.3333333 0.3333333 0.0128205), wk = 0.0037879 k( 227) = ( 0.3333333 0.3333333 0.0256410), wk = 0.0037879 k( 228) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0037879 k( 229) = ( 0.3333333 0.3333333 0.0512821), wk = 0.0037879 k( 230) = ( 0.3333333 0.3333333 0.0641026), wk = 0.0037879 k( 231) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0037879 k( 232) = ( 0.3333333 0.3333333 0.0897436), wk = 0.0037879 k( 233) = ( 0.3333333 0.3333333 0.1025641), wk = 0.0037879 k( 234) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0037879 k( 235) = ( 0.3333333 0.3333333 0.1282051), wk = 0.0037879 k( 236) = ( 0.3333333 0.3333333 0.1410256), wk = 0.0037879 k( 237) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0037879 k( 238) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0037879 k( 239) = ( 0.3333333 0.3333333 0.1794872), wk = 0.0037879 k( 240) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0037879 k( 241) = ( 0.3333333 0.3333333 0.2051282), wk = 0.0037879 k( 242) = ( 0.3333333 0.3333333 0.2179487), wk = 0.0037879 k( 243) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0037879 k( 244) = ( 0.3333333 0.3333333 0.2435897), wk = 0.0037879 k( 245) = ( 0.3333333 0.3333333 0.2564103), wk = 0.0037879 k( 246) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0037879 k( 247) = ( 0.3333333 0.3333333 0.2820513), wk = 0.0037879 k( 248) = ( 0.3333333 0.3333333 0.2948718), wk = 0.0037879 k( 249) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0037879 k( 250) = ( 0.3333333 0.3333333 0.3205128), wk = 0.0037879 k( 251) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037879 k( 252) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0037879 k( 253) = ( 0.3333333 0.3333333 0.3589744), wk = 0.0037879 k( 254) = ( 0.3333333 0.3333333 0.3717949), wk = 0.0037879 k( 255) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0037879 k( 256) = ( 0.3333333 0.3333333 0.3974359), wk = 0.0037879 k( 257) = ( 0.3333333 0.3333333 0.4102564), wk = 0.0037879 k( 258) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0037879 k( 259) = ( 0.3333333 0.3333333 0.4358974), wk = 0.0037879 k( 260) = ( 0.3333333 0.3333333 0.4487180), wk = 0.0037879 k( 261) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0037879 k( 262) = ( 0.3333333 0.3333333 0.4743590), wk = 0.0037879 k( 263) = ( 0.3333333 0.3333333 0.4871795), wk = 0.0037879 k( 264) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037879 Dense grid: 124237 G-vectors FFT dimensions: ( 80, 80, 45) Smooth grid: 55011 G-vectors FFT dimensions: ( 64, 64, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.53 Mb ( 406, 86) NL pseudopotentials 0.58 Mb ( 203, 186) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.03 Mb ( 3453) G-vector shells 0.01 Mb ( 1447) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.13 Mb ( 406, 344) Each subspace H/S matrix 0.11 Mb ( 86, 86) Each matrix 0.49 Mb ( 186, 2, 86) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./TaNO.save/charge-density.dat Starting wfc are 108 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 8.0 secs Computing kpt #: 6 total cpu time spent up to now is 9.2 secs Computing kpt #: 7 total cpu time spent up to now is 10.4 secs Computing kpt #: 8 total cpu time spent up to now is 11.6 secs Computing kpt #: 9 total cpu time spent up to now is 12.7 secs Computing kpt #: 10 total cpu time spent up to now is 13.9 secs Computing kpt #: 11 total cpu time spent up to now is 15.1 secs Computing kpt #: 12 total cpu time spent up to now is 16.2 secs Computing kpt #: 13 total cpu time spent up to now is 17.4 secs Computing kpt #: 14 total cpu time spent up to now is 18.5 secs Computing kpt #: 15 total cpu time spent up to now is 19.6 secs Computing kpt #: 16 total cpu time spent up to now is 20.8 secs Computing kpt #: 17 total cpu time spent up to now is 21.9 secs Computing kpt #: 18 total cpu time spent up to now is 23.1 secs Computing kpt #: 19 total cpu time spent up to now is 24.2 secs Computing kpt #: 20 total cpu time spent up to now is 25.4 secs Computing kpt #: 21 total cpu time spent up to now is 26.5 secs Computing kpt #: 22 total cpu time spent up to now is 27.7 secs Computing kpt #: 23 total cpu time spent up to now is 28.9 secs Computing kpt #: 24 total cpu time spent up to now is 29.9 secs Computing kpt #: 25 total cpu time spent up to now is 31.0 secs Computing kpt #: 26 total cpu time spent up to now is 32.1 secs Computing kpt #: 27 total cpu time spent up to now is 33.1 secs Computing kpt #: 28 total cpu time spent up to now is 34.1 secs Computing kpt #: 29 total cpu time spent up to now is 35.2 secs Computing kpt #: 30 total cpu time spent up to now is 36.2 secs Computing kpt #: 31 total cpu time spent up to now is 37.3 secs Computing kpt #: 32 total cpu time spent up to now is 38.4 secs Computing kpt #: 33 total cpu time spent up to now is 39.5 secs Computing kpt #: 34 total cpu time spent up to now is 40.6 secs Computing kpt #: 35 total cpu time spent up to now is 41.7 secs Computing kpt #: 36 total cpu time spent up to now is 42.8 secs Computing kpt #: 37 total cpu time spent up to now is 43.9 secs Computing kpt #: 38 total cpu time spent up to now is 45.1 secs Computing kpt #: 39 total cpu time spent up to now is 46.2 secs Computing kpt #: 40 total cpu time spent up to now is 47.3 secs Computing kpt #: 41 total cpu time spent up to now is 48.5 secs Computing kpt #: 42 total cpu time spent up to now is 49.8 secs Computing kpt #: 43 total cpu time spent up to now is 51.0 secs Computing kpt #: 44 total cpu time spent up to now is 52.2 secs Computing kpt #: 45 total cpu time spent up to now is 53.3 secs Computing kpt #: 46 total cpu time spent up to now is 54.3 secs Computing kpt #: 47 total cpu time spent up to now is 55.5 secs Computing kpt #: 48 total cpu time spent up to now is 56.6 secs Computing kpt #: 49 total cpu time spent up to now is 57.8 secs Computing kpt #: 50 total cpu time spent up to now is 59.0 secs Computing kpt #: 51 total cpu time spent up to now is 60.1 secs Computing kpt #: 52 total cpu time spent up to now is 61.3 secs Computing kpt #: 53 total cpu time spent up to now is 62.5 secs Computing kpt #: 54 total cpu time spent up to now is 63.6 secs Computing kpt #: 55 total cpu time spent up to now is 64.8 secs Computing kpt #: 56 total cpu time spent up to now is 65.9 secs Computing kpt #: 57 total cpu time spent up to now is 67.1 secs Computing kpt #: 58 total cpu time spent up to now is 68.2 secs Computing kpt #: 59 total cpu time spent up to now is 69.3 secs Computing kpt #: 60 total cpu time spent up to now is 70.5 secs Computing kpt #: 61 total cpu time spent up to now is 71.6 secs Computing kpt #: 62 total cpu time spent up to now is 72.8 secs Computing kpt #: 63 total cpu time spent up to now is 74.0 secs Computing kpt #: 64 total cpu time spent up to now is 75.1 secs Computing kpt #: 65 total cpu time spent up to now is 76.3 secs Computing kpt #: 66 total cpu time spent up to now is 77.5 secs Computing kpt #: 67 total cpu time spent up to now is 78.7 secs Computing kpt #: 68 total cpu time spent up to now is 79.9 secs Computing kpt #: 69 total cpu time spent up to now is 81.0 secs Computing kpt #: 70 total cpu time spent up to now is 82.2 secs Computing kpt #: 71 total cpu time spent up to now is 83.5 secs Computing kpt #: 72 total cpu time spent up to now is 84.8 secs Computing kpt #: 73 total cpu time spent up to now is 86.1 secs Computing kpt #: 74 total cpu time spent up to now is 87.4 secs Computing kpt #: 75 total cpu time spent up to now is 88.6 secs Computing kpt #: 76 total cpu time spent up to now is 89.7 secs Computing kpt #: 77 total cpu time spent up to now is 90.9 secs Computing kpt #: 78 total cpu time spent up to now is 92.1 secs Computing kpt #: 79 total cpu time spent up to now is 93.2 secs Computing kpt #: 80 total cpu time spent up to now is 94.4 secs Computing kpt #: 81 total cpu time spent up to now is 95.5 secs Computing kpt #: 82 total cpu time spent up to now is 96.7 secs Computing kpt #: 83 total cpu time spent up to now is 97.9 secs Computing kpt #: 84 total cpu time spent up to now is 99.1 secs Computing kpt #: 85 total cpu time spent up to now is 100.2 secs Computing kpt #: 86 total cpu time spent up to now is 101.4 secs Computing kpt #: 87 total cpu time spent up to now is 102.6 secs Computing kpt #: 88 total cpu time spent up to now is 103.7 secs Computing kpt #: 89 total cpu time spent up to now is 104.9 secs Computing kpt #: 90 total cpu time spent up to now is 106.0 secs Computing kpt #: 91 total cpu time spent up to now is 107.2 secs Computing kpt #: 92 total cpu time spent up to now is 108.4 secs Computing kpt #: 93 total cpu time spent up to now is 109.7 secs Computing kpt #: 94 total cpu time spent up to now is 110.9 secs Computing kpt #: 95 total cpu time spent up to now is 112.1 secs Computing kpt #: 96 total cpu time spent up to now is 113.5 secs Computing kpt #: 97 total cpu time spent up to now is 114.8 secs Computing kpt #: 98 total cpu time spent up to now is 116.2 secs Computing kpt #: 99 total cpu time spent up to now is 117.5 secs Computing kpt #: 100 total cpu time spent up to now is 118.8 secs Computing kpt #: 101 total cpu time spent up to now is 120.1 secs Computing kpt #: 102 total cpu time spent up to now is 121.4 secs Computing kpt #: 103 total cpu time spent up to now is 122.8 secs Computing kpt #: 104 total cpu time spent up to now is 123.9 secs Computing kpt #: 105 total cpu time spent up to now is 125.0 secs Computing kpt #: 106 total cpu time spent up to now is 126.1 secs Computing kpt #: 107 total cpu time spent up to now is 127.2 secs Computing kpt #: 108 total cpu time spent up to now is 128.3 secs Computing kpt #: 109 total cpu time spent up to now is 129.4 secs Computing kpt #: 110 total cpu time spent up to now is 130.4 secs Computing kpt #: 111 total cpu time spent up to now is 131.4 secs Computing kpt #: 112 total cpu time spent up to now is 132.5 secs Computing kpt #: 113 total cpu time spent up to now is 133.5 secs Computing kpt #: 114 total cpu time spent up to now is 134.5 secs Computing kpt #: 115 total cpu time spent up to now is 135.5 secs Computing kpt #: 116 total cpu time spent up to now is 136.6 secs Computing kpt #: 117 total cpu time spent up to now is 137.6 secs Computing kpt #: 118 total cpu time spent up to now is 138.6 secs Computing kpt #: 119 total cpu time spent up to now is 139.7 secs Computing kpt #: 120 total cpu time spent up to now is 140.8 secs Computing kpt #: 121 total cpu time spent up to now is 141.8 secs Computing kpt #: 122 total cpu time spent up to now is 142.9 secs Computing kpt #: 123 total cpu time spent up to now is 144.1 secs Computing kpt #: 124 total cpu time spent up to now is 145.4 secs Computing kpt #: 125 total cpu time spent up to now is 146.7 secs Computing kpt #: 126 total cpu time spent up to now is 148.1 secs Computing kpt #: 127 total cpu time spent up to now is 149.4 secs Computing kpt #: 128 total cpu time spent up to now is 150.8 secs Computing kpt #: 129 total cpu time spent up to now is 152.1 secs Computing kpt #: 130 total cpu time spent up to now is 153.5 secs Computing kpt #: 131 total cpu time spent up to now is 154.9 secs Computing kpt #: 132 total cpu time spent up to now is 156.3 secs Computing kpt #: 133 total cpu time spent up to now is 157.6 secs Computing kpt #: 134 total cpu time spent up to now is 159.0 secs Computing kpt #: 135 total cpu time spent up to now is 160.4 secs Computing kpt #: 136 total cpu time spent up to now is 162.2 secs Computing kpt #: 137 total cpu time spent up to now is 163.6 secs Computing kpt #: 138 total cpu time spent up to now is 165.0 secs Computing kpt #: 139 total cpu time spent up to now is 166.4 secs Computing kpt #: 140 total cpu time spent up to now is 167.7 secs Computing kpt #: 141 total cpu time spent up to now is 169.1 secs Computing kpt #: 142 total cpu time spent up to now is 170.5 secs Computing kpt #: 143 total cpu time spent up to now is 171.9 secs Computing kpt #: 144 total cpu time spent up to now is 173.3 secs Computing kpt #: 145 total cpu time spent up to now is 174.6 secs Computing kpt #: 146 total cpu time spent up to now is 176.0 secs Computing kpt #: 147 total cpu time spent up to now is 177.2 secs Computing kpt #: 148 total cpu time spent up to now is 178.6 secs Computing kpt #: 149 total cpu time spent up to now is 180.0 secs Computing kpt #: 150 total cpu time spent up to now is 181.2 secs Computing kpt #: 151 total cpu time spent up to now is 182.6 secs Computing kpt #: 152 total cpu time spent up to now is 184.0 secs Computing kpt #: 153 total cpu time spent up to now is 185.4 secs Computing kpt #: 154 total cpu time spent up to now is 186.7 secs Computing kpt #: 155 total cpu time spent up to now is 188.0 secs Computing kpt #: 156 total cpu time spent up to now is 189.2 secs Computing kpt #: 157 total cpu time spent up to now is 190.6 secs Computing kpt #: 158 total cpu time spent up to now is 192.0 secs Computing kpt #: 159 total cpu time spent up to now is 193.3 secs Computing kpt #: 160 total cpu time spent up to now is 194.6 secs Computing kpt #: 161 total cpu time spent up to now is 196.0 secs Computing kpt #: 162 total cpu time spent up to now is 197.3 secs Computing kpt #: 163 total cpu time spent up to now is 198.7 secs Computing kpt #: 164 total cpu time spent up to now is 200.1 secs Computing kpt #: 165 total cpu time spent up to now is 201.4 secs Computing kpt #: 166 total cpu time spent up to now is 202.8 secs Computing kpt #: 167 total cpu time spent up to now is 204.1 secs Computing kpt #: 168 total cpu time spent up to now is 205.5 secs Computing kpt #: 169 total cpu time spent up to now is 206.8 secs Computing kpt #: 170 total cpu time spent up to now is 208.2 secs Computing kpt #: 171 total cpu time spent up to now is 209.5 secs Computing kpt #: 172 total cpu time spent up to now is 210.7 secs Computing kpt #: 173 total cpu time spent up to now is 212.0 secs Computing kpt #: 174 total cpu time spent up to now is 213.2 secs Computing kpt #: 175 total cpu time spent up to now is 214.4 secs Computing kpt #: 176 total cpu time spent up to now is 215.4 secs Computing kpt #: 177 total cpu time spent up to now is 216.5 secs Computing kpt #: 178 total cpu time spent up to now is 217.6 secs Computing kpt #: 179 total cpu time spent up to now is 218.6 secs Computing kpt #: 180 total cpu time spent up to now is 219.6 secs Computing kpt #: 181 total cpu time spent up to now is 220.6 secs Computing kpt #: 182 total cpu time spent up to now is 221.7 secs Computing kpt #: 183 total cpu time spent up to now is 222.7 secs Computing kpt #: 184 total cpu time spent up to now is 223.7 secs Computing kpt #: 185 total cpu time spent up to now is 225.1 secs Computing kpt #: 186 total cpu time spent up to now is 226.5 secs Computing kpt #: 187 total cpu time spent up to now is 227.9 secs Computing kpt #: 188 total cpu time spent up to now is 229.3 secs Computing kpt #: 189 total cpu time spent up to now is 230.7 secs Computing kpt #: 190 total cpu time spent up to now is 231.9 secs Computing kpt #: 191 total cpu time spent up to now is 233.1 secs Computing kpt #: 192 total cpu time spent up to now is 234.4 secs Computing kpt #: 193 total cpu time spent up to now is 235.6 secs Computing kpt #: 194 total cpu time spent up to now is 236.8 secs Computing kpt #: 195 total cpu time spent up to now is 238.0 secs Computing kpt #: 196 total cpu time spent up to now is 239.3 secs Computing kpt #: 197 total cpu time spent up to now is 240.5 secs Computing kpt #: 198 total cpu time spent up to now is 241.7 secs Computing kpt #: 199 total cpu time spent up to now is 242.8 secs Computing kpt #: 200 total cpu time spent up to now is 244.0 secs Computing kpt #: 201 total cpu time spent up to now is 245.2 secs Computing kpt #: 202 total cpu time spent up to now is 246.3 secs Computing kpt #: 203 total cpu time spent up to now is 247.5 secs Computing kpt #: 204 total cpu time spent up to now is 248.7 secs Computing kpt #: 205 total cpu time spent up to now is 249.8 secs Computing kpt #: 206 total cpu time spent up to now is 251.0 secs Computing kpt #: 207 total cpu time spent up to now is 252.2 secs Computing kpt #: 208 total cpu time spent up to now is 253.4 secs Computing kpt #: 209 total cpu time spent up to now is 254.6 secs Computing kpt #: 210 total cpu time spent up to now is 255.8 secs Computing kpt #: 211 total cpu time spent up to now is 256.9 secs Computing kpt #: 212 total cpu time spent up to now is 258.4 secs Computing kpt #: 213 total cpu time spent up to now is 259.6 secs Computing kpt #: 214 total cpu time spent up to now is 260.8 secs Computing kpt #: 215 total cpu time spent up to now is 262.0 secs Computing kpt #: 216 total cpu time spent up to now is 263.2 secs Computing kpt #: 217 total cpu time spent up to now is 264.4 secs Computing kpt #: 218 total cpu time spent up to now is 265.7 secs Computing kpt #: 219 total cpu time spent up to now is 266.9 secs Computing kpt #: 220 total cpu time spent up to now is 268.1 secs Computing kpt #: 221 total cpu time spent up to now is 269.3 secs Computing kpt #: 222 total cpu time spent up to now is 270.5 secs Computing kpt #: 223 total cpu time spent up to now is 271.7 secs Computing kpt #: 224 total cpu time spent up to now is 272.7 secs Computing kpt #: 225 total cpu time spent up to now is 273.8 secs Computing kpt #: 226 total cpu time spent up to now is 275.0 secs Computing kpt #: 227 total cpu time spent up to now is 276.2 secs Computing kpt #: 228 total cpu time spent up to now is 277.3 secs Computing kpt #: 229 total cpu time spent up to now is 278.4 secs Computing kpt #: 230 total cpu time spent up to now is 279.6 secs Computing kpt #: 231 total cpu time spent up to now is 280.7 secs Computing kpt #: 232 total cpu time spent up to now is 281.9 secs Computing kpt #: 233 total cpu time spent up to now is 283.0 secs Computing kpt #: 234 total cpu time spent up to now is 284.2 secs Computing kpt #: 235 total cpu time spent up to now is 285.3 secs Computing kpt #: 236 total cpu time spent up to now is 286.5 secs Computing kpt #: 237 total cpu time spent up to now is 287.6 secs Computing kpt #: 238 total cpu time spent up to now is 288.7 secs Computing kpt #: 239 total cpu time spent up to now is 289.9 secs Computing kpt #: 240 total cpu time spent up to now is 291.0 secs Computing kpt #: 241 total cpu time spent up to now is 292.2 secs Computing kpt #: 242 total cpu time spent up to now is 293.3 secs Computing kpt #: 243 total cpu time spent up to now is 294.5 secs Computing kpt #: 244 total cpu time spent up to now is 295.6 secs Computing kpt #: 245 total cpu time spent up to now is 296.8 secs Computing kpt #: 246 total cpu time spent up to now is 298.0 secs Computing kpt #: 247 total cpu time spent up to now is 299.1 secs Computing kpt #: 248 total cpu time spent up to now is 300.3 secs Computing kpt #: 249 total cpu time spent up to now is 301.5 secs Computing kpt #: 250 total cpu time spent up to now is 302.7 secs Computing kpt #: 251 total cpu time spent up to now is 303.9 secs Computing kpt #: 252 total cpu time spent up to now is 305.1 secs Computing kpt #: 253 total cpu time spent up to now is 306.5 secs Computing kpt #: 254 total cpu time spent up to now is 307.9 secs Computing kpt #: 255 total cpu time spent up to now is 309.3 secs Computing kpt #: 256 total cpu time spent up to now is 310.6 secs Computing kpt #: 257 total cpu time spent up to now is 311.9 secs Computing kpt #: 258 total cpu time spent up to now is 313.1 secs Computing kpt #: 259 total cpu time spent up to now is 314.4 secs Computing kpt #: 260 total cpu time spent up to now is 315.7 secs Computing kpt #: 261 total cpu time spent up to now is 316.9 secs Computing kpt #: 262 total cpu time spent up to now is 318.3 secs Computing kpt #: 263 total cpu time spent up to now is 319.6 secs Computing kpt #: 264 total cpu time spent up to now is 320.9 secs ethr = 1.39E-08, avg # of iterations = 19.0 total cpu time spent up to now is 320.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6869 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3980 -36.3980 -36.3945 -36.3945 -29.3820 -29.3820 -29.2922 -29.2922 -27.6712 -27.6712 -27.6681 -27.6681 -27.6612 -27.6612 -27.6443 -27.6443 -14.5251 -14.5251 -13.0303 -13.0303 -12.9982 -12.9982 -8.1325 -8.1325 -7.6192 -7.6192 -7.4541 -7.4541 0.4927 0.4927 0.5008 0.5008 0.8745 0.8745 0.8936 0.8936 1.3064 1.3064 1.3642 1.3642 1.8789 1.8789 2.1142 2.1142 2.2591 2.2591 2.3058 2.3058 2.4734 2.4734 2.5026 2.5026 3.2149 3.2149 3.2872 3.2872 3.7662 3.7662 3.7836 3.7836 3.8684 3.8684 4.1911 4.1911 4.2386 4.2386 4.6691 4.6691 4.7458 4.7458 4.8071 4.8071 5.0857 5.0857 6.2706 6.2706 6.4760 6.4760 k = 0.0200 0.0115-0.0000 ( 6873 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3980 -36.3980 -36.3945 -36.3945 -29.3820 -29.3820 -29.2922 -29.2922 -27.6712 -27.6712 -27.6681 -27.6681 -27.6612 -27.6612 -27.6443 -27.6443 -14.5251 -14.5251 -13.0303 -13.0303 -12.9983 -12.9983 -8.1320 -8.1320 -7.6194 -7.6194 -7.4546 -7.4546 0.4937 0.4937 0.5008 0.5008 0.8747 0.8747 0.8939 0.8939 1.3064 1.3064 1.3639 1.3639 1.8786 1.8786 2.1140 2.1140 2.2585 2.2585 2.3049 2.3049 2.4736 2.4736 2.5028 2.5028 3.2154 3.2154 3.2876 3.2876 3.7472 3.7472 3.7961 3.7961 3.8744 3.8744 4.1701 4.1701 4.2563 4.2563 4.6666 4.6666 4.7463 4.7463 4.8105 4.8105 5.0862 5.0862 6.2723 6.2723 6.4776 6.4776 k = 0.0400 0.0231-0.0000 ( 6873 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3980 -36.3980 -36.3945 -36.3945 -29.3820 -29.3820 -29.2922 -29.2922 -27.6711 -27.6711 -27.6681 -27.6681 -27.6612 -27.6612 -27.6444 -27.6444 -14.5251 -14.5251 -13.0302 -13.0302 -12.9984 -12.9984 -8.1306 -8.1306 -7.6199 -7.6199 -7.4558 -7.4558 0.4967 0.4967 0.5011 0.5011 0.8753 0.8753 0.8948 0.8948 1.3061 1.3061 1.3631 1.3631 1.8778 1.8778 2.1136 2.1136 2.2564 2.2564 2.3025 2.3025 2.4741 2.4741 2.5035 2.5035 3.2166 3.2166 3.2886 3.2886 3.7188 3.7188 3.8046 3.8046 3.8932 3.8932 4.1330 4.1330 4.2840 4.2840 4.6591 4.6591 4.7476 4.7476 4.8205 4.8205 5.0878 5.0878 6.2773 6.2773 6.4827 6.4827 k = 0.0600 0.0346-0.0000 ( 6868 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3980 -36.3980 -36.3945 -36.3945 -29.3820 -29.3820 -29.2922 -29.2922 -27.6711 -27.6711 -27.6681 -27.6681 -27.6611 -27.6611 -27.6445 -27.6445 -14.5250 -14.5250 -13.0300 -13.0300 -12.9985 -12.9985 -8.1282 -8.1282 -7.6208 -7.6208 -7.4578 -7.4578 0.5006 0.5006 0.5025 0.5025 0.8764 0.8764 0.8962 0.8962 1.3055 1.3055 1.3619 1.3619 1.8765 1.8765 2.1128 2.1128 2.2525 2.2525 2.2988 2.2988 2.4750 2.4750 2.5046 2.5046 3.2187 3.2187 3.2905 3.2905 3.6882 3.6882 3.8040 3.8040 3.9222 3.9222 4.0915 4.0915 4.3108 4.3108 4.6468 4.6468 4.7497 4.7497 4.8365 4.8365 5.0905 5.0905 6.2852 6.2852 6.4914 6.4914 k = 0.0800 0.0462-0.0000 ( 6860 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1190 -38.1190 -36.3979 -36.3979 -36.3945 -36.3945 -29.3820 -29.3820 -29.2922 -29.2922 -27.6710 -27.6710 -27.6681 -27.6681 -27.6611 -27.6611 -27.6446 -27.6446 -14.5250 -14.5250 -13.0298 -13.0298 -12.9987 -12.9987 -8.1249 -8.1249 -7.6221 -7.6221 -7.4606 -7.4606 0.5014 0.5014 0.5090 0.5090 0.8779 0.8779 0.8983 0.8983 1.3042 1.3042 1.3607 1.3607 1.8746 1.8746 2.1117 2.1117 2.2464 2.2464 2.2948 2.2948 2.4760 2.4760 2.5063 2.5063 3.2212 3.2212 3.2935 3.2935 3.6561 3.6561 3.7972 3.7972 3.9572 3.9572 4.0482 4.0482 4.3356 4.3356 4.6302 4.6302 4.7525 4.7525 4.8576 4.8576 5.0943 5.0943 6.2953 6.2953 6.5041 6.5041 k = 0.1000 0.0577-0.0000 ( 6864 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3979 -36.3979 -36.3945 -36.3945 -29.3820 -29.3820 -29.2922 -29.2922 -27.6710 -27.6710 -27.6681 -27.6681 -27.6610 -27.6610 -27.6447 -27.6447 -14.5250 -14.5250 -13.0296 -13.0296 -12.9989 -12.9989 -8.1207 -8.1207 -7.6239 -7.6239 -7.4640 -7.4640 0.5018 0.5018 0.5177 0.5177 0.8798 0.8798 0.9010 0.9010 1.3017 1.3017 1.3601 1.3601 1.8722 1.8722 2.1103 2.1103 2.2378 2.2378 2.2910 2.2910 2.4770 2.4770 2.5086 2.5086 3.2240 3.2240 3.2976 3.2976 3.6224 3.6224 3.7859 3.7859 3.9883 3.9883 4.0118 4.0118 4.3588 4.3588 4.6097 4.6097 4.7561 4.7561 4.8826 4.8826 5.0993 5.0993 6.3066 6.3066 6.5212 6.5212 k = 0.1200 0.0693-0.0000 ( 6864 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3979 -36.3979 -36.3946 -36.3946 -29.3820 -29.3820 -29.2922 -29.2922 -27.6709 -27.6709 -27.6680 -27.6680 -27.6609 -27.6609 -27.6449 -27.6449 -14.5250 -14.5250 -13.0293 -13.0293 -12.9992 -12.9992 -8.1156 -8.1156 -7.6261 -7.6261 -7.4681 -7.4681 0.5023 0.5023 0.5283 0.5283 0.8820 0.8820 0.9044 0.9044 1.2976 1.2976 1.3604 1.3604 1.8693 1.8693 2.1086 2.1086 2.2266 2.2266 2.2878 2.2878 2.4779 2.4779 2.5117 2.5117 3.2269 3.2269 3.3033 3.3033 3.5871 3.5871 3.7703 3.7703 3.9554 3.9554 4.0425 4.0425 4.3808 4.3808 4.5857 4.5857 4.7604 4.7604 4.9105 4.9105 5.1057 5.1057 6.3183 6.3183 6.5430 6.5430 k = 0.1400 0.0808-0.0000 ( 6868 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3979 -36.3979 -36.3946 -36.3946 -29.3820 -29.3820 -29.2922 -29.2922 -27.6708 -27.6708 -27.6680 -27.6680 -27.6608 -27.6608 -27.6452 -27.6452 -14.5250 -14.5250 -13.0289 -13.0289 -12.9996 -12.9996 -8.1096 -8.1096 -7.6288 -7.6288 -7.4727 -7.4727 0.5029 0.5029 0.5405 0.5405 0.8846 0.8846 0.9084 0.9084 1.2919 1.2919 1.3618 1.3618 1.8660 1.8660 2.1066 2.1066 2.2132 2.2132 2.2853 2.2853 2.4786 2.4786 2.5156 2.5156 3.2294 3.2294 3.3108 3.3108 3.5503 3.5503 3.7502 3.7502 3.9134 3.9134 4.0858 4.0858 4.4023 4.4023 4.5591 4.5591 4.7656 4.7656 4.9400 4.9400 5.1136 5.1136 6.3296 6.3296 6.5696 6.5696 k = 0.1600 0.0924-0.0000 ( 6880 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3978 -36.3978 -36.3947 -36.3947 -29.3820 -29.3820 -29.2922 -29.2922 -27.6707 -27.6707 -27.6680 -27.6680 -27.6607 -27.6607 -27.6454 -27.6454 -14.5250 -14.5250 -13.0285 -13.0285 -13.0000 -13.0000 -8.1028 -8.1028 -7.6321 -7.6321 -7.4776 -7.4776 0.5036 0.5036 0.5542 0.5542 0.8874 0.8874 0.9132 0.9132 1.2844 1.2844 1.3646 1.3646 1.8621 1.8621 2.1045 2.1045 2.1981 2.1981 2.2833 2.2833 2.4791 2.4791 2.5204 2.5204 3.2315 3.2315 3.3201 3.3201 3.5122 3.5122 3.7246 3.7246 3.8745 3.8745 4.1300 4.1300 4.4234 4.4234 4.5310 4.5310 4.7718 4.7718 4.9701 4.9701 5.1233 5.1233 6.3400 6.3400 6.6011 6.6011 k = 0.1800 0.1039-0.0000 ( 6880 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3978 -36.3978 -36.3947 -36.3947 -29.3820 -29.3820 -29.2922 -29.2922 -27.6706 -27.6706 -27.6679 -27.6679 -27.6606 -27.6606 -27.6457 -27.6457 -14.5250 -14.5250 -13.0281 -13.0281 -13.0004 -13.0004 -8.0951 -8.0951 -7.6361 -7.6361 -7.4829 -7.4829 0.5043 0.5043 0.5692 0.5692 0.8905 0.8905 0.9188 0.9188 1.2756 1.2756 1.3683 1.3683 1.8577 1.8577 2.1021 2.1021 2.1818 2.1818 2.2817 2.2817 2.4793 2.4793 2.5261 2.5261 3.2331 3.2331 3.3312 3.3312 3.4729 3.4729 3.6930 3.6930 3.8405 3.8405 4.1733 4.1733 4.4416 4.4416 4.5052 4.5052 4.7791 4.7791 4.9994 4.9994 5.1355 5.1355 6.3493 6.3493 6.6372 6.6372 k = 0.2000 0.1155-0.0000 ( 6882 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3977 -36.3977 -36.3948 -36.3948 -29.3820 -29.3820 -29.2922 -29.2922 -27.6705 -27.6705 -27.6679 -27.6679 -27.6605 -27.6605 -27.6460 -27.6460 -14.5250 -14.5250 -13.0276 -13.0276 -13.0009 -13.0009 -8.0868 -8.0868 -7.6407 -7.6407 -7.4883 -7.4883 0.5050 0.5050 0.5853 0.5853 0.8937 0.8937 0.9251 0.9251 1.2656 1.2656 1.3730 1.3730 1.8527 1.8527 2.0995 2.0995 2.1648 2.1648 2.2805 2.2805 2.4792 2.4792 2.5325 2.5325 3.2342 3.2342 3.3439 3.3439 3.4330 3.4330 3.6558 3.6558 3.8119 3.8119 4.2140 4.2140 4.4409 4.4409 4.4990 4.4990 4.7878 4.7878 5.0271 5.0271 5.1505 5.1505 6.3575 6.3575 6.6772 6.6772 k = 0.2200 0.1270-0.0000 ( 6874 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3977 -36.3977 -36.3948 -36.3948 -29.3820 -29.3820 -29.2922 -29.2922 -27.6704 -27.6704 -27.6678 -27.6678 -27.6603 -27.6603 -27.6464 -27.6464 -14.5250 -14.5250 -13.0270 -13.0270 -13.0014 -13.0014 -8.0777 -8.0777 -7.6461 -7.6461 -7.4937 -7.4937 0.5058 0.5058 0.6022 0.6022 0.8969 0.8969 0.9324 0.9324 1.2550 1.2550 1.3782 1.3782 1.8471 1.8471 2.0967 2.0967 2.1476 2.1476 2.2795 2.2795 2.4788 2.4788 2.5398 2.5398 3.2347 3.2347 3.3566 3.3566 3.3944 3.3944 3.6145 3.6145 3.7879 3.7879 4.2507 4.2507 4.4145 4.4145 4.5199 4.5199 4.7984 4.7984 5.0522 5.0522 5.1689 5.1689 6.3646 6.3646 6.7207 6.7207 k = 0.2400 0.1386-0.0000 ( 6878 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3976 -36.3976 -36.3949 -36.3949 -29.3820 -29.3820 -29.2922 -29.2922 -27.6703 -27.6703 -27.6676 -27.6676 -27.6602 -27.6602 -27.6467 -27.6467 -14.5250 -14.5250 -13.0265 -13.0265 -13.0020 -13.0020 -8.0680 -8.0680 -7.6523 -7.6523 -7.4991 -7.4991 0.5066 0.5066 0.6198 0.6198 0.9002 0.9002 0.9405 0.9405 1.2440 1.2440 1.3838 1.3838 1.8405 1.8405 2.0938 2.0938 2.1307 2.1307 2.2787 2.2787 2.4782 2.4782 2.5478 2.5478 3.2349 3.2349 3.3450 3.3450 3.3815 3.3815 3.5709 3.5709 3.7673 3.7673 4.2822 4.2822 4.3809 4.3809 4.5495 4.5495 4.8113 4.8113 5.0745 5.0745 5.1906 5.1906 6.3707 6.3707 6.7671 6.7671 k = 0.2600 0.1501-0.0000 ( 6874 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3975 -36.3975 -36.3950 -36.3950 -29.3820 -29.3820 -29.2922 -29.2922 -27.6702 -27.6702 -27.6675 -27.6675 -27.6600 -27.6600 -27.6471 -27.6471 -14.5250 -14.5250 -13.0258 -13.0258 -13.0025 -13.0025 -8.0577 -8.0577 -7.6593 -7.6593 -7.5042 -7.5042 0.5074 0.5074 0.6377 0.6377 0.9034 0.9034 0.9493 0.9493 1.2332 1.2332 1.3896 1.3896 1.8329 1.8329 2.0908 2.0908 2.1145 2.1145 2.2781 2.2781 2.4773 2.4773 2.5565 2.5565 3.2346 3.2346 3.3066 3.3066 3.3970 3.3970 3.5267 3.5267 3.7491 3.7491 4.3064 4.3064 4.3473 4.3473 4.5815 4.5815 4.8271 4.8271 5.0945 5.0945 5.2150 5.2150 6.3760 6.3760 6.8158 6.8158 k = 0.2800 0.1617-0.0000 ( 6874 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3975 -36.3975 -36.3950 -36.3950 -29.3820 -29.3820 -29.2922 -29.2922 -27.6702 -27.6702 -27.6674 -27.6674 -27.6598 -27.6598 -27.6475 -27.6475 -14.5250 -14.5250 -13.0252 -13.0252 -13.0032 -13.0032 -8.0470 -8.0470 -7.6670 -7.6670 -7.5089 -7.5089 0.5082 0.5082 0.6556 0.6556 0.9064 0.9064 0.9588 0.9588 1.2230 1.2230 1.3952 1.3952 1.8241 1.8241 2.0877 2.0877 2.0995 2.0995 2.2777 2.2777 2.4762 2.4762 2.5659 2.5659 3.2336 3.2336 3.2673 3.2673 3.4158 3.4158 3.4830 3.4830 3.7328 3.7328 4.3000 4.3000 4.3389 4.3389 4.6127 4.6127 4.8464 4.8464 5.1133 5.1133 5.2411 5.2411 6.3806 6.3806 6.8662 6.8662 k = 0.3000 0.1732-0.0000 ( 6868 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3974 -36.3974 -36.3951 -36.3951 -29.3820 -29.3820 -29.2922 -29.2922 -27.6701 -27.6701 -27.6672 -27.6672 -27.6596 -27.6596 -27.6479 -27.6479 -14.5250 -14.5250 -13.0246 -13.0246 -13.0038 -13.0038 -8.0358 -8.0358 -7.6755 -7.6755 -7.5133 -7.5133 0.5090 0.5090 0.6732 0.6732 0.9093 0.9093 0.9685 0.9685 1.2141 1.2141 1.4004 1.4004 1.8140 1.8140 2.0842 2.0842 2.0864 2.0864 2.2774 2.2774 2.4749 2.4749 2.5758 2.5758 3.2226 3.2226 3.2385 3.2385 3.4340 3.4340 3.4427 3.4427 3.7181 3.7181 4.2654 4.2654 4.3544 4.3544 4.6408 4.6408 4.8690 4.8690 5.1319 5.1319 5.2679 5.2679 6.3845 6.3845 6.9178 6.9178 k = 0.3200 0.1848-0.0000 ( 6864 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3973 -36.3973 -36.3952 -36.3952 -29.3820 -29.3820 -29.2922 -29.2922 -27.6701 -27.6701 -27.6670 -27.6670 -27.6594 -27.6594 -27.6483 -27.6483 -14.5249 -14.5249 -13.0239 -13.0239 -13.0045 -13.0045 -8.0244 -8.0244 -7.6847 -7.6847 -7.5172 -7.5172 0.5098 0.5098 0.6903 0.6903 0.9119 0.9119 0.9781 0.9781 1.2069 1.2069 1.4050 1.4050 1.8026 1.8026 2.0744 2.0744 2.0814 2.0814 2.2773 2.2773 2.4734 2.4734 2.5861 2.5861 3.1873 3.1873 3.2352 3.2352 3.3997 3.3997 3.4579 3.4579 3.7048 3.7048 4.2288 4.2288 4.3691 4.3691 4.6645 4.6645 4.8939 4.8939 5.1513 5.1513 5.2946 5.2946 6.3879 6.3879 6.9700 6.9700 k = 0.3400 0.1963-0.0000 ( 6870 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3972 -36.3972 -36.3953 -36.3953 -29.3820 -29.3820 -29.2922 -29.2922 -27.6701 -27.6701 -27.6669 -27.6669 -27.6592 -27.6592 -27.6487 -27.6487 -14.5249 -14.5249 -13.0232 -13.0232 -13.0051 -13.0051 -8.0129 -8.0129 -7.6943 -7.6943 -7.5207 -7.5207 0.5106 0.5106 0.7066 0.7066 0.9142 0.9142 0.9870 0.9870 1.2023 1.2023 1.4087 1.4087 1.7899 1.7899 2.0650 2.0650 2.0781 2.0781 2.2774 2.2774 2.4718 2.4718 2.5969 2.5969 3.1513 3.1513 3.2342 3.2342 3.3622 3.3622 3.4797 3.4797 3.6927 3.6927 4.1924 4.1924 4.3816 4.3816 4.6834 4.6834 4.9196 4.9196 5.1722 5.1722 5.3205 5.3205 6.3908 6.3908 7.0221 7.0221 k = 0.3600 0.2078-0.0000 ( 6882 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3972 -36.3972 -36.3953 -36.3953 -29.3820 -29.3820 -29.2922 -29.2922 -27.6701 -27.6701 -27.6667 -27.6667 -27.6590 -27.6590 -27.6491 -27.6491 -14.5249 -14.5249 -13.0225 -13.0225 -13.0058 -13.0058 -8.0014 -8.0014 -7.7042 -7.7042 -7.5236 -7.5236 0.5113 0.5113 0.7218 0.7218 0.9162 0.9162 0.9946 0.9946 1.2008 1.2008 1.4112 1.4112 1.7764 1.7764 2.0578 2.0578 2.0747 2.0747 2.2777 2.2777 2.4701 2.4701 2.6078 2.6078 3.1172 3.1172 3.2335 3.2335 3.3277 3.3277 3.5019 3.5019 3.6820 3.6820 4.1571 4.1571 4.3921 4.3921 4.6982 4.6982 4.9438 4.9438 5.1944 5.1944 5.3454 5.3454 6.3932 6.3932 7.0735 7.0735 k = 0.3800 0.2194-0.0000 ( 6884 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3971 -36.3971 -36.3954 -36.3954 -29.3820 -29.3820 -29.2922 -29.2922 -27.6700 -27.6700 -27.6666 -27.6666 -27.6588 -27.6588 -27.6495 -27.6495 -14.5249 -14.5249 -13.0219 -13.0219 -13.0064 -13.0064 -7.9903 -7.9903 -7.7142 -7.7142 -7.5262 -7.5262 0.5119 0.5119 0.7357 0.7357 0.9178 0.9178 1.0003 1.0003 1.2027 1.2027 1.4125 1.4125 1.7625 1.7625 2.0526 2.0526 2.0714 2.0714 2.2780 2.2780 2.4683 2.4683 2.6187 2.6187 3.0858 3.0858 3.2328 3.2328 3.2969 3.2969 3.5239 3.5239 3.6727 3.6727 4.1235 4.1235 4.4008 4.4008 4.7095 4.7095 4.9650 4.9650 5.2176 5.2176 5.3688 5.3688 6.3953 6.3953 7.1233 7.1233 k = 0.4000 0.2309-0.0000 ( 6888 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3970 -36.3970 -36.3955 -36.3955 -29.3820 -29.3820 -29.2922 -29.2922 -27.6700 -27.6700 -27.6665 -27.6665 -27.6586 -27.6586 -27.6498 -27.6498 -14.5249 -14.5249 -13.0213 -13.0213 -13.0070 -13.0070 -7.9797 -7.9797 -7.7238 -7.7238 -7.5282 -7.5282 0.5125 0.5125 0.7481 0.7481 0.9190 0.9190 1.0040 1.0040 1.2080 1.2080 1.4123 1.4123 1.7489 1.7489 2.0494 2.0494 2.0680 2.0680 2.2785 2.2785 2.4665 2.4665 2.6292 2.6292 3.0574 3.0574 3.2322 3.2322 3.2701 3.2701 3.5452 3.5452 3.6646 3.6646 4.0923 4.0923 4.4079 4.4079 4.7181 4.7181 4.9825 4.9825 5.2403 5.2403 5.3903 5.3903 6.3970 6.3970 7.1704 7.1704 k = 0.4200 0.2425-0.0000 ( 6886 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3970 -36.3970 -36.3956 -36.3956 -29.3820 -29.3820 -29.2922 -29.2922 -27.6700 -27.6700 -27.6664 -27.6664 -27.6584 -27.6584 -27.6501 -27.6501 -14.5249 -14.5249 -13.0207 -13.0207 -13.0076 -13.0076 -7.9701 -7.9701 -7.7327 -7.7327 -7.5299 -7.5299 0.5129 0.5129 0.7587 0.7587 0.9198 0.9198 1.0058 1.0058 1.2158 1.2158 1.4106 1.4106 1.7364 1.7364 2.0478 2.0478 2.0647 2.0647 2.2790 2.2790 2.4649 2.4649 2.6390 2.6390 3.0329 3.0329 3.2315 3.2315 3.2478 3.2478 3.5650 3.5650 3.6580 3.6580 4.0643 4.0643 4.4136 4.4136 4.7246 4.7246 4.9960 4.9960 5.2611 5.2611 5.4095 5.4095 6.3984 6.3984 7.2136 7.2136 k = 0.4400 0.2540-0.0000 ( 6884 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3969 -36.3969 -36.3956 -36.3956 -29.3820 -29.3820 -29.2922 -29.2922 -27.6700 -27.6700 -27.6663 -27.6663 -27.6582 -27.6582 -27.6504 -27.6504 -14.5249 -14.5249 -13.0202 -13.0202 -13.0081 -13.0081 -7.9619 -7.9619 -7.7404 -7.7404 -7.5312 -7.5312 0.5133 0.5133 0.7673 0.7673 0.9203 0.9203 1.0063 1.0063 1.2248 1.2248 1.4079 1.4079 1.7257 1.7257 2.0476 2.0476 2.0615 2.0615 2.2794 2.2794 2.4634 2.4634 2.6477 2.6477 3.0126 3.0126 3.2281 3.2281 3.2331 3.2331 3.5824 3.5824 3.6529 3.6529 4.0404 4.0404 4.4179 4.4179 4.7294 4.7294 5.0061 5.0061 5.2785 5.2785 5.4256 5.4256 6.3994 6.3994 7.2510 7.2510 k = 0.4600 0.2656-0.0000 ( 6880 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3969 -36.3969 -36.3957 -36.3957 -29.3820 -29.3820 -29.2922 -29.2922 -27.6700 -27.6700 -27.6662 -27.6662 -27.6581 -27.6581 -27.6506 -27.6506 -14.5249 -14.5249 -13.0198 -13.0198 -13.0084 -13.0084 -7.9555 -7.9555 -7.7465 -7.7465 -7.5321 -7.5321 0.5136 0.5136 0.7738 0.7738 0.9206 0.9206 1.0061 1.0061 1.2333 1.2333 1.4049 1.4049 1.7175 1.7175 2.0485 2.0485 2.0583 2.0583 2.2798 2.2798 2.4623 2.4623 2.6544 2.6544 2.9975 2.9975 3.2164 3.2164 3.2316 3.2316 3.5962 3.5962 3.6491 3.6491 4.0221 4.0221 4.4210 4.4210 4.7326 4.7326 5.0129 5.0129 5.2916 5.2916 5.4379 5.4379 6.4002 6.4002 7.2803 7.2803 k = 0.4800 0.2771-0.0000 ( 6886 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3968 -36.3968 -36.3957 -36.3957 -29.3820 -29.3820 -29.2922 -29.2922 -27.6700 -27.6700 -27.6662 -27.6662 -27.6580 -27.6580 -27.6507 -27.6507 -14.5249 -14.5249 -13.0196 -13.0196 -13.0087 -13.0087 -7.9514 -7.9514 -7.7503 -7.7503 -7.5326 -7.5326 0.5138 0.5138 0.7777 0.7777 0.9207 0.9207 1.0057 1.0057 1.2395 1.2395 1.4023 1.4023 1.7124 1.7124 2.0502 2.0502 2.0554 2.0554 2.2801 2.2801 2.4616 2.4616 2.6588 2.6588 2.9881 2.9881 3.2087 3.2087 3.2313 3.2313 3.6051 3.6051 3.6468 3.6468 4.0104 4.0104 4.4228 4.4228 4.7345 4.7345 5.0168 5.0168 5.2996 5.2996 5.4457 5.4457 6.4006 6.4006 7.2993 7.2993 k = 0.5000 0.2887-0.0000 ( 6878 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3968 -36.3968 -36.3957 -36.3957 -29.3820 -29.3820 -29.2922 -29.2922 -27.6700 -27.6700 -27.6661 -27.6661 -27.6580 -27.6580 -27.6507 -27.6507 -14.5249 -14.5249 -13.0195 -13.0195 -13.0088 -13.0088 -7.9500 -7.9500 -7.7517 -7.7517 -7.5328 -7.5328 0.5138 0.5138 0.7790 0.7790 0.9207 0.9207 1.0055 1.0055 1.2418 1.2418 1.4014 1.4014 1.7107 1.7107 2.0519 2.0519 2.0532 2.0532 2.2802 2.2802 2.4614 2.4614 2.6603 2.6603 2.9849 2.9849 3.2061 3.2061 3.2312 3.2312 3.6082 3.6082 3.6461 3.6461 4.0063 4.0063 4.4234 4.4234 4.7351 4.7351 5.0181 5.0181 5.3023 5.3023 5.4484 5.4484 6.4008 6.4008 7.3059 7.3059 k = 0.5000 0.2887-0.0000 ( 6878 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3968 -36.3968 -36.3957 -36.3957 -29.3820 -29.3820 -29.2922 -29.2922 -27.6700 -27.6700 -27.6661 -27.6661 -27.6580 -27.6580 -27.6507 -27.6507 -14.5249 -14.5249 -13.0195 -13.0195 -13.0088 -13.0088 -7.9500 -7.9500 -7.7517 -7.7517 -7.5328 -7.5328 0.5138 0.5138 0.7790 0.7790 0.9207 0.9207 1.0055 1.0055 1.2418 1.2418 1.4014 1.4014 1.7107 1.7107 2.0519 2.0519 2.0532 2.0532 2.2802 2.2802 2.4614 2.4614 2.6603 2.6603 2.9849 2.9849 3.2061 3.2061 3.2312 3.2312 3.6082 3.6082 3.6461 3.6461 4.0063 4.0063 4.4234 4.4234 4.7351 4.7351 5.0181 5.0181 5.3023 5.3023 5.4484 5.4484 6.4008 6.4008 7.3059 7.3059 k = 0.4889 0.3079-0.0000 ( 6886 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3968 -36.3968 -36.3957 -36.3957 -29.3820 -29.3820 -29.2922 -29.2922 -27.6701 -27.6701 -27.6661 -27.6661 -27.6580 -27.6580 -27.6507 -27.6507 -14.5249 -14.5249 -13.0195 -13.0195 -13.0088 -13.0088 -7.9496 -7.9496 -7.7521 -7.7521 -7.5328 -7.5328 0.5138 0.5138 0.7801 0.7801 0.9211 0.9211 1.0054 1.0054 1.2405 1.2405 1.4018 1.4018 1.7102 1.7102 2.0476 2.0476 2.0574 2.0574 2.2805 2.2805 2.4605 2.4605 2.6615 2.6615 2.9824 2.9824 3.2079 3.2079 3.2314 3.2314 3.6088 3.6088 3.6441 3.6441 4.0052 4.0052 4.4261 4.4261 4.7350 4.7350 5.0187 5.0187 5.3019 5.3019 5.4474 5.4474 6.4012 6.4012 7.3071 7.3071 k = 0.4778 0.3272-0.0000 ( 6878 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3968 -36.3968 -36.3957 -36.3957 -29.3820 -29.3820 -29.2922 -29.2922 -27.6701 -27.6701 -27.6661 -27.6661 -27.6580 -27.6580 -27.6508 -27.6508 -14.5249 -14.5249 -13.0194 -13.0194 -13.0089 -13.0089 -7.9483 -7.9483 -7.7532 -7.7532 -7.5330 -7.5330 0.5138 0.5138 0.7832 0.7832 0.9223 0.9223 1.0049 1.0049 1.2370 1.2370 1.4029 1.4029 1.7089 1.7089 2.0426 2.0426 2.0619 2.0619 2.2815 2.2815 2.4579 2.4579 2.6650 2.6650 2.9752 2.9752 3.2132 3.2132 3.2319 3.2319 3.6105 3.6105 3.6384 3.6384 4.0017 4.0017 4.4342 4.4342 4.7347 4.7347 5.0203 5.0203 5.3006 5.3006 5.4444 5.4444 6.4023 6.4023 7.3110 7.3110 k = 0.4667 0.3464-0.0000 ( 6878 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3968 -36.3968 -36.3957 -36.3957 -29.3820 -29.3820 -29.2922 -29.2922 -27.6701 -27.6701 -27.6660 -27.6660 -27.6580 -27.6580 -27.6508 -27.6508 -14.5249 -14.5249 -13.0193 -13.0193 -13.0090 -13.0090 -7.9463 -7.9463 -7.7552 -7.7552 -7.5334 -7.5334 0.5137 0.5137 0.7883 0.7883 0.9243 0.9243 1.0041 1.0041 1.2313 1.2313 1.4046 1.4046 1.7067 1.7067 2.0376 2.0376 2.0663 2.0663 2.2831 2.2831 2.4538 2.4538 2.6706 2.6706 2.9644 2.9644 3.2209 3.2209 3.2328 3.2328 3.6128 3.6128 3.6296 3.6296 3.9959 3.9959 4.4473 4.4473 4.7343 4.7343 5.0231 5.0231 5.2984 5.2984 5.4396 5.4396 6.4041 6.4041 7.3175 7.3175 k = 0.4556 0.3657-0.0000 ( 6883 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3968 -36.3968 -36.3957 -36.3957 -29.3820 -29.3820 -29.2922 -29.2922 -27.6702 -27.6702 -27.6659 -27.6659 -27.6580 -27.6580 -27.6509 -27.6509 -14.5249 -14.5249 -13.0191 -13.0191 -13.0092 -13.0092 -7.9434 -7.9434 -7.7578 -7.7578 -7.5338 -7.5338 0.5137 0.5137 0.7953 0.7953 0.9270 0.9270 1.0031 1.0031 1.2237 1.2237 1.4065 1.4065 1.7037 1.7037 2.0327 2.0327 2.0703 2.0703 2.2854 2.2854 2.4483 2.4483 2.6781 2.6781 2.9510 2.9510 3.2292 3.2292 3.2353 3.2353 3.6099 3.6099 3.6237 3.6237 3.9880 3.9880 4.4650 4.4650 4.7337 4.7337 5.0274 5.0274 5.2954 5.2954 5.4330 5.4330 6.4064 6.4064 7.3266 7.3266 k = 0.4444 0.3849-0.0000 ( 6893 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3968 -36.3968 -36.3958 -36.3958 -29.3820 -29.3820 -29.2923 -29.2923 -27.6702 -27.6702 -27.6658 -27.6658 -27.6580 -27.6580 -27.6510 -27.6510 -14.5249 -14.5249 -13.0189 -13.0189 -13.0094 -13.0094 -7.9397 -7.9397 -7.7613 -7.7613 -7.5343 -7.5343 0.5136 0.5136 0.8038 0.8038 0.9304 0.9304 1.0021 1.0021 1.2146 1.2146 1.4083 1.4083 1.7000 1.7000 2.0280 2.0280 2.0741 2.0741 2.2883 2.2883 2.4418 2.4418 2.6869 2.6869 2.9361 2.9361 3.2329 3.2329 3.2433 3.2433 3.5953 3.5953 3.6276 3.6276 3.9779 3.9779 4.4864 4.4864 4.7328 4.7328 5.0332 5.0332 5.2916 5.2916 5.4247 5.4247 6.4091 6.4091 7.3383 7.3383 k = 0.4333 0.4041-0.0000 ( 6897 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3968 -36.3968 -36.3958 -36.3958 -29.3820 -29.3820 -29.2923 -29.2923 -27.6703 -27.6703 -27.6656 -27.6656 -27.6580 -27.6580 -27.6511 -27.6511 -14.5249 -14.5249 -13.0186 -13.0186 -13.0097 -13.0097 -7.9353 -7.9353 -7.7654 -7.7654 -7.5349 -7.5349 0.5136 0.5136 0.8137 0.8137 0.9343 0.9343 1.0014 1.0014 1.2042 1.2042 1.4098 1.4098 1.6959 1.6959 2.0234 2.0234 2.0775 2.0775 2.2919 2.2919 2.4344 2.4344 2.6969 2.6969 2.9207 2.9207 3.2345 3.2345 3.2541 3.2541 3.5759 3.5759 3.6350 3.6350 3.9658 3.9658 4.5108 4.5108 4.7316 4.7316 5.0411 5.0411 5.2870 5.2870 5.4149 5.4149 6.4121 6.4121 7.3527 7.3527 k = 0.4222 0.4234-0.0000 ( 6883 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3967 -36.3967 -36.3958 -36.3958 -29.3820 -29.3820 -29.2922 -29.2922 -27.6703 -27.6703 -27.6655 -27.6655 -27.6580 -27.6580 -27.6511 -27.6511 -14.5249 -14.5249 -13.0182 -13.0182 -13.0100 -13.0100 -7.9302 -7.9302 -7.7703 -7.7703 -7.5355 -7.5355 0.5135 0.5135 0.8246 0.8246 0.9382 0.9382 1.0015 1.0015 1.1929 1.1929 1.4107 1.4107 1.6913 1.6913 2.0192 2.0192 2.0806 2.0806 2.2962 2.2962 2.4265 2.4265 2.7076 2.7076 2.9054 2.9054 3.2358 3.2358 3.2653 3.2653 3.5538 3.5538 3.6442 3.6442 3.9519 3.9519 4.5370 4.5370 4.7300 4.7300 5.0513 5.0513 5.2817 5.2817 5.4037 5.4037 6.4152 6.4152 7.3697 7.3697 k = 0.4111 0.4426-0.0000 ( 6871 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3967 -36.3967 -36.3958 -36.3958 -29.3820 -29.3820 -29.2922 -29.2922 -27.6704 -27.6704 -27.6653 -27.6653 -27.6580 -27.6580 -27.6512 -27.6512 -14.5249 -14.5249 -13.0179 -13.0179 -13.0104 -13.0104 -7.9244 -7.9244 -7.7757 -7.7757 -7.5361 -7.5361 0.5135 0.5135 0.8362 0.8362 0.9417 0.9417 1.0030 1.0030 1.1808 1.1808 1.4109 1.4109 1.6867 1.6867 2.0154 2.0154 2.0834 2.0834 2.3010 2.3010 2.4181 2.4181 2.7187 2.7187 2.8909 2.8909 3.2370 3.2370 3.2763 3.2763 3.5299 3.5299 3.6552 3.6552 3.9362 3.9362 4.5639 4.5639 4.7280 4.7280 5.0643 5.0643 5.2758 5.2758 5.3913 5.3913 6.4182 6.4182 7.3891 7.3891 k = 0.4000 0.4619-0.0000 ( 6867 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3966 -36.3966 -36.3959 -36.3959 -29.3820 -29.3820 -29.2922 -29.2922 -27.6704 -27.6704 -27.6651 -27.6651 -27.6580 -27.6580 -27.6514 -27.6514 -14.5249 -14.5249 -13.0174 -13.0174 -13.0108 -13.0108 -7.9182 -7.9182 -7.7817 -7.7817 -7.5368 -7.5368 0.5135 0.5135 0.8480 0.8480 0.9438 0.9438 1.0066 1.0066 1.1683 1.1683 1.4102 1.4102 1.6820 1.6820 2.0120 2.0120 2.0858 2.0858 2.3064 2.3064 2.4094 2.4094 2.7296 2.7296 2.8777 2.8777 3.2381 3.2381 3.2869 3.2869 3.5051 3.5051 3.6680 3.6680 3.9189 3.9189 4.5903 4.5903 4.7255 4.7255 5.0803 5.0803 5.2693 5.2693 5.3778 5.3778 6.4211 6.4211 7.4107 7.4107 k = 0.3889 0.4811-0.0000 ( 6869 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3966 -36.3966 -36.3959 -36.3959 -29.3820 -29.3820 -29.2922 -29.2922 -27.6704 -27.6704 -27.6650 -27.6650 -27.6579 -27.6579 -27.6515 -27.6515 -14.5249 -14.5249 -13.0170 -13.0170 -13.0113 -13.0113 -7.9116 -7.9116 -7.7881 -7.7881 -7.5374 -7.5374 0.5135 0.5135 0.8598 0.8598 0.9439 0.9439 1.0130 1.0130 1.1557 1.1557 1.4088 1.4088 1.6776 1.6776 2.0091 2.0091 2.0878 2.0878 2.3124 2.3124 2.4005 2.4005 2.7401 2.7401 2.8661 2.8661 3.2390 3.2390 3.2970 3.2970 3.4803 3.4803 3.6824 3.6824 3.9003 3.9003 4.6150 4.6150 4.7224 4.7224 5.0995 5.0995 5.2622 5.2622 5.3635 5.3635 6.4236 6.4236 7.4340 7.4340 k = 0.3778 0.5004-0.0000 ( 6881 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3965 -36.3965 -36.3960 -36.3960 -29.3820 -29.3820 -29.2922 -29.2922 -27.6705 -27.6705 -27.6649 -27.6649 -27.6579 -27.6579 -27.6516 -27.6516 -14.5249 -14.5249 -13.0165 -13.0165 -13.0118 -13.0118 -7.9048 -7.9048 -7.7946 -7.7946 -7.5379 -7.5379 0.5135 0.5135 0.8712 0.8712 0.9420 0.9420 1.0219 1.0219 1.1431 1.1431 1.4067 1.4067 1.6737 1.6737 2.0067 2.0067 2.0895 2.0895 2.3188 2.3188 2.3916 2.3916 2.7495 2.7495 2.8564 2.8564 3.2398 3.2398 3.3063 3.3063 3.4567 3.4567 3.6984 3.6984 3.8806 3.8806 4.6373 4.6373 4.7185 4.7185 5.1217 5.1217 5.2546 5.2546 5.3484 5.3484 6.4258 6.4258 7.4584 7.4584 k = 0.3667 0.5196-0.0000 ( 6869 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3964 -36.3964 -36.3961 -36.3961 -29.3820 -29.3820 -29.2922 -29.2922 -27.6705 -27.6705 -27.6648 -27.6648 -27.6579 -27.6579 -27.6517 -27.6517 -14.5249 -14.5249 -13.0159 -13.0159 -13.0123 -13.0123 -7.8982 -7.8982 -7.8011 -7.8011 -7.5383 -7.5383 0.5136 0.5136 0.8820 0.8820 0.9382 0.9382 1.0324 1.0324 1.1312 1.1312 1.4044 1.4044 1.6703 1.6703 2.0049 2.0049 2.0908 2.0908 2.3255 2.3255 2.3830 2.3830 2.7574 2.7574 2.8488 2.8488 3.2405 3.2405 3.3145 3.3145 3.4357 3.4357 3.7158 3.7158 3.8600 3.8600 4.6565 4.6565 4.7139 4.7139 5.1462 5.1462 5.2464 5.2464 5.3331 5.3331 6.4275 6.4275 7.4828 7.4828 k = 0.3556 0.5389-0.0000 ( 6871 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3964 -36.3964 -36.3961 -36.3961 -29.3820 -29.3820 -29.2922 -29.2922 -27.6705 -27.6705 -27.6647 -27.6647 -27.6579 -27.6579 -27.6518 -27.6518 -14.5249 -14.5249 -13.0154 -13.0154 -13.0129 -13.0129 -7.8924 -7.8924 -7.8068 -7.8068 -7.5387 -7.5387 0.5136 0.5136 0.8920 0.8920 0.9330 0.9330 1.0430 1.0430 1.1206 1.1206 1.4020 1.4020 1.6678 1.6678 2.0036 2.0036 2.0917 2.0917 2.3323 2.3323 2.3748 2.3748 2.7634 2.7634 2.8435 2.8435 3.2409 3.2409 3.3208 3.3208 3.4191 3.4191 3.7342 3.7342 3.8393 3.8393 4.6724 4.6724 4.7084 4.7084 5.1716 5.1716 5.2378 5.2378 5.3183 5.3183 6.4287 6.4287 7.5052 7.5052 k = 0.3444 0.5581-0.0000 ( 6867 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3963 -36.3963 -36.3962 -36.3962 -29.3820 -29.3820 -29.2922 -29.2922 -27.6705 -27.6705 -27.6646 -27.6646 -27.6578 -27.6578 -27.6519 -27.6519 -14.5249 -14.5249 -13.0148 -13.0148 -13.0135 -13.0135 -7.8881 -7.8881 -7.8110 -7.8110 -7.5389 -7.5389 0.5136 0.5136 0.9004 0.9004 0.9275 0.9275 1.0512 1.0512 1.1130 1.1130 1.4003 1.4003 1.6661 1.6661 2.0028 2.0028 2.0923 2.0923 2.3382 2.3382 2.3681 2.3681 2.7672 2.7672 2.8403 2.8403 3.2412 3.2412 3.3245 3.3245 3.4085 3.4085 3.7519 3.7519 3.8202 3.8202 4.6849 4.6849 4.7020 4.7020 5.1948 5.1948 5.2291 5.2291 5.3059 5.3059 6.4295 6.4295 7.5223 7.5223 k = 0.3333 0.5774-0.0000 ( 6879 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3963 -36.3963 -36.3963 -36.3963 -29.3820 -29.3820 -29.2922 -29.2922 -27.6706 -27.6706 -27.6646 -27.6646 -27.6579 -27.6579 -27.6519 -27.6519 -14.5249 -14.5249 -13.0142 -13.0142 -13.0141 -13.0141 -7.8865 -7.8865 -7.8126 -7.8126 -7.5390 -7.5390 0.5136 0.5136 0.9043 0.9043 0.9244 0.9244 1.0544 1.0544 1.1101 1.1101 1.3996 1.3996 1.6655 1.6655 2.0025 2.0025 2.0925 2.0925 2.3409 2.3409 2.3651 2.3651 2.7685 2.7685 2.8393 2.8393 3.2412 3.2412 3.3255 3.3255 3.4051 3.4051 3.7613 3.7613 3.8103 3.8103 4.6935 4.6935 4.6954 4.6954 5.2064 5.2064 5.2239 5.2239 5.3003 5.3003 6.4297 6.4297 7.5290 7.5290 k = 0.3333 0.5774-0.0000 ( 6879 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3963 -36.3963 -36.3963 -36.3963 -29.3820 -29.3820 -29.2922 -29.2922 -27.6706 -27.6706 -27.6646 -27.6646 -27.6579 -27.6579 -27.6519 -27.6519 -14.5249 -14.5249 -13.0142 -13.0142 -13.0141 -13.0141 -7.8865 -7.8865 -7.8126 -7.8126 -7.5390 -7.5390 0.5136 0.5136 0.9043 0.9043 0.9244 0.9244 1.0544 1.0544 1.1101 1.1101 1.3996 1.3996 1.6655 1.6655 2.0025 2.0025 2.0925 2.0925 2.3409 2.3409 2.3651 2.3651 2.7685 2.7685 2.8393 2.8393 3.2412 3.2412 3.3255 3.3255 3.4051 3.4051 3.7613 3.7613 3.8103 3.8103 4.6935 4.6935 4.6954 4.6954 5.2064 5.2064 5.2239 5.2239 5.3003 5.3003 6.4297 6.4297 7.5290 7.5290 k = 0.3218 0.5574-0.0000 ( 6865 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3963 -36.3963 -36.3962 -36.3962 -29.3820 -29.3820 -29.2922 -29.2922 -27.6705 -27.6705 -27.6646 -27.6646 -27.6578 -27.6578 -27.6519 -27.6519 -14.5249 -14.5249 -13.0148 -13.0148 -13.0134 -13.0134 -7.8884 -7.8884 -7.8107 -7.8107 -7.5389 -7.5389 0.5136 0.5136 0.8999 0.8999 0.9279 0.9279 1.0514 1.0514 1.1126 1.1126 1.4005 1.4005 1.6662 1.6662 2.0028 2.0028 2.0923 2.0923 2.3380 2.3380 2.3683 2.3683 2.7670 2.7670 2.8404 2.8404 3.2412 3.2412 3.3253 3.3253 3.4082 3.4082 3.7505 3.7505 3.8217 3.8217 4.6855 4.6855 4.7014 4.7014 5.1975 5.1975 5.2243 5.2243 5.3075 5.3075 6.4295 6.4295 7.5210 7.5210 k = 0.3103 0.5375-0.0000 ( 6877 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3964 -36.3964 -36.3961 -36.3961 -29.3820 -29.3820 -29.2922 -29.2922 -27.6705 -27.6705 -27.6647 -27.6647 -27.6579 -27.6579 -27.6518 -27.6518 -14.5249 -14.5249 -13.0155 -13.0155 -13.0127 -13.0127 -7.8938 -7.8938 -7.8054 -7.8054 -7.5386 -7.5386 0.5136 0.5136 0.8902 0.8902 0.9344 0.9344 1.0442 1.0442 1.1177 1.1177 1.4032 1.4032 1.6685 1.6685 2.0036 2.0036 2.0917 2.0917 2.3318 2.3318 2.3754 2.3754 2.7626 2.7626 2.8441 2.8441 3.2410 3.2410 3.3263 3.3263 3.4160 3.4160 3.7288 3.7288 3.8451 3.8451 4.6754 4.6754 4.7055 4.7055 5.1804 5.1804 5.2186 5.2186 5.3251 5.3251 6.4287 6.4287 7.4983 7.4983 k = 0.2989 0.5176-0.0000 ( 6867 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3965 -36.3965 -36.3960 -36.3960 -29.3820 -29.3820 -29.2922 -29.2922 -27.6705 -27.6705 -27.6648 -27.6648 -27.6579 -27.6579 -27.6517 -27.6517 -14.5249 -14.5249 -13.0162 -13.0162 -13.0120 -13.0120 -7.9020 -7.9020 -7.7973 -7.7973 -7.5381 -7.5381 0.5135 0.5135 0.8783 0.8783 0.9409 0.9409 1.0357 1.0357 1.1228 1.1228 1.4076 1.4076 1.6725 1.6725 2.0050 2.0050 2.0909 2.0909 2.3248 2.3248 2.3838 2.3838 2.7549 2.7549 2.8509 2.8509 3.2407 3.2407 3.3303 3.3303 3.4268 3.4268 3.7042 3.7042 3.8727 3.8727 4.6642 4.6642 4.7074 4.7074 5.1589 5.1589 5.2099 5.2099 5.3452 5.3452 6.4275 6.4275 7.4652 7.4652 k = 0.2874 0.4977-0.0000 ( 6879 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3966 -36.3966 -36.3959 -36.3959 -29.3820 -29.3820 -29.2922 -29.2922 -27.6705 -27.6705 -27.6649 -27.6649 -27.6580 -27.6580 -27.6515 -27.6515 -14.5249 -14.5249 -13.0170 -13.0170 -13.0113 -13.0113 -7.9120 -7.9120 -7.7875 -7.7875 -7.5375 -7.5375 0.5133 0.5133 0.8648 0.8648 0.9464 0.9464 1.0271 1.0271 1.1269 1.1269 1.4132 1.4132 1.6786 1.6786 2.0069 2.0069 2.0899 2.0899 2.3179 2.3179 2.3927 2.3927 2.7443 2.7443 2.8610 2.8610 3.2403 3.2403 3.3382 3.3382 3.4398 3.4398 3.6786 3.6786 3.9027 3.9027 4.6516 4.6516 4.7071 4.7071 5.1340 5.1340 5.2007 5.2007 5.3634 5.3634 6.4258 6.4258 7.4253 7.4253 k = 0.2759 0.4778-0.0000 ( 6875 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3967 -36.3967 -36.3959 -36.3959 -29.3820 -29.3820 -29.2922 -29.2922 -27.6705 -27.6705 -27.6650 -27.6650 -27.6582 -27.6582 -27.6513 -27.6513 -14.5249 -14.5249 -13.0177 -13.0177 -13.0105 -13.0105 -7.9232 -7.9232 -7.7766 -7.7766 -7.5365 -7.5365 0.5131 0.5131 0.8499 0.8499 0.9502 0.9502 1.0192 1.0192 1.1300 1.1300 1.4191 1.4191 1.6870 1.6870 2.0093 2.0093 2.0888 2.0888 2.3113 2.3113 2.4017 2.4017 2.7311 2.7311 2.8750 2.8750 3.2400 3.2400 3.3500 3.3500 3.4544 3.4544 3.6527 3.6527 3.9344 3.9344 4.6378 4.6378 4.7048 4.7048 5.1065 5.1065 5.1916 5.1916 5.3776 5.3776 6.4237 6.4237 7.3809 7.3809 k = 0.2644 0.4579-0.0000 ( 6871 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3967 -36.3967 -36.3958 -36.3958 -29.3820 -29.3820 -29.2922 -29.2922 -27.6704 -27.6704 -27.6652 -27.6652 -27.6583 -27.6583 -27.6510 -27.6510 -14.5249 -14.5249 -13.0185 -13.0185 -13.0097 -13.0097 -7.9352 -7.9352 -7.7651 -7.7651 -7.5353 -7.5353 0.5129 0.5129 0.8339 0.8339 0.9519 0.9519 1.0123 1.0123 1.1328 1.1328 1.4244 1.4244 1.6977 1.6977 2.0125 2.0125 2.0877 2.0877 2.3054 2.3054 2.4105 2.4105 2.7160 2.7160 2.8928 2.8928 3.2397 3.2397 3.3653 3.3653 3.4704 3.4704 3.6266 3.6266 3.9676 3.9676 4.6227 4.6227 4.7006 4.7006 5.0771 5.0771 5.1827 5.1827 5.3867 5.3867 6.4213 6.4213 7.3333 7.3333 k = 0.2529 0.4380-0.0000 ( 6867 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3968 -36.3968 -36.3957 -36.3957 -29.3820 -29.3820 -29.2922 -29.2922 -27.6704 -27.6704 -27.6654 -27.6654 -27.6584 -27.6584 -27.6506 -27.6506 -14.5249 -14.5249 -13.0193 -13.0193 -13.0090 -13.0090 -7.9477 -7.9477 -7.7532 -7.7532 -7.5339 -7.5339 0.5126 0.5126 0.8169 0.8169 0.9514 0.9514 1.0062 1.0062 1.1362 1.1362 1.4283 1.4283 1.7106 1.7106 2.0163 2.0163 2.0867 2.0867 2.3001 2.3001 2.4189 2.4189 2.6998 2.6998 2.9147 2.9147 3.2393 3.2393 3.3837 3.3837 3.4876 3.4876 3.6006 3.6006 4.0020 4.0020 4.6063 4.6063 4.6944 4.6944 5.0464 5.0464 5.1739 5.1739 5.3902 5.3902 6.4185 6.4185 7.2835 7.2835 k = 0.2414 0.4181-0.0000 ( 6855 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3969 -36.3969 -36.3956 -36.3956 -29.3820 -29.3820 -29.2922 -29.2922 -27.6703 -27.6703 -27.6656 -27.6656 -27.6586 -27.6586 -27.6503 -27.6503 -14.5249 -14.5249 -13.0201 -13.0201 -13.0082 -13.0082 -7.9604 -7.9604 -7.7411 -7.7411 -7.5321 -7.5321 0.5122 0.5122 0.7989 0.7989 0.9488 0.9488 1.0006 1.0006 1.1408 1.1408 1.4304 1.4304 1.7253 1.7253 2.0211 2.0211 2.0860 2.0860 2.2955 2.2955 2.4269 2.4269 2.6829 2.6829 2.9405 2.9405 3.2390 3.2390 3.4046 3.4046 3.5062 3.5062 3.5749 3.5749 4.0376 4.0376 4.5886 4.5886 4.6859 4.6859 5.0149 5.0149 5.1652 5.1652 5.3881 5.3881 6.4154 6.4154 7.2321 7.2321 k = 0.2299 0.3982-0.0000 ( 6857 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3970 -36.3970 -36.3955 -36.3955 -29.3820 -29.3820 -29.2922 -29.2922 -27.6703 -27.6703 -27.6658 -27.6658 -27.6588 -27.6588 -27.6499 -27.6499 -14.5249 -14.5249 -13.0208 -13.0208 -13.0074 -13.0074 -7.9733 -7.9733 -7.7292 -7.7292 -7.5300 -7.5300 0.5117 0.5117 0.7801 0.7801 0.9448 0.9448 0.9948 0.9948 1.1470 1.1470 1.4306 1.4306 1.7410 1.7410 2.0270 2.0270 2.0857 2.0857 2.2916 2.2916 2.4343 2.4343 2.6660 2.6660 2.9703 2.9703 3.2388 3.2388 3.4275 3.4275 3.5259 3.5259 3.5497 3.5497 4.0741 4.0741 4.5693 4.5693 4.6751 4.6751 4.9833 4.9833 5.1564 5.1564 5.3804 5.3804 6.4120 6.4120 7.1795 7.1795 k = 0.2184 0.3783-0.0000 ( 6857 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3971 -36.3971 -36.3954 -36.3954 -29.3820 -29.3820 -29.2922 -29.2922 -27.6703 -27.6703 -27.6661 -27.6661 -27.6590 -27.6590 -27.6495 -27.6495 -14.5249 -14.5249 -13.0216 -13.0216 -13.0067 -13.0067 -7.9862 -7.9862 -7.7174 -7.7174 -7.5275 -7.5275 0.5112 0.5112 0.7608 0.7608 0.9399 0.9399 0.9885 0.9885 1.1550 1.1550 1.4288 1.4288 1.7572 1.7572 2.0341 2.0341 2.0858 2.0858 2.2883 2.2883 2.4411 2.4411 2.6492 2.6492 3.0038 3.0038 3.2386 3.2386 3.4519 3.4519 3.5250 3.5250 3.5469 3.5469 4.1114 4.1114 4.5483 4.5483 4.6617 4.6617 4.9525 4.9525 5.1476 5.1476 5.3675 5.3675 6.4083 6.4083 7.1263 7.1263 k = 0.2069 0.3584-0.0000 ( 6861 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3972 -36.3972 -36.3953 -36.3953 -29.3820 -29.3820 -29.2922 -29.2922 -27.6703 -27.6703 -27.6663 -27.6663 -27.6591 -27.6591 -27.6491 -27.6491 -14.5249 -14.5249 -13.0224 -13.0224 -13.0059 -13.0059 -7.9989 -7.9989 -7.7061 -7.7061 -7.5247 -7.5247 0.5106 0.5106 0.7409 0.7409 0.9345 0.9345 0.9816 0.9816 1.1646 1.1646 1.4253 1.4253 1.7731 1.7731 2.0426 2.0426 2.0865 2.0865 2.2857 2.2857 2.4473 2.4473 2.6330 2.6330 3.0409 3.0409 3.2386 3.2386 3.4770 3.4770 3.5016 3.5016 3.5691 3.5691 4.1493 4.1493 4.5254 4.5254 4.6454 4.6454 4.9232 4.9232 5.1386 5.1386 5.3500 5.3500 6.4044 6.4044 7.0726 7.0726 k = 0.1954 0.3384-0.0000 ( 6861 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3972 -36.3972 -36.3953 -36.3953 -29.3820 -29.3820 -29.2922 -29.2922 -27.6702 -27.6702 -27.6666 -27.6666 -27.6593 -27.6593 -27.6487 -27.6487 -14.5249 -14.5249 -13.0231 -13.0231 -13.0052 -13.0052 -8.0115 -8.0115 -7.6952 -7.6952 -7.5214 -7.5214 0.5100 0.5100 0.7207 0.7207 0.9290 0.9290 0.9743 0.9743 1.1756 1.1756 1.4205 1.4205 1.7880 1.7880 2.0527 2.0527 2.0877 2.0877 2.2836 2.2836 2.4529 2.4529 2.6175 2.6175 3.0813 3.0813 3.2386 3.2386 3.4762 3.4762 3.5056 3.5056 3.5925 3.5925 4.1876 4.1876 4.5000 4.5000 4.6264 4.6264 4.8962 4.8962 5.1293 5.1293 5.3287 5.3287 6.4001 6.4001 7.0190 7.0190 k = 0.1839 0.3185-0.0000 ( 6865 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3973 -36.3973 -36.3952 -36.3952 -29.3820 -29.3820 -29.2922 -29.2922 -27.6702 -27.6702 -27.6668 -27.6668 -27.6595 -27.6595 -27.6483 -27.6483 -14.5249 -14.5249 -13.0238 -13.0238 -13.0045 -13.0045 -8.0237 -8.0237 -7.6850 -7.6850 -7.5177 -7.5177 0.5093 0.5093 0.7004 0.7004 0.9234 0.9234 0.9666 0.9666 1.1876 1.1876 1.4147 1.4147 1.8016 1.8016 2.0641 2.0641 2.0897 2.0897 2.2821 2.2821 2.4579 2.4579 2.6029 2.6029 3.1243 3.1243 3.2387 3.2387 3.4543 3.4543 3.5324 3.5324 3.6171 3.6171 4.2261 4.2261 4.4718 4.4718 4.6051 4.6051 4.8722 4.8722 5.1195 5.1195 5.3042 5.3042 6.3956 6.3956 6.9656 6.9656 k = 0.1724 0.2986-0.0000 ( 6867 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3974 -36.3974 -36.3951 -36.3951 -29.3820 -29.3820 -29.2922 -29.2922 -27.6702 -27.6702 -27.6670 -27.6670 -27.6597 -27.6597 -27.6479 -27.6479 -14.5250 -14.5250 -13.0245 -13.0245 -13.0038 -13.0038 -8.0356 -8.0356 -7.6755 -7.6755 -7.5136 -7.5136 0.5086 0.5086 0.6801 0.6801 0.9180 0.9180 0.9587 0.9587 1.2003 1.2003 1.4082 1.4082 1.8136 1.8136 2.0761 2.0761 2.0932 2.0932 2.2810 2.2810 2.4623 2.4623 2.5891 2.5891 3.1694 3.1694 3.2393 3.2393 3.4330 3.4330 3.5600 3.5600 3.6429 3.6429 4.2642 4.2642 4.4404 4.4404 4.5822 4.5822 4.8514 4.8514 5.1089 5.1089 5.2775 5.2775 6.3907 6.3907 6.9130 6.9130 k = 0.1609 0.2787-0.0000 ( 6867 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3975 -36.3975 -36.3950 -36.3950 -29.3820 -29.3820 -29.2922 -29.2922 -27.6702 -27.6702 -27.6672 -27.6672 -27.6599 -27.6599 -27.6475 -27.6475 -14.5250 -14.5250 -13.0252 -13.0252 -13.0032 -13.0032 -8.0470 -8.0470 -7.6668 -7.6668 -7.5090 -7.5090 0.5079 0.5079 0.6601 0.6601 0.9128 0.9128 0.9510 0.9510 1.2134 1.2134 1.4012 1.4012 1.8240 1.8240 2.0858 2.0858 2.1008 2.1008 2.2803 2.2803 2.4661 2.4661 2.5764 2.5764 3.2136 3.2136 3.2424 3.2424 3.4127 3.4127 3.5878 3.5878 3.6701 3.6701 4.3011 4.3011 4.4062 4.4062 4.5587 4.5587 4.8336 4.8336 5.0972 5.0972 5.2497 5.2497 6.3854 6.3854 6.8615 6.8615 k = 0.1494 0.2588-0.0000 ( 6865 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3975 -36.3975 -36.3950 -36.3950 -29.3820 -29.3820 -29.2922 -29.2922 -27.6703 -27.6703 -27.6674 -27.6674 -27.6601 -27.6601 -27.6471 -27.6471 -14.5250 -14.5250 -13.0259 -13.0259 -13.0025 -13.0025 -8.0580 -8.0580 -7.6590 -7.6590 -7.5041 -7.5041 0.5071 0.5071 0.6404 0.6404 0.9078 0.9078 0.9435 0.9435 1.2267 1.2267 1.3941 1.3941 1.8330 1.8330 2.0909 2.0909 2.1142 2.1142 2.2801 2.2801 2.4693 2.4693 2.5646 2.5646 3.2336 3.2336 3.2708 3.2708 3.3937 3.3937 3.6155 3.6155 3.6987 3.6987 4.3305 4.3305 4.3750 4.3750 4.5357 4.5357 4.8186 4.8186 5.0837 5.0837 5.2218 5.2218 6.3797 6.3797 6.8114 6.8114 k = 0.1379 0.2389-0.0000 ( 6873 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3976 -36.3976 -36.3949 -36.3949 -29.3820 -29.3820 -29.2922 -29.2922 -27.6703 -27.6703 -27.6676 -27.6676 -27.6602 -27.6602 -27.6467 -27.6467 -14.5250 -14.5250 -13.0265 -13.0265 -13.0019 -13.0019 -8.0683 -8.0683 -7.6520 -7.6520 -7.4990 -7.4990 0.5063 0.5063 0.6212 0.6212 0.9032 0.9032 0.9363 0.9363 1.2397 1.2397 1.3872 1.3872 1.8406 1.8406 2.0943 2.0943 2.1304 2.1304 2.2801 2.2801 2.4721 2.4721 2.5539 2.5539 3.2353 3.2353 3.3173 3.3173 3.3765 3.3765 3.6427 3.6427 3.7291 3.7291 4.3135 4.3135 4.3857 4.3857 4.5140 4.5140 4.8058 4.8058 5.0677 5.0677 5.1954 5.1954 6.3733 6.3733 6.7632 6.7632 k = 0.1264 0.2190-0.0000 ( 6873 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3977 -36.3977 -36.3948 -36.3948 -29.3820 -29.3820 -29.2922 -29.2922 -27.6704 -27.6704 -27.6677 -27.6677 -27.6604 -27.6604 -27.6464 -27.6464 -14.5250 -14.5250 -13.0270 -13.0270 -13.0014 -13.0014 -8.0780 -8.0780 -7.6458 -7.6458 -7.4936 -7.4936 0.5056 0.5056 0.6029 0.6029 0.8988 0.8988 0.9296 0.9296 1.2522 1.2522 1.3806 1.3806 1.8472 1.8472 2.0971 2.0971 2.1476 2.1476 2.2805 2.2805 2.4743 2.4743 2.5442 2.5442 3.2352 3.2352 3.3533 3.3533 3.3725 3.3725 3.6690 3.6690 3.7615 3.7615 4.2712 4.2712 4.4161 4.4161 4.4952 4.4952 4.7950 4.7950 5.0482 5.0482 5.1718 5.1718 6.3663 6.3663 6.7174 6.7174 k = 0.1149 0.1991-0.0000 ( 6877 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3977 -36.3977 -36.3948 -36.3948 -29.3820 -29.3820 -29.2922 -29.2922 -27.6705 -27.6705 -27.6678 -27.6678 -27.6605 -27.6605 -27.6460 -27.6460 -14.5250 -14.5250 -13.0276 -13.0276 -13.0009 -13.0009 -8.0871 -8.0871 -7.6405 -7.6405 -7.4881 -7.4881 0.5049 0.5049 0.5854 0.5854 0.8948 0.8948 0.9233 0.9233 1.2639 1.2639 1.3745 1.3745 1.8529 1.8529 2.0998 2.0998 2.1650 2.1650 2.2812 2.2812 2.4759 2.4759 2.5356 2.5356 3.2345 3.2345 3.3431 3.3431 3.4157 3.4157 3.6939 3.6939 3.7963 3.7963 4.2251 4.2251 4.4381 4.4381 4.4868 4.4868 4.7858 4.7858 5.0249 5.0249 5.1520 5.1520 6.3586 6.3586 6.6745 6.6745 k = 0.1034 0.1792-0.0000 ( 6881 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3978 -36.3978 -36.3947 -36.3947 -29.3820 -29.3820 -29.2922 -29.2922 -27.6706 -27.6706 -27.6679 -27.6679 -27.6606 -27.6606 -27.6457 -27.6457 -14.5250 -14.5250 -13.0281 -13.0281 -13.0004 -13.0004 -8.0954 -8.0954 -7.6359 -7.6359 -7.4827 -7.4827 0.5042 0.5042 0.5690 0.5690 0.8910 0.8910 0.9177 0.9177 1.2746 1.2746 1.3693 1.3693 1.8579 1.8579 2.1023 2.1023 2.1821 2.1821 2.2822 2.2822 2.4771 2.4771 2.5280 2.5280 3.2333 3.2333 3.3305 3.3305 3.4614 3.4614 3.7171 3.7171 3.8337 3.8337 4.1777 4.1777 4.4345 4.4345 4.5034 4.5034 4.7779 4.7779 4.9982 4.9982 5.1360 5.1360 6.3499 6.3499 6.6350 6.6350 k = 0.0920 0.1593-0.0000 ( 6881 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3978 -36.3978 -36.3947 -36.3947 -29.3820 -29.3820 -29.2922 -29.2922 -27.6707 -27.6707 -27.6680 -27.6680 -27.6608 -27.6608 -27.6454 -27.6454 -14.5250 -14.5250 -13.0285 -13.0285 -12.9999 -12.9999 -8.1030 -8.1030 -7.6320 -7.6320 -7.4775 -7.4775 0.5035 0.5035 0.5539 0.5539 0.8877 0.8877 0.9126 0.9126 1.2840 1.2840 1.3651 1.3651 1.8622 1.8622 2.1046 2.1046 2.1984 2.1984 2.2836 2.2836 2.4777 2.4777 2.5216 2.5216 3.2316 3.2316 3.3196 3.3196 3.5052 3.5052 3.7383 3.7383 3.8736 3.8736 4.1303 4.1303 4.4183 4.4183 4.5313 4.5313 4.7711 4.7711 4.9692 4.9692 5.1234 5.1234 6.3401 6.3401 6.5995 6.5995 k = 0.0805 0.1394-0.0000 ( 6879 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3979 -36.3979 -36.3946 -36.3946 -29.3820 -29.3820 -29.2922 -29.2922 -27.6708 -27.6708 -27.6680 -27.6680 -27.6609 -27.6609 -27.6452 -27.6452 -14.5250 -14.5250 -13.0289 -13.0289 -12.9996 -12.9996 -8.1098 -8.1098 -7.6287 -7.6287 -7.4725 -7.4725 0.5029 0.5029 0.5402 0.5402 0.8847 0.8847 0.9081 0.9081 1.2917 1.2917 1.3621 1.3621 1.8661 1.8661 2.1067 2.1067 2.2135 2.2135 2.2855 2.2855 2.4779 2.4779 2.5162 2.5162 3.2294 3.2294 3.3104 3.3104 3.5467 3.5467 3.7572 3.7572 3.9156 3.9156 4.0839 4.0839 4.3993 4.3993 4.5598 4.5598 4.7652 4.7652 4.9393 4.9393 5.1135 5.1135 6.3295 6.3295 6.5685 6.5685 k = 0.0690 0.1195-0.0000 ( 6879 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3979 -36.3979 -36.3946 -36.3946 -29.3820 -29.3820 -29.2922 -29.2922 -27.6709 -27.6709 -27.6680 -27.6680 -27.6610 -27.6610 -27.6450 -27.6450 -14.5250 -14.5250 -13.0293 -13.0293 -12.9992 -12.9992 -8.1157 -8.1157 -7.6260 -7.6260 -7.4680 -7.4680 0.5023 0.5023 0.5280 0.5280 0.8820 0.8820 0.9042 0.9042 1.2976 1.2976 1.3605 1.3605 1.8694 1.8694 2.1086 2.1086 2.2269 2.2269 2.2879 2.2879 2.4775 2.4775 2.5120 2.5120 3.2268 3.2268 3.3031 3.3031 3.5856 3.5856 3.7737 3.7737 3.9593 3.9593 4.0390 4.0390 4.3792 4.3792 4.5863 4.5863 4.7602 4.7602 4.9099 4.9099 5.1055 5.1055 6.3180 6.3180 6.5422 6.5422 k = 0.0575 0.0995-0.0000 ( 6857 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1190 -38.1190 -36.3979 -36.3979 -36.3945 -36.3945 -29.3820 -29.3820 -29.2922 -29.2922 -27.6710 -27.6710 -27.6680 -27.6680 -27.6610 -27.6610 -27.6447 -27.6447 -14.5250 -14.5250 -13.0296 -13.0296 -12.9989 -12.9989 -8.1208 -8.1208 -7.6238 -7.6238 -7.4639 -7.4639 0.5018 0.5018 0.5175 0.5175 0.8797 0.8797 0.9009 0.9009 1.3017 1.3017 1.3601 1.3601 1.8722 1.8722 2.1103 2.1103 2.2380 2.2380 2.2911 2.2911 2.4768 2.4768 2.5087 2.5087 3.2240 3.2240 3.2975 3.2975 3.6220 3.6220 3.7873 3.7873 3.9963 3.9963 4.0041 4.0041 4.3579 4.3579 4.6101 4.6101 4.7560 4.7560 4.8821 4.8821 5.0992 5.0992 6.3064 6.3064 6.5208 6.5208 k = 0.0460 0.0796-0.0000 ( 6859 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1190 -38.1190 -36.3979 -36.3979 -36.3945 -36.3945 -29.3820 -29.3820 -29.2922 -29.2922 -27.6710 -27.6710 -27.6681 -27.6681 -27.6611 -27.6611 -27.6446 -27.6446 -14.5250 -14.5250 -13.0298 -13.0298 -12.9987 -12.9987 -8.1250 -8.1250 -7.6221 -7.6221 -7.4605 -7.4605 0.5014 0.5014 0.5088 0.5088 0.8779 0.8779 0.8983 0.8983 1.3042 1.3042 1.3608 1.3608 1.8746 1.8746 2.1117 2.1117 2.2465 2.2465 2.2949 2.2949 2.4759 2.4759 2.5063 2.5063 3.2212 3.2212 3.2934 3.2934 3.6563 3.6563 3.7978 3.7978 3.9571 3.9571 4.0485 4.0485 4.3351 4.3351 4.6305 4.6305 4.7525 4.7525 4.8572 4.8572 5.0942 5.0942 6.2951 6.2951 6.5039 6.5039 k = 0.0345 0.0597-0.0000 ( 6865 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3980 -36.3980 -36.3945 -36.3945 -29.3820 -29.3820 -29.2922 -29.2922 -27.6711 -27.6711 -27.6681 -27.6681 -27.6611 -27.6611 -27.6445 -27.6445 -14.5250 -14.5250 -13.0300 -13.0300 -12.9985 -12.9985 -8.1282 -8.1282 -7.6208 -7.6208 -7.4578 -7.4578 0.5005 0.5005 0.5024 0.5024 0.8764 0.8764 0.8962 0.8962 1.3055 1.3055 1.3619 1.3619 1.8765 1.8765 2.1128 2.1128 2.2525 2.2525 2.2989 2.2989 2.4749 2.4749 2.5046 2.5046 3.2186 3.2186 3.2905 3.2905 3.6886 3.6886 3.8042 3.8042 3.9218 3.9218 4.0921 4.0921 4.3104 4.3104 4.6470 4.6470 4.7497 4.7497 4.8362 4.8362 5.0904 5.0904 6.2851 6.2851 6.4913 6.4913 k = 0.0230 0.0398-0.0000 ( 6869 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3980 -36.3980 -36.3945 -36.3945 -29.3820 -29.3820 -29.2922 -29.2922 -27.6711 -27.6711 -27.6681 -27.6681 -27.6612 -27.6612 -27.6444 -27.6444 -14.5251 -14.5251 -13.0302 -13.0302 -12.9984 -12.9984 -8.1306 -8.1306 -7.6199 -7.6199 -7.4558 -7.4558 0.4967 0.4967 0.5011 0.5011 0.8753 0.8753 0.8948 0.8948 1.3061 1.3061 1.3631 1.3631 1.8778 1.8778 2.1136 2.1136 2.2564 2.2564 2.3025 2.3025 2.4741 2.4741 2.5035 2.5035 3.2166 3.2166 3.2886 3.2886 3.7191 3.7191 3.8046 3.8046 3.8930 3.8930 4.1334 4.1334 4.2837 4.2837 4.6592 4.6592 4.7476 4.7476 4.8204 4.8204 5.0878 5.0878 6.2773 6.2773 6.4826 6.4826 k = 0.0115 0.0199-0.0000 ( 6877 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3980 -36.3980 -36.3945 -36.3945 -29.3820 -29.3820 -29.2922 -29.2922 -27.6712 -27.6712 -27.6681 -27.6681 -27.6612 -27.6612 -27.6443 -27.6443 -14.5251 -14.5251 -13.0303 -13.0303 -12.9983 -12.9983 -8.1320 -8.1320 -7.6194 -7.6194 -7.4546 -7.4546 0.4937 0.4937 0.5008 0.5008 0.8747 0.8747 0.8939 0.8939 1.3064 1.3064 1.3639 1.3639 1.8786 1.8786 2.1140 2.1140 2.2585 2.2585 2.3050 2.3050 2.4736 2.4736 2.5028 2.5028 3.2153 3.2153 3.2875 3.2875 3.7473 3.7473 3.7961 3.7961 3.8744 3.8744 4.1703 4.1703 4.2561 4.2561 4.6666 4.6666 4.7463 4.7463 4.8104 4.8104 5.0862 5.0862 6.2723 6.2723 6.4776 6.4776 k = 0.0000 0.0000 0.0000 ( 6869 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3980 -36.3980 -36.3945 -36.3945 -29.3820 -29.3820 -29.2922 -29.2922 -27.6712 -27.6712 -27.6681 -27.6681 -27.6612 -27.6612 -27.6443 -27.6443 -14.5251 -14.5251 -13.0303 -13.0303 -12.9982 -12.9982 -8.1325 -8.1325 -7.6192 -7.6192 -7.4541 -7.4541 0.4927 0.4927 0.5008 0.5008 0.8745 0.8745 0.8936 0.8936 1.3064 1.3064 1.3642 1.3642 1.8789 1.8789 2.1142 2.1142 2.2591 2.2591 2.3058 2.3058 2.4734 2.4734 2.5026 2.5026 3.2149 3.2149 3.2872 3.2872 3.7662 3.7662 3.7836 3.7836 3.8684 3.8684 4.1911 4.1911 4.2386 4.2386 4.6691 4.6691 4.7458 4.7458 4.8071 4.8071 5.0857 5.0857 6.2706 6.2706 6.4760 6.4760 k = 0.0000 0.0000 0.0000 ( 6869 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3980 -36.3980 -36.3945 -36.3945 -29.3820 -29.3820 -29.2922 -29.2922 -27.6712 -27.6712 -27.6681 -27.6681 -27.6612 -27.6612 -27.6443 -27.6443 -14.5251 -14.5251 -13.0303 -13.0303 -12.9982 -12.9982 -8.1325 -8.1325 -7.6192 -7.6192 -7.4541 -7.4541 0.4927 0.4927 0.5008 0.5008 0.8745 0.8745 0.8936 0.8936 1.3064 1.3064 1.3642 1.3642 1.8789 1.8789 2.1142 2.1142 2.2591 2.2591 2.3058 2.3058 2.4734 2.4734 2.5026 2.5026 3.2149 3.2149 3.2872 3.2872 3.7662 3.7662 3.7836 3.7836 3.8684 3.8684 4.1911 4.1911 4.2386 4.2386 4.6691 4.6691 4.7458 4.7458 4.8071 4.8071 5.0857 5.0857 6.2706 6.2706 6.4760 6.4760 k = 0.0000 0.0000 0.0232 ( 6869 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3980 -36.3980 -36.3945 -36.3945 -29.3821 -29.3821 -29.2922 -29.2922 -27.6712 -27.6712 -27.6682 -27.6682 -27.6613 -27.6613 -27.6443 -27.6443 -14.5236 -14.5236 -13.0288 -13.0288 -12.9968 -12.9968 -8.1324 -8.1324 -7.6191 -7.6191 -7.4541 -7.4541 0.4928 0.4928 0.4945 0.4945 0.8717 0.8717 0.8920 0.8920 1.3057 1.3057 1.3637 1.3637 1.8748 1.8748 2.1070 2.1070 2.2563 2.2563 2.3044 2.3044 2.4632 2.4632 2.4928 2.4928 3.2252 3.2252 3.2970 3.2970 3.7626 3.7626 3.7849 3.7849 3.8662 3.8662 4.1911 4.1911 4.2393 4.2393 4.6666 4.6666 4.7505 4.7505 4.8073 4.8073 5.0898 5.0898 6.2755 6.2755 6.4800 6.4800 k = 0.0000 0.0000 0.0464 ( 6857 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5732 -63.5732 -38.1191 -38.1191 -36.3980 -36.3980 -36.3945 -36.3945 -29.3825 -29.3825 -29.2922 -29.2922 -27.6711 -27.6711 -27.6685 -27.6685 -27.6617 -27.6617 -27.6443 -27.6443 -14.5192 -14.5192 -13.0245 -13.0245 -12.9925 -12.9925 -8.1323 -8.1323 -7.6188 -7.6188 -7.4538 -7.4538 0.4754 0.4754 0.4930 0.4930 0.8636 0.8636 0.8871 0.8871 1.3037 1.3037 1.3620 1.3620 1.8625 1.8625 2.0854 2.0854 2.2481 2.2481 2.3002 2.3002 2.4341 2.4341 2.4646 2.4646 3.2546 3.2546 3.3248 3.3248 3.7531 3.7531 3.7879 3.7879 3.8599 3.8599 4.1914 4.1914 4.2415 4.2415 4.6593 4.6593 4.7644 4.7644 4.8078 4.8078 5.1023 5.1023 6.2903 6.2903 6.4919 6.4919 k = 0.0000 0.0000 0.0696 ( 6827 PWs) bands (ev): -65.3188 -65.3188 -63.5734 -63.5734 -63.5731 -63.5731 -38.1191 -38.1191 -36.3981 -36.3981 -36.3946 -36.3946 -29.3830 -29.3830 -29.2921 -29.2921 -27.6711 -27.6711 -27.6691 -27.6691 -27.6623 -27.6623 -27.6442 -27.6442 -14.5120 -14.5120 -13.0172 -13.0172 -12.9853 -12.9853 -8.1322 -8.1322 -7.6183 -7.6183 -7.4534 -7.4534 0.4436 0.4436 0.4934 0.4934 0.8506 0.8506 0.8789 0.8789 1.3002 1.3002 1.3592 1.3592 1.8418 1.8418 2.0498 2.0498 2.2350 2.2350 2.2931 2.2931 2.3899 2.3899 2.4216 2.4216 3.2992 3.2992 3.3673 3.3673 3.7386 3.7386 3.7917 3.7917 3.8497 3.8497 4.1919 4.1919 4.2451 4.2451 4.6476 4.6476 4.7870 4.7870 4.8088 4.8088 5.1229 5.1229 6.3147 6.3147 6.5115 6.5115 k = 0.0000 0.0000 0.0928 ( 6821 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5731 -63.5731 -38.1192 -38.1192 -36.3982 -36.3982 -36.3946 -36.3946 -29.3839 -29.3839 -29.2921 -29.2921 -27.6710 -27.6710 -27.6700 -27.6700 -27.6631 -27.6631 -27.6442 -27.6442 -14.5019 -14.5019 -13.0070 -13.0070 -12.9752 -12.9752 -8.1319 -8.1319 -7.6176 -7.6176 -7.4528 -7.4528 0.3990 0.3990 0.4939 0.4939 0.8332 0.8332 0.8676 0.8676 1.2950 1.2950 1.3557 1.3557 1.8126 1.8126 2.0011 2.0011 2.2178 2.2178 2.2833 2.2833 2.3345 2.3345 2.3678 2.3678 3.3548 3.3548 3.4203 3.4203 3.7196 3.7196 3.7964 3.7964 3.8360 3.8360 4.1926 4.1926 4.2498 4.2498 4.6318 4.6318 4.8101 4.8101 4.8180 4.8180 5.1514 5.1514 6.3483 6.3483 6.5380 6.5380 k = 0.0000 0.0000 0.1160 ( 6827 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5731 -63.5731 -38.1193 -38.1193 -36.3983 -36.3983 -36.3948 -36.3948 -29.3850 -29.3850 -29.2920 -29.2920 -27.6711 -27.6711 -27.6710 -27.6710 -27.6642 -27.6642 -27.6441 -27.6441 -14.4890 -14.4890 -12.9941 -12.9941 -12.9624 -12.9624 -8.1317 -8.1317 -7.6167 -7.6167 -7.4520 -7.4520 0.3418 0.3418 0.4944 0.4944 0.8122 0.8122 0.8529 0.8529 1.2877 1.2877 1.3514 1.3514 1.7752 1.7752 1.9400 1.9400 2.1974 2.1974 2.2702 2.2702 2.2712 2.2712 2.3070 2.3070 3.4177 3.4177 3.4806 3.4806 3.6968 3.6968 3.8018 3.8018 3.8193 3.8193 4.1934 4.1934 4.2555 4.2555 4.6125 4.6125 4.8117 4.8117 4.8568 4.8568 5.1875 5.1875 6.3904 6.3904 6.5707 6.5707 k = 0.0000 0.0000 0.1392 ( 6845 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5731 -63.5731 -38.1195 -38.1195 -36.3984 -36.3984 -36.3949 -36.3949 -29.3863 -29.3863 -29.2920 -29.2920 -27.6725 -27.6725 -27.6709 -27.6709 -27.6657 -27.6657 -27.6441 -27.6441 -14.4733 -14.4733 -12.9783 -12.9783 -12.9468 -12.9468 -8.1313 -8.1313 -7.6156 -7.6156 -7.4511 -7.4511 0.2725 0.2725 0.4952 0.4952 0.7881 0.7881 0.8351 0.8351 1.2774 1.2774 1.3468 1.3468 1.7300 1.7300 1.8676 1.8676 2.1748 2.1748 2.2027 2.2027 2.2366 2.2366 2.2593 2.2593 3.4855 3.4855 3.5455 3.5455 3.6707 3.6707 3.8003 3.8003 3.8081 3.8081 4.1945 4.1945 4.2621 4.2621 4.5901 4.5901 4.8137 4.8137 4.9030 4.9030 5.2309 5.2309 6.4403 6.4403 6.6085 6.6085 k = 0.0000 0.0000 0.1624 ( 6839 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5731 -63.5731 -38.1196 -38.1196 -36.3986 -36.3986 -36.3951 -36.3951 -29.3878 -29.3878 -29.2919 -29.2919 -27.6741 -27.6741 -27.6708 -27.6708 -27.6672 -27.6672 -27.6440 -27.6440 -14.4550 -14.4550 -12.9599 -12.9599 -12.9286 -12.9286 -8.1309 -8.1309 -7.6144 -7.6144 -7.4501 -7.4501 0.1918 0.1918 0.4960 0.4960 0.7613 0.7613 0.8141 0.8141 1.2630 1.2630 1.3419 1.3419 1.6787 1.6787 1.7847 1.7847 2.1306 2.1306 2.1507 2.1507 2.1685 2.1685 2.2405 2.2405 3.5561 3.5561 3.6130 3.6130 3.6421 3.6421 3.7794 3.7794 3.8150 3.8150 4.1956 4.1956 4.2693 4.2693 4.5653 4.5653 4.8160 4.8160 4.9559 4.9559 5.2811 5.2811 6.4976 6.4976 6.6503 6.6503 k = 0.0000 0.0000 0.1856 ( 6851 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5731 -63.5731 -38.1198 -38.1198 -36.3988 -36.3988 -36.3953 -36.3953 -29.3895 -29.3895 -29.2918 -29.2918 -27.6759 -27.6759 -27.6708 -27.6708 -27.6690 -27.6690 -27.6439 -27.6439 -14.4340 -14.4340 -12.9389 -12.9389 -12.9078 -12.9078 -8.1305 -8.1305 -7.6130 -7.6130 -7.4489 -7.4489 0.1007 0.1007 0.4969 0.4969 0.7322 0.7322 0.7902 0.7902 1.2421 1.2421 1.3370 1.3370 1.6236 1.6236 1.6923 1.6923 2.0565 2.0565 2.0971 2.0971 2.1257 2.1257 2.2210 2.2210 3.6115 3.6115 3.6283 3.6283 3.6816 3.6816 3.7575 3.7575 3.8226 3.8226 4.1970 4.1970 4.2771 4.2771 4.5385 4.5385 4.8186 4.8186 5.0152 5.0152 5.3376 5.3376 6.5614 6.5614 6.6944 6.6944 k = 0.0000 0.0000 0.2088 ( 6833 PWs) bands (ev): -65.3187 -65.3187 -63.5733 -63.5733 -63.5731 -63.5731 -38.1200 -38.1200 -36.3990 -36.3990 -36.3954 -36.3954 -29.3914 -29.3914 -29.2917 -29.2917 -27.6778 -27.6778 -27.6709 -27.6709 -27.6707 -27.6707 -27.6438 -27.6438 -14.4105 -14.4105 -12.9153 -12.9153 -12.8845 -12.8845 -8.1301 -8.1301 -7.6114 -7.6114 -7.4475 -7.4475 0.0001 0.0001 0.4979 0.4979 0.7010 0.7010 0.7635 0.7635 1.2116 1.2116 1.3323 1.3323 1.5688 1.5688 1.5913 1.5913 1.9813 1.9813 2.0247 2.0247 2.1001 2.1001 2.1996 2.1996 3.5797 3.5797 3.7010 3.7010 3.7335 3.7335 3.7516 3.7516 3.8307 3.8307 4.1985 4.1985 4.2855 4.2855 4.5103 4.5103 4.8216 4.8216 5.0802 5.0802 5.4001 5.4001 6.6310 6.6310 6.7391 6.7391 k = 0.0000 0.0000 0.2320 ( 6845 PWs) bands (ev): -65.3187 -65.3187 -63.5733 -63.5733 -63.5731 -63.5731 -38.1203 -38.1203 -36.3992 -36.3992 -36.3957 -36.3957 -29.3935 -29.3935 -29.2916 -29.2916 -27.6800 -27.6800 -27.6731 -27.6731 -27.6706 -27.6706 -27.6437 -27.6437 -14.3847 -14.3847 -12.8894 -12.8894 -12.8588 -12.8588 -8.1296 -8.1296 -7.6096 -7.6096 -7.4461 -7.4461 -0.1087 -0.1087 0.4990 0.4990 0.6681 0.6681 0.7343 0.7343 1.1673 1.1673 1.3277 1.3277 1.4827 1.4827 1.5192 1.5192 1.9059 1.9059 1.9520 1.9520 2.0742 2.0742 2.1764 2.1764 3.5473 3.5473 3.7112 3.7112 3.7735 3.7735 3.8189 3.8189 3.8391 3.8391 4.2002 4.2002 4.2945 4.2945 4.4812 4.4812 4.8248 4.8248 5.1503 5.1503 5.4678 5.4678 6.7058 6.7058 6.7823 6.7823 k = 0.0000 0.0000 0.2552 ( 6845 PWs) bands (ev): -65.3187 -65.3187 -63.5733 -63.5733 -63.5731 -63.5731 -38.1205 -38.1205 -36.3995 -36.3995 -36.3959 -36.3959 -29.3958 -29.3958 -29.2915 -29.2915 -27.6823 -27.6823 -27.6754 -27.6754 -27.6705 -27.6705 -27.6436 -27.6436 -14.3566 -14.3566 -12.8611 -12.8611 -12.8309 -12.8309 -8.1291 -8.1291 -7.6078 -7.6078 -7.4445 -7.4445 -0.2246 -0.2246 0.5001 0.5001 0.6337 0.6337 0.7028 0.7028 1.1062 1.1062 1.3235 1.3235 1.3674 1.3674 1.4789 1.4789 1.8310 1.8310 1.8797 1.8797 2.0480 2.0480 2.1515 2.1515 3.5147 3.5147 3.6882 3.6882 3.8452 3.8452 3.8479 3.8479 3.8853 3.8853 4.2020 4.2020 4.3042 4.3042 4.4515 4.4515 4.8283 4.8283 5.2250 5.2250 5.5404 5.5404 6.7849 6.7849 6.8221 6.8221 k = 0.0000 0.0000 0.2784 ( 6857 PWs) bands (ev): -65.3187 -65.3187 -63.5732 -63.5732 -63.5731 -63.5731 -38.1208 -38.1208 -36.3997 -36.3997 -36.3962 -36.3962 -29.3982 -29.3982 -29.2914 -29.2914 -27.6849 -27.6849 -27.6780 -27.6780 -27.6703 -27.6703 -27.6434 -27.6434 -14.3263 -14.3263 -12.8307 -12.8307 -12.8008 -12.8008 -8.1286 -8.1286 -7.6057 -7.6057 -7.4428 -7.4428 -0.3465 -0.3465 0.5011 0.5011 0.5979 0.5979 0.6694 0.6694 1.0282 1.0282 1.2465 1.2465 1.3195 1.3195 1.4490 1.4490 1.7571 1.7571 1.8083 1.8083 2.0217 2.0217 2.1252 2.1252 3.4824 3.4824 3.6657 3.6657 3.8567 3.8567 3.9156 3.9156 3.9495 3.9495 4.2039 4.2039 4.3148 4.3148 4.4217 4.4217 4.8320 4.8320 5.3038 5.3038 5.6173 5.6173 6.8571 6.8571 6.8679 6.8679 k = 0.0000 0.0000 0.3016 ( 6845 PWs) bands (ev): -65.3187 -65.3187 -63.5732 -63.5732 -63.5731 -63.5731 -38.1210 -38.1210 -36.4000 -36.4000 -36.3964 -36.3964 -29.4008 -29.4008 -29.2912 -29.2912 -27.6874 -27.6874 -27.6806 -27.6806 -27.6702 -27.6702 -27.6433 -27.6433 -14.2940 -14.2940 -12.7983 -12.7983 -12.7688 -12.7688 -8.1281 -8.1281 -7.6036 -7.6036 -7.4409 -7.4409 -0.4732 -0.4732 0.5021 0.5021 0.5612 0.5612 0.6344 0.6344 0.9359 0.9359 1.1212 1.1212 1.3158 1.3158 1.4280 1.4280 1.6844 1.6844 1.7381 1.7381 1.9951 1.9951 2.0975 2.0975 3.4507 3.4507 3.6439 3.6439 3.8656 3.8656 3.9843 3.9843 4.0107 4.0107 4.2060 4.2060 4.3267 4.3267 4.3920 4.3920 4.8359 4.8359 5.3863 5.3863 5.6979 5.6979 6.8867 6.8867 6.9540 6.9540 k = 0.0000 0.0000 0.3248 ( 6845 PWs) bands (ev): -65.3187 -65.3187 -63.5732 -63.5732 -63.5731 -63.5731 -38.1213 -38.1213 -36.4003 -36.4003 -36.3967 -36.3967 -29.4034 -29.4034 -29.2911 -29.2911 -27.6902 -27.6902 -27.6833 -27.6833 -27.6701 -27.6701 -27.6432 -27.6432 -14.2600 -14.2600 -12.7641 -12.7641 -12.7349 -12.7349 -8.1276 -8.1276 -7.6013 -7.6013 -7.4391 -7.4391 -0.6037 -0.6037 0.5028 0.5028 0.5236 0.5236 0.5981 0.5981 0.8329 0.8329 0.9924 0.9924 1.3122 1.3122 1.4135 1.4135 1.6133 1.6133 1.6697 1.6697 1.9683 1.9683 2.0687 2.0687 3.4200 3.4200 3.6231 3.6231 3.8744 3.8744 4.0510 4.0510 4.0679 4.0679 4.2081 4.2081 4.3403 4.3403 4.3629 4.3629 4.8399 4.8399 5.4717 5.4717 5.7817 5.7817 6.9110 6.9110 7.0427 7.0427 k = 0.0000 0.0000 0.3480 ( 6857 PWs) bands (ev): -65.3187 -65.3187 -63.5732 -63.5732 -63.5730 -63.5730 -38.1216 -38.1216 -36.4006 -36.4006 -36.3970 -36.3970 -29.4062 -29.4062 -29.2910 -29.2910 -27.6930 -27.6930 -27.6862 -27.6862 -27.6699 -27.6699 -27.6430 -27.6430 -14.2242 -14.2242 -12.7282 -12.7282 -12.6995 -12.6995 -8.1271 -8.1271 -7.5990 -7.5990 -7.4371 -7.4371 -0.7369 -0.7369 0.4853 0.4853 0.5027 0.5027 0.5608 0.5608 0.7222 0.7222 0.8617 0.8617 1.3084 1.3084 1.4034 1.4034 1.5440 1.5440 1.6034 1.6034 1.9413 1.9413 2.0390 2.0390 3.3905 3.3905 3.6033 3.6033 3.8828 3.8828 4.1153 4.1153 4.1200 4.1200 4.2104 4.2104 4.3346 4.3346 4.3566 4.3566 4.8441 4.8441 5.5598 5.5598 5.8681 5.8681 6.9305 6.9305 7.1334 7.1334 k = 0.0000 0.0000 0.3712 ( 6845 PWs) bands (ev): -65.3186 -65.3186 -63.5732 -63.5732 -63.5730 -63.5730 -38.1219 -38.1219 -36.4008 -36.4008 -36.3974 -36.3974 -29.4090 -29.4090 -29.2908 -29.2908 -27.6959 -27.6959 -27.6892 -27.6892 -27.6697 -27.6697 -27.6429 -27.6429 -14.1870 -14.1870 -12.6908 -12.6908 -12.6626 -12.6626 -8.1267 -8.1267 -7.5965 -7.5965 -7.4350 -7.4350 -0.8720 -0.8720 0.4465 0.4465 0.5007 0.5007 0.5230 0.5230 0.6065 0.6065 0.7312 0.7312 1.3040 1.3040 1.3963 1.3963 1.4766 1.4766 1.5399 1.5399 1.9141 1.9141 2.0087 2.0087 3.3624 3.3624 3.5847 3.5847 3.8907 3.8907 4.1660 4.1660 4.1769 4.1769 4.2130 4.2130 4.3074 4.3074 4.3764 4.3764 4.8485 4.8485 5.6500 5.6500 5.9567 5.9567 6.9462 6.9462 7.2255 7.2255 k = 0.0000 0.0000 0.3944 ( 6845 PWs) bands (ev): -65.3186 -65.3186 -63.5732 -63.5732 -63.5730 -63.5730 -38.1222 -38.1222 -36.4012 -36.4012 -36.3977 -36.3977 -29.4120 -29.4120 -29.2907 -29.2907 -27.6989 -27.6989 -27.6923 -27.6923 -27.6696 -27.6696 -27.6427 -27.6427 -14.1485 -14.1485 -12.6522 -12.6522 -12.6244 -12.6244 -8.1263 -8.1263 -7.5940 -7.5940 -7.4330 -7.4330 -1.0079 -1.0079 0.4062 0.4062 0.4848 0.4848 0.4888 0.4888 0.4895 0.4895 0.6090 0.6090 1.2979 1.2979 1.3913 1.3913 1.4114 1.4114 1.4803 1.4803 1.8869 1.8869 1.9778 1.9778 3.3359 3.3359 3.5674 3.5674 3.8979 3.8979 4.2047 4.2047 4.2140 4.2140 4.2375 4.2375 4.2817 4.2817 4.4006 4.4006 4.8529 4.8529 5.7418 5.7418 6.0467 6.0467 6.9589 6.9589 7.3187 7.3187 k = 0.0000 0.0000 0.4176 ( 6845 PWs) bands (ev): -65.3186 -65.3186 -63.5732 -63.5732 -63.5729 -63.5729 -38.1225 -38.1225 -36.4015 -36.4015 -36.3980 -36.3980 -29.4149 -29.4149 -29.2905 -29.2905 -27.7019 -27.7019 -27.6953 -27.6953 -27.6694 -27.6694 -27.6426 -27.6426 -14.1090 -14.1090 -12.6124 -12.6124 -12.5852 -12.5852 -8.1259 -8.1259 -7.5914 -7.5914 -7.4308 -7.4308 -1.1440 -1.1440 0.3485 0.3485 0.3866 0.3866 0.4256 0.4256 0.4467 0.4467 0.5393 0.5393 1.2880 1.2880 1.3484 1.3484 1.3878 1.3878 1.4271 1.4271 1.8597 1.8597 1.9467 1.9467 3.3109 3.3109 3.5513 3.5513 3.9041 3.9041 4.2170 4.2170 4.2357 4.2357 4.2578 4.2578 4.2934 4.2934 4.4295 4.4295 4.8573 4.8573 5.8347 5.8347 6.1378 6.1378 6.9693 6.9693 7.4123 7.4123 k = 0.0000 0.0000 0.4408 ( 6821 PWs) bands (ev): -65.3186 -65.3186 -63.5731 -63.5731 -63.5729 -63.5729 -38.1228 -38.1228 -36.4018 -36.4018 -36.3983 -36.3983 -29.4178 -29.4178 -29.2904 -29.2904 -27.7050 -27.7050 -27.6984 -27.6984 -27.6692 -27.6692 -27.6424 -27.6424 -14.0687 -14.0687 -12.5719 -12.5719 -12.5452 -12.5452 -8.1256 -8.1256 -7.5888 -7.5888 -7.4287 -7.4287 -1.2792 -1.2792 0.2362 0.2362 0.3055 0.3055 0.3386 0.3386 0.4088 0.4088 0.5266 0.5266 1.2696 1.2696 1.2877 1.2877 1.3847 1.3847 1.3855 1.3855 1.8325 1.8325 1.9155 1.9155 3.2876 3.2876 3.5366 3.5366 3.9089 3.9089 4.2195 4.2195 4.2359 4.2359 4.2599 4.2599 4.3469 4.3469 4.4623 4.4623 4.8618 4.8618 5.9283 5.9283 6.2293 6.2293 6.9782 6.9782 7.4927 7.4927 k = 0.0000 0.0000 0.4640 ( 6839 PWs) bands (ev): -65.3186 -65.3186 -63.5731 -63.5731 -63.5729 -63.5729 -38.1232 -38.1232 -36.4021 -36.4021 -36.3986 -36.3986 -29.4208 -29.4208 -29.2902 -29.2902 -27.7081 -27.7081 -27.7015 -27.7015 -27.6691 -27.6691 -27.6423 -27.6423 -14.0278 -14.0278 -12.5308 -12.5308 -12.5047 -12.5047 -8.1253 -8.1253 -7.5861 -7.5861 -7.4265 -7.4265 -1.4130 -1.4130 0.1152 0.1152 0.1765 0.1765 0.3003 0.3003 0.3715 0.3715 0.5242 0.5242 1.2295 1.2295 1.2384 1.2384 1.3579 1.3579 1.3841 1.3841 1.8056 1.8056 1.8845 1.8845 3.2660 3.2660 3.5231 3.5231 3.9121 3.9121 4.2166 4.2166 4.2219 4.2219 4.2785 4.2785 4.3973 4.3973 4.4973 4.4973 4.8661 4.8661 6.0220 6.0220 6.3207 6.3207 6.9859 6.9859 7.4920 7.4920 k = 0.0000 0.0000 0.4871 ( 6845 PWs) bands (ev): -65.3185 -65.3185 -63.5731 -63.5731 -63.5729 -63.5729 -38.1235 -38.1235 -36.4025 -36.4025 -36.3989 -36.3989 -29.4238 -29.4238 -29.2901 -29.2901 -27.7111 -27.7111 -27.7045 -27.7045 -27.6690 -27.6690 -27.6421 -27.6421 -13.9866 -13.9866 -12.4893 -12.4893 -12.4638 -12.4638 -8.1252 -8.1252 -7.5835 -7.5835 -7.4244 -7.4244 -1.5445 -1.5445 -0.0057 -0.0057 0.0474 0.0474 0.2638 0.2638 0.3349 0.3349 0.5241 0.5241 1.1738 1.1738 1.1967 1.1967 1.3441 1.3441 1.3833 1.3833 1.7789 1.7789 1.8538 1.8538 3.2461 3.2461 3.5108 3.5108 3.9133 3.9133 4.2001 4.2001 4.2244 4.2244 4.2933 4.2933 4.4448 4.4448 4.5330 4.5330 4.8704 4.8704 6.1155 6.1155 6.4112 6.4112 6.9929 6.9929 7.4915 7.4915 k = 0.0000 0.0000 0.5103 ( 6839 PWs) bands (ev): -65.3185 -65.3185 -63.5731 -63.5731 -63.5729 -63.5729 -38.1238 -38.1238 -36.4028 -36.4028 -36.3992 -36.3992 -29.4267 -29.4267 -29.2899 -29.2899 -27.7142 -27.7142 -27.7075 -27.7075 -27.6688 -27.6688 -27.6420 -27.6420 -13.9453 -13.9453 -12.4477 -12.4477 -12.4229 -12.4229 -8.1251 -8.1251 -7.5809 -7.5809 -7.4222 -7.4222 -1.6731 -1.6731 -0.1249 -0.1249 -0.0796 -0.0796 0.2287 0.2287 0.2993 0.2993 0.5247 0.5247 1.1207 1.1207 1.1509 1.1509 1.3373 1.3373 1.3831 1.3831 1.7526 1.7526 1.8237 1.8237 3.2278 3.2278 3.4997 3.4997 3.9122 3.9122 4.1868 4.1868 4.2268 4.2268 4.3054 4.3054 4.4893 4.4893 4.5682 4.5682 4.8746 4.8746 6.2083 6.2083 6.5003 6.5003 6.9998 6.9998 7.4912 7.4912 k = 0.0000 0.0000 0.5335 ( 6839 PWs) bands (ev): -65.3185 -65.3185 -63.5730 -63.5730 -63.5729 -63.5729 -38.1241 -38.1241 -36.4031 -36.4031 -36.3996 -36.3996 -29.4296 -29.4296 -29.2898 -29.2898 -27.7171 -27.7171 -27.7105 -27.7105 -27.6687 -27.6687 -27.6418 -27.6418 -13.9042 -13.9042 -12.4064 -12.4064 -12.3822 -12.3822 -8.1250 -8.1250 -7.5782 -7.5782 -7.4201 -7.4201 -1.7981 -1.7981 -0.2415 -0.2415 -0.2035 -0.2035 0.1949 0.1949 0.2648 0.2648 0.5256 0.5256 1.0704 1.0704 1.1044 1.1044 1.3338 1.3338 1.3833 1.3833 1.7268 1.7268 1.7943 1.7943 3.2111 3.2111 3.4897 3.4897 3.9089 3.9089 4.1767 4.1767 4.2291 4.2291 4.3155 4.3155 4.5307 4.5307 4.6021 4.6021 4.8787 4.8787 6.2997 6.2997 6.5870 6.5870 7.0071 7.0071 7.4910 7.4910 k = 0.0000 0.0000 0.5567 ( 6827 PWs) bands (ev): -65.3185 -65.3185 -63.5730 -63.5730 -63.5728 -63.5728 -38.1244 -38.1244 -36.4034 -36.4034 -36.3999 -36.3999 -29.4324 -29.4324 -29.2896 -29.2896 -27.7200 -27.7200 -27.7134 -27.7134 -27.6685 -27.6685 -27.6417 -27.6417 -13.8636 -13.8636 -12.3655 -12.3655 -12.3420 -12.3420 -8.1251 -8.1251 -7.5757 -7.5757 -7.4180 -7.4180 -1.9190 -1.9190 -0.3546 -0.3546 -0.3233 -0.3233 0.1625 0.1625 0.2317 0.2317 0.5267 0.5267 1.0229 1.0229 1.0591 1.0591 1.3320 1.3320 1.3839 1.3839 1.7017 1.7017 1.7658 1.7658 3.1960 3.1960 3.4808 3.4808 3.9032 3.9032 4.1697 4.1697 4.2314 4.2314 4.3243 4.3243 4.5692 4.5692 4.6342 4.6342 4.8825 4.8825 6.3895 6.3895 6.6703 6.6703 7.0154 7.0154 7.4910 7.4910 k = 0.0000 0.0000 0.5799 ( 6839 PWs) bands (ev): -65.3185 -65.3185 -63.5730 -63.5730 -63.5728 -63.5728 -38.1247 -38.1247 -36.4037 -36.4037 -36.4002 -36.4002 -29.4352 -29.4352 -29.2895 -29.2895 -27.7229 -27.7229 -27.7162 -27.7162 -27.6684 -27.6684 -27.6415 -27.6415 -13.8237 -13.8237 -12.3254 -12.3254 -12.3026 -12.3026 -8.1252 -8.1252 -7.5731 -7.5731 -7.4160 -7.4160 -2.0351 -2.0351 -0.4637 -0.4637 -0.4386 -0.4386 0.1316 0.1316 0.2000 0.2000 0.5277 0.5277 0.9782 0.9782 1.0157 1.0157 1.3312 1.3312 1.3849 1.3849 1.6774 1.6774 1.7383 1.7383 3.1822 3.1822 3.4728 3.4728 3.8956 3.8956 4.1656 4.1656 4.2337 4.2337 4.3319 4.3319 4.6048 4.6048 4.6642 4.6642 4.8860 4.8860 6.4770 6.4770 6.7483 6.7483 7.0260 7.0260 7.4911 7.4911 k = 0.0000 0.0000 0.6031 ( 6850 PWs) bands (ev): -65.3185 -65.3185 -63.5730 -63.5730 -63.5728 -63.5728 -38.1250 -38.1250 -36.4040 -36.4040 -36.4004 -36.4004 -29.4378 -29.4378 -29.2894 -29.2894 -27.7256 -27.7256 -27.7190 -27.7190 -27.6682 -27.6682 -27.6414 -27.6414 -13.7849 -13.7849 -12.2863 -12.2863 -12.2642 -12.2642 -8.1253 -8.1253 -7.5707 -7.5707 -7.4141 -7.4141 -2.1459 -2.1459 -0.5681 -0.5681 -0.5487 -0.5487 0.1025 0.1025 0.1700 0.1700 0.5286 0.5286 0.9365 0.9365 0.9746 0.9746 1.3311 1.3311 1.3862 1.3862 1.6539 1.6539 1.7121 1.7121 3.1699 3.1699 3.4658 3.4658 3.8863 3.8863 4.1640 4.1640 4.2358 4.2358 4.3387 4.3387 4.6375 4.6375 4.6919 4.6919 4.8893 4.8893 6.5617 6.5617 6.8185 6.8185 7.0413 7.0413 7.4913 7.4913 k = 0.0000 0.0000 0.6263 ( 6850 PWs) bands (ev): -65.3184 -65.3184 -63.5730 -63.5730 -63.5728 -63.5728 -38.1253 -38.1253 -36.4042 -36.4042 -36.4007 -36.4007 -29.4403 -29.4403 -29.2893 -29.2893 -27.7281 -27.7281 -27.7216 -27.7216 -27.6681 -27.6681 -27.6413 -27.6413 -13.7475 -13.7475 -12.2486 -12.2486 -12.2272 -12.2272 -8.1256 -8.1256 -7.5684 -7.5684 -7.4123 -7.4123 -2.2508 -2.2508 -0.6671 -0.6671 -0.6530 -0.6530 0.0750 0.0750 0.1418 0.1418 0.5294 0.5294 0.8978 0.8978 0.9361 0.9361 1.3313 1.3313 1.3877 1.3877 1.6314 1.6314 1.6873 1.6873 3.1588 3.1588 3.4596 3.4596 3.8760 3.8760 4.1644 4.1644 4.2379 4.2379 4.3449 4.3449 4.6676 4.6676 4.7174 4.7174 4.8922 4.8922 6.6432 6.6432 6.8767 6.8767 7.0649 7.0649 7.4917 7.4917 k = 0.0000 0.0000 0.6495 ( 6838 PWs) bands (ev): -65.3184 -65.3184 -63.5730 -63.5730 -63.5728 -63.5728 -38.1255 -38.1255 -36.4045 -36.4045 -36.4010 -36.4010 -29.4427 -29.4427 -29.2891 -29.2891 -27.7305 -27.7305 -27.7240 -27.7240 -27.6679 -27.6679 -27.6411 -27.6411 -13.7118 -13.7118 -12.2125 -12.2125 -12.1919 -12.1919 -8.1259 -8.1259 -7.5661 -7.5661 -7.4105 -7.4105 -2.3493 -2.3493 -0.7603 -0.7603 -0.7511 -0.7511 0.0495 0.0495 0.1155 0.1155 0.5301 0.5301 0.8621 0.8621 0.9004 0.9004 1.3318 1.3318 1.3896 1.3896 1.6100 1.6100 1.6639 1.6639 3.1490 3.1490 3.4541 3.4541 3.8651 3.8651 4.1662 4.1662 4.2398 4.2398 4.3504 4.3504 4.6950 4.6950 4.7405 4.7405 4.8948 4.8948 6.7209 6.7209 6.9187 6.9187 7.1006 7.1006 7.4921 7.4921 k = 0.0000 0.0000 0.6727 ( 6826 PWs) bands (ev): -65.3184 -65.3184 -63.5730 -63.5730 -63.5727 -63.5727 -38.1257 -38.1257 -36.4047 -36.4047 -36.4012 -36.4012 -29.4448 -29.4448 -29.2890 -29.2890 -27.7328 -27.7328 -27.7263 -27.7263 -27.6678 -27.6678 -27.6410 -27.6410 -13.6779 -13.6779 -12.1784 -12.1784 -12.1584 -12.1584 -8.1262 -8.1262 -7.5640 -7.5640 -7.4089 -7.4089 -2.4411 -2.4411 -0.8472 -0.8472 -0.8423 -0.8423 0.0259 0.0259 0.0911 0.0911 0.5307 0.5307 0.8296 0.8296 0.8675 0.8675 1.3325 1.3325 1.3917 1.3917 1.5897 1.5897 1.6421 1.6421 3.1403 3.1403 3.4493 3.4493 3.8540 3.8540 4.1691 4.1691 4.2417 4.2417 4.3553 4.3553 4.7198 4.7198 4.7613 4.7613 4.8969 4.8969 6.7943 6.7943 6.9450 6.9450 7.1472 7.1472 7.4926 7.4926 k = 0.0000 0.0000 0.6959 ( 6826 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1260 -38.1260 -36.4049 -36.4049 -36.4015 -36.4015 -29.4469 -29.4469 -29.2889 -29.2889 -27.7349 -27.7349 -27.7284 -27.7284 -27.6677 -27.6677 -27.6409 -27.6409 -13.6463 -13.6463 -12.1465 -12.1465 -12.1272 -12.1272 -8.1266 -8.1266 -7.5621 -7.5621 -7.4073 -7.4073 -2.5255 -2.5255 -0.9273 -0.9273 -0.9264 -0.9264 0.0043 0.0043 0.0688 0.0688 0.5310 0.5310 0.8002 0.8002 0.8375 0.8375 1.3333 1.3333 1.3940 1.3940 1.5707 1.5707 1.6220 1.6220 3.1326 3.1326 3.4452 3.4452 3.8432 3.8432 4.1726 4.1726 4.2433 4.2433 4.3597 4.3597 4.7423 4.7423 4.7799 4.7799 4.8985 4.8985 6.8627 6.8627 6.9609 6.9609 7.1992 7.1992 7.4931 7.4931 k = 0.0000 0.0000 0.7191 ( 6862 PWs) bands (ev): -65.3184 -65.3184 -63.5730 -63.5730 -63.5727 -63.5727 -38.1262 -38.1262 -36.4052 -36.4052 -36.4017 -36.4017 -29.4488 -29.4488 -29.2888 -29.2888 -27.7368 -27.7368 -27.7304 -27.7304 -27.6676 -27.6676 -27.6409 -27.6409 -13.6172 -13.6172 -12.1172 -12.1172 -12.0984 -12.0984 -8.1270 -8.1270 -7.5603 -7.5603 -7.4059 -7.4059 -2.6023 -2.6023 -1.0027 -1.0027 -1.0002 -1.0002 -0.0153 -0.0153 0.0486 0.0486 0.5311 0.5311 0.7741 0.7741 0.8105 0.8105 1.3342 1.3342 1.3966 1.3966 1.5529 1.5529 1.6037 1.6037 3.1260 3.1260 3.4417 3.4417 3.8328 3.8328 4.1764 4.1764 4.2449 4.2449 4.3636 4.3636 4.7625 4.7625 4.7962 4.7962 4.8997 4.8997 6.9257 6.9257 6.9707 6.9707 7.2516 7.2516 7.4936 7.4936 k = 0.0000 0.0000 0.7423 ( 6856 PWs) bands (ev): -65.3184 -65.3184 -63.5730 -63.5730 -63.5727 -63.5727 -38.1264 -38.1264 -36.4053 -36.4053 -36.4019 -36.4019 -29.4505 -29.4505 -29.2887 -29.2887 -27.7386 -27.7386 -27.7321 -27.7321 -27.6675 -27.6675 -27.6408 -27.6408 -13.5908 -13.5908 -12.0905 -12.0905 -12.0724 -12.0724 -8.1274 -8.1274 -7.5586 -7.5586 -7.4047 -7.4047 -2.6709 -2.6709 -1.0711 -1.0711 -1.0654 -1.0654 -0.0326 -0.0326 0.0307 0.0307 0.5309 0.5309 0.7511 0.7511 0.7866 0.7866 1.3350 1.3350 1.3995 1.3995 1.5366 1.5366 1.5874 1.5874 3.1203 3.1203 3.4387 3.4387 3.8232 3.8232 4.1803 4.1803 4.2463 4.2463 4.3671 4.3671 4.7804 4.7804 4.8105 4.8105 4.9003 4.9003 6.9773 6.9773 6.9829 6.9829 7.3012 7.3012 7.4941 7.4941 k = 0.0000 0.0000 0.7655 ( 6850 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1265 -38.1265 -36.4055 -36.4055 -36.4020 -36.4020 -29.4520 -29.4520 -29.2887 -29.2887 -27.7401 -27.7401 -27.7336 -27.7336 -27.6674 -27.6674 -27.6406 -27.6406 -13.5674 -13.5674 -12.0669 -12.0669 -12.0493 -12.0493 -8.1277 -8.1277 -7.5572 -7.5572 -7.4036 -7.4036 -2.7312 -2.7312 -1.1311 -1.1311 -1.1227 -1.1227 -0.0478 -0.0478 0.0150 0.0150 0.5306 0.5306 0.7315 0.7315 0.7658 0.7658 1.3359 1.3359 1.4026 1.4026 1.5216 1.5216 1.5730 1.5730 3.1154 3.1154 3.4362 3.4362 3.8145 3.8145 4.1840 4.1840 4.2475 4.2475 4.3701 4.3701 4.7962 4.7962 4.8226 4.8226 4.9005 4.9005 6.9819 6.9819 7.0336 7.0336 7.3463 7.3463 7.4946 7.4946 k = 0.0000 0.0000 0.7887 ( 6862 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1267 -38.1267 -36.4057 -36.4057 -36.4022 -36.4022 -29.4532 -29.4532 -29.2886 -29.2886 -27.7414 -27.7414 -27.7350 -27.7350 -27.6674 -27.6674 -27.6406 -27.6406 -13.5472 -13.5472 -12.0465 -12.0465 -12.0293 -12.0293 -8.1281 -8.1281 -7.5560 -7.5560 -7.4026 -7.4026 -2.7827 -2.7827 -1.1824 -1.1824 -1.1717 -1.1717 -0.0607 -0.0607 0.0017 0.0017 0.5301 0.5301 0.7150 0.7150 0.7481 0.7481 1.3367 1.3367 1.4060 1.4060 1.5082 1.5082 1.5607 1.5607 3.1114 3.1114 3.4341 3.4341 3.8070 3.8070 4.1874 4.1874 4.2485 4.2485 4.3726 4.3726 4.8100 4.8100 4.8328 4.8328 4.9001 4.9001 6.9852 6.9852 7.0774 7.0774 7.3858 7.3858 7.4950 7.4950 k = 0.0000 0.0000 0.8119 ( 6862 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1268 -38.1268 -36.4058 -36.4058 -36.4023 -36.4023 -29.4543 -29.4543 -29.2885 -29.2885 -27.7425 -27.7425 -27.7360 -27.7360 -27.6673 -27.6673 -27.6405 -27.6405 -13.5304 -13.5304 -12.0296 -12.0296 -12.0128 -12.0128 -8.1284 -8.1284 -7.5549 -7.5549 -7.4019 -7.4019 -2.8252 -2.8252 -1.2247 -1.2247 -1.2121 -1.2121 -0.0712 -0.0712 -0.0093 -0.0093 0.5295 0.5295 0.7017 0.7017 0.7336 0.7336 1.3375 1.3375 1.4095 1.4095 1.4964 1.4964 1.5505 1.5505 3.1082 3.1082 3.4325 3.4325 3.8007 3.8007 4.1904 4.1904 4.2494 4.2494 4.3747 4.3747 4.8216 4.8216 4.8410 4.8410 4.8993 4.8993 6.9876 6.9876 7.1139 7.1139 7.4189 7.4189 7.4954 7.4954 k = 0.0000 0.0000 0.8351 ( 6862 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1269 -38.1269 -36.4059 -36.4059 -36.4024 -36.4024 -29.4551 -29.4551 -29.2885 -29.2885 -27.7433 -27.7433 -27.7369 -27.7369 -27.6673 -27.6673 -27.6405 -27.6405 -13.5172 -13.5172 -12.0162 -12.0162 -11.9997 -11.9997 -8.1286 -8.1286 -7.5541 -7.5541 -7.4012 -7.4012 -2.8585 -2.8585 -1.2579 -1.2579 -1.2438 -1.2438 -0.0795 -0.0795 -0.0178 -0.0178 0.5289 0.5289 0.6915 0.6915 0.7223 0.7223 1.3381 1.3381 1.4129 1.4129 1.4864 1.4864 1.5425 1.5425 3.1057 3.1057 3.4312 3.4312 3.7957 3.7957 4.1927 4.1927 4.2501 4.2501 4.3763 4.3763 4.8311 4.8311 4.8474 4.8474 4.8982 4.8982 6.9893 6.9893 7.1427 7.1427 7.4452 7.4452 7.4957 7.4957 k = 0.0000 0.0000 0.8583 ( 6862 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4059 -36.4059 -36.4024 -36.4024 -29.4557 -29.4557 -29.2885 -29.2885 -27.7439 -27.7439 -27.7375 -27.7375 -27.6672 -27.6672 -27.6405 -27.6405 -13.5077 -13.5077 -12.0066 -12.0066 -11.9903 -11.9903 -8.1288 -8.1288 -7.5535 -7.5535 -7.4008 -7.4008 -2.8824 -2.8824 -1.2817 -1.2817 -1.2666 -1.2666 -0.0854 -0.0854 -0.0240 -0.0240 0.5284 0.5284 0.6842 0.6842 0.7142 0.7142 1.3385 1.3385 1.4161 1.4161 1.4786 1.4786 1.5367 1.5367 3.1040 3.1040 3.4304 3.4304 3.7921 3.7921 4.1945 4.1945 4.2506 4.2506 4.3775 4.3775 4.8383 4.8383 4.8519 4.8519 4.8971 4.8971 6.9905 6.9905 7.1635 7.1635 7.4642 7.4642 7.4960 7.4960 k = 0.0000 0.0000 0.8815 ( 6856 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4060 -36.4060 -36.4025 -36.4025 -29.4560 -29.4560 -29.2884 -29.2884 -27.7443 -27.7443 -27.7379 -27.7379 -27.6672 -27.6672 -27.6404 -27.6404 -13.5019 -13.5019 -12.0007 -12.0007 -11.9846 -11.9846 -8.1289 -8.1289 -7.5532 -7.5532 -7.4005 -7.4005 -2.8968 -2.8968 -1.2961 -1.2961 -1.2803 -1.2803 -0.0890 -0.0890 -0.0276 -0.0276 0.5280 0.5280 0.6800 0.6800 0.7094 0.7094 1.3388 1.3388 1.4184 1.4184 1.4735 1.4735 1.5333 1.5333 3.1030 3.1030 3.4298 3.4298 3.7900 3.7900 4.1956 4.1956 4.2509 4.2509 4.3781 4.3781 4.8428 4.8428 4.8545 4.8545 4.8962 4.8962 6.9912 6.9912 7.1761 7.1761 7.4757 7.4757 7.4961 7.4961 k = 0.0000 0.0000 0.9047 ( 6844 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4060 -36.4060 -36.4025 -36.4025 -29.4561 -29.4561 -29.2884 -29.2884 -27.7444 -27.7444 -27.7380 -27.7380 -27.6672 -27.6672 -27.6404 -27.6404 -13.5000 -13.5000 -11.9988 -11.9988 -11.9827 -11.9827 -8.1290 -8.1290 -7.5531 -7.5531 -7.4004 -7.4004 -2.9017 -2.9017 -1.3008 -1.3008 -1.2848 -1.2848 -0.0902 -0.0902 -0.0289 -0.0289 0.5279 0.5279 0.6786 0.6786 0.7077 0.7077 1.3389 1.3389 1.4193 1.4193 1.4717 1.4717 1.5321 1.5321 3.1026 3.1026 3.4297 3.4297 3.7892 3.7892 4.1959 4.1959 4.2510 4.2510 4.3784 4.3784 4.8443 4.8443 4.8555 4.8555 4.8958 4.8958 6.9914 6.9914 7.1803 7.1803 7.4796 7.4796 7.4962 7.4962 k = 0.0000 0.0000 0.9047 ( 6844 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4060 -36.4060 -36.4025 -36.4025 -29.4561 -29.4561 -29.2884 -29.2884 -27.7444 -27.7444 -27.7380 -27.7380 -27.6672 -27.6672 -27.6404 -27.6404 -13.5000 -13.5000 -11.9988 -11.9988 -11.9827 -11.9827 -8.1290 -8.1290 -7.5531 -7.5531 -7.4004 -7.4004 -2.9017 -2.9017 -1.3008 -1.3008 -1.2848 -1.2848 -0.0902 -0.0902 -0.0289 -0.0289 0.5279 0.5279 0.6786 0.6786 0.7077 0.7077 1.3389 1.3389 1.4193 1.4193 1.4717 1.4717 1.5321 1.5321 3.1026 3.1026 3.4297 3.4297 3.7892 3.7892 4.1959 4.1959 4.2510 4.2510 4.3784 4.3784 4.8443 4.8443 4.8555 4.8555 4.8958 4.8958 6.9914 6.9914 7.1803 7.1803 7.4796 7.4796 7.4962 7.4962 k = 0.0200 0.0115 0.9047 ( 6846 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4060 -36.4060 -36.4025 -36.4025 -29.4561 -29.4561 -29.2884 -29.2884 -27.7444 -27.7444 -27.7380 -27.7380 -27.6671 -27.6671 -27.6405 -27.6405 -13.5000 -13.5000 -11.9988 -11.9988 -11.9827 -11.9827 -8.1284 -8.1284 -7.5533 -7.5533 -7.4009 -7.4009 -2.9017 -2.9017 -1.3008 -1.3008 -1.2849 -1.2849 -0.0903 -0.0903 -0.0290 -0.0290 0.5289 0.5289 0.6791 0.6791 0.7081 0.7081 1.3391 1.3391 1.4194 1.4194 1.4712 1.4712 1.5315 1.5315 3.1000 3.1000 3.4262 3.4262 3.7907 3.7907 4.2010 4.2010 4.2372 4.2372 4.3888 4.3888 4.8440 4.8440 4.8551 4.8551 4.8992 4.8992 6.9945 6.9945 7.1804 7.1804 7.4797 7.4797 7.4990 7.4990 k = 0.0400 0.0231 0.9047 ( 6848 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4059 -36.4059 -36.4025 -36.4025 -29.4561 -29.4561 -29.2884 -29.2884 -27.7444 -27.7444 -27.7380 -27.7380 -27.6671 -27.6671 -27.6405 -27.6405 -13.5000 -13.5000 -11.9987 -11.9987 -11.9827 -11.9827 -8.1269 -8.1269 -7.5539 -7.5539 -7.4022 -7.4022 -2.9017 -2.9017 -1.3007 -1.3007 -1.2849 -1.2849 -0.0905 -0.0905 -0.0293 -0.0293 0.5319 0.5319 0.6805 0.6805 0.7092 0.7092 1.3396 1.3396 1.4199 1.4199 1.4696 1.4696 1.5297 1.5297 3.0921 3.0921 3.4163 3.4163 3.7951 3.7951 4.2041 4.2041 4.2158 4.2158 4.4119 4.4119 4.8429 4.8429 4.8542 4.8542 4.9091 4.9091 7.0038 7.0038 7.1806 7.1806 7.4800 7.4800 7.5074 7.5074 k = 0.0600 0.0346 0.9047 ( 6860 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4059 -36.4059 -36.4025 -36.4025 -29.4561 -29.4561 -29.2884 -29.2884 -27.7444 -27.7444 -27.7381 -27.7381 -27.6669 -27.6669 -27.6407 -27.6407 -13.5000 -13.5000 -11.9987 -11.9987 -11.9828 -11.9828 -8.1243 -8.1243 -7.5550 -7.5550 -7.4043 -7.4043 -2.9017 -2.9017 -1.3005 -1.3005 -1.2849 -1.2849 -0.0909 -0.0909 -0.0298 -0.0298 0.5369 0.5369 0.6829 0.6829 0.7111 0.7111 1.3402 1.3402 1.4208 1.4208 1.4667 1.4667 1.5271 1.5271 3.0788 3.0788 3.4008 3.4008 3.8023 3.8023 4.1619 4.1619 4.2393 4.2393 4.4383 4.4383 4.8407 4.8407 4.8531 4.8531 4.9250 4.9250 7.0191 7.0191 7.1809 7.1809 7.4805 7.4805 7.5214 7.5214 k = 0.0800 0.0462 0.9047 ( 6868 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4059 -36.4059 -36.4026 -36.4026 -29.4562 -29.4562 -29.2884 -29.2884 -27.7443 -27.7443 -27.7381 -27.7381 -27.6668 -27.6668 -27.6408 -27.6408 -13.5000 -13.5000 -11.9986 -11.9986 -11.9829 -11.9829 -8.1207 -8.1207 -7.5566 -7.5566 -7.4071 -7.4071 -2.9018 -2.9018 -1.3003 -1.3003 -1.2849 -1.2849 -0.0914 -0.0914 -0.0304 -0.0304 0.5438 0.5438 0.6860 0.6860 0.7139 0.7139 1.3406 1.3406 1.4224 1.4224 1.4626 1.4626 1.5240 1.5240 3.0600 3.0600 3.3810 3.3810 3.8124 3.8124 4.1151 4.1151 4.2703 4.2703 4.4645 4.4645 4.8372 4.8372 4.8520 4.8520 4.9463 4.9463 7.0399 7.0399 7.1813 7.1813 7.4812 7.4812 7.5412 7.5412 k = 0.1000 0.0577 0.9047 ( 6868 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4059 -36.4059 -36.4026 -36.4026 -29.4562 -29.4562 -29.2884 -29.2884 -27.7443 -27.7443 -27.7382 -27.7382 -27.6665 -27.6665 -27.6410 -27.6410 -13.5000 -13.5000 -11.9985 -11.9985 -11.9830 -11.9830 -8.1161 -8.1161 -7.5588 -7.5588 -7.4107 -7.4107 -2.9019 -2.9019 -1.3000 -1.3000 -1.2849 -1.2849 -0.0921 -0.0921 -0.0312 -0.0312 0.5525 0.5525 0.6897 0.6897 0.7178 0.7178 1.3406 1.3406 1.4246 1.4246 1.4572 1.4572 1.5209 1.5209 3.0356 3.0356 3.3582 3.3582 3.8252 3.8252 4.0657 4.0657 4.3071 4.3071 4.4901 4.4901 4.8322 4.8322 4.8511 4.8511 4.9719 4.9719 7.0659 7.0659 7.1819 7.1819 7.4821 7.4821 7.5666 7.5666 k = 0.1200 0.0693 0.9047 ( 6860 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4058 -36.4058 -36.4026 -36.4026 -29.4561 -29.4561 -29.2884 -29.2884 -27.7442 -27.7442 -27.7383 -27.7383 -27.6663 -27.6663 -27.6413 -27.6413 -13.5000 -13.5000 -11.9983 -11.9983 -11.9832 -11.9832 -8.1105 -8.1105 -7.5615 -7.5615 -7.4149 -7.4149 -2.9019 -2.9019 -1.2997 -1.2997 -1.2850 -1.2850 -0.0928 -0.0928 -0.0322 -0.0322 0.5628 0.5628 0.6939 0.6939 0.7228 0.7228 1.3399 1.3399 1.4261 1.4261 1.4521 1.4521 1.5181 1.5181 3.0056 3.0056 3.3336 3.3336 3.8406 3.8406 4.0150 4.0150 4.3479 4.3479 4.5155 4.5155 4.8256 4.8256 4.8504 4.8504 5.0009 5.0009 7.0965 7.0965 7.1827 7.1827 7.4832 7.4832 7.5978 7.5978 k = 0.1400 0.0808 0.9047 ( 6860 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4058 -36.4058 -36.4027 -36.4027 -29.4561 -29.4561 -29.2884 -29.2884 -27.7442 -27.7442 -27.7383 -27.7383 -27.6659 -27.6659 -27.6415 -27.6415 -13.5000 -13.5000 -11.9981 -11.9981 -11.9834 -11.9834 -8.1039 -8.1039 -7.5648 -7.5648 -7.4195 -7.4195 -2.9020 -2.9020 -1.2993 -1.2993 -1.2850 -1.2850 -0.0937 -0.0937 -0.0332 -0.0332 0.5745 0.5745 0.6983 0.6983 0.7290 0.7290 1.3384 1.3384 1.4233 1.4233 1.4511 1.4511 1.5158 1.5158 2.9703 2.9703 3.3079 3.3079 3.8582 3.8582 3.9639 3.9639 4.3903 4.3903 4.5424 4.5424 4.8177 4.8177 4.8499 4.8499 5.0324 5.0324 7.1308 7.1308 7.1835 7.1835 7.4846 7.4846 7.6347 7.6347 k = 0.1600 0.0924 0.9047 ( 6874 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4058 -36.4058 -36.4027 -36.4027 -29.4562 -29.4562 -29.2885 -29.2885 -27.7441 -27.7441 -27.7385 -27.7385 -27.6656 -27.6656 -27.6419 -27.6419 -13.5000 -13.5000 -11.9979 -11.9979 -11.9836 -11.9836 -8.0964 -8.0964 -7.5689 -7.5689 -7.4245 -7.4245 -2.9021 -2.9021 -1.2989 -1.2989 -1.2851 -1.2851 -0.0946 -0.0946 -0.0343 -0.0343 0.5874 0.5874 0.7030 0.7030 0.7364 0.7364 1.3362 1.3362 1.4140 1.4140 1.4566 1.4566 1.5140 1.5140 2.9302 2.9302 3.2817 3.2817 3.8769 3.8769 3.9143 3.9143 4.4314 4.4314 4.5730 4.5730 4.8085 4.8085 4.8494 4.8494 5.0656 5.0656 7.1682 7.1682 7.1844 7.1844 7.4863 7.4863 7.6774 7.6774 k = 0.1800 0.1039 0.9047 ( 6862 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4057 -36.4057 -36.4027 -36.4027 -29.4561 -29.4561 -29.2884 -29.2884 -27.7440 -27.7440 -27.7385 -27.7385 -27.6652 -27.6652 -27.6422 -27.6422 -13.5000 -13.5000 -11.9977 -11.9977 -11.9838 -11.9838 -8.0881 -8.0881 -7.5738 -7.5738 -7.4297 -7.4297 -2.9023 -2.9023 -1.2984 -1.2984 -1.2851 -1.2851 -0.0956 -0.0956 -0.0354 -0.0354 0.6011 0.6011 0.7082 0.7082 0.7450 0.7450 1.3336 1.3336 1.4008 1.4008 1.4661 1.4661 1.5128 1.5128 2.8858 2.8858 3.2549 3.2549 3.8604 3.8604 3.9027 3.9027 4.4681 4.4681 4.6099 4.6099 4.7980 4.7980 4.8490 4.8490 5.0998 5.0998 7.1854 7.1854 7.2078 7.2078 7.4883 7.4883 7.7258 7.7258 k = 0.2000 0.1155 0.9047 ( 6876 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4057 -36.4057 -36.4028 -36.4028 -29.4561 -29.4561 -29.2885 -29.2885 -27.7440 -27.7440 -27.7387 -27.7387 -27.6648 -27.6648 -27.6426 -27.6426 -13.4999 -13.4999 -11.9975 -11.9975 -11.9841 -11.9841 -8.0789 -8.0789 -7.5796 -7.5796 -7.4350 -7.4350 -2.9024 -2.9024 -1.2979 -1.2979 -1.2852 -1.2852 -0.0966 -0.0966 -0.0365 -0.0365 0.6152 0.6152 0.7141 0.7141 0.7544 0.7544 1.3308 1.3308 1.3855 1.3855 1.4782 1.4782 1.5120 1.5120 2.8379 2.8379 3.2278 3.2278 3.8132 3.8132 3.9253 3.9253 4.4982 4.4982 4.6546 4.6546 4.7864 4.7864 4.8487 4.8487 5.1344 5.1344 7.1865 7.1865 7.2487 7.2487 7.4907 7.4907 7.7799 7.7799 k = 0.2200 0.1270 0.9047 ( 6872 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4056 -36.4056 -36.4029 -36.4029 -29.4561 -29.4561 -29.2885 -29.2885 -27.7439 -27.7439 -27.7388 -27.7388 -27.6643 -27.6643 -27.6430 -27.6430 -13.4999 -13.4999 -11.9972 -11.9972 -11.9843 -11.9843 -8.0690 -8.0690 -7.5863 -7.5863 -7.4402 -7.4402 -2.9025 -2.9025 -1.2974 -1.2974 -1.2853 -1.2853 -0.0976 -0.0976 -0.0376 -0.0376 0.6290 0.6290 0.7210 0.7210 0.7645 0.7645 1.3281 1.3281 1.3688 1.3688 1.4921 1.4921 1.5116 1.5116 2.7872 2.7872 3.2000 3.2000 3.7672 3.7672 3.9503 3.9503 4.5222 4.5222 4.7062 4.7062 4.7738 4.7738 4.8483 4.8483 5.1691 5.1691 7.1878 7.1878 7.2901 7.2901 7.4938 7.4938 7.8395 7.8395 k = 0.2400 0.1386 0.9047 ( 6868 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4056 -36.4056 -36.4029 -36.4029 -29.4561 -29.4561 -29.2885 -29.2885 -27.7438 -27.7438 -27.7389 -27.7389 -27.6638 -27.6638 -27.6435 -27.6435 -13.4999 -13.4999 -11.9969 -11.9969 -11.9846 -11.9846 -8.0583 -8.0583 -7.5940 -7.5940 -7.4451 -7.4451 -2.9026 -2.9026 -1.2969 -1.2969 -1.2854 -1.2854 -0.0985 -0.0985 -0.0386 -0.0386 0.6421 0.6421 0.7294 0.7294 0.7752 0.7752 1.3258 1.3258 1.3515 1.3515 1.5072 1.5072 1.5115 1.5115 2.7346 2.7346 3.1717 3.1717 3.7238 3.7238 3.9765 3.9765 4.5416 4.5416 4.7554 4.7554 4.7672 4.7672 4.8480 4.8480 5.2034 5.2034 7.1890 7.1890 7.3309 7.3309 7.4980 7.4980 7.9042 7.9042 k = 0.2600 0.1501 0.9047 ( 6872 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4055 -36.4055 -36.4030 -36.4030 -29.4561 -29.4561 -29.2885 -29.2885 -27.7437 -27.7437 -27.7391 -27.7391 -27.6633 -27.6633 -27.6440 -27.6440 -13.4999 -13.4999 -11.9966 -11.9966 -11.9849 -11.9849 -8.0470 -8.0470 -7.6026 -7.6026 -7.4498 -7.4498 -2.9028 -2.9028 -1.2963 -1.2963 -1.2855 -1.2855 -0.0995 -0.0995 -0.0396 -0.0396 0.6537 0.6537 0.7395 0.7395 0.7862 0.7862 1.3232 1.3232 1.3349 1.3349 1.5113 1.5113 1.5237 1.5237 2.6809 2.6809 3.1426 3.1426 3.6834 3.6834 4.0037 4.0037 4.5577 4.5577 4.7441 4.7441 4.8228 4.8228 4.8477 4.8477 5.2372 5.2372 7.1903 7.1903 7.3697 7.3697 7.5038 7.5038 7.9737 7.9737 k = 0.2800 0.1617 0.9047 ( 6872 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4054 -36.4054 -36.4030 -36.4030 -29.4561 -29.4561 -29.2885 -29.2885 -27.7436 -27.7436 -27.7392 -27.7392 -27.6628 -27.6628 -27.6445 -27.6445 -13.4999 -13.4999 -11.9963 -11.9963 -11.9852 -11.9852 -8.0352 -8.0352 -7.6122 -7.6122 -7.4540 -7.4540 -2.9029 -2.9029 -1.2958 -1.2958 -1.2856 -1.2856 -0.1004 -0.1004 -0.0404 -0.0404 0.6636 0.6636 0.7513 0.7513 0.7974 0.7974 1.3126 1.3126 1.3275 1.3275 1.5115 1.5115 1.5405 1.5405 2.6268 2.6268 3.1129 3.1129 3.6464 3.6464 4.0316 4.0316 4.5714 4.5714 4.7285 4.7285 4.8473 4.8473 4.8828 4.8828 5.2703 5.2703 7.1917 7.1917 7.4045 7.4045 7.5129 7.5129 8.0475 8.0475 k = 0.3000 0.1732 0.9047 ( 6868 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4053 -36.4053 -36.4031 -36.4031 -29.4561 -29.4561 -29.2885 -29.2885 -27.7435 -27.7435 -27.7394 -27.7394 -27.6622 -27.6622 -27.6450 -27.6450 -13.4999 -13.4999 -11.9960 -11.9960 -11.9856 -11.9856 -8.0229 -8.0229 -7.6226 -7.6226 -7.4578 -7.4578 -2.9030 -2.9030 -1.2952 -1.2952 -1.2857 -1.2857 -0.1013 -0.1013 -0.0412 -0.0412 0.6716 0.6716 0.7645 0.7645 0.8085 0.8085 1.2957 1.2957 1.3280 1.3280 1.5117 1.5117 1.5578 1.5578 2.5730 2.5730 3.0829 3.0829 3.6130 3.6130 4.0598 4.0598 4.5835 4.5835 4.7119 4.7119 4.8470 4.8470 4.9421 4.9421 5.3026 5.3026 7.1931 7.1931 7.4327 7.4327 7.5273 7.5273 8.1248 8.1248 k = 0.3200 0.1848 0.9047 ( 6854 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4053 -36.4053 -36.4032 -36.4032 -29.4561 -29.4561 -29.2884 -29.2884 -27.7433 -27.7433 -27.7395 -27.7395 -27.6616 -27.6616 -27.6455 -27.6455 -13.4999 -13.4999 -11.9957 -11.9957 -11.9859 -11.9859 -8.0103 -8.0103 -7.6336 -7.6336 -7.4612 -7.4612 -2.9032 -2.9032 -1.2947 -1.2947 -1.2858 -1.2858 -0.1022 -0.1022 -0.0418 -0.0418 0.6779 0.6779 0.7786 0.7786 0.8194 0.8194 1.2785 1.2785 1.3310 1.3310 1.5120 1.5120 1.5750 1.5750 2.5203 2.5203 3.0529 3.0529 3.5832 3.5832 4.0880 4.0880 4.5941 4.5941 4.6947 4.6947 4.8467 4.8467 4.9995 4.9995 5.3340 5.3340 7.1944 7.1944 7.4522 7.4522 7.5487 7.5487 8.2050 8.2050 k = 0.3400 0.1963 0.9047 ( 6866 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4052 -36.4052 -36.4033 -36.4033 -29.4561 -29.4561 -29.2885 -29.2885 -27.7432 -27.7432 -27.7397 -27.7397 -27.6610 -27.6610 -27.6461 -27.6461 -13.4999 -13.4999 -11.9954 -11.9954 -11.9862 -11.9862 -7.9976 -7.9976 -7.6452 -7.6452 -7.4641 -7.4641 -2.9033 -2.9033 -1.2942 -1.2942 -1.2860 -1.2860 -0.1029 -0.1029 -0.0423 -0.0423 0.6829 0.6829 0.7930 0.7930 0.8298 0.8298 1.2619 1.2619 1.3357 1.3357 1.5123 1.5123 1.5917 1.5917 2.4695 2.4695 3.0234 3.0234 3.5570 3.5570 4.1159 4.1159 4.6033 4.6033 4.6770 4.6770 4.8464 4.8464 5.0536 5.0536 5.3644 5.3644 7.1958 7.1958 7.4642 7.4642 7.5754 7.5754 8.2871 8.2871 k = 0.3600 0.2078 0.9047 ( 6870 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4051 -36.4051 -36.4033 -36.4033 -29.4561 -29.4561 -29.2885 -29.2885 -27.7431 -27.7431 -27.7398 -27.7398 -27.6605 -27.6605 -27.6466 -27.6466 -13.4999 -13.4999 -11.9950 -11.9950 -11.9866 -11.9866 -7.9850 -7.9850 -7.6570 -7.6570 -7.4665 -7.4665 -2.9034 -2.9034 -1.2937 -1.2937 -1.2861 -1.2861 -0.1037 -0.1037 -0.0428 -0.0428 0.6869 0.6869 0.8069 0.8069 0.8394 0.8394 1.2464 1.2464 1.3422 1.3422 1.5127 1.5127 1.6075 1.6075 2.4215 2.4215 2.9951 2.9951 3.5345 3.5345 4.1431 4.1431 4.6114 4.6114 4.6591 4.6591 4.8462 4.8462 5.1032 5.1032 5.3936 5.3936 7.1971 7.1971 7.4714 7.4714 7.6040 7.6040 8.3700 8.3700 k = 0.3800 0.2194 0.9047 ( 6862 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5728 -63.5728 -38.1270 -38.1270 -36.4051 -36.4051 -36.4034 -36.4034 -29.4561 -29.4561 -29.2884 -29.2884 -27.7430 -27.7430 -27.7400 -27.7400 -27.6599 -27.6599 -27.6471 -27.6471 -13.4999 -13.4999 -11.9947 -11.9947 -11.9869 -11.9869 -7.9726 -7.9726 -7.6687 -7.6687 -7.4686 -7.4686 -2.9035 -2.9035 -1.2932 -1.2932 -1.2862 -1.2862 -0.1043 -0.1043 -0.0431 -0.0431 0.6901 0.6901 0.8199 0.8199 0.8481 0.8481 1.2321 1.2321 1.3501 1.3501 1.5130 1.5130 1.6221 1.6221 2.3770 2.3770 2.9685 2.9685 3.5153 3.5153 4.1692 4.1692 4.6183 4.6183 4.6416 4.6416 4.8460 4.8460 5.1472 5.1472 5.4215 5.4215 7.1983 7.1983 7.4761 7.4761 7.6320 7.6320 8.4524 8.4524 k = 0.4000 0.2309 0.9047 ( 6862 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4050 -36.4050 -36.4035 -36.4035 -29.4561 -29.4561 -29.2884 -29.2884 -27.7429 -27.7429 -27.7401 -27.7401 -27.6594 -27.6594 -27.6476 -27.6476 -13.4999 -13.4999 -11.9944 -11.9944 -11.9872 -11.9872 -7.9609 -7.9609 -7.6800 -7.6800 -7.4703 -7.4703 -2.9036 -2.9036 -1.2928 -1.2928 -1.2864 -1.2864 -0.1048 -0.1048 -0.0433 -0.0433 0.6925 0.6925 0.8318 0.8318 0.8554 0.8554 1.2194 1.2194 1.3590 1.3590 1.5133 1.5133 1.6351 1.6351 2.3371 2.3371 2.9445 2.9445 3.4995 3.4995 4.1936 4.1936 4.6213 4.6213 4.6273 4.6273 4.8458 4.8458 5.1850 5.1850 5.4475 5.4475 7.1995 7.1995 7.4793 7.4793 7.6577 7.6577 8.5325 8.5325 k = 0.4200 0.2425 0.9047 ( 6866 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5728 -63.5728 -38.1270 -38.1270 -36.4049 -36.4049 -36.4035 -36.4035 -29.4561 -29.4561 -29.2885 -29.2885 -27.7428 -27.7428 -27.7402 -27.7402 -27.6589 -27.6589 -27.6481 -27.6481 -13.4999 -13.4999 -11.9941 -11.9941 -11.9875 -11.9875 -7.9502 -7.9502 -7.6904 -7.6904 -7.4716 -7.4716 -2.9036 -2.9036 -1.2925 -1.2925 -1.2865 -1.2865 -0.1053 -0.1053 -0.0435 -0.0435 0.6945 0.6945 0.8423 0.8423 0.8613 0.8613 1.2086 1.2086 1.3682 1.3682 1.5136 1.5136 1.6459 1.6459 2.3026 2.3026 2.9236 2.9236 3.4867 3.4867 4.2156 4.2156 4.6075 4.6075 4.6299 4.6299 4.8456 4.8456 5.2158 5.2158 5.4709 5.4709 7.2005 7.2005 7.4815 7.4815 7.6800 7.6800 8.6077 8.6077 k = 0.4400 0.2540 0.9047 ( 6862 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5728 -63.5728 -38.1270 -38.1270 -36.4049 -36.4049 -36.4036 -36.4036 -29.4561 -29.4561 -29.2885 -29.2885 -27.7427 -27.7427 -27.7403 -27.7403 -27.6585 -27.6585 -27.6485 -27.6485 -13.4999 -13.4999 -11.9939 -11.9939 -11.9877 -11.9877 -7.9411 -7.9411 -7.6994 -7.6994 -7.4726 -7.4726 -2.9037 -2.9037 -1.2922 -1.2922 -1.2866 -1.2866 -0.1057 -0.1057 -0.0436 -0.0436 0.6959 0.6959 0.8511 0.8511 0.8655 0.8655 1.1998 1.1998 1.3767 1.3767 1.5138 1.5138 1.6545 1.6545 2.2746 2.2746 2.9066 2.9066 3.4770 3.4770 4.2344 4.2344 4.5936 4.5936 4.6335 4.6335 4.8455 4.8455 5.2396 5.2396 5.4907 5.4907 7.2013 7.2013 7.4831 7.4831 7.6982 7.6982 8.6738 8.6738 k = 0.4600 0.2656 0.9047 ( 6864 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5728 -63.5728 -38.1270 -38.1270 -36.4048 -36.4048 -36.4036 -36.4036 -29.4561 -29.4561 -29.2885 -29.2885 -27.7427 -27.7427 -27.7404 -27.7404 -27.6582 -27.6582 -27.6488 -27.6488 -13.4999 -13.4999 -11.9937 -11.9937 -11.9879 -11.9879 -7.9339 -7.9339 -7.7064 -7.7064 -7.4733 -7.4733 -2.9037 -2.9037 -1.2919 -1.2919 -1.2867 -1.2867 -0.1059 -0.1059 -0.0437 -0.0437 0.6969 0.6969 0.8582 0.8582 0.8679 0.8679 1.1934 1.1934 1.3838 1.3838 1.5140 1.5140 1.6606 1.6606 2.2539 2.2539 2.8940 2.8940 3.4701 3.4701 4.2489 4.2489 4.5825 4.5825 4.6362 4.6362 4.8454 4.8454 5.2565 5.2565 5.5057 5.5057 7.2020 7.2020 7.4842 7.4842 7.7116 7.7116 8.7239 8.7239 k = 0.4800 0.2771 0.9047 ( 6872 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5728 -63.5728 -38.1270 -38.1270 -36.4048 -36.4048 -36.4037 -36.4037 -29.4561 -29.4561 -29.2885 -29.2885 -27.7426 -27.7426 -27.7405 -27.7405 -27.6580 -27.6580 -27.6490 -27.6490 -13.4999 -13.4999 -11.9936 -11.9936 -11.9881 -11.9881 -7.9293 -7.9293 -7.7110 -7.7110 -7.4737 -7.4737 -2.9038 -2.9038 -1.2918 -1.2918 -1.2868 -1.2868 -0.1061 -0.1061 -0.0437 -0.0437 0.6975 0.6975 0.8635 0.8635 0.8684 0.8684 1.1894 1.1894 1.3885 1.3885 1.5141 1.5141 1.6642 1.6642 2.2411 2.2411 2.8863 2.8863 3.4660 3.4660 4.2582 4.2582 4.5752 4.5752 4.6378 4.6378 4.8454 4.8454 5.2665 5.2665 5.5152 5.5152 7.2023 7.2023 7.4848 7.4848 7.7198 7.7198 8.7512 8.7512 k = 0.5000 0.2887 0.9047 ( 6888 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5728 -63.5728 -38.1270 -38.1270 -36.4048 -36.4048 -36.4037 -36.4037 -29.4561 -29.4561 -29.2885 -29.2885 -27.7426 -27.7426 -27.7405 -27.7405 -27.6579 -27.6579 -27.6491 -27.6491 -13.4999 -13.4999 -11.9935 -11.9935 -11.9881 -11.9881 -7.9278 -7.9278 -7.7125 -7.7125 -7.4738 -7.4738 -2.9038 -2.9038 -1.2918 -1.2918 -1.2868 -1.2868 -0.1062 -0.1062 -0.0437 -0.0437 0.6977 0.6977 0.8663 0.8663 0.8675 0.8675 1.1881 1.1881 1.3901 1.3901 1.5142 1.5142 1.6654 1.6654 2.2368 2.2368 2.8836 2.8836 3.4646 3.4646 4.2614 4.2614 4.5727 4.5727 4.6383 4.6383 4.8453 4.8453 5.2698 5.2698 5.5184 5.5184 7.2025 7.2025 7.4850 7.4850 7.7226 7.7226 8.7587 8.7587 k = 0.5000 0.2887 0.9047 ( 6888 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5728 -63.5728 -38.1270 -38.1270 -36.4048 -36.4048 -36.4037 -36.4037 -29.4561 -29.4561 -29.2885 -29.2885 -27.7426 -27.7426 -27.7405 -27.7405 -27.6579 -27.6579 -27.6491 -27.6491 -13.4999 -13.4999 -11.9935 -11.9935 -11.9881 -11.9881 -7.9278 -7.9278 -7.7125 -7.7125 -7.4738 -7.4738 -2.9038 -2.9038 -1.2918 -1.2918 -1.2868 -1.2868 -0.1062 -0.1062 -0.0437 -0.0437 0.6977 0.6977 0.8663 0.8663 0.8675 0.8675 1.1881 1.1881 1.3901 1.3901 1.5142 1.5142 1.6654 1.6654 2.2368 2.2368 2.8836 2.8836 3.4646 3.4646 4.2614 4.2614 4.5727 4.5727 4.6383 4.6383 4.8453 4.8453 5.2698 5.2698 5.5184 5.5184 7.2025 7.2025 7.4850 7.4850 7.7226 7.7226 8.7587 8.7587 k = 0.4889 0.3079 0.9047 ( 6872 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5728 -63.5728 -38.1270 -38.1270 -36.4048 -36.4048 -36.4037 -36.4037 -29.4561 -29.4561 -29.2885 -29.2885 -27.7426 -27.7426 -27.7405 -27.7405 -27.6579 -27.6579 -27.6491 -27.6491 -13.4999 -13.4999 -11.9935 -11.9935 -11.9881 -11.9881 -7.9273 -7.9273 -7.7130 -7.7130 -7.4739 -7.4739 -2.9038 -2.9038 -1.2917 -1.2917 -1.2868 -1.2868 -0.1061 -0.1061 -0.0437 -0.0437 0.6970 0.6970 0.8639 0.8639 0.8726 0.8726 1.1873 1.1873 1.3879 1.3879 1.5144 1.5144 1.6671 1.6671 2.2346 2.2346 2.8855 2.8855 3.4625 3.4625 4.2623 4.2623 4.5720 4.5720 4.6407 4.6407 4.8453 4.8453 5.2695 5.2695 5.5176 5.5176 7.2025 7.2025 7.4850 7.4850 7.7275 7.7275 8.7590 8.7590 k = 0.4778 0.3272 0.9047 ( 6860 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4048 -36.4048 -36.4037 -36.4037 -29.4561 -29.4561 -29.2884 -29.2884 -27.7426 -27.7426 -27.7405 -27.7405 -27.6578 -27.6578 -27.6491 -27.6491 -13.4999 -13.4999 -11.9935 -11.9935 -11.9882 -11.9882 -7.9259 -7.9259 -7.7143 -7.7143 -7.4741 -7.4741 -2.9038 -2.9038 -1.2917 -1.2917 -1.2869 -1.2869 -0.1059 -0.1059 -0.0437 -0.0437 0.6948 0.6948 0.8639 0.8639 0.8806 0.8806 1.1849 1.1849 1.3814 1.3814 1.5149 1.5149 1.6722 1.6722 2.2279 2.2279 2.8910 2.8910 3.4561 3.4561 4.2647 4.2647 4.5700 4.5700 4.6477 4.6477 4.8452 4.8452 5.2685 5.2685 5.5150 5.5150 7.2026 7.2026 7.4851 7.4851 7.7421 7.7421 8.7599 8.7599 k = 0.4667 0.3464 0.9047 ( 6858 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5727 -63.5727 -38.1270 -38.1270 -36.4048 -36.4048 -36.4037 -36.4037 -29.4561 -29.4561 -29.2884 -29.2884 -27.7426 -27.7426 -27.7405 -27.7405 -27.6577 -27.6577 -27.6493 -27.6493 -13.4999 -13.4999 -11.9934 -11.9934 -11.9882 -11.9882 -7.9235 -7.9235 -7.7166 -7.7166 -7.4744 -7.4744 -2.9038 -2.9038 -1.2916 -1.2916 -1.2869 -1.2869 -0.1057 -0.1057 -0.0437 -0.0437 0.6913 0.6913 0.8668 0.8668 0.8907 0.8907 1.1810 1.1810 1.3711 1.3711 1.5157 1.5157 1.6799 1.6799 2.2174 2.2174 2.8998 2.8998 3.4457 3.4457 4.2688 4.2688 4.5667 4.5667 4.6591 4.6591 4.8451 4.8451 5.2671 5.2671 5.5108 5.5108 7.2027 7.2027 7.4852 7.4852 7.7661 7.7661 8.7612 8.7612 k = 0.4556 0.3657 0.9047 ( 6846 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5727 -63.5727 -38.1270 -38.1270 -36.4047 -36.4047 -36.4037 -36.4037 -29.4561 -29.4561 -29.2884 -29.2884 -27.7425 -27.7425 -27.7405 -27.7405 -27.6575 -27.6575 -27.6494 -27.6494 -13.4999 -13.4999 -11.9933 -11.9933 -11.9883 -11.9883 -7.9203 -7.9203 -7.7197 -7.7197 -7.4747 -7.4747 -2.9038 -2.9038 -1.2915 -1.2915 -1.2869 -1.2869 -0.1053 -0.1053 -0.0436 -0.0436 0.6869 0.6869 0.8726 0.8726 0.9026 0.9026 1.1756 1.1756 1.3577 1.3577 1.5167 1.5167 1.6897 1.6897 2.2036 2.2036 2.9115 2.9115 3.4314 3.4314 4.2745 4.2745 4.5621 4.5621 4.6745 4.6745 4.8449 4.8449 5.2654 5.2654 5.5051 5.5051 7.2030 7.2030 7.4853 7.4853 7.7992 7.7992 8.7626 8.7626 k = 0.4444 0.3849 0.9047 ( 6850 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5727 -63.5727 -38.1270 -38.1270 -36.4047 -36.4047 -36.4037 -36.4037 -29.4561 -29.4561 -29.2884 -29.2884 -27.7425 -27.7425 -27.7406 -27.7406 -27.6574 -27.6574 -27.6496 -27.6496 -13.4999 -13.4999 -11.9932 -11.9932 -11.9884 -11.9884 -7.9162 -7.9162 -7.7237 -7.7237 -7.4752 -7.4752 -2.9038 -2.9038 -1.2913 -1.2913 -1.2870 -1.2870 -0.1049 -0.1049 -0.0436 -0.0436 0.6818 0.6818 0.8811 0.8811 0.9161 0.9161 1.1689 1.1689 1.3417 1.3417 1.5180 1.5180 1.7007 1.7007 2.1873 2.1873 2.9255 2.9255 3.4136 3.4136 4.2818 4.2818 4.5562 4.5562 4.6934 4.6934 4.8446 4.8446 5.2638 5.2638 5.4978 5.4978 7.2032 7.2032 7.4854 7.4854 7.8408 7.8408 8.7636 8.7636 k = 0.4333 0.4041 0.9047 ( 6854 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4047 -36.4047 -36.4037 -36.4037 -29.4561 -29.4561 -29.2884 -29.2884 -27.7425 -27.7425 -27.7406 -27.7406 -27.6571 -27.6571 -27.6498 -27.6498 -13.4999 -13.4999 -11.9931 -11.9931 -11.9886 -11.9886 -7.9112 -7.9112 -7.7285 -7.7285 -7.4757 -7.4757 -2.9038 -2.9038 -1.2912 -1.2912 -1.2871 -1.2871 -0.1045 -0.1045 -0.0435 -0.0435 0.6764 0.6764 0.8919 0.8919 0.9311 0.9311 1.1609 1.1609 1.3238 1.3238 1.5193 1.5193 1.7124 1.7124 2.1694 2.1694 2.9413 2.9413 3.3927 3.3927 4.2906 4.2906 4.5490 4.5490 4.7150 4.7150 4.8444 4.8444 5.2625 5.2625 5.4891 5.4891 7.2035 7.2035 7.4856 7.4856 7.8901 7.8901 8.7636 8.7636 k = 0.4222 0.4234 0.9047 ( 6858 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4047 -36.4047 -36.4038 -36.4038 -29.4561 -29.4561 -29.2884 -29.2884 -27.7424 -27.7424 -27.7407 -27.7407 -27.6569 -27.6569 -27.6501 -27.6501 -13.4999 -13.4999 -11.9929 -11.9929 -11.9887 -11.9887 -7.9054 -7.9054 -7.7341 -7.7341 -7.4762 -7.4762 -2.9039 -2.9039 -1.2910 -1.2910 -1.2872 -1.2872 -0.1040 -0.1040 -0.0435 -0.0435 0.6710 0.6710 0.9046 0.9046 0.9475 0.9475 1.1518 1.1518 1.3044 1.3044 1.5208 1.5208 1.7241 1.7241 2.1508 2.1508 2.9584 2.9584 3.3691 3.3691 4.3008 4.3008 4.5405 4.5405 4.7384 4.7384 4.8441 4.8441 5.2622 5.2622 5.4792 5.4792 7.2038 7.2038 7.4858 7.4858 7.9466 7.9466 8.7619 8.7619 k = 0.4111 0.4426 0.9047 ( 6852 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4046 -36.4046 -36.4038 -36.4038 -29.4561 -29.4561 -29.2884 -29.2884 -27.7424 -27.7424 -27.7407 -27.7407 -27.6566 -27.6566 -27.6503 -27.6503 -13.4999 -13.4999 -11.9927 -11.9927 -11.9889 -11.9889 -7.8989 -7.8989 -7.7405 -7.7405 -7.4768 -7.4768 -2.9039 -2.9039 -1.2907 -1.2907 -1.2873 -1.2873 -0.1036 -0.1036 -0.0434 -0.0434 0.6657 0.6657 0.9186 0.9186 0.9654 0.9654 1.1417 1.1417 1.2839 1.2839 1.5222 1.5222 1.7352 1.7352 2.1322 2.1322 2.9765 2.9765 3.3436 3.3436 4.3125 4.3125 4.5307 4.5307 4.7626 4.7626 4.8438 4.8438 5.2633 5.2633 5.4679 5.4679 7.2041 7.2041 7.4860 7.4860 8.0093 8.0093 8.7574 8.7574 k = 0.4000 0.4619 0.9047 ( 6852 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4046 -36.4046 -36.4039 -36.4039 -29.4561 -29.4561 -29.2884 -29.2884 -27.7423 -27.7423 -27.7408 -27.7408 -27.6562 -27.6562 -27.6507 -27.6507 -13.4999 -13.4999 -11.9925 -11.9925 -11.9891 -11.9891 -7.8917 -7.8917 -7.7475 -7.7475 -7.4773 -7.4773 -2.9039 -2.9039 -1.2905 -1.2905 -1.2875 -1.2875 -0.1031 -0.1031 -0.0433 -0.0433 0.6609 0.6609 0.9335 0.9335 0.9847 0.9847 1.1309 1.1309 1.2625 1.2625 1.5235 1.5235 1.7455 1.7455 2.1145 2.1145 2.9951 2.9951 3.3167 3.3167 4.3255 4.3255 4.5196 4.5196 4.7864 4.7864 4.8436 4.8436 5.2666 5.2666 5.4555 5.4555 7.2044 7.2044 7.4862 7.4862 8.0772 8.0772 8.7486 8.7486 k = 0.3889 0.4811 0.9047 ( 6860 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4045 -36.4045 -36.4039 -36.4039 -29.4561 -29.4561 -29.2884 -29.2884 -27.7422 -27.7422 -27.7409 -27.7409 -27.6558 -27.6558 -27.6511 -27.6511 -13.4999 -13.4999 -11.9923 -11.9923 -11.9894 -11.9894 -7.8840 -7.8840 -7.7551 -7.7551 -7.4778 -7.4778 -2.9039 -2.9039 -1.2902 -1.2902 -1.2877 -1.2877 -0.1028 -0.1028 -0.0432 -0.0432 0.6566 0.6566 0.9488 0.9488 1.0054 1.0054 1.1195 1.1195 1.2403 1.2403 1.5247 1.5247 1.7544 1.7544 2.0982 2.0982 3.0139 3.0139 3.2893 3.2893 4.3397 4.3397 4.5072 4.5072 4.8085 4.8085 4.8433 4.8433 5.2726 5.2726 5.4418 5.4418 7.2047 7.2047 7.4863 7.4863 8.1493 8.1493 8.7338 8.7338 k = 0.3778 0.5004 0.9047 ( 6860 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4045 -36.4045 -36.4040 -36.4040 -29.4561 -29.4561 -29.2884 -29.2884 -27.7422 -27.7422 -27.7410 -27.7410 -27.6554 -27.6554 -27.6515 -27.6515 -13.4999 -13.4999 -11.9920 -11.9920 -11.9896 -11.9896 -7.8761 -7.8761 -7.7629 -7.7629 -7.4783 -7.4783 -2.9040 -2.9040 -1.2900 -1.2900 -1.2878 -1.2878 -0.1024 -0.1024 -0.0431 -0.0431 0.6531 0.6531 0.9637 0.9637 1.0274 1.0274 1.1079 1.1079 1.2178 1.2178 1.5257 1.5257 1.7618 1.7618 2.0841 2.0841 3.0324 3.0324 3.2623 3.2623 4.3551 4.3551 4.4934 4.4934 4.8278 4.8278 4.8431 4.8431 5.2819 5.2819 5.4271 5.4271 7.2050 7.2050 7.4865 7.4865 8.2243 8.2243 8.7111 8.7111 k = 0.3667 0.5196 0.9047 ( 6844 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4044 -36.4044 -36.4040 -36.4040 -29.4561 -29.4561 -29.2884 -29.2884 -27.7421 -27.7421 -27.7410 -27.7410 -27.6550 -27.6550 -27.6519 -27.6519 -13.4999 -13.4999 -11.9917 -11.9917 -11.9899 -11.9899 -7.8682 -7.8682 -7.7707 -7.7707 -7.4786 -7.4786 -2.9040 -2.9040 -1.2897 -1.2897 -1.2880 -1.2880 -0.1022 -0.1022 -0.0430 -0.0430 0.6503 0.6503 0.9780 0.9780 1.0499 1.0499 1.0969 1.0969 1.1948 1.1948 1.5265 1.5265 1.7676 1.7676 2.0726 2.0726 3.0501 3.0501 3.2370 3.2370 4.3715 4.3715 4.4785 4.4785 4.8424 4.8424 4.8437 4.8437 5.2944 5.2944 5.4113 5.4113 7.2053 7.2053 7.4867 7.4867 8.3005 8.3005 8.6790 8.6790 k = 0.3556 0.5389 0.9047 ( 6844 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4044 -36.4044 -36.4041 -36.4041 -29.4561 -29.4561 -29.2884 -29.2884 -27.7420 -27.7420 -27.7411 -27.7411 -27.6545 -27.6545 -27.6523 -27.6523 -13.4999 -13.4999 -11.9915 -11.9915 -11.9902 -11.9902 -7.8610 -7.8610 -7.7779 -7.7779 -7.4789 -7.4789 -2.9040 -2.9040 -1.2894 -1.2894 -1.2883 -1.2883 -0.1020 -0.1020 -0.0429 -0.0429 0.6483 0.6483 0.9906 0.9906 1.0699 1.0699 1.0899 1.0899 1.1717 1.1717 1.5271 1.5271 1.7716 1.7716 2.0640 2.0640 3.0656 3.0656 3.2152 3.2152 4.3888 4.3888 4.4623 4.4623 4.8427 4.8427 4.8543 4.8543 5.3099 5.3099 5.3945 5.3945 7.2055 7.2055 7.4868 7.4868 8.3756 8.3756 8.6376 8.6376 k = 0.3444 0.5581 0.9047 ( 6840 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4043 -36.4043 -36.4041 -36.4041 -29.4561 -29.4561 -29.2884 -29.2884 -27.7420 -27.7420 -27.7411 -27.7411 -27.6541 -27.6541 -27.6527 -27.6527 -13.4999 -13.4999 -11.9912 -11.9912 -11.9905 -11.9905 -7.8555 -7.8555 -7.7833 -7.7833 -7.4791 -7.4791 -2.9040 -2.9040 -1.2892 -1.2892 -1.2885 -1.2885 -0.1019 -0.1019 -0.0429 -0.0429 0.6471 0.6471 1.0001 1.0001 1.0723 1.0723 1.1030 1.1030 1.1484 1.1484 1.5275 1.5275 1.7739 1.7739 2.0587 2.0587 3.0769 3.0769 3.1997 3.1997 4.4069 4.4069 4.4449 4.4449 4.8427 4.8427 4.8607 4.8607 5.3266 5.3266 5.3779 5.3779 7.2057 7.2057 7.4869 7.4869 8.4451 8.4451 8.5897 8.5897 k = 0.3333 0.5774 0.9047 ( 6828 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4042 -36.4042 -36.4042 -36.4042 -29.4561 -29.4561 -29.2884 -29.2884 -27.7420 -27.7420 -27.7411 -27.7411 -27.6538 -27.6538 -27.6530 -27.6530 -13.4999 -13.4999 -11.9909 -11.9909 -11.9908 -11.9908 -7.8534 -7.8534 -7.7855 -7.7855 -7.4792 -7.4792 -2.9040 -2.9040 -1.2890 -1.2890 -1.2886 -1.2886 -0.1019 -0.1019 -0.0429 -0.0429 0.6467 0.6467 1.0038 1.0038 1.0699 1.0699 1.1248 1.1248 1.1259 1.1259 1.5276 1.5276 1.7747 1.7747 2.0568 2.0568 3.0811 3.0811 3.1940 3.1940 4.4234 4.4234 4.4287 4.4287 4.8427 4.8427 4.8628 4.8628 5.3370 5.3370 5.3679 5.3679 7.2057 7.2057 7.4869 7.4869 8.4862 8.4862 8.5564 8.5564 k = 0.3333 0.5774 0.9047 ( 6828 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4042 -36.4042 -36.4042 -36.4042 -29.4561 -29.4561 -29.2884 -29.2884 -27.7420 -27.7420 -27.7411 -27.7411 -27.6538 -27.6538 -27.6530 -27.6530 -13.4999 -13.4999 -11.9909 -11.9909 -11.9908 -11.9908 -7.8534 -7.8534 -7.7855 -7.7855 -7.4792 -7.4792 -2.9040 -2.9040 -1.2890 -1.2890 -1.2886 -1.2886 -0.1019 -0.1019 -0.0429 -0.0429 0.6467 0.6467 1.0038 1.0038 1.0699 1.0699 1.1248 1.1248 1.1259 1.1259 1.5276 1.5276 1.7747 1.7747 2.0568 2.0568 3.0811 3.0811 3.1940 3.1940 4.4234 4.4234 4.4287 4.4287 4.8427 4.8427 4.8628 4.8628 5.3370 5.3370 5.3679 5.3679 7.2057 7.2057 7.4869 7.4869 8.4862 8.4862 8.5564 8.5564 k = 0.3218 0.5574 0.9047 ( 6828 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4043 -36.4043 -36.4041 -36.4041 -29.4561 -29.4561 -29.2884 -29.2884 -27.7420 -27.7420 -27.7411 -27.7411 -27.6541 -27.6541 -27.6527 -27.6527 -13.4999 -13.4999 -11.9912 -11.9912 -11.9905 -11.9905 -7.8559 -7.8559 -7.7830 -7.7830 -7.4791 -7.4791 -2.9040 -2.9040 -1.2892 -1.2892 -1.2885 -1.2885 -0.1019 -0.1019 -0.0429 -0.0429 0.6471 0.6471 0.9997 0.9997 1.0725 1.0725 1.1027 1.1027 1.1487 1.1487 1.5275 1.5275 1.7738 1.7738 2.0589 2.0589 3.0772 3.0772 3.1997 3.1997 4.4053 4.4053 4.4464 4.4464 4.8427 4.8427 4.8608 4.8608 5.3250 5.3250 5.3790 5.3790 7.2057 7.2057 7.4869 7.4869 8.4451 8.4451 8.5879 8.5879 k = 0.3103 0.5375 0.9047 ( 6844 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4044 -36.4044 -36.4041 -36.4041 -29.4561 -29.4561 -29.2884 -29.2884 -27.7421 -27.7421 -27.7411 -27.7411 -27.6546 -27.6546 -27.6522 -27.6522 -13.4999 -13.4999 -11.9915 -11.9915 -11.9901 -11.9901 -7.8628 -7.8628 -7.7761 -7.7761 -7.4789 -7.4789 -2.9040 -2.9040 -1.2895 -1.2895 -1.2882 -1.2882 -0.1020 -0.1020 -0.0429 -0.0429 0.6482 0.6482 0.9893 0.9893 1.0695 1.0695 1.0913 1.0913 1.1708 1.1708 1.5271 1.5271 1.7713 1.7713 2.0656 2.0656 3.0683 3.0683 3.2145 3.2145 4.3837 4.3837 4.4671 4.4671 4.8428 4.8428 4.8552 4.8552 5.3029 5.3029 5.3975 5.3975 7.2055 7.2055 7.4868 7.4868 8.3785 8.3785 8.6230 8.6230 k = 0.2989 0.5176 0.9047 ( 6848 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4044 -36.4044 -36.4040 -36.4040 -29.4561 -29.4561 -29.2884 -29.2884 -27.7421 -27.7421 -27.7410 -27.7410 -27.6552 -27.6552 -27.6516 -27.6516 -13.4999 -13.4999 -11.9919 -11.9919 -11.9898 -11.9898 -7.8728 -7.8728 -7.7662 -7.7662 -7.4785 -7.4785 -2.9040 -2.9040 -1.2898 -1.2898 -1.2879 -1.2879 -0.1021 -0.1021 -0.0430 -0.0430 0.6500 0.6500 0.9752 0.9752 1.0490 1.0490 1.1006 1.1006 1.1910 1.1910 1.5265 1.5265 1.7666 1.7666 2.0773 2.0773 3.0585 3.0585 3.2346 3.2346 4.3608 4.3608 4.4882 4.4882 4.8429 4.8429 4.8468 4.8468 5.2776 5.2776 5.4150 5.4150 7.2051 7.2051 7.4865 7.4865 8.3068 8.3068 8.6390 8.6390 k = 0.2874 0.4977 0.9047 ( 6848 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4045 -36.4045 -36.4039 -36.4039 -29.4561 -29.4561 -29.2884 -29.2884 -27.7422 -27.7422 -27.7409 -27.7409 -27.6558 -27.6558 -27.6510 -27.6510 -13.4999 -13.4999 -11.9923 -11.9923 -11.9894 -11.9894 -7.8846 -7.8846 -7.7544 -7.7544 -7.4779 -7.4779 -2.9039 -2.9039 -1.2902 -1.2902 -1.2877 -1.2877 -0.1022 -0.1022 -0.0431 -0.0431 0.6522 0.6522 0.9591 0.9591 1.0259 1.0259 1.1144 1.1144 1.2092 1.2092 1.5258 1.5258 1.7597 1.7597 2.0948 2.0948 3.0503 3.0503 3.2580 3.2580 4.3369 4.3369 4.5096 4.5096 4.8358 4.8358 4.8431 4.8431 5.2500 5.2500 5.4293 5.4293 7.2046 7.2046 7.4861 7.4861 8.2333 8.2333 8.6345 8.6345 k = 0.2759 0.4778 0.9047 ( 6864 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4046 -36.4046 -36.4038 -36.4038 -29.4561 -29.4561 -29.2884 -29.2884 -27.7424 -27.7424 -27.7408 -27.7408 -27.6565 -27.6565 -27.6505 -27.6505 -13.4999 -13.4999 -11.9927 -11.9927 -11.9890 -11.9890 -7.8975 -7.8975 -7.7415 -7.7415 -7.4772 -7.4772 -2.9039 -2.9039 -1.2906 -1.2906 -1.2874 -1.2874 -0.1023 -0.1023 -0.0432 -0.0432 0.6549 0.6549 0.9417 0.9417 1.0028 1.0028 1.1296 1.1296 1.2251 1.2251 1.5248 1.5248 1.7500 1.7500 2.1183 2.1183 3.0447 3.0447 3.2836 3.2836 4.3120 4.3120 4.5311 4.5311 4.8230 4.8230 4.8433 4.8433 5.2201 5.2201 5.4394 5.4394 7.2040 7.2040 7.4855 7.4855 8.1591 8.1591 8.6119 8.6119 k = 0.2644 0.4579 0.9047 ( 6864 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4047 -36.4047 -36.4038 -36.4038 -29.4561 -29.4561 -29.2884 -29.2884 -27.7425 -27.7425 -27.7406 -27.7406 -27.6571 -27.6571 -27.6498 -27.6498 -13.4999 -13.4999 -11.9930 -11.9930 -11.9886 -11.9886 -7.9112 -7.9112 -7.7280 -7.7280 -7.4762 -7.4762 -2.9038 -2.9038 -1.2910 -1.2910 -1.2872 -1.2872 -0.1024 -0.1024 -0.0433 -0.0433 0.6577 0.6577 0.9233 0.9233 0.9800 0.9800 1.1456 1.1456 1.2387 1.2387 1.5238 1.5238 1.7375 1.7375 2.1481 2.1481 3.0424 3.0424 3.3111 3.3111 4.2861 4.2861 4.5526 4.5526 4.8086 4.8086 4.8436 4.8436 5.1880 5.1880 5.4444 5.4444 7.2032 7.2032 7.4847 7.4847 8.0852 8.0852 8.5749 8.5749 k = 0.2529 0.4380 0.9047 ( 6860 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4048 -36.4048 -36.4037 -36.4037 -29.4561 -29.4561 -29.2884 -29.2884 -27.7426 -27.7426 -27.7405 -27.7405 -27.6577 -27.6577 -27.6492 -27.6492 -13.4999 -13.4999 -11.9934 -11.9934 -11.9882 -11.9882 -7.9252 -7.9252 -7.7142 -7.7142 -7.4750 -7.4750 -2.9038 -2.9038 -1.2915 -1.2915 -1.2870 -1.2870 -0.1025 -0.1025 -0.0433 -0.0433 0.6606 0.6606 0.9040 0.9040 0.9579 0.9579 1.1623 1.1623 1.2504 1.2504 1.5226 1.5226 1.7224 1.7224 2.1839 2.1839 3.0435 3.0435 3.3401 3.3401 4.2594 4.2594 4.5740 4.5740 4.7930 4.7930 4.8439 4.8439 5.1536 5.1536 5.4442 5.4442 7.2022 7.2022 7.4837 7.4837 8.0121 8.0121 8.5273 8.5273 k = 0.2414 0.4181 0.9047 ( 6856 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4048 -36.4048 -36.4036 -36.4036 -29.4561 -29.4561 -29.2884 -29.2884 -27.7427 -27.7427 -27.7403 -27.7403 -27.6584 -27.6584 -27.6486 -27.6486 -13.4999 -13.4999 -11.9938 -11.9938 -11.9878 -11.9878 -7.9395 -7.9395 -7.7001 -7.7001 -7.4736 -7.4736 -2.9037 -2.9037 -1.2920 -1.2920 -1.2867 -1.2867 -0.1025 -0.1025 -0.0433 -0.0433 0.6634 0.6634 0.8841 0.8841 0.9366 0.9366 1.1794 1.1794 1.2604 1.2604 1.5214 1.5214 1.7048 1.7048 2.2252 2.2252 3.0478 3.0478 3.3707 3.3707 4.2319 4.2319 4.5951 4.5951 4.7764 4.7764 4.8442 4.8442 5.1169 5.1169 5.4384 5.4384 7.2011 7.2011 7.4824 7.4824 7.9404 7.9404 8.4721 8.4721 k = 0.2299 0.3982 0.9047 ( 6856 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4049 -36.4049 -36.4035 -36.4035 -29.4561 -29.4561 -29.2884 -29.2884 -27.7428 -27.7428 -27.7402 -27.7402 -27.6590 -27.6590 -27.6480 -27.6480 -13.4999 -13.4999 -11.9942 -11.9942 -11.9874 -11.9874 -7.9538 -7.9538 -7.6862 -7.6862 -7.4719 -7.4719 -2.9036 -2.9036 -1.2925 -1.2925 -1.2865 -1.2865 -0.1024 -0.1024 -0.0432 -0.0432 0.6659 0.6659 0.8636 0.8636 0.9161 0.9161 1.1971 1.1971 1.2690 1.2690 1.5202 1.5202 1.6852 1.6852 2.2715 2.2715 3.0552 3.0552 3.4028 3.4028 4.2038 4.2038 4.6159 4.6159 4.7591 4.7591 4.8446 4.8446 5.0778 5.0778 5.4273 5.4273 7.1999 7.1999 7.4806 7.4806 7.8705 7.8705 8.4117 8.4117 k = 0.2184 0.3783 0.9047 ( 6856 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4050 -36.4050 -36.4034 -36.4034 -29.4561 -29.4561 -29.2884 -29.2884 -27.7430 -27.7430 -27.7400 -27.7400 -27.6597 -27.6597 -27.6473 -27.6473 -13.4999 -13.4999 -11.9946 -11.9946 -11.9870 -11.9870 -7.9681 -7.9681 -7.6725 -7.6725 -7.4699 -7.4699 -2.9035 -2.9035 -1.2930 -1.2930 -1.2863 -1.2863 -0.1022 -0.1022 -0.0430 -0.0430 0.6678 0.6678 0.8428 0.8428 0.8965 0.8965 1.2152 1.2152 1.2766 1.2766 1.5189 1.5189 1.6641 1.6641 2.3219 2.3219 3.0654 3.0654 3.4364 3.4364 4.1753 4.1753 4.6362 4.6362 4.7411 4.7411 4.8449 4.8449 5.0363 5.0363 5.4113 5.4113 7.1986 7.1986 7.4783 7.4783 7.8027 7.8027 8.3477 8.3477 k = 0.2069 0.3584 0.9047 ( 6856 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4051 -36.4051 -36.4033 -36.4033 -29.4561 -29.4561 -29.2884 -29.2884 -27.7431 -27.7431 -27.7398 -27.7398 -27.6603 -27.6603 -27.6467 -27.6467 -13.4999 -13.4999 -11.9949 -11.9949 -11.9867 -11.9867 -7.9822 -7.9822 -7.6591 -7.6591 -7.4675 -7.4675 -2.9034 -2.9034 -1.2935 -1.2935 -1.2862 -1.2862 -0.1019 -0.1019 -0.0427 -0.0427 0.6691 0.6691 0.8220 0.8220 0.8777 0.8777 1.2336 1.2336 1.2835 1.2835 1.5177 1.5177 1.6421 1.6421 2.3757 2.3757 3.0781 3.0781 3.4716 3.4716 4.1464 4.1464 4.6557 4.6557 4.7227 4.7227 4.8453 4.8453 4.9926 4.9926 5.3908 5.3908 7.1973 7.1973 7.4752 7.4752 7.7376 7.7376 8.2814 8.2814 k = 0.1954 0.3384 0.9047 ( 6868 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4052 -36.4052 -36.4033 -36.4033 -29.4561 -29.4561 -29.2885 -29.2885 -27.7432 -27.7432 -27.7397 -27.7397 -27.6610 -27.6610 -27.6462 -27.6462 -13.4999 -13.4999 -11.9953 -11.9953 -11.9863 -11.9863 -7.9961 -7.9961 -7.6462 -7.6462 -7.4648 -7.4648 -2.9033 -2.9033 -1.2941 -1.2941 -1.2860 -1.2860 -0.1015 -0.1015 -0.0423 -0.0423 0.6693 0.6693 0.8015 0.8015 0.8598 0.8598 1.2522 1.2522 1.2900 1.2900 1.5165 1.5165 1.6196 1.6196 2.4321 2.4321 3.0930 3.0930 3.5085 3.5085 4.1173 4.1173 4.6735 4.6735 4.7048 4.7048 4.8457 4.8457 4.9468 4.9468 5.3664 5.3664 7.1959 7.1959 7.4706 7.4706 7.6759 7.6759 8.2138 8.2138 k = 0.1839 0.3185 0.9047 ( 6874 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4053 -36.4053 -36.4032 -36.4032 -29.4561 -29.4561 -29.2885 -29.2885 -27.7434 -27.7434 -27.7395 -27.7395 -27.6616 -27.6616 -27.6456 -27.6456 -13.4999 -13.4999 -11.9957 -11.9957 -11.9859 -11.9859 -8.0096 -8.0096 -7.6340 -7.6340 -7.4617 -7.4617 -2.9032 -2.9032 -1.2946 -1.2946 -1.2859 -1.2859 -0.1011 -0.1011 -0.0418 -0.0418 0.6682 0.6682 0.7820 0.7820 0.8427 0.8427 1.2708 1.2708 1.2967 1.2967 1.5154 1.5154 1.5970 1.5970 2.4902 2.4902 3.1097 3.1097 3.5469 3.5469 4.0881 4.0881 4.6780 4.6780 4.6989 4.6989 4.8460 4.8460 4.8990 4.8990 5.3388 5.3388 7.1945 7.1945 7.4633 7.4633 7.6190 7.6190 8.1458 8.1458 k = 0.1724 0.2986 0.9047 ( 6862 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4053 -36.4053 -36.4031 -36.4031 -29.4561 -29.4561 -29.2884 -29.2884 -27.7435 -27.7435 -27.7394 -27.7394 -27.6622 -27.6622 -27.6450 -27.6450 -13.4999 -13.4999 -11.9960 -11.9960 -11.9856 -11.9856 -8.0227 -8.0227 -7.6225 -7.6225 -7.4581 -7.4581 -2.9030 -2.9030 -1.2952 -1.2952 -1.2857 -1.2857 -0.1005 -0.1005 -0.0411 -0.0411 0.6652 0.6652 0.7639 0.7639 0.8263 0.8263 1.2882 1.2882 1.3044 1.3044 1.5145 1.5145 1.5748 1.5748 2.5494 2.5494 3.1281 3.1281 3.5871 3.5871 4.0591 4.0591 4.6606 4.6606 4.7137 4.7137 4.8454 4.8454 4.8508 4.8508 5.3085 5.3085 7.1931 7.1931 7.4502 7.4502 7.5701 7.5701 8.0783 8.0783 k = 0.1609 0.2787 0.9047 ( 6860 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4054 -36.4054 -36.4030 -36.4030 -29.4561 -29.4561 -29.2884 -29.2884 -27.7436 -27.7436 -27.7392 -27.7392 -27.6627 -27.6627 -27.6445 -27.6445 -13.4999 -13.4999 -11.9963 -11.9963 -11.9852 -11.9852 -8.0352 -8.0352 -7.6120 -7.6120 -7.4542 -7.4542 -2.9029 -2.9029 -1.2957 -1.2957 -1.2856 -1.2856 -0.0998 -0.0998 -0.0404 -0.0404 0.6600 0.6600 0.7480 0.7480 0.8108 0.8108 1.3014 1.3014 1.3164 1.3164 1.5136 1.5136 1.5534 1.5534 2.6089 2.6089 3.1477 3.1477 3.6290 3.6290 4.0305 4.0305 4.6398 4.6398 4.7300 4.7300 4.7996 4.7996 4.8470 4.8470 5.2762 5.2762 7.1917 7.1917 7.4263 7.4263 7.5343 7.5343 8.0118 8.0118 k = 0.1494 0.2588 0.9047 ( 6868 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4055 -36.4055 -36.4030 -36.4030 -29.4561 -29.4561 -29.2885 -29.2885 -27.7437 -27.7437 -27.7391 -27.7391 -27.6633 -27.6633 -27.6440 -27.6440 -13.4999 -13.4999 -11.9967 -11.9967 -11.9849 -11.9849 -8.0473 -8.0473 -7.6023 -7.6023 -7.4498 -7.4498 -2.9028 -2.9028 -1.2963 -1.2963 -1.2855 -1.2855 -0.0991 -0.0991 -0.0395 -0.0395 0.6520 0.6520 0.7349 0.7349 0.7960 0.7960 1.3094 1.3094 1.3331 1.3331 1.5130 1.5130 1.5330 1.5330 2.6678 2.6678 3.1686 3.1686 3.6726 3.6726 4.0024 4.0024 4.6173 4.6173 4.7456 4.7456 4.7496 4.7496 4.8474 4.8474 5.2422 5.2422 7.1903 7.1903 7.3898 7.3898 7.5135 7.5135 7.9473 7.9473 k = 0.1379 0.2389 0.9047 ( 6880 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4056 -36.4056 -36.4029 -36.4029 -29.4561 -29.4561 -29.2885 -29.2885 -27.7438 -27.7438 -27.7389 -27.7389 -27.6639 -27.6639 -27.6435 -27.6435 -13.4999 -13.4999 -11.9969 -11.9969 -11.9846 -11.9846 -8.0586 -8.0586 -7.5937 -7.5937 -7.4451 -7.4451 -2.9026 -2.9026 -1.2969 -1.2969 -1.2854 -1.2854 -0.0982 -0.0982 -0.0386 -0.0386 0.6414 0.6414 0.7247 0.7247 0.7822 0.7822 1.3157 1.3157 1.3511 1.3511 1.5124 1.5124 1.5142 1.5142 2.7256 2.7256 3.1903 3.1903 3.7179 3.7179 3.9751 3.9751 4.5922 4.5922 4.7012 4.7012 4.7604 4.7604 4.8478 4.8478 5.2073 5.2073 7.1890 7.1890 7.3459 7.3459 7.5024 7.5024 7.8852 7.8852 k = 0.1264 0.2190 0.9047 ( 6880 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4056 -36.4056 -36.4029 -36.4029 -29.4561 -29.4561 -29.2885 -29.2885 -27.7439 -27.7439 -27.7388 -27.7388 -27.6644 -27.6644 -27.6431 -27.6431 -13.4999 -13.4999 -11.9972 -11.9972 -11.9843 -11.9843 -8.0693 -8.0693 -7.5860 -7.5860 -7.4400 -7.4400 -2.9025 -2.9025 -1.2974 -1.2974 -1.2853 -1.2853 -0.0973 -0.0973 -0.0375 -0.0375 0.6287 0.6287 0.7170 0.7170 0.7693 0.7693 1.3214 1.3214 1.3688 1.3688 1.4965 1.4965 1.5125 1.5125 2.7814 2.7814 3.2129 3.2129 3.7648 3.7648 3.9489 3.9489 4.5626 4.5626 4.6568 4.6568 4.7742 4.7742 4.8482 4.8482 5.1717 5.1717 7.1877 7.1877 7.2998 7.2998 7.4960 7.4960 7.8263 7.8263 k = 0.1149 0.1991 0.9047 ( 6876 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4057 -36.4057 -36.4028 -36.4028 -29.4561 -29.4561 -29.2885 -29.2885 -27.7440 -27.7440 -27.7387 -27.7387 -27.6648 -27.6648 -27.6426 -27.6426 -13.4999 -13.4999 -11.9975 -11.9975 -11.9840 -11.9840 -8.0793 -8.0793 -7.5793 -7.5793 -7.4348 -7.4348 -2.9024 -2.9024 -1.2979 -1.2979 -1.2852 -1.2852 -0.0964 -0.0964 -0.0365 -0.0365 0.6149 0.6149 0.7110 0.7110 0.7575 0.7575 1.3265 1.3265 1.3857 1.3857 1.4809 1.4809 1.5126 1.5126 2.8346 2.8346 3.2363 3.2363 3.8130 3.8130 3.9240 3.9240 4.5267 4.5267 4.6188 4.6188 4.7869 4.7869 4.8486 4.8486 5.1359 5.1359 7.1865 7.1865 7.2543 7.2543 7.4919 7.4919 7.7711 7.7711 k = 0.1034 0.1792 0.9047 ( 6868 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4057 -36.4057 -36.4028 -36.4028 -29.4561 -29.4561 -29.2885 -29.2885 -27.7441 -27.7441 -27.7385 -27.7385 -27.6652 -27.6652 -27.6422 -27.6422 -13.5000 -13.5000 -11.9977 -11.9977 -11.9838 -11.9838 -8.0884 -8.0884 -7.5736 -7.5736 -7.4296 -7.4296 -2.9023 -2.9023 -1.2984 -1.2984 -1.2851 -1.2851 -0.0955 -0.0955 -0.0353 -0.0353 0.6008 0.6008 0.7060 0.7060 0.7468 0.7468 1.3311 1.3311 1.4012 1.4012 1.4676 1.4676 1.5132 1.5132 2.8843 2.8843 3.2604 3.2604 3.8619 3.8619 3.9012 3.9012 4.4847 4.4847 4.5876 4.5876 4.7985 4.7985 4.8490 4.8490 5.1004 5.1004 7.1854 7.1854 7.2104 7.2104 7.4889 7.4889 7.7201 7.7201 k = 0.0920 0.1593 0.9047 ( 6868 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4058 -36.4058 -36.4027 -36.4027 -29.4561 -29.4561 -29.2885 -29.2885 -27.7441 -27.7441 -27.7384 -27.7384 -27.6656 -27.6656 -27.6419 -27.6419 -13.5000 -13.5000 -11.9979 -11.9979 -11.9836 -11.9836 -8.0967 -8.0967 -7.5688 -7.5688 -7.4244 -7.4244 -2.9021 -2.9021 -1.2989 -1.2989 -1.2851 -1.2851 -0.0946 -0.0946 -0.0342 -0.0342 0.5871 0.5871 0.7017 0.7017 0.7375 0.7375 1.3348 1.3348 1.4145 1.4145 1.4573 1.4573 1.5143 1.5143 2.9298 2.9298 3.2850 3.2850 3.8768 3.8768 3.9149 3.9149 4.4392 4.4392 4.5609 4.5609 4.8089 4.8089 4.8494 4.8494 5.0656 5.0656 7.1690 7.1690 7.1844 7.1844 7.4866 7.4866 7.6738 7.6738 k = 0.0805 0.1394 0.9047 ( 6868 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4058 -36.4058 -36.4027 -36.4027 -29.4562 -29.4562 -29.2885 -29.2885 -27.7442 -27.7442 -27.7383 -27.7383 -27.6660 -27.6660 -27.6416 -27.6416 -13.5000 -13.5000 -11.9981 -11.9981 -11.9834 -11.9834 -8.1041 -8.1041 -7.5647 -7.5647 -7.4194 -7.4194 -2.9020 -2.9020 -1.2993 -1.2993 -1.2850 -1.2850 -0.0937 -0.0937 -0.0331 -0.0331 0.5742 0.5742 0.6975 0.6975 0.7295 0.7295 1.3377 1.3377 1.4237 1.4237 1.4514 1.4514 1.5159 1.5159 2.9706 2.9706 3.3099 3.3099 3.8577 3.8577 3.9653 3.9653 4.3930 4.3930 4.5365 4.5365 4.8180 4.8180 4.8499 4.8499 5.0320 5.0320 7.1307 7.1307 7.1835 7.1835 7.4847 7.4847 7.6325 7.6325 k = 0.0690 0.1195 0.9047 ( 6868 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4059 -36.4059 -36.4026 -36.4026 -29.4562 -29.4562 -29.2884 -29.2884 -27.7443 -27.7443 -27.7383 -27.7383 -27.6663 -27.6663 -27.6413 -27.6413 -13.5000 -13.5000 -11.9983 -11.9983 -11.9832 -11.9832 -8.1106 -8.1106 -7.5614 -7.5614 -7.4148 -7.4148 -2.9019 -2.9019 -1.2997 -1.2997 -1.2850 -1.2850 -0.0928 -0.0928 -0.0321 -0.0321 0.5625 0.5625 0.6935 0.6935 0.7229 0.7229 1.3396 1.3396 1.4263 1.4263 1.4522 1.4522 1.5182 1.5182 3.0061 3.0061 3.3348 3.3348 3.8402 3.8402 4.0163 4.0163 4.3483 4.3483 4.5128 4.5128 4.8258 4.8258 4.8504 4.8504 5.0004 5.0004 7.0960 7.0960 7.1826 7.1826 7.4833 7.4833 7.5964 7.5964 k = 0.0575 0.0995 0.9047 ( 6860 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4059 -36.4059 -36.4026 -36.4026 -29.4561 -29.4561 -29.2884 -29.2884 -27.7443 -27.7443 -27.7382 -27.7382 -27.6665 -27.6665 -27.6410 -27.6410 -13.5000 -13.5000 -11.9985 -11.9985 -11.9830 -11.9830 -8.1162 -8.1162 -7.5587 -7.5587 -7.4106 -7.4106 -2.9018 -2.9018 -1.3000 -1.3000 -1.2849 -1.2849 -0.0921 -0.0921 -0.0312 -0.0312 0.5523 0.5523 0.6896 0.6896 0.7178 0.7178 1.3405 1.3405 1.4246 1.4246 1.4574 1.4574 1.5210 1.5210 3.0361 3.0361 3.3589 3.3589 3.8249 3.8249 4.0669 4.0669 4.3068 4.3068 4.4888 4.4888 4.8323 4.8323 4.8511 4.8511 4.9714 4.9714 7.0655 7.0655 7.1819 7.1819 7.4821 7.4821 7.5658 7.5658 k = 0.0460 0.0796 0.9047 ( 6852 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4059 -36.4059 -36.4026 -36.4026 -29.4561 -29.4561 -29.2884 -29.2884 -27.7443 -27.7443 -27.7381 -27.7381 -27.6667 -27.6667 -27.6408 -27.6408 -13.5000 -13.5000 -11.9986 -11.9986 -11.9829 -11.9829 -8.1208 -8.1208 -7.5566 -7.5566 -7.4071 -7.4071 -2.9018 -2.9018 -1.3003 -1.3003 -1.2849 -1.2849 -0.0914 -0.0914 -0.0304 -0.0304 0.5437 0.5437 0.6860 0.6860 0.7139 0.7139 1.3406 1.3406 1.4224 1.4224 1.4627 1.4627 1.5241 1.5241 3.0604 3.0604 3.3814 3.3814 3.8122 3.8122 4.1160 4.1160 4.2699 4.2699 4.4639 4.4639 4.8373 4.8373 4.8520 4.8520 4.9459 4.9459 7.0396 7.0396 7.1814 7.1814 7.4812 7.4812 7.5407 7.5407 k = 0.0345 0.0597 0.9047 ( 6856 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4059 -36.4059 -36.4025 -36.4025 -29.4561 -29.4561 -29.2884 -29.2884 -27.7444 -27.7444 -27.7381 -27.7381 -27.6669 -27.6669 -27.6407 -27.6407 -13.5000 -13.5000 -11.9987 -11.9987 -11.9828 -11.9828 -8.1243 -8.1243 -7.5550 -7.5550 -7.4042 -7.4042 -2.9017 -2.9017 -1.3005 -1.3005 -1.2849 -1.2849 -0.0909 -0.0909 -0.0298 -0.0298 0.5368 0.5368 0.6829 0.6829 0.7111 0.7111 1.3402 1.3402 1.4208 1.4208 1.4668 1.4668 1.5272 1.5272 3.0790 3.0790 3.4010 3.4010 3.8022 3.8022 4.1626 4.1626 4.2390 4.2390 4.4379 4.4379 4.8408 4.8408 4.8531 4.8531 4.9248 4.9248 7.0188 7.0188 7.1809 7.1809 7.4805 7.4805 7.5212 7.5212 k = 0.0230 0.0398 0.9047 ( 6852 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4059 -36.4059 -36.4025 -36.4025 -29.4561 -29.4561 -29.2884 -29.2884 -27.7444 -27.7444 -27.7380 -27.7380 -27.6671 -27.6671 -27.6405 -27.6405 -13.5000 -13.5000 -11.9987 -11.9987 -11.9827 -11.9827 -8.1269 -8.1269 -7.5539 -7.5539 -7.4021 -7.4021 -2.9017 -2.9017 -1.3007 -1.3007 -1.2849 -1.2849 -0.0905 -0.0905 -0.0293 -0.0293 0.5319 0.5319 0.6805 0.6805 0.7092 0.7092 1.3396 1.3396 1.4198 1.4198 1.4696 1.4696 1.5298 1.5298 3.0922 3.0922 3.4164 3.4164 3.7950 3.7950 4.2044 4.2044 4.2156 4.2156 4.4117 4.4117 4.8429 4.8429 4.8542 4.8542 4.9090 4.9090 7.0037 7.0037 7.1806 7.1806 7.4800 7.4800 7.5073 7.5073 k = 0.0115 0.0199 0.9047 ( 6848 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4060 -36.4060 -36.4025 -36.4025 -29.4561 -29.4561 -29.2884 -29.2884 -27.7444 -27.7444 -27.7380 -27.7380 -27.6672 -27.6672 -27.6405 -27.6405 -13.5000 -13.5000 -11.9988 -11.9988 -11.9827 -11.9827 -8.1285 -8.1285 -7.5533 -7.5533 -7.4009 -7.4009 -2.9017 -2.9017 -1.3008 -1.3008 -1.2849 -1.2849 -0.0903 -0.0903 -0.0290 -0.0290 0.5289 0.5289 0.6791 0.6791 0.7081 0.7081 1.3391 1.3391 1.4194 1.4194 1.4712 1.4712 1.5315 1.5315 3.1000 3.1000 3.4263 3.4263 3.7907 3.7907 4.2009 4.2009 4.2373 4.2373 4.3887 4.3887 4.8440 4.8440 4.8551 4.8551 4.8992 4.8992 6.9945 6.9945 7.1804 7.1804 7.4797 7.4797 7.4989 7.4989 k = 0.0000 0.0000 0.9047 ( 6844 PWs) bands (ev): -65.3183 -65.3183 -63.5729 -63.5729 -63.5727 -63.5727 -38.1270 -38.1270 -36.4060 -36.4060 -36.4025 -36.4025 -29.4561 -29.4561 -29.2884 -29.2884 -27.7444 -27.7444 -27.7380 -27.7380 -27.6672 -27.6672 -27.6404 -27.6404 -13.5000 -13.5000 -11.9988 -11.9988 -11.9827 -11.9827 -8.1290 -8.1290 -7.5531 -7.5531 -7.4004 -7.4004 -2.9017 -2.9017 -1.3008 -1.3008 -1.2848 -1.2848 -0.0902 -0.0902 -0.0289 -0.0289 0.5279 0.5279 0.6786 0.6786 0.7077 0.7077 1.3389 1.3389 1.4193 1.4193 1.4717 1.4717 1.5321 1.5321 3.1026 3.1026 3.4297 3.4297 3.7892 3.7892 4.1959 4.1959 4.2510 4.2510 4.3784 4.3784 4.8443 4.8443 4.8555 4.8555 4.8958 4.8958 6.9914 6.9914 7.1803 7.1803 7.4796 7.4796 7.4962 7.4962 k = 0.5000 0.2887 0.9047 ( 6888 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5728 -63.5728 -38.1270 -38.1270 -36.4048 -36.4048 -36.4037 -36.4037 -29.4561 -29.4561 -29.2885 -29.2885 -27.7426 -27.7426 -27.7405 -27.7405 -27.6579 -27.6579 -27.6491 -27.6491 -13.4999 -13.4999 -11.9935 -11.9935 -11.9881 -11.9881 -7.9278 -7.9278 -7.7125 -7.7125 -7.4738 -7.4738 -2.9038 -2.9038 -1.2918 -1.2918 -1.2868 -1.2868 -0.1062 -0.1062 -0.0437 -0.0437 0.6977 0.6977 0.8663 0.8663 0.8675 0.8675 1.1881 1.1881 1.3901 1.3901 1.5142 1.5142 1.6654 1.6654 2.2368 2.2368 2.8836 2.8836 3.4646 3.4646 4.2614 4.2614 4.5727 4.5727 4.6383 4.6383 4.8453 4.8453 5.2698 5.2698 5.5184 5.5184 7.2025 7.2025 7.4850 7.4850 7.7226 7.7226 8.7587 8.7587 k = 0.5000 0.2887 0.8815 ( 6876 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5728 -63.5728 -38.1270 -38.1270 -36.4048 -36.4048 -36.4037 -36.4037 -29.4560 -29.4560 -29.2885 -29.2885 -27.7425 -27.7425 -27.7404 -27.7404 -27.6579 -27.6579 -27.6491 -27.6491 -13.5018 -13.5018 -11.9955 -11.9955 -11.9900 -11.9900 -7.9278 -7.9278 -7.7126 -7.7126 -7.4739 -7.4739 -2.8990 -2.8990 -1.2870 -1.2870 -1.2822 -1.2822 -0.1049 -0.1049 -0.0424 -0.0424 0.6992 0.6992 0.8650 0.8650 0.8702 0.8702 1.1890 1.1890 1.3906 1.3906 1.5146 1.5146 1.6661 1.6661 2.2367 2.2367 2.8835 2.8835 3.4646 3.4646 4.2618 4.2618 4.5724 4.5724 4.6382 4.6382 4.8445 4.8445 5.2695 5.2695 5.5182 5.5182 7.1980 7.1980 7.4808 7.4808 7.7223 7.7223 8.7564 8.7564 k = 0.5000 0.2887 0.8583 ( 6864 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1269 -38.1269 -36.4048 -36.4048 -36.4036 -36.4036 -29.4556 -29.4556 -29.2885 -29.2885 -27.7421 -27.7421 -27.7400 -27.7400 -27.6579 -27.6579 -27.6491 -27.6491 -13.5076 -13.5076 -12.0013 -12.0013 -11.9958 -11.9958 -7.9278 -7.9278 -7.7127 -7.7127 -7.4742 -7.4742 -2.8845 -2.8845 -1.2730 -1.2730 -1.2683 -1.2683 -0.1012 -0.1012 -0.0386 -0.0386 0.7034 0.7034 0.8641 0.8641 0.8754 0.8754 1.1916 1.1916 1.3923 1.3923 1.5159 1.5159 1.6684 1.6684 2.2363 2.2363 2.8831 2.8831 3.4645 3.4645 4.2626 4.2626 4.5716 4.5716 4.6377 4.6377 4.8421 4.8421 5.2688 5.2688 5.5177 5.5177 7.1845 7.1845 7.4682 7.4682 7.7212 7.7212 8.7491 8.7491 k = 0.5000 0.2887 0.8351 ( 6864 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5728 -63.5728 -38.1269 -38.1269 -36.4047 -36.4047 -36.4035 -36.4035 -29.4551 -29.4551 -29.2885 -29.2885 -27.7415 -27.7415 -27.7394 -27.7394 -27.6580 -27.6580 -27.6491 -27.6491 -13.5171 -13.5171 -12.0108 -12.0108 -12.0052 -12.0052 -7.9278 -7.9278 -7.7130 -7.7130 -7.4747 -7.4747 -2.8606 -2.8606 -1.2495 -1.2495 -1.2452 -1.2452 -0.0950 -0.0950 -0.0322 -0.0322 0.7105 0.7105 0.8638 0.8638 0.8827 0.8827 1.1958 1.1958 1.3952 1.3952 1.5179 1.5179 1.6722 1.6722 2.2357 2.2357 2.8825 2.8825 3.4643 3.4643 4.2641 4.2641 4.5701 4.5701 4.6369 4.6369 4.8380 4.8380 5.2676 5.2676 5.5169 5.5169 7.1623 7.1623 7.4474 7.4474 7.7193 7.7193 8.7357 8.7357 k = 0.5000 0.2887 0.8119 ( 6872 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5728 -63.5728 -38.1268 -38.1268 -36.4046 -36.4046 -36.4034 -36.4034 -29.4543 -29.4543 -29.2886 -29.2886 -27.7407 -27.7407 -27.7385 -27.7385 -27.6580 -27.6580 -27.6491 -27.6491 -13.5304 -13.5304 -12.0241 -12.0241 -12.0184 -12.0184 -7.9279 -7.9279 -7.7134 -7.7134 -7.4754 -7.4754 -2.8273 -2.8273 -1.2170 -1.2170 -1.2131 -1.2131 -0.0864 -0.0864 -0.0232 -0.0232 0.7203 0.7203 0.8640 0.8640 0.8925 0.8925 1.2015 1.2015 1.3994 1.3994 1.5206 1.5206 1.6777 1.6777 2.2349 2.2349 2.8816 2.8816 3.4641 3.4641 4.2661 4.2661 4.5681 4.5681 4.6357 4.6357 4.8322 4.8322 5.2659 5.2659 5.5157 5.5157 7.1317 7.1317 7.4186 7.4186 7.7167 7.7167 8.7152 8.7152 k = 0.5000 0.2887 0.7887 ( 6866 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5728 -63.5728 -38.1267 -38.1267 -36.4045 -36.4045 -36.4033 -36.4033 -29.4532 -29.4532 -29.2886 -29.2886 -27.7396 -27.7396 -27.7375 -27.7375 -27.6581 -27.6581 -27.6492 -27.6492 -13.5472 -13.5472 -12.0409 -12.0409 -12.0351 -12.0351 -7.9280 -7.9280 -7.7138 -7.7138 -7.4763 -7.4763 -2.7847 -2.7847 -1.1754 -1.1754 -1.1721 -1.1721 -0.0754 -0.0754 -0.0117 -0.0117 0.7325 0.7325 0.8648 0.8648 0.9048 0.9048 1.2084 1.2084 1.4052 1.4052 1.5238 1.5238 1.6849 1.6849 2.2339 2.2339 2.8805 2.8805 3.4639 3.4639 4.2686 4.2686 4.5654 4.5654 4.6341 4.6341 4.8246 4.8246 5.2638 5.2638 5.5141 5.5141 7.0931 7.0931 7.3822 7.3822 7.7132 7.7132 8.6870 8.6870 k = 0.5000 0.2887 0.7655 ( 6874 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5728 -63.5728 -38.1265 -38.1265 -36.4044 -36.4044 -36.4032 -36.4032 -29.4520 -29.4520 -29.2887 -29.2887 -27.7384 -27.7384 -27.7362 -27.7362 -27.6581 -27.6581 -27.6493 -27.6493 -13.5674 -13.5674 -12.0611 -12.0611 -12.0552 -12.0552 -7.9281 -7.9281 -7.7144 -7.7144 -7.4774 -7.4774 -2.7332 -2.7332 -1.1250 -1.1250 -1.1225 -1.1225 -0.0620 -0.0620 0.0023 0.0023 0.7469 0.7469 0.8665 0.8665 0.9197 0.9197 1.2162 1.2162 1.4129 1.4129 1.5274 1.5274 1.6942 1.6942 2.2328 2.2328 2.8792 2.8792 3.4637 3.4637 4.2715 4.2715 4.5620 4.5620 4.6322 4.6322 4.8152 4.8152 5.2611 5.2611 5.5123 5.5123 7.0470 7.0470 7.3385 7.3385 7.7088 7.7088 8.6509 8.6509 k = 0.5000 0.2887 0.7423 ( 6870 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5728 -63.5728 -38.1264 -38.1264 -36.4042 -36.4042 -36.4030 -36.4030 -29.4505 -29.4505 -29.2888 -29.2888 -27.7368 -27.7368 -27.7347 -27.7347 -27.6582 -27.6582 -27.6493 -27.6493 -13.5907 -13.5907 -12.0846 -12.0846 -12.0784 -12.0784 -7.9283 -7.9283 -7.7151 -7.7151 -7.4786 -7.4786 -2.6729 -2.6729 -1.0662 -1.0662 -1.0644 -1.0644 -0.0462 -0.0462 0.0187 0.0187 0.7628 0.7628 0.8695 0.8695 0.9369 0.9369 1.2246 1.2246 1.4228 1.4228 1.5311 1.5311 1.7055 1.7055 2.2317 2.2317 2.8778 2.8778 3.4635 3.4635 4.2748 4.2748 4.5579 4.5579 4.6298 4.6298 4.8039 4.8039 5.2581 5.2581 5.5101 5.5101 6.9939 6.9939 7.2881 7.2881 7.7034 7.7034 8.6075 8.6075 k = 0.5000 0.2887 0.7191 ( 6876 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5728 -63.5728 -38.1262 -38.1262 -36.4040 -36.4040 -36.4029 -36.4029 -29.4488 -29.4488 -29.2888 -29.2888 -27.7351 -27.7351 -27.7330 -27.7330 -27.6583 -27.6583 -27.6494 -27.6494 -13.6171 -13.6171 -12.1110 -12.1110 -12.1047 -12.1047 -7.9285 -7.9285 -7.7158 -7.7158 -7.4800 -7.4800 -2.6042 -2.6042 -0.9993 -0.9993 -0.9981 -0.9981 -0.0281 -0.0281 0.0376 0.0376 0.7792 0.7792 0.8749 0.8749 0.9566 0.9566 1.2332 1.2332 1.4352 1.4352 1.5350 1.5350 1.7189 1.7189 2.2305 2.2305 2.8761 2.8761 3.4633 3.4633 4.2783 4.2783 4.5530 4.5530 4.6270 4.6270 4.7906 4.7906 5.2546 5.2546 5.5077 5.5077 6.9345 6.9345 7.2314 7.2314 7.6971 7.6971 8.5573 8.5573 k = 0.5000 0.2887 0.6959 ( 6872 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5728 -63.5728 -38.1260 -38.1260 -36.4038 -36.4038 -36.4026 -36.4026 -29.4469 -29.4469 -29.2889 -29.2889 -27.7332 -27.7332 -27.7310 -27.7310 -27.6584 -27.6584 -27.6495 -27.6495 -13.6462 -13.6462 -12.1401 -12.1401 -12.1336 -12.1336 -7.9288 -7.9288 -7.7167 -7.7167 -7.4816 -7.4816 -2.5275 -2.5275 -0.9251 -0.9251 -0.9235 -0.9235 -0.0077 -0.0077 0.0588 0.0588 0.7944 0.7944 0.8844 0.8844 0.9787 0.9787 1.2415 1.2415 1.4505 1.4505 1.5389 1.5389 1.7346 1.7346 2.2295 2.2295 2.8744 2.8744 3.4633 3.4633 4.2819 4.2819 4.5472 4.5472 4.6237 4.6237 4.7752 4.7752 5.2506 5.2506 5.5050 5.5050 6.8693 6.8693 7.1689 7.1689 7.6896 7.6896 8.5012 8.5012 k = 0.5000 0.2887 0.6727 ( 6870 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5729 -63.5729 -38.1258 -38.1258 -36.4036 -36.4036 -36.4024 -36.4024 -29.4449 -29.4449 -29.2890 -29.2890 -27.7311 -27.7311 -27.7289 -27.7289 -27.6585 -27.6585 -27.6496 -27.6496 -13.6778 -13.6778 -12.1718 -12.1718 -12.1651 -12.1651 -7.9291 -7.9291 -7.7177 -7.7177 -7.4833 -7.4833 -2.4430 -2.4430 -0.8439 -0.8439 -0.8412 -0.8412 0.0149 0.0149 0.0823 0.0823 0.8065 0.8065 0.8998 0.8998 1.0029 1.0029 1.2494 1.2494 1.4687 1.4687 1.5430 1.5430 1.7525 1.7525 2.2287 2.2287 2.8725 2.8725 3.4634 3.4634 4.2856 4.2856 4.5404 4.5404 4.6199 4.6199 4.7576 4.7576 5.2463 5.2463 5.5021 5.5021 6.7991 6.7991 7.1012 7.1012 7.6809 7.6809 8.4398 8.4398 k = 0.5000 0.2887 0.6495 ( 6874 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5729 -63.5729 -38.1255 -38.1255 -36.4034 -36.4034 -36.4022 -36.4022 -29.4427 -29.4427 -29.2892 -29.2892 -27.7289 -27.7289 -27.7267 -27.7267 -27.6586 -27.6586 -27.6497 -27.6497 -13.7117 -13.7117 -12.2057 -12.2057 -12.1987 -12.1987 -7.9295 -7.9295 -7.7188 -7.7188 -7.4851 -7.4851 -2.3512 -2.3512 -0.7558 -0.7558 -0.7517 -0.7517 0.0396 0.0396 0.1080 0.1080 0.8146 0.8146 0.9220 0.9220 1.0292 1.0292 1.2566 1.2566 1.4898 1.4898 1.5476 1.5476 1.7727 1.7727 2.2283 2.2283 2.8706 2.8706 3.4636 3.4636 4.2891 4.2891 4.5326 4.5326 4.6155 4.6155 4.7377 4.7377 5.2415 5.2415 5.4989 5.4989 6.7243 6.7243 7.0288 7.0288 7.6709 7.6709 8.3739 8.3739 k = 0.5000 0.2887 0.6263 ( 6862 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5729 -63.5729 -38.1253 -38.1253 -36.4031 -36.4031 -36.4019 -36.4019 -29.4403 -29.4403 -29.2893 -29.2893 -27.7264 -27.7264 -27.7242 -27.7242 -27.6587 -27.6587 -27.6498 -27.6498 -13.7474 -13.7474 -12.2415 -12.2415 -12.2343 -12.2343 -7.9300 -7.9300 -7.7199 -7.7199 -7.4871 -7.4871 -2.2526 -2.2526 -0.6614 -0.6614 -0.6556 -0.6556 0.0664 0.0664 0.1359 0.1359 0.8193 0.8193 0.9502 0.9502 1.0574 1.0574 1.2631 1.2631 1.5125 1.5125 1.5538 1.5538 1.7949 1.7949 2.2284 2.2284 2.8687 2.8687 3.4641 3.4641 4.2924 4.2924 4.5235 4.5235 4.6105 4.6105 4.7154 4.7154 5.2363 5.2363 5.4956 5.4956 6.6457 6.6457 6.9522 6.9522 7.6594 7.6594 8.3043 8.3043 k = 0.5000 0.2887 0.6031 ( 6858 PWs) bands (ev): -65.3185 -65.3185 -63.5729 -63.5729 -63.5729 -63.5729 -38.1250 -38.1250 -36.4028 -36.4028 -36.4016 -36.4016 -29.4378 -29.4378 -29.2894 -29.2894 -27.7239 -27.7239 -27.7216 -27.7216 -27.6588 -27.6588 -27.6499 -27.6499 -13.7849 -13.7849 -12.2790 -12.2790 -12.2715 -12.2715 -7.9305 -7.9305 -7.7211 -7.7211 -7.4891 -7.4891 -2.1476 -2.1476 -0.5611 -0.5611 -0.5535 -0.5535 0.0952 0.0952 0.1658 0.1658 0.8217 0.8217 0.9833 0.9833 1.0872 1.0872 1.2689 1.2689 1.5327 1.5327 1.5659 1.5659 1.8192 1.8192 2.2291 2.2291 2.8669 2.8669 3.4649 3.4649 4.2953 4.2953 4.5131 4.5131 4.6050 4.6050 4.6905 4.6905 5.2308 5.2308 5.4920 5.4920 6.5637 6.5637 6.8720 6.8720 7.6461 7.6461 8.2314 8.2314 k = 0.5000 0.2887 0.5799 ( 6862 PWs) bands (ev): -65.3185 -65.3185 -63.5730 -63.5730 -63.5729 -63.5729 -38.1247 -38.1247 -36.4025 -36.4025 -36.4013 -36.4013 -29.4352 -29.4352 -29.2895 -29.2895 -27.7212 -27.7212 -27.7190 -27.7190 -27.6589 -27.6589 -27.6500 -27.6500 -13.8236 -13.8236 -12.3178 -12.3178 -12.3101 -12.3101 -7.9311 -7.9311 -7.7225 -7.7225 -7.4913 -7.4913 -2.0368 -2.0368 -0.4554 -0.4554 -0.4457 -0.4457 0.1258 0.1258 0.1977 0.1977 0.8227 0.8227 1.0204 1.0204 1.1186 1.1186 1.2743 1.2743 1.5443 1.5443 1.5900 1.5900 1.8453 1.8453 2.2307 2.2307 2.8651 2.8651 3.4660 3.4660 4.2976 4.2976 4.5012 4.5012 4.5989 4.5989 4.6629 4.6629 5.2248 5.2248 5.4882 5.4882 6.4790 6.4790 6.7887 6.7887 7.6307 7.6307 8.1562 8.1562 k = 0.5000 0.2887 0.5567 ( 6870 PWs) bands (ev): -65.3185 -65.3185 -63.5730 -63.5730 -63.5729 -63.5729 -38.1244 -38.1244 -36.4022 -36.4022 -36.4011 -36.4011 -29.4325 -29.4325 -29.2897 -29.2897 -27.7184 -27.7184 -27.7162 -27.7162 -27.6590 -27.6590 -27.6502 -27.6502 -13.8635 -13.8635 -12.3577 -12.3577 -12.3498 -12.3498 -7.9318 -7.9318 -7.7239 -7.7239 -7.4935 -7.4935 -1.9207 -1.9207 -0.3450 -0.3450 -0.3330 -0.3330 0.1583 0.1583 0.2315 0.2315 0.8228 0.8228 1.0606 1.0606 1.1510 1.1510 1.2796 1.2796 1.5505 1.5505 1.6227 1.6227 1.8731 1.8731 2.2333 2.2333 2.8635 2.8635 3.4675 3.4675 4.2991 4.2991 4.4875 4.4875 4.5922 4.5922 4.6328 4.6328 5.2183 5.2183 5.4842 5.4842 6.3922 6.3922 6.7028 6.7028 7.6127 7.6127 8.0796 8.0796 k = 0.5000 0.2887 0.5335 ( 6864 PWs) bands (ev): -65.3185 -65.3185 -63.5730 -63.5730 -63.5730 -63.5730 -38.1241 -38.1241 -36.4019 -36.4019 -36.4007 -36.4007 -29.4297 -29.4297 -29.2898 -29.2898 -27.7156 -27.7156 -27.7133 -27.7133 -27.6592 -27.6592 -27.6503 -27.6503 -13.9041 -13.9041 -12.3983 -12.3983 -12.3902 -12.3902 -7.9326 -7.9326 -7.7253 -7.7253 -7.4958 -7.4958 -1.7997 -1.7997 -0.2304 -0.2304 -0.2160 -0.2160 0.1924 0.1924 0.2671 0.2671 0.8225 0.8225 1.1033 1.1033 1.1843 1.1843 1.2852 1.2852 1.5551 1.5551 1.6602 1.6602 1.9025 1.9025 2.2373 2.2373 2.8620 2.8620 3.4695 3.4695 4.2997 4.2997 4.4719 4.4719 4.5841 4.5841 4.6007 4.6007 5.2115 5.2115 5.4801 5.4801 6.3038 6.3038 6.6149 6.6149 7.5914 7.5914 8.0026 8.0026 k = 0.5000 0.2887 0.5103 ( 6854 PWs) bands (ev): -65.3185 -65.3185 -63.5730 -63.5730 -63.5730 -63.5730 -38.1238 -38.1238 -36.4016 -36.4016 -36.4004 -36.4004 -29.4268 -29.4268 -29.2899 -29.2899 -27.7126 -27.7126 -27.7103 -27.7103 -27.6593 -27.6593 -27.6504 -27.6504 -13.9452 -13.9452 -12.4394 -12.4394 -12.4311 -12.4311 -7.9334 -7.9334 -7.7268 -7.7268 -7.4981 -7.4981 -1.6746 -1.6746 -0.1125 -0.1125 -0.0952 -0.0952 0.2282 0.2282 0.3043 0.3043 0.8219 0.8219 1.1476 1.1476 1.2179 1.2179 1.2921 1.2921 1.5594 1.5594 1.7010 1.7010 1.9332 1.9332 2.2428 2.2428 2.8609 2.8609 3.4720 3.4720 4.2991 4.2991 4.4541 4.4541 4.5609 4.5609 4.5804 4.5804 5.2041 5.2041 5.4757 5.4757 6.2144 6.2144 6.5256 6.5256 7.5657 7.5657 7.9267 7.9267 k = 0.5000 0.2887 0.4871 ( 6852 PWs) bands (ev): -65.3185 -65.3185 -63.5730 -63.5730 -63.5730 -63.5730 -38.1235 -38.1235 -36.4013 -36.4013 -36.4001 -36.4001 -29.4238 -29.4238 -29.2901 -29.2901 -27.7096 -27.7096 -27.7073 -27.7073 -27.6594 -27.6594 -27.6505 -27.6505 -13.9865 -13.9865 -12.4808 -12.4808 -12.4722 -12.4722 -7.9342 -7.9342 -7.7284 -7.7284 -7.5004 -7.5004 -1.5459 -1.5459 0.0079 0.0079 0.0284 0.0284 0.2654 0.2654 0.3430 0.3430 0.8212 0.8212 1.1915 1.1915 1.2515 1.2515 1.3021 1.3021 1.5639 1.5639 1.7447 1.7447 1.9650 1.9650 2.2503 2.2503 2.8601 2.8601 3.4751 3.4751 4.2971 4.2971 4.4339 4.4339 4.5227 4.5227 4.5719 4.5719 5.1963 5.1963 5.4711 5.4711 6.1247 6.1247 6.4354 6.4354 7.5343 7.5343 7.8535 7.8535 k = 0.5000 0.2887 0.4640 ( 6864 PWs) bands (ev): -65.3186 -65.3186 -63.5731 -63.5731 -63.5730 -63.5730 -38.1232 -38.1232 -36.4010 -36.4010 -36.3998 -36.3998 -29.4209 -29.4209 -29.2903 -29.2903 -27.7066 -27.7066 -27.7043 -27.7043 -27.6595 -27.6595 -27.6507 -27.6507 -14.0277 -14.0277 -12.5220 -12.5220 -12.5133 -12.5133 -7.9352 -7.9352 -7.7300 -7.7300 -7.5028 -7.5028 -1.4143 -1.4143 0.1299 0.1299 0.1540 0.1540 0.3043 0.3043 0.3832 0.3832 0.8207 0.8207 1.2299 1.2299 1.2870 1.2870 1.3180 1.3180 1.5690 1.5690 1.7909 1.7909 1.9977 1.9977 2.2600 2.2600 2.8597 2.8597 3.4789 3.4789 4.2936 4.2936 4.4111 4.4111 4.4807 4.4807 4.5640 4.5640 5.1878 5.1878 5.4661 5.4661 6.0352 6.0352 6.3448 6.3448 7.4952 7.4952 7.7854 7.7854 k = 0.5000 0.2887 0.4408 ( 6852 PWs) bands (ev): -65.3186 -65.3186 -63.5731 -63.5731 -63.5730 -63.5730 -38.1228 -38.1228 -36.4006 -36.4006 -36.3995 -36.3995 -29.4179 -29.4179 -29.2904 -29.2904 -27.7035 -27.7035 -27.7012 -27.7012 -27.6596 -27.6596 -27.6508 -27.6508 -14.0686 -14.0686 -12.5630 -12.5630 -12.5540 -12.5540 -7.9361 -7.9361 -7.7316 -7.7316 -7.5052 -7.5052 -1.2804 -1.2804 0.2516 0.2516 0.2795 0.2795 0.3461 0.3461 0.4251 0.4251 0.8206 0.8206 1.2556 1.2556 1.3295 1.3295 1.3416 1.3416 1.5749 1.5749 1.8394 1.8394 2.0312 2.0312 2.2724 2.2724 2.8598 2.8598 3.4835 3.4835 4.2883 4.2883 4.3854 4.3854 4.4357 4.4357 4.5560 4.5560 5.1785 5.1785 5.4606 5.4606 5.9468 5.9468 6.2544 6.2544 7.4469 7.4469 7.7245 7.7245 k = 0.5000 0.2887 0.4176 ( 6848 PWs) bands (ev): -65.3186 -65.3186 -63.5731 -63.5731 -63.5730 -63.5730 -38.1225 -38.1225 -36.4003 -36.4003 -36.3991 -36.3991 -29.4149 -29.4149 -29.2906 -29.2906 -27.7005 -27.7005 -27.6982 -27.6982 -27.6597 -27.6597 -27.6509 -27.6509 -14.1089 -14.1089 -12.6033 -12.6033 -12.5942 -12.5942 -7.9371 -7.9371 -7.7332 -7.7332 -7.5075 -7.5075 -1.1450 -1.1450 0.3632 0.3632 0.3848 0.3848 0.4165 0.4165 0.4701 0.4701 0.8214 0.8214 1.2704 1.2704 1.3698 1.3698 1.3799 1.3799 1.5818 1.5818 1.8898 1.8898 2.0650 2.0650 2.2878 2.2878 2.8605 2.8605 3.4888 3.4888 4.2809 4.2809 4.3567 4.3567 4.3880 4.3880 4.5480 4.5480 5.1684 5.1684 5.4545 5.4545 5.8602 5.8602 6.1647 6.1647 7.3888 7.3888 7.6716 7.6716 k = 0.5000 0.2887 0.3944 ( 6862 PWs) bands (ev): -65.3186 -65.3186 -63.5731 -63.5731 -63.5731 -63.5731 -38.1222 -38.1222 -36.4000 -36.4000 -36.3988 -36.3988 -29.4119 -29.4119 -29.2907 -29.2907 -27.6976 -27.6976 -27.6952 -27.6952 -27.6598 -27.6598 -27.6510 -27.6510 -14.1484 -14.1484 -12.6428 -12.6428 -12.6335 -12.6335 -7.9381 -7.9381 -7.7348 -7.7348 -7.5098 -7.5098 -1.0088 -1.0088 0.4179 0.4179 0.4811 0.4811 0.5217 0.5217 0.5439 0.5439 0.8242 0.8242 1.2807 1.2807 1.3991 1.3991 1.4349 1.4349 1.5902 1.5902 1.9420 1.9420 2.0991 2.0991 2.3067 2.3067 2.8620 2.8620 3.4950 3.4950 4.2710 4.2710 4.3236 4.3236 4.3392 4.3392 4.5399 4.5399 5.1572 5.1572 5.4471 5.4471 5.7765 5.7765 6.0762 6.0762 7.3222 7.3222 7.6261 7.6261 k = 0.5000 0.2887 0.3712 ( 6868 PWs) bands (ev): -65.3186 -65.3186 -63.5731 -63.5731 -63.5731 -63.5731 -38.1219 -38.1219 -36.3997 -36.3997 -36.3985 -36.3985 -29.4090 -29.4090 -29.2909 -29.2909 -27.6947 -27.6947 -27.6923 -27.6923 -27.6599 -27.6599 -27.6511 -27.6511 -14.1869 -14.1869 -12.6813 -12.6813 -12.6718 -12.6718 -7.9392 -7.9392 -7.7364 -7.7364 -7.5121 -7.5121 -0.8727 -0.8727 0.4606 0.4606 0.5411 0.5411 0.6191 0.6191 0.6652 0.6652 0.8325 0.8325 1.2905 1.2905 1.4281 1.4281 1.4923 1.4923 1.6003 1.6003 1.9956 1.9956 2.1332 2.1332 2.3295 2.3295 2.8642 2.8642 3.5020 3.5020 4.2556 4.2556 4.2819 4.2819 4.2967 4.2967 4.5318 4.5318 5.1445 5.1445 5.4377 5.4377 5.6975 5.6975 5.9898 5.9898 7.2494 7.2494 7.5864 7.5864 k = 0.5000 0.2887 0.3480 ( 6868 PWs) bands (ev): -65.3187 -65.3187 -63.5732 -63.5732 -63.5731 -63.5731 -38.1216 -38.1216 -36.3994 -36.3994 -36.3982 -36.3982 -29.4062 -29.4062 -29.2910 -29.2910 -27.6918 -27.6918 -27.6894 -27.6894 -27.6599 -27.6599 -27.6512 -27.6512 -14.2241 -14.2241 -12.7185 -12.7185 -12.7089 -12.7089 -7.9402 -7.9402 -7.7380 -7.7380 -7.5143 -7.5143 -0.7374 -0.7374 0.5023 0.5023 0.5868 0.5868 0.7092 0.7092 0.7846 0.7846 0.8578 0.8578 1.3021 1.3021 1.4563 1.4563 1.5500 1.5500 1.6135 1.6135 2.0502 2.0502 2.1670 2.1670 2.3564 2.3564 2.8674 2.8674 3.5100 3.5100 4.2161 4.2161 4.2483 4.2483 4.2621 4.2621 4.5236 4.5236 5.1300 5.1300 5.4243 5.4243 5.6258 5.6258 5.9059 5.9059 7.1730 7.1730 7.5507 7.5507 k = 0.5000 0.2887 0.3248 ( 6866 PWs) bands (ev): -65.3187 -65.3187 -63.5732 -63.5732 -63.5731 -63.5731 -38.1213 -38.1213 -36.3991 -36.3991 -36.3979 -36.3979 -29.4034 -29.4034 -29.2911 -29.2911 -27.6891 -27.6891 -27.6866 -27.6866 -27.6600 -27.6600 -27.6512 -27.6512 -14.2598 -14.2598 -12.7543 -12.7543 -12.7445 -12.7445 -7.9413 -7.9413 -7.7395 -7.7395 -7.5165 -7.5165 -0.6039 -0.6039 0.5436 0.5436 0.6304 0.6304 0.7586 0.7586 0.8961 0.8961 0.9215 0.9215 1.3183 1.3183 1.4843 1.4843 1.5998 1.5998 1.6373 1.6373 2.1056 2.1056 2.2003 2.2003 2.3878 2.3878 2.8717 2.8717 3.5189 3.5189 4.1588 4.1588 4.2126 4.2126 4.2397 4.2397 4.5155 4.5155 5.1130 5.1130 5.4036 5.4036 5.5658 5.5658 5.8253 5.8253 7.0950 7.0950 7.5180 7.5180 k = 0.5000 0.2887 0.3016 ( 6864 PWs) bands (ev): -65.3187 -65.3187 -63.5732 -63.5732 -63.5731 -63.5731 -38.1210 -38.1210 -36.3988 -36.3988 -36.3977 -36.3977 -29.4008 -29.4008 -29.2913 -29.2913 -27.6865 -27.6865 -27.6840 -27.6840 -27.6600 -27.6600 -27.6513 -27.6513 -14.2939 -14.2939 -12.7884 -12.7884 -12.7785 -12.7785 -7.9423 -7.9423 -7.7410 -7.7410 -7.5185 -7.5185 -0.4731 -0.4731 0.5844 0.5844 0.6729 0.6729 0.7754 0.7754 0.9963 0.9963 1.0100 1.0100 1.3435 1.3435 1.5134 1.5134 1.6250 1.6250 1.6875 1.6875 2.1611 2.1611 2.2332 2.2332 2.4236 2.4236 2.8773 2.8773 3.5286 3.5286 4.0971 4.0971 4.1702 4.1702 4.2213 4.2213 4.5073 4.5073 5.0927 5.0927 5.3717 5.3717 5.5223 5.5223 5.7487 5.7487 7.0169 7.0169 7.4876 7.4876 k = 0.5000 0.2887 0.2784 ( 6870 PWs) bands (ev): -65.3187 -65.3187 -63.5732 -63.5732 -63.5732 -63.5732 -38.1208 -38.1208 -36.3986 -36.3986 -36.3974 -36.3974 -29.3982 -29.3982 -29.2914 -29.2914 -27.6840 -27.6840 -27.6814 -27.6814 -27.6600 -27.6600 -27.6513 -27.6513 -14.3262 -14.3262 -12.8207 -12.8207 -12.8106 -12.8106 -7.9433 -7.9433 -7.7424 -7.7424 -7.5205 -7.5205 -0.3460 -0.3460 0.6244 0.6244 0.7142 0.7142 0.7814 0.7814 1.0806 1.0806 1.0961 1.0961 1.3837 1.3837 1.5458 1.5458 1.6406 1.6406 1.7483 1.7483 2.2155 2.2155 2.2659 2.2659 2.4639 2.4639 2.8844 2.8844 3.5391 3.5391 4.0326 4.0326 4.1246 4.1246 4.2021 4.2021 4.4991 4.4991 5.0682 5.0682 5.3299 5.3299 5.4951 5.4951 5.6770 5.6770 6.9400 6.9400 7.4593 7.4593 k = 0.5000 0.2887 0.2552 ( 6876 PWs) bands (ev): -65.3187 -65.3187 -63.5732 -63.5732 -63.5732 -63.5732 -38.1205 -38.1205 -36.3983 -36.3983 -36.3971 -36.3971 -29.3958 -29.3958 -29.2915 -29.2915 -27.6817 -27.6817 -27.6790 -27.6790 -27.6599 -27.6599 -27.6513 -27.6513 -14.3564 -14.3564 -12.8510 -12.8510 -12.8408 -12.8408 -7.9442 -7.9442 -7.7438 -7.7438 -7.5223 -7.5223 -0.2236 -0.2236 0.6634 0.6634 0.7535 0.7535 0.7844 0.7844 1.1388 1.1388 1.1746 1.1746 1.4428 1.4428 1.5844 1.5844 1.6543 1.6543 1.8111 1.8111 2.2663 2.2663 2.3004 2.3004 2.5083 2.5083 2.8932 2.8932 3.5503 3.5503 3.9660 3.9660 4.0764 4.0764 4.1817 4.1817 4.4908 4.4908 5.0389 5.0389 5.2848 5.2848 5.4783 5.4783 5.6113 5.6113 6.8653 6.8653 7.4333 7.4333 k = 0.5000 0.2887 0.2320 ( 6880 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1203 -38.1203 -36.3981 -36.3981 -36.3969 -36.3969 -29.3936 -29.3936 -29.2917 -29.2917 -27.6796 -27.6796 -27.6768 -27.6768 -27.6598 -27.6598 -27.6513 -27.6513 -14.3846 -14.3846 -12.8791 -12.8791 -12.8688 -12.8688 -7.9452 -7.9452 -7.7451 -7.7451 -7.5240 -7.5240 -0.1071 -0.1071 0.7010 0.7010 0.7801 0.7801 0.7970 0.7970 1.1743 1.1743 1.2397 1.2397 1.5169 1.5169 1.6310 1.6310 1.6675 1.6675 1.8740 1.8740 2.3072 2.3072 2.3421 2.3421 2.5565 2.5565 2.9040 2.9040 3.5620 3.5620 3.8976 3.8976 4.0261 4.0261 4.1603 4.1603 4.4826 4.4826 5.0047 5.0047 5.2419 5.2419 5.4660 5.4660 5.5531 5.5531 6.7938 6.7938 7.4095 7.4095 k = 0.5000 0.2887 0.2088 ( 6880 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1201 -38.1201 -36.3978 -36.3978 -36.3967 -36.3967 -29.3915 -29.3915 -29.2918 -29.2918 -27.6777 -27.6777 -27.6748 -27.6748 -27.6597 -27.6597 -27.6513 -27.6513 -14.4104 -14.4104 -12.9050 -12.9050 -12.8946 -12.8946 -7.9460 -7.9460 -7.7463 -7.7463 -7.5256 -7.5256 0.0024 0.0024 0.7368 0.7368 0.7826 0.7826 0.8311 0.8311 1.1958 1.1958 1.2894 1.2894 1.5954 1.5954 1.6794 1.6794 1.6883 1.6883 1.9361 1.9361 2.3377 2.3377 2.3906 2.3906 2.6078 2.6078 2.9172 2.9172 3.5740 3.5740 3.8279 3.8279 3.9741 3.9741 4.1383 4.1383 4.4743 4.4743 4.9667 4.9667 5.2032 5.2032 5.4530 5.4530 5.5057 5.5057 6.7260 6.7260 7.3883 7.3883 k = 0.5000 0.2887 0.1856 ( 6880 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1199 -38.1199 -36.3976 -36.3976 -36.3965 -36.3965 -29.3896 -29.3896 -29.2919 -29.2919 -27.6759 -27.6759 -27.6730 -27.6730 -27.6595 -27.6595 -27.6513 -27.6513 -14.4339 -14.4339 -12.9284 -12.9284 -12.9180 -12.9180 -7.9468 -7.9468 -7.7474 -7.7474 -7.5271 -7.5271 0.1039 0.1039 0.7698 0.7698 0.7834 0.7834 0.8647 0.8647 1.2095 1.2095 1.3251 1.3251 1.6588 1.6588 1.7090 1.7090 1.7473 1.7473 1.9965 1.9965 2.3633 2.3633 2.4395 2.4395 2.6613 2.6613 2.9332 2.9332 3.5859 3.5859 3.7572 3.7572 3.9210 3.9210 4.1161 4.1161 4.4662 4.4662 4.9269 4.9269 5.1685 5.1685 5.4306 5.4306 5.4769 5.4769 6.6629 6.6629 7.3695 7.3695 k = 0.5000 0.2887 0.1624 ( 6888 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1197 -38.1197 -36.3975 -36.3975 -36.3963 -36.3963 -29.3878 -29.3878 -29.2920 -29.2920 -27.6745 -27.6745 -27.6714 -27.6714 -27.6593 -27.6593 -27.6512 -27.6512 -14.4548 -14.4548 -12.9494 -12.9494 -12.9389 -12.9389 -7.9475 -7.9475 -7.7483 -7.7483 -7.5284 -7.5284 0.1961 0.1961 0.7811 0.7811 0.8033 0.8033 0.8958 0.8958 1.2188 1.2188 1.3502 1.3502 1.6821 1.6821 1.7713 1.7713 1.8093 1.8093 2.0541 2.0541 2.3856 2.3856 2.4861 2.4861 2.7161 2.7161 2.9524 2.9524 3.5974 3.5974 3.6862 3.6862 3.8676 3.8676 4.0943 4.0943 4.4582 4.4582 4.8873 4.8873 5.1371 5.1371 5.4002 5.4002 5.4649 5.4649 6.6051 6.6051 7.3534 7.3534 k = 0.5000 0.2887 0.1392 ( 6888 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1195 -38.1195 -36.3973 -36.3973 -36.3961 -36.3961 -29.3863 -29.3863 -29.2920 -29.2920 -27.6733 -27.6733 -27.6699 -27.6699 -27.6591 -27.6591 -27.6511 -27.6511 -14.4732 -14.4732 -12.9677 -12.9677 -12.9572 -12.9572 -7.9482 -7.9482 -7.7492 -7.7492 -7.5295 -7.5295 0.2781 0.2781 0.7809 0.7809 0.8317 0.8317 0.9236 0.9236 1.2255 1.2255 1.3677 1.3677 1.6919 1.6919 1.8389 1.8389 1.8690 1.8690 2.1079 2.1079 2.4051 2.4051 2.5290 2.5290 2.7709 2.7709 2.9755 2.9755 3.6041 3.6041 3.6194 3.6194 3.8146 3.8146 4.0737 4.0737 4.4504 4.4504 4.8500 4.8500 5.1085 5.1085 5.3719 5.3719 5.4589 5.4589 6.5534 6.5534 7.3399 7.3399 k = 0.5000 0.2887 0.1160 ( 6884 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1194 -38.1194 -36.3972 -36.3972 -36.3960 -36.3960 -29.3850 -29.3850 -29.2921 -29.2921 -27.6722 -27.6722 -27.6688 -27.6688 -27.6588 -27.6588 -27.6510 -27.6510 -14.4888 -14.4888 -12.9834 -12.9834 -12.9728 -12.9728 -7.9487 -7.9487 -7.7499 -7.7499 -7.5305 -7.5305 0.3489 0.3489 0.7805 0.7805 0.8572 0.8572 0.9479 0.9479 1.2307 1.2307 1.3800 1.3800 1.6984 1.6984 1.9000 1.9000 1.9232 1.9232 2.1566 2.1566 2.4219 2.4219 2.5672 2.5672 2.8242 2.8242 3.0029 3.0029 3.5427 3.5427 3.6202 3.6202 3.7633 3.7633 4.0548 4.0548 4.4432 4.4432 4.8166 4.8166 5.0828 5.0828 5.3489 5.3489 5.4551 5.4551 6.5082 6.5082 7.3289 7.3289 k = 0.5000 0.2887 0.0928 ( 6886 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1193 -38.1193 -36.3971 -36.3971 -36.3959 -36.3959 -29.3839 -29.3839 -29.2922 -29.2922 -27.6714 -27.6714 -27.6678 -27.6678 -27.6586 -27.6586 -27.6509 -27.6509 -14.5017 -14.5017 -12.9963 -12.9963 -12.9857 -12.9857 -7.9492 -7.9492 -7.7506 -7.7506 -7.5313 -7.5313 0.4077 0.4077 0.7800 0.7800 0.8790 0.8790 0.9683 0.9683 1.2347 1.2347 1.3886 1.3886 1.7031 1.7031 1.9520 1.9520 1.9697 1.9697 2.1989 2.1989 2.4359 2.4359 2.5997 2.5997 2.8741 2.8741 3.0351 3.0351 3.4733 3.4733 3.6289 3.6289 3.7153 3.7153 4.0382 4.0382 4.4367 4.4367 4.7880 4.7880 5.0606 5.0606 5.3311 5.3311 5.4525 5.4525 6.4704 6.4704 7.3203 7.3203 k = 0.5000 0.2887 0.0696 ( 6876 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1192 -38.1192 -36.3969 -36.3969 -36.3958 -36.3958 -29.3831 -29.3831 -29.2922 -29.2922 -27.6708 -27.6708 -27.6671 -27.6671 -27.6583 -27.6583 -27.6509 -27.6509 -14.5118 -14.5118 -13.0064 -13.0064 -12.9957 -12.9957 -7.9496 -7.9496 -7.7510 -7.7510 -7.5319 -7.5319 0.4539 0.4539 0.7796 0.7796 0.8968 0.8968 0.9844 0.9844 1.2378 1.2378 1.3946 1.3946 1.7065 1.7065 1.9939 1.9939 2.0068 2.0068 2.2335 2.2335 2.4469 2.4469 2.6257 2.6257 2.9182 2.9182 3.0726 3.0726 3.4054 3.4054 3.6361 3.6361 3.6728 3.6728 4.0247 4.0247 4.4312 4.4312 4.7652 4.7652 5.0425 5.0425 5.3180 5.3180 5.4506 5.4506 6.4403 6.4403 7.3138 7.3138 k = 0.5000 0.2887 0.0464 ( 6868 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3969 -36.3969 -36.3957 -36.3957 -29.3825 -29.3825 -29.2922 -29.2922 -27.6703 -27.6703 -27.6665 -27.6665 -27.6581 -27.6581 -27.6508 -27.6508 -14.5191 -14.5191 -13.0137 -13.0137 -13.0030 -13.0030 -7.9498 -7.9498 -7.7514 -7.7514 -7.5324 -7.5324 0.4872 0.4872 0.7793 0.7793 0.9099 0.9099 0.9961 0.9961 1.2400 1.2400 1.3985 1.3985 1.7089 1.7089 2.0249 2.0249 2.0334 2.0334 2.2591 2.2591 2.4549 2.4549 2.6448 2.6448 2.9535 2.9535 3.1155 3.1155 3.3401 3.3401 3.6384 3.6384 3.6418 3.6418 4.0146 4.0146 4.4270 4.4270 4.7486 4.7486 5.0291 5.0291 5.3092 5.3092 5.4493 5.4493 6.4185 6.4185 7.3094 7.3094 k = 0.5000 0.2887 0.0232 ( 6878 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3968 -36.3968 -36.3957 -36.3957 -29.3821 -29.3821 -29.2922 -29.2922 -27.6701 -27.6701 -27.6662 -27.6662 -27.6580 -27.6580 -27.6507 -27.6507 -14.5235 -14.5235 -13.0181 -13.0181 -13.0073 -13.0073 -7.9500 -7.9500 -7.7516 -7.7516 -7.5327 -7.5327 0.5071 0.5071 0.7791 0.7791 0.9180 0.9180 1.0032 1.0032 1.2413 1.2413 1.4006 1.4006 1.7102 1.7102 2.0445 2.0445 2.0489 2.0489 2.2748 2.2748 2.4598 2.4598 2.6564 2.6564 2.9767 2.9767 3.1635 3.1635 3.2785 3.2785 3.6161 3.6161 3.6450 3.6450 4.0084 4.0084 4.4243 4.4243 4.7385 4.7385 5.0209 5.0209 5.3040 5.3040 5.4486 5.4486 6.4052 6.4052 7.3068 7.3068 k = 0.5000 0.2887-0.0000 ( 6878 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5732 -63.5732 -38.1191 -38.1191 -36.3968 -36.3968 -36.3957 -36.3957 -29.3820 -29.3820 -29.2922 -29.2922 -27.6700 -27.6700 -27.6661 -27.6661 -27.6580 -27.6580 -27.6507 -27.6507 -14.5249 -14.5249 -13.0195 -13.0195 -13.0088 -13.0088 -7.9500 -7.9500 -7.7517 -7.7517 -7.5328 -7.5328 0.5138 0.5138 0.7790 0.7790 0.9207 0.9207 1.0055 1.0055 1.2418 1.2418 1.4014 1.4014 1.7107 1.7107 2.0519 2.0519 2.0532 2.0532 2.2802 2.2802 2.4614 2.4614 2.6603 2.6603 2.9849 2.9849 3.2061 3.2061 3.2312 3.2312 3.6082 3.6082 3.6461 3.6461 4.0063 4.0063 4.4234 4.4234 4.7351 4.7351 5.0181 5.0181 5.3023 5.3023 5.4484 5.4484 6.4008 6.4008 7.3059 7.3059 k = 0.3333 0.5774-0.0000 ( 6879 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3963 -36.3963 -36.3963 -36.3963 -29.3820 -29.3820 -29.2922 -29.2922 -27.6706 -27.6706 -27.6646 -27.6646 -27.6579 -27.6579 -27.6519 -27.6519 -14.5249 -14.5249 -13.0142 -13.0142 -13.0141 -13.0141 -7.8865 -7.8865 -7.8126 -7.8126 -7.5390 -7.5390 0.5136 0.5136 0.9043 0.9043 0.9244 0.9244 1.0544 1.0544 1.1101 1.1101 1.3996 1.3996 1.6655 1.6655 2.0025 2.0025 2.0925 2.0925 2.3409 2.3409 2.3651 2.3651 2.7685 2.7685 2.8393 2.8393 3.2412 3.2412 3.3255 3.3255 3.4051 3.4051 3.7613 3.7613 3.8103 3.8103 4.6935 4.6935 4.6954 4.6954 5.2064 5.2064 5.2239 5.2239 5.3003 5.3003 6.4297 6.4297 7.5290 7.5290 k = 0.3333 0.5774 0.0232 ( 6897 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3963 -36.3963 -36.3963 -36.3963 -29.3821 -29.3821 -29.2923 -29.2923 -27.6707 -27.6707 -27.6648 -27.6648 -27.6579 -27.6579 -27.6519 -27.6519 -14.5234 -14.5234 -13.0127 -13.0127 -13.0126 -13.0126 -7.8864 -7.8864 -7.8125 -7.8125 -7.5389 -7.5389 0.5070 0.5070 0.9022 0.9022 0.9236 0.9236 1.0526 1.0526 1.1093 1.1093 1.3989 1.3989 1.6650 1.6650 1.9966 1.9966 2.0864 2.0864 2.3380 2.3380 2.3626 2.3626 2.7645 2.7645 2.8250 2.8250 3.2576 3.2576 3.3205 3.3205 3.4003 3.4003 3.7674 3.7674 3.8163 3.8163 4.6947 4.6947 4.6989 4.6989 5.2074 5.2074 5.2268 5.2268 5.3005 5.3005 6.4338 6.4338 7.5302 7.5302 k = 0.3333 0.5774 0.0464 ( 6867 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1191 -38.1191 -36.3963 -36.3963 -36.3963 -36.3963 -29.3825 -29.3825 -29.2922 -29.2922 -27.6709 -27.6709 -27.6651 -27.6651 -27.6578 -27.6578 -27.6520 -27.6520 -14.5191 -14.5191 -13.0083 -13.0083 -13.0083 -13.0083 -7.8862 -7.8862 -7.8124 -7.8124 -7.5386 -7.5386 0.4871 0.4871 0.8957 0.8957 0.9212 0.9212 1.0475 1.0475 1.1068 1.1068 1.3966 1.3966 1.6636 1.6636 1.9787 1.9787 2.0684 2.0684 2.3295 2.3295 2.3552 2.3552 2.7492 2.7492 2.7918 2.7918 3.3008 3.3008 3.3064 3.3064 3.3871 3.3871 3.7849 3.7849 3.8334 3.8334 4.6985 4.6985 4.7095 4.7095 5.2103 5.2103 5.2358 5.2358 5.3010 5.3010 6.4459 6.4459 7.5340 7.5340 k = 0.3333 0.5774 0.0696 ( 6867 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1192 -38.1192 -36.3964 -36.3964 -36.3964 -36.3964 -29.3831 -29.3831 -29.2922 -29.2922 -27.6713 -27.6713 -27.6657 -27.6657 -27.6578 -27.6578 -27.6522 -27.6522 -14.5118 -14.5118 -13.0011 -13.0011 -13.0010 -13.0010 -7.8859 -7.8859 -7.8121 -7.8121 -7.5381 -7.5381 0.4540 0.4540 0.8850 0.8850 0.9167 0.9167 1.0394 1.0394 1.1031 1.1031 1.3927 1.3927 1.6610 1.6610 1.9492 1.9492 2.0392 2.0392 2.3153 2.3153 2.3427 2.3427 2.7098 2.7098 2.7631 2.7631 3.2856 3.2856 3.3586 3.3586 3.3691 3.3691 3.8115 3.8115 3.8594 3.8594 4.7044 4.7044 4.7268 4.7268 5.2152 5.2152 5.2508 5.2508 5.3020 5.3020 6.4659 6.4659 7.5404 7.5404 k = 0.3333 0.5774 0.0928 ( 6867 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1193 -38.1193 -36.3965 -36.3965 -36.3965 -36.3965 -29.3839 -29.3839 -29.2921 -29.2921 -27.6719 -27.6719 -27.6666 -27.6666 -27.6577 -27.6577 -27.6524 -27.6524 -14.5017 -14.5017 -12.9910 -12.9910 -12.9909 -12.9909 -7.8854 -7.8854 -7.8117 -7.8117 -7.5375 -7.5375 0.4078 0.4078 0.8702 0.8702 0.9097 0.9097 1.0291 1.0291 1.0986 1.0986 1.3868 1.3868 1.6569 1.6569 1.9084 1.9084 2.0000 2.0000 2.2955 2.2955 2.3247 2.3247 2.6516 2.6516 2.7415 2.7415 3.2608 3.2608 3.3440 3.3440 3.4285 3.4285 3.8446 3.8446 3.8918 3.8918 4.7121 4.7121 4.7504 4.7504 5.2221 5.2221 5.2720 5.2720 5.3034 5.3034 6.4936 6.4936 7.5495 7.5495 k = 0.3333 0.5774 0.1160 ( 6873 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1194 -38.1194 -36.3966 -36.3966 -36.3966 -36.3966 -29.3850 -29.3850 -29.2921 -29.2921 -27.6727 -27.6727 -27.6677 -27.6677 -27.6577 -27.6577 -27.6527 -27.6527 -14.4888 -14.4888 -12.9781 -12.9781 -12.9780 -12.9780 -7.8849 -7.8849 -7.8112 -7.8112 -7.5367 -7.5367 0.3491 0.3491 0.8514 0.8514 0.8994 0.8994 1.0174 1.0174 1.0937 1.0937 1.3782 1.3782 1.6508 1.6508 1.8568 1.8568 1.9524 1.9524 2.2703 2.2703 2.3013 2.3013 2.5875 2.5875 2.7188 2.7188 3.2341 3.2341 3.3194 3.3194 3.5008 3.5008 3.8822 3.8822 3.9283 3.9283 4.7210 4.7210 4.7797 4.7797 5.2312 5.2312 5.2997 5.2997 5.3054 5.3054 6.5285 6.5285 7.5614 7.5614 k = 0.3333 0.5774 0.1392 ( 6879 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1195 -38.1195 -36.3967 -36.3967 -36.3967 -36.3967 -29.3863 -29.3863 -29.2920 -29.2920 -27.6737 -27.6737 -27.6691 -27.6691 -27.6576 -27.6576 -27.6529 -27.6529 -14.4731 -14.4731 -12.9625 -12.9625 -12.9624 -12.9624 -7.8842 -7.8842 -7.8106 -7.8106 -7.5357 -7.5357 0.2784 0.2784 0.8289 0.8289 0.8849 0.8849 1.0054 1.0054 1.0888 1.0888 1.3663 1.3663 1.6417 1.6417 1.7951 1.7951 1.8988 1.8988 2.2399 2.2399 2.2725 2.2725 2.5223 2.5223 2.6929 2.6929 3.2074 3.2074 3.2950 3.2950 3.5753 3.5753 3.9224 3.9224 3.9673 3.9673 4.7307 4.7307 4.8140 4.8140 5.2423 5.2423 5.3084 5.3084 5.3339 5.3339 6.5703 6.5703 7.5764 7.5764 k = 0.3333 0.5774 0.1624 ( 6885 PWs) bands (ev): -65.3188 -65.3188 -63.5733 -63.5733 -63.5733 -63.5733 -38.1197 -38.1197 -36.3969 -36.3969 -36.3969 -36.3969 -29.3878 -29.3878 -29.2920 -29.2920 -27.6750 -27.6750 -27.6707 -27.6707 -27.6575 -27.6575 -27.6532 -27.6532 -14.4548 -14.4548 -12.9442 -12.9442 -12.9441 -12.9441 -7.8834 -7.8834 -7.8099 -7.8099 -7.5345 -7.5345 0.1964 0.1964 0.8028 0.8028 0.8657 0.8657 0.9938 0.9938 1.0843 1.0843 1.3496 1.3496 1.6277 1.6277 1.7240 1.7240 1.8429 1.8429 2.2048 2.2048 2.2387 2.2387 2.4579 2.4579 2.6639 2.6639 3.1818 3.1818 3.2718 3.2718 3.6506 3.6506 3.9639 3.9639 4.0076 4.0076 4.7407 4.7407 4.8520 4.8520 5.2554 5.2554 5.3131 5.3131 5.3748 5.3748 6.6185 6.6185 7.5947 7.5947 k = 0.3333 0.5774 0.1856 ( 6879 PWs) bands (ev): -65.3188 -65.3188 -63.5732 -63.5732 -63.5732 -63.5732 -38.1199 -38.1199 -36.3971 -36.3971 -36.3971 -36.3971 -29.3895 -29.3895 -29.2919 -29.2919 -27.6764 -27.6764 -27.6724 -27.6724 -27.6575 -27.6575 -27.6535 -27.6535 -14.4338 -14.4338 -12.9232 -12.9232 -12.9232 -12.9232 -7.8825 -7.8825 -7.8091 -7.8091 -7.5332 -7.5332 0.1041 0.1041 0.7735 0.7735 0.8415 0.8415 0.9827 0.9827 1.0802 1.0802 1.3259 1.3259 1.6058 1.6058 1.6446 1.6446 1.7903 1.7903 2.1654 2.1654 2.2002 2.2002 2.3959 2.3959 2.6319 2.6319 3.1582 3.1582 3.2506 3.2506 3.7258 3.7258 4.0058 4.0058 4.0480 4.0480 4.7505 4.7505 4.8927 4.8927 5.2694 5.2694 5.3213 5.3213 5.4221 5.4221 6.6726 6.6726 7.6163 7.6163 k = 0.3333 0.5774 0.2088 ( 6882 PWs) bands (ev): -65.3188 -65.3188 -63.5732 -63.5732 -63.5732 -63.5732 -38.1201 -38.1201 -36.3973 -36.3973 -36.3973 -36.3973 -29.3915 -29.3915 -29.2918 -29.2918 -27.6780 -27.6780 -27.6744 -27.6744 -27.6574 -27.6574 -27.6537 -27.6537 -14.4104 -14.4104 -12.8998 -12.8998 -12.8997 -12.8997 -7.8815 -7.8815 -7.8082 -7.8082 -7.5317 -7.5317 0.0026 0.0026 0.7413 0.7413 0.8129 0.8129 0.9715 0.9715 1.0766 1.0766 1.2921 1.2921 1.5584 1.5584 1.5734 1.5734 1.7473 1.7473 2.1223 2.1223 2.1577 2.1577 2.3371 2.3371 2.5973 2.5973 3.1371 3.1371 3.2318 3.2318 3.8001 3.8001 4.0473 4.0473 4.0880 4.0880 4.7600 4.7600 4.9344 4.9344 5.2820 5.2820 5.3363 5.3363 5.4757 5.4757 6.7320 6.7320 7.6414 7.6414 k = 0.3333 0.5774 0.2320 ( 6888 PWs) bands (ev): -65.3188 -65.3188 -63.5732 -63.5732 -63.5732 -63.5732 -38.1203 -38.1203 -36.3975 -36.3975 -36.3975 -36.3975 -29.3936 -29.3936 -29.2917 -29.2917 -27.6799 -27.6799 -27.6766 -27.6766 -27.6572 -27.6572 -27.6539 -27.6539 -14.3845 -14.3845 -12.8740 -12.8740 -12.8739 -12.8739 -7.8804 -7.8804 -7.8073 -7.8073 -7.5301 -7.5301 -0.1070 -0.1070 0.7067 0.7067 0.7805 0.7805 0.9588 0.9588 1.0735 1.0735 1.2442 1.2442 1.4674 1.4674 1.5322 1.5322 1.7165 1.7165 2.0762 2.0762 2.1119 2.1119 2.2824 2.2824 2.5605 2.5605 3.1186 3.1186 3.2155 3.2155 3.8731 3.8731 4.0878 4.0878 4.1269 4.1269 4.7688 4.7688 4.9754 4.9754 5.2911 5.2911 5.3612 5.3612 5.5352 5.5352 6.7962 6.7962 7.6702 7.6702 k = 0.3333 0.5774 0.2552 ( 6888 PWs) bands (ev): -65.3188 -65.3188 -63.5732 -63.5732 -63.5732 -63.5732 -38.1205 -38.1205 -36.3977 -36.3977 -36.3977 -36.3977 -29.3958 -29.3958 -29.2916 -29.2916 -27.6819 -27.6819 -27.6789 -27.6789 -27.6571 -27.6571 -27.6541 -27.6541 -14.3564 -14.3564 -12.8459 -12.8459 -12.8458 -12.8458 -7.8793 -7.8793 -7.8063 -7.8063 -7.5284 -7.5284 -0.2235 -0.2235 0.6700 0.6700 0.7450 0.7450 0.9421 0.9421 1.0703 1.0703 1.1796 1.1796 1.3744 1.3744 1.4887 1.4887 1.6952 1.6952 2.0276 2.0276 2.0634 2.0634 2.2326 2.2326 2.5220 2.5220 3.1028 3.1028 3.2017 3.2017 3.9444 3.9444 4.1267 4.1267 4.1641 4.1641 4.7770 4.7770 5.0141 5.0141 5.2972 5.2972 5.3969 5.3969 5.6003 5.6003 6.8645 6.8645 7.7026 7.7026 k = 0.3333 0.5774 0.2784 ( 6882 PWs) bands (ev): -65.3187 -65.3187 -63.5732 -63.5732 -63.5732 -63.5732 -38.1208 -38.1208 -36.3980 -36.3980 -36.3980 -36.3980 -29.3983 -29.3983 -29.2914 -29.2914 -27.6842 -27.6842 -27.6814 -27.6814 -27.6570 -27.6570 -27.6542 -27.6542 -14.3261 -14.3261 -12.8157 -12.8157 -12.8156 -12.8156 -7.8781 -7.8781 -7.8052 -7.8052 -7.5265 -7.5265 -0.3459 -0.3459 0.6316 0.6316 0.7071 0.7071 0.9171 0.9171 1.0633 1.0633 1.1019 1.1019 1.2845 1.2845 1.4476 1.4476 1.6793 1.6793 1.9772 1.9772 2.0130 2.0130 2.1880 2.1880 2.4822 2.4822 3.0896 3.0896 3.1903 3.1903 4.0137 4.0137 4.1637 4.1637 4.1994 4.1994 4.7845 4.7845 5.0492 5.0492 5.3018 5.3018 5.4424 5.4424 5.6704 5.6704 6.9365 6.9365 7.7387 7.7387 k = 0.3333 0.5774 0.3016 ( 6870 PWs) bands (ev): -65.3187 -65.3187 -63.5732 -63.5732 -63.5732 -63.5732 -38.1210 -38.1210 -36.3982 -36.3982 -36.3982 -36.3982 -29.4008 -29.4008 -29.2913 -29.2913 -27.6865 -27.6865 -27.6840 -27.6840 -27.6568 -27.6568 -27.6543 -27.6543 -14.2939 -14.2939 -12.7835 -12.7835 -12.7834 -12.7834 -7.8768 -7.8768 -7.8041 -7.8041 -7.5245 -7.5245 -0.4730 -0.4730 0.5919 0.5919 0.6674 0.6674 0.8771 0.8771 0.9942 0.9942 1.0722 1.0722 1.2052 1.2052 1.4095 1.4095 1.6663 1.6663 1.9257 1.9257 1.9612 1.9612 2.1489 2.1489 2.4414 2.4414 3.0787 3.0787 3.1810 3.1810 4.0807 4.0807 4.1984 4.1984 4.2323 4.2323 4.7913 4.7913 5.0801 5.0801 5.3055 5.3055 5.4973 5.4973 5.7451 5.7451 7.0115 7.0115 7.7785 7.7785 k = 0.3333 0.5774 0.3248 ( 6876 PWs) bands (ev): -65.3187 -65.3187 -63.5732 -63.5732 -63.5732 -63.5732 -38.1213 -38.1213 -36.3985 -36.3985 -36.3985 -36.3985 -29.4034 -29.4034 -29.2912 -29.2912 -27.6891 -27.6891 -27.6868 -27.6868 -27.6567 -27.6567 -27.6544 -27.6544 -14.2598 -14.2598 -12.7494 -12.7494 -12.7494 -12.7494 -7.8754 -7.8754 -7.8030 -7.8030 -7.5224 -7.5224 -0.6039 -0.6039 0.5512 0.5512 0.6261 0.6261 0.8150 0.8150 0.8879 0.8879 1.0692 1.0692 1.1446 1.1446 1.3729 1.3729 1.6549 1.6549 1.8735 1.8735 1.9088 1.9088 2.1154 2.1154 2.4003 2.4003 3.0699 3.0699 3.1737 3.1737 4.1451 4.1451 4.2307 4.2307 4.2628 4.2628 4.7975 4.7975 5.1068 5.1068 5.3089 5.3089 5.5602 5.5602 5.8236 5.8236 7.0890 7.0890 7.8218 7.8218 k = 0.3333 0.5774 0.3480 ( 6885 PWs) bands (ev): -65.3187 -65.3187 -63.5731 -63.5731 -63.5731 -63.5731 -38.1216 -38.1216 -36.3988 -36.3988 -36.3988 -36.3988 -29.4062 -29.4062 -29.2910 -29.2910 -27.6918 -27.6918 -27.6897 -27.6897 -27.6566 -27.6566 -27.6544 -27.6544 -14.2241 -14.2241 -12.7138 -12.7138 -12.7137 -12.7137 -7.8741 -7.8741 -7.8018 -7.8018 -7.5203 -7.5203 -0.7374 -0.7374 0.5099 0.5099 0.5836 0.5836 0.7296 0.7296 0.7728 0.7728 1.0675 1.0675 1.1049 1.1049 1.3365 1.3365 1.6446 1.6446 1.8211 1.8211 1.8562 1.8562 2.0871 2.0871 2.3591 2.3591 3.0631 3.0631 3.1681 3.1681 4.2066 4.2066 4.2604 4.2604 4.2908 4.2908 4.8031 4.8031 5.1299 5.1299 5.3122 5.3122 5.6302 5.6302 5.9056 5.9056 7.1684 7.1684 7.8685 7.8685 k = 0.3333 0.5774 0.3712 ( 6876 PWs) bands (ev): -65.3187 -65.3187 -63.5731 -63.5731 -63.5731 -63.5731 -38.1219 -38.1219 -36.3991 -36.3991 -36.3991 -36.3991 -29.4091 -29.4091 -29.2909 -29.2909 -27.6945 -27.6945 -27.6926 -27.6926 -27.6564 -27.6564 -27.6544 -27.6544 -14.1869 -14.1869 -12.6766 -12.6766 -12.6765 -12.6765 -7.8727 -7.8727 -7.8006 -7.8006 -7.5180 -7.5180 -0.8727 -0.8727 0.4681 0.4681 0.5390 0.5390 0.6284 0.6284 0.6525 0.6525 1.0662 1.0662 1.0808 1.0808 1.2994 1.2994 1.6350 1.6350 1.7690 1.7690 1.8041 1.8041 2.0637 2.0637 2.3182 2.3182 3.0579 3.0579 3.1640 3.1640 4.2649 4.2649 4.2873 4.2873 4.3163 4.3163 4.8082 4.8082 5.1500 5.1500 5.3154 5.3154 5.7059 5.7059 5.9903 5.9903 7.2493 7.2493 7.9184 7.9184 k = 0.3333 0.5774 0.3944 ( 6879 PWs) bands (ev): -65.3186 -65.3186 -63.5731 -63.5731 -63.5731 -63.5731 -38.1222 -38.1222 -36.3994 -36.3994 -36.3994 -36.3994 -29.4120 -29.4120 -29.2907 -29.2907 -27.6974 -27.6974 -27.6956 -27.6956 -27.6562 -27.6562 -27.6544 -27.6544 -14.1484 -14.1484 -12.6382 -12.6382 -12.6381 -12.6381 -7.8713 -7.8713 -7.7994 -7.7994 -7.5157 -7.5157 -1.0089 -1.0089 0.4253 0.4253 0.4823 0.4823 0.5285 0.5285 0.5299 0.5299 1.0646 1.0646 1.0661 1.0661 1.2617 1.2617 1.6257 1.6257 1.7175 1.7175 1.7531 1.7531 2.0444 2.0444 2.2782 2.2782 3.0541 3.0541 3.1612 3.1612 4.3115 4.3115 4.3184 4.3184 4.3409 4.3409 4.8129 4.8129 5.1678 5.1678 5.3187 5.3187 5.7860 5.7860 6.0774 6.0774 7.3309 7.3309 7.9712 7.9712 k = 0.3333 0.5774 0.4176 ( 6879 PWs) bands (ev): -65.3186 -65.3186 -63.5731 -63.5731 -63.5731 -63.5731 -38.1225 -38.1225 -36.3998 -36.3998 -36.3998 -36.3998 -29.4149 -29.4149 -29.2906 -29.2906 -27.7003 -27.7003 -27.6986 -27.6986 -27.6561 -27.6561 -27.6544 -27.6544 -14.1089 -14.1089 -12.5988 -12.5988 -12.5987 -12.5987 -7.8699 -7.8699 -7.7982 -7.7982 -7.5134 -7.5134 -1.1451 -1.1451 0.3737 0.3737 0.3805 0.3805 0.4145 0.4145 0.4682 0.4682 1.0569 1.0569 1.0623 1.0623 1.2237 1.2237 1.6158 1.6158 1.6669 1.6669 1.7043 1.7043 2.0285 2.0285 2.2394 2.2394 3.0517 3.0517 3.1596 3.1596 4.3330 4.3330 4.3531 4.3531 4.3783 4.3783 4.8172 4.8172 5.1837 5.1837 5.3219 5.3219 5.8696 5.8696 6.1661 6.1661 7.4129 7.4129 8.0265 8.0265 k = 0.3333 0.5774 0.4408 ( 6879 PWs) bands (ev): -65.3186 -65.3186 -63.5731 -63.5731 -63.5731 -63.5731 -38.1229 -38.1229 -36.4001 -36.4001 -36.4001 -36.4001 -29.4179 -29.4179 -29.2904 -29.2904 -27.7033 -27.7033 -27.7017 -27.7017 -27.6559 -27.6559 -27.6544 -27.6544 -14.0686 -14.0686 -12.5585 -12.5585 -12.5584 -12.5584 -7.8685 -7.8685 -7.7971 -7.7971 -7.5110 -7.5110 -1.2805 -1.2805 0.2606 0.2606 0.2683 0.2683 0.3529 0.3529 0.4238 0.4238 1.0508 1.0508 1.0584 1.0584 1.1868 1.1868 1.6024 1.6024 1.6175 1.6175 1.6609 1.6609 2.0151 2.0151 2.2024 2.2024 3.0503 3.0503 3.1589 3.1589 4.3518 4.3518 4.3719 4.3719 4.4260 4.4260 4.8212 4.8212 5.1982 5.1982 5.3251 5.3251 5.9557 5.9557 6.2561 6.2561 7.4947 7.4947 8.0841 8.0841 k = 0.3333 0.5774 0.4640 ( 6879 PWs) bands (ev): -65.3186 -65.3186 -63.5730 -63.5730 -63.5730 -63.5730 -38.1232 -38.1232 -36.4004 -36.4004 -36.4004 -36.4004 -29.4209 -29.4209 -29.2903 -29.2903 -27.7063 -27.7063 -27.7048 -27.7048 -27.6558 -27.6558 -27.6543 -27.6543 -14.0277 -14.0277 -12.5177 -12.5177 -12.5176 -12.5176 -7.8671 -7.8671 -7.7959 -7.7959 -7.5086 -7.5086 -1.4144 -1.4144 0.1377 0.1377 0.1444 0.1444 0.3111 0.3111 0.3823 0.3823 1.0468 1.0468 1.0511 1.0511 1.1530 1.1530 1.5696 1.5696 1.5775 1.5775 1.6310 1.6310 2.0032 2.0032 2.1679 2.1679 3.0498 3.0498 3.1590 3.1590 4.3680 4.3680 4.3868 4.3868 4.4719 4.4719 4.8250 4.8250 5.2116 5.2116 5.3284 5.3284 6.0435 6.0435 6.3467 6.3467 7.5757 7.5757 8.1435 8.1435 k = 0.3333 0.5774 0.4871 ( 6867 PWs) bands (ev): -65.3186 -65.3186 -63.5730 -63.5730 -63.5730 -63.5730 -38.1235 -38.1235 -36.4007 -36.4007 -36.4007 -36.4007 -29.4238 -29.4238 -29.2901 -29.2901 -27.7092 -27.7092 -27.7079 -27.7079 -27.6556 -27.6556 -27.6542 -27.6542 -13.9864 -13.9864 -12.4765 -12.4765 -12.4764 -12.4764 -7.8658 -7.8658 -7.7948 -7.7948 -7.5062 -7.5062 -1.5460 -1.5460 0.0150 0.0150 0.0202 0.0202 0.2720 0.2720 0.3424 0.3424 1.0371 1.0371 1.0439 1.0439 1.1260 1.1260 1.5233 1.5233 1.5395 1.5395 1.6162 1.6162 1.9919 1.9919 2.1366 2.1366 3.0500 3.0500 3.1598 3.1598 4.3818 4.3818 4.3991 4.3991 4.5149 4.5149 4.8285 4.8285 5.2240 5.2240 5.3316 5.3316 6.1323 6.1323 6.4375 6.4375 7.6555 7.6555 8.2042 8.2042 k = 0.3333 0.5774 0.5103 ( 6864 PWs) bands (ev): -65.3185 -65.3185 -63.5730 -63.5730 -63.5730 -63.5730 -38.1238 -38.1238 -36.4010 -36.4010 -36.4010 -36.4010 -29.4268 -29.4268 -29.2900 -29.2900 -27.7122 -27.7122 -27.7109 -27.7109 -27.6555 -27.6555 -27.6541 -27.6541 -13.9451 -13.9451 -12.4353 -12.4353 -12.4352 -12.4352 -7.8645 -7.8645 -7.7937 -7.7937 -7.5038 -7.5038 -1.6747 -1.6747 -0.1063 -0.1063 -0.1021 -0.1021 0.2344 0.2344 0.3039 0.3039 1.0138 1.0138 1.0419 1.0419 1.1090 1.1090 1.4789 1.4789 1.4975 1.4975 1.6076 1.6076 1.9797 1.9797 2.1097 2.1097 3.0509 3.0509 3.1612 3.1612 4.3933 4.3933 4.4091 4.4091 4.5548 4.5548 4.8318 4.8318 5.2357 5.2357 5.3349 5.3349 6.2214 6.2214 6.5278 6.5278 7.7335 7.7335 8.2659 8.2659 k = 0.3333 0.5774 0.5335 ( 6876 PWs) bands (ev): -65.3185 -65.3185 -63.5730 -63.5730 -63.5730 -63.5730 -38.1241 -38.1241 -36.4013 -36.4013 -36.4013 -36.4013 -29.4297 -29.4297 -29.2898 -29.2898 -27.7151 -27.7151 -27.7139 -27.7139 -27.6553 -27.6553 -27.6541 -27.6541 -13.9041 -13.9041 -12.3943 -12.3943 -12.3942 -12.3942 -7.8632 -7.8632 -7.7927 -7.7927 -7.5014 -7.5014 -1.7999 -1.7999 -0.2251 -0.2251 -0.2217 -0.2217 0.1985 0.1985 0.2669 0.2669 0.9833 0.9833 1.0403 1.0403 1.1000 1.1000 1.4366 1.4366 1.4555 1.4555 1.6010 1.6010 1.9656 1.9656 2.0880 2.0880 3.0523 3.0523 3.1630 3.1630 4.4028 4.4028 4.4171 4.4171 4.5917 4.5917 4.8350 4.8350 5.2466 5.2466 5.3381 5.3381 6.3102 6.3102 6.6172 6.6172 7.8093 7.8093 8.3279 8.3279 k = 0.3333 0.5774 0.5567 ( 6873 PWs) bands (ev): -65.3185 -65.3185 -63.5730 -63.5730 -63.5730 -63.5730 -38.1244 -38.1244 -36.4016 -36.4016 -36.4016 -36.4016 -29.4325 -29.4325 -29.2897 -29.2897 -27.7179 -27.7179 -27.7168 -27.7168 -27.6551 -27.6551 -27.6540 -27.6540 -13.8635 -13.8635 -12.3538 -12.3538 -12.3537 -12.3537 -7.8620 -7.8620 -7.7918 -7.7918 -7.4991 -7.4991 -1.9208 -1.9208 -0.3404 -0.3404 -0.3377 -0.3377 0.1641 0.1641 0.2316 0.2316 0.9495 0.9495 1.0391 1.0391 1.0955 1.0955 1.3965 1.3965 1.4150 1.4150 1.5951 1.5951 1.9490 1.9490 2.0720 2.0720 3.0541 3.0541 3.1652 3.1652 4.4103 4.4103 4.4233 4.4233 4.6255 4.6255 4.8380 4.8380 5.2569 5.2569 5.3412 5.3412 6.3980 6.3980 6.7051 6.7051 7.8824 7.8824 8.3899 8.3899 k = 0.3333 0.5774 0.5799 ( 6873 PWs) bands (ev): -65.3185 -65.3185 -63.5729 -63.5729 -63.5729 -63.5729 -38.1247 -38.1247 -36.4019 -36.4019 -36.4019 -36.4019 -29.4352 -29.4352 -29.2895 -29.2895 -27.7207 -27.7207 -27.7196 -27.7196 -27.6550 -27.6550 -27.6539 -27.6539 -13.8236 -13.8236 -12.3140 -12.3140 -12.3139 -12.3139 -7.8609 -7.8609 -7.7909 -7.7909 -7.4969 -7.4969 -2.0370 -2.0370 -0.4516 -0.4516 -0.4494 -0.4494 0.1314 0.1314 0.1979 0.1979 0.9150 0.9150 1.0379 1.0379 1.0932 1.0932 1.3588 1.3588 1.3764 1.3764 1.5896 1.5896 1.9302 1.9302 2.0613 2.0613 3.0562 3.0562 3.1676 3.1676 4.4162 4.4162 4.4280 4.4280 4.6565 4.6565 4.8409 4.8409 5.2666 5.2666 5.3442 5.3442 6.4844 6.4844 6.7911 6.7911 7.9523 7.9523 8.4513 8.4513 k = 0.3333 0.5774 0.6031 ( 6870 PWs) bands (ev): -65.3185 -65.3185 -63.5729 -63.5729 -63.5729 -63.5729 -38.1250 -38.1250 -36.4022 -36.4022 -36.4022 -36.4022 -29.4378 -29.4378 -29.2894 -29.2894 -27.7234 -27.7234 -27.7223 -27.7223 -27.6549 -27.6549 -27.6538 -27.6538 -13.7848 -13.7848 -12.2753 -12.2753 -12.2752 -12.2752 -7.8598 -7.8598 -7.7901 -7.7901 -7.4947 -7.4947 -2.1478 -2.1478 -0.5581 -0.5581 -0.5562 -0.5562 0.1006 0.1006 0.1661 0.1661 0.8812 0.8812 1.0368 1.0368 1.0920 1.0920 1.3236 1.3236 1.3400 1.3400 1.5841 1.5841 1.9102 1.9102 2.0546 2.0546 3.0586 3.0586 3.1702 3.1702 4.4206 4.4206 4.4313 4.4313 4.6846 4.6846 4.8437 4.8437 5.2758 5.2758 5.3472 5.3472 6.5688 6.5688 6.8745 6.8745 8.0188 8.0188 8.5116 8.5116 k = 0.3333 0.5774 0.6263 ( 6870 PWs) bands (ev): -65.3185 -65.3185 -63.5729 -63.5729 -63.5729 -63.5729 -38.1253 -38.1253 -36.4025 -36.4025 -36.4025 -36.4025 -29.4403 -29.4403 -29.2893 -29.2893 -27.7259 -27.7259 -27.7249 -27.7249 -27.6547 -27.6547 -27.6537 -27.6537 -13.7474 -13.7474 -12.2379 -12.2379 -12.2379 -12.2379 -7.8588 -7.8588 -7.7893 -7.7893 -7.4926 -7.4926 -2.2528 -2.2528 -0.6591 -0.6591 -0.6576 -0.6576 0.0716 0.0716 0.1363 0.1363 0.8487 0.8487 1.0354 1.0354 1.0913 1.0913 1.2911 1.2911 1.3060 1.3060 1.5786 1.5786 1.8903 1.8903 2.0509 2.0509 3.0610 3.0610 3.1729 3.1729 4.4238 4.4238 4.4335 4.4335 4.7100 4.7100 4.8463 4.8463 5.2844 5.2844 5.3500 5.3500 6.6504 6.6504 6.9548 6.9548 8.0813 8.0813 8.5703 8.5703 k = 0.3333 0.5774 0.6495 ( 6870 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5729 -63.5729 -38.1255 -38.1255 -36.4028 -36.4028 -36.4028 -36.4028 -29.4427 -29.4427 -29.2891 -29.2891 -27.7283 -27.7283 -27.7273 -27.7273 -27.6546 -27.6546 -27.6536 -27.6536 -13.7117 -13.7117 -12.2022 -12.2022 -12.2022 -12.2022 -7.8579 -7.8579 -7.7886 -7.7886 -7.4906 -7.4906 -2.3514 -2.3514 -0.7542 -0.7542 -0.7529 -0.7529 0.0447 0.0447 0.1085 0.1085 0.8180 0.8180 1.0339 1.0339 1.0908 1.0908 1.2614 1.2614 1.2745 1.2745 1.5730 1.5730 1.8713 1.8713 2.0491 2.0491 3.0636 3.0636 3.1756 3.1756 4.4258 4.4258 4.4347 4.4347 4.7328 4.7328 4.8487 4.8487 5.2923 5.2923 5.3527 5.3527 6.7288 6.7288 7.0315 7.0315 8.1396 8.1396 8.6266 8.6269 k = 0.3333 0.5774 0.6727 ( 6870 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5729 -63.5729 -38.1258 -38.1258 -36.4030 -36.4030 -36.4030 -36.4030 -29.4449 -29.4449 -29.2890 -29.2890 -27.7306 -27.7306 -27.7296 -27.7296 -27.6545 -27.6545 -27.6535 -27.6535 -13.6778 -13.6778 -12.1685 -12.1685 -12.1684 -12.1684 -7.8571 -7.8571 -7.7880 -7.7880 -7.4888 -7.4888 -2.4432 -2.4432 -0.8428 -0.8428 -0.8417 -0.8417 0.0198 0.0198 0.0828 0.0828 0.7894 0.7894 1.0320 1.0320 1.0903 1.0903 1.2346 1.2346 1.2458 1.2458 1.5673 1.5673 1.8536 1.8536 2.0486 2.0486 3.0661 3.0661 3.1783 3.1783 4.4270 4.4270 4.4351 4.4351 4.7531 4.7531 4.8510 4.8510 5.2998 5.2998 5.3552 5.3552 6.8033 6.8033 7.1040 7.1040 8.1936 8.1936 8.6230 8.6230 k = 0.3333 0.5774 0.6959 ( 6852 PWs) bands (ev): -65.3184 -65.3184 -63.5729 -63.5729 -63.5729 -63.5729 -38.1260 -38.1260 -36.4032 -36.4032 -36.4032 -36.4032 -29.4469 -29.4469 -29.2889 -29.2889 -27.7326 -27.7326 -27.7317 -27.7317 -27.6543 -27.6543 -27.6534 -27.6534 -13.6462 -13.6462 -12.1369 -12.1369 -12.1368 -12.1368 -7.8564 -7.8564 -7.7875 -7.7875 -7.4870 -7.4870 -2.5277 -2.5277 -0.9245 -0.9245 -0.9235 -0.9235 -0.0029 -0.0029 0.0594 0.0594 0.7630 0.7630 1.0297 1.0297 1.0897 1.0897 1.2109 1.2109 1.2199 1.2199 1.5615 1.5615 1.8377 1.8377 2.0490 2.0490 3.0686 3.0686 3.1809 3.1809 4.4275 4.4275 4.4350 4.4350 4.7710 4.7710 4.8532 4.8532 5.3066 5.3066 5.3575 5.3575 6.8734 6.8734 7.1718 7.1718 8.2430 8.2430 8.6186 8.6186 k = 0.3333 0.5774 0.7191 ( 6834 PWs) bands (ev): -65.3184 -65.3184 -63.5728 -63.5728 -63.5728 -63.5728 -38.1262 -38.1262 -36.4034 -36.4034 -36.4034 -36.4034 -29.4488 -29.4488 -29.2888 -29.2888 -27.7345 -27.7345 -27.7336 -27.7336 -27.6542 -27.6542 -27.6533 -27.6533 -13.6171 -13.6171 -12.1079 -12.1079 -12.1078 -12.1078 -7.8557 -7.8557 -7.7871 -7.7871 -7.4854 -7.4854 -2.6044 -2.6044 -0.9987 -0.9987 -0.9979 -0.9979 -0.0234 -0.0234 0.0382 0.0382 0.7391 0.7391 1.0269 1.0269 1.0888 1.0888 1.1904 1.1904 1.1971 1.1971 1.5557 1.5557 1.8236 1.8236 2.0498 2.0498 3.0709 3.0709 3.1834 3.1834 4.4275 4.4275 4.4345 4.4345 4.7867 4.7867 4.8551 4.8551 5.3128 5.3128 5.3596 5.3596 6.9384 6.9384 7.2342 7.2342 8.2880 8.2880 8.6134 8.6134 k = 0.3333 0.5774 0.7423 ( 6834 PWs) bands (ev): -65.3184 -65.3184 -63.5728 -63.5728 -63.5728 -63.5728 -38.1264 -38.1264 -36.4036 -36.4036 -36.4036 -36.4036 -29.4504 -29.4504 -29.2887 -29.2887 -27.7362 -27.7362 -27.7353 -27.7353 -27.6541 -27.6541 -27.6532 -27.6532 -13.5907 -13.5907 -12.0815 -12.0815 -12.0815 -12.0815 -7.8552 -7.8552 -7.7867 -7.7867 -7.4840 -7.4840 -2.6731 -2.6731 -1.0653 -1.0653 -1.0645 -1.0645 -0.0416 -0.0416 0.0194 0.0194 0.7178 0.7178 1.0236 1.0236 1.0874 1.0874 1.1730 1.1730 1.1775 1.1775 1.5501 1.5501 1.8115 1.8115 2.0510 2.0510 3.0731 3.0731 3.1857 3.1857 4.4271 4.4271 4.4337 4.4337 4.8003 4.8003 4.8568 4.8568 5.3183 5.3183 5.3615 5.3615 6.9977 6.9977 7.2909 7.2909 8.3284 8.3284 8.6073 8.6073 k = 0.3333 0.5774 0.7655 ( 6828 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1265 -38.1265 -36.4037 -36.4037 -36.4037 -36.4037 -29.4519 -29.4519 -29.2886 -29.2886 -27.7377 -27.7377 -27.7368 -27.7368 -27.6541 -27.6541 -27.6532 -27.6532 -13.5673 -13.5673 -12.0582 -12.0582 -12.0581 -12.0581 -7.8547 -7.8547 -7.7863 -7.7863 -7.4828 -7.4828 -2.7334 -2.7334 -1.1237 -1.1237 -1.1230 -1.1230 -0.0574 -0.0574 0.0030 0.0030 0.6991 0.6991 1.0199 1.0199 1.0854 1.0854 1.1587 1.1587 1.1613 1.1613 1.5448 1.5448 1.8012 1.8012 2.0522 2.0522 3.0751 3.0751 3.1878 3.1878 4.4265 4.4265 4.4327 4.4327 4.8119 4.8119 4.8584 4.8584 5.3232 5.3232 5.3632 5.3632 7.0506 7.0506 7.3412 7.3412 8.3646 8.3646 8.6005 8.6005 k = 0.3333 0.5774 0.7887 ( 6828 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1266 -38.1266 -36.4039 -36.4039 -36.4039 -36.4039 -29.4532 -29.4532 -29.2886 -29.2886 -27.7390 -27.7390 -27.7381 -27.7381 -27.6540 -27.6540 -27.6531 -27.6531 -13.5472 -13.5472 -12.0380 -12.0380 -12.0380 -12.0380 -7.8543 -7.8543 -7.7861 -7.7861 -7.4817 -7.4817 -2.7850 -2.7850 -1.1736 -1.1736 -1.1730 -1.1730 -0.0709 -0.0709 -0.0109 -0.0109 0.6832 0.6832 1.0160 1.0160 1.0826 1.0826 1.1474 1.1474 1.1485 1.1485 1.5400 1.5400 1.7928 1.7928 2.0535 2.0535 3.0769 3.0769 3.1896 3.1896 4.4258 4.4258 4.4316 4.4316 4.8215 4.8215 4.8597 4.8597 5.3273 5.3273 5.3646 5.3646 7.0966 7.0966 7.3847 7.3847 8.3966 8.3966 8.5928 8.5928 k = 0.3333 0.5774 0.8119 ( 6840 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1268 -38.1268 -36.4040 -36.4040 -36.4040 -36.4040 -29.4542 -29.4542 -29.2885 -29.2885 -27.7401 -27.7401 -27.7392 -27.7392 -27.6539 -27.6539 -27.6531 -27.6531 -13.5304 -13.5304 -12.0213 -12.0213 -12.0212 -12.0212 -7.8539 -7.8539 -7.7858 -7.7858 -7.4808 -7.4808 -2.8275 -2.8275 -1.2149 -1.2149 -1.2143 -1.2143 -0.0820 -0.0820 -0.0224 -0.0224 0.6701 0.6701 1.0122 1.0122 1.0793 1.0793 1.1387 1.1387 1.1392 1.1392 1.5357 1.5357 1.7861 1.7861 2.0546 2.0546 3.0784 3.0784 3.1912 3.1912 4.4250 4.4250 4.4307 4.4307 4.8292 4.8292 4.8608 4.8608 5.3308 5.3308 5.3658 5.3658 7.1351 7.1351 7.4210 7.4210 8.4245 8.4245 8.5844 8.5844 k = 0.3333 0.5774 0.8351 ( 6843 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1269 -38.1269 -36.4041 -36.4041 -36.4041 -36.4041 -29.4551 -29.4551 -29.2885 -29.2885 -27.7409 -27.7409 -27.7401 -27.7401 -27.6539 -27.6539 -27.6530 -27.6530 -13.5171 -13.5171 -12.0081 -12.0081 -12.0080 -12.0080 -7.8537 -7.8537 -7.7857 -7.7857 -7.4801 -7.4801 -2.8608 -2.8608 -1.2472 -1.2472 -1.2467 -1.2467 -0.0907 -0.0907 -0.0313 -0.0313 0.6599 0.6599 1.0088 1.0088 1.0758 1.0758 1.1323 1.1323 1.1328 1.1328 1.5323 1.5323 1.7810 1.7810 2.0555 2.0555 3.0795 3.0795 3.1924 3.1924 4.4244 4.4244 4.4298 4.4298 4.8351 4.8351 4.8617 4.8617 5.3335 5.3335 5.3667 5.3667 7.1657 7.1657 7.4496 7.4496 8.4483 8.4483 8.5755 8.5755 k = 0.3333 0.5774 0.8583 ( 6828 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1269 -38.1269 -36.4041 -36.4041 -36.4041 -36.4041 -29.4556 -29.4556 -29.2884 -29.2884 -27.7415 -27.7415 -27.7407 -27.7407 -27.6538 -27.6538 -27.6530 -27.6530 -13.5076 -13.5076 -11.9985 -11.9985 -11.9985 -11.9985 -7.8535 -7.8535 -7.7856 -7.7856 -7.4796 -7.4796 -2.8848 -2.8848 -1.2704 -1.2704 -1.2699 -1.2699 -0.0969 -0.0969 -0.0377 -0.0377 0.6526 0.6526 1.0061 1.0061 1.0727 1.0727 1.1281 1.1281 1.1288 1.1288 1.5297 1.5297 1.7775 1.7775 2.0562 2.0562 3.0804 3.0804 3.1933 3.1933 4.4239 4.4239 4.4292 4.4292 4.8393 4.8393 4.8623 4.8623 5.3355 5.3355 5.3673 5.3673 7.1878 7.1878 7.4703 7.4703 8.4676 8.4676 8.5667 8.5667 k = 0.3333 0.5774 0.8815 ( 6837 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4042 -36.4042 -36.4042 -36.4042 -29.4560 -29.4560 -29.2884 -29.2884 -27.7419 -27.7419 -27.7410 -27.7410 -27.6538 -27.6538 -27.6530 -27.6530 -13.5018 -13.5018 -11.9928 -11.9928 -11.9927 -11.9927 -7.8534 -7.8534 -7.7855 -7.7855 -7.4793 -7.4793 -2.8992 -2.8992 -1.2844 -1.2844 -1.2839 -1.2839 -0.1006 -0.1006 -0.0416 -0.0416 0.6481 0.6481 1.0044 1.0044 1.0707 1.0707 1.1256 1.1256 1.1266 1.1266 1.5281 1.5281 1.7754 1.7754 2.0567 2.0567 3.0809 3.0809 3.1938 3.1938 4.4235 4.4235 4.4288 4.4288 4.8418 4.8418 4.8627 4.8627 5.3366 5.3366 5.3677 5.3677 7.2012 7.2012 7.4828 7.4828 8.4811 8.4811 8.5594 8.5594 k = 0.3333 0.5774 0.9047 ( 6828 PWs) bands (ev): -65.3183 -65.3183 -63.5728 -63.5728 -63.5728 -63.5728 -38.1270 -38.1270 -36.4042 -36.4042 -36.4042 -36.4042 -29.4561 -29.4561 -29.2884 -29.2884 -27.7420 -27.7420 -27.7411 -27.7411 -27.6538 -27.6538 -27.6530 -27.6530 -13.4999 -13.4999 -11.9909 -11.9909 -11.9908 -11.9908 -7.8534 -7.8534 -7.7855 -7.7855 -7.4792 -7.4792 -2.9040 -2.9040 -1.2890 -1.2890 -1.2886 -1.2886 -0.1019 -0.1019 -0.0429 -0.0429 0.6467 0.6467 1.0038 1.0038 1.0699 1.0699 1.1248 1.1248 1.1259 1.1259 1.5276 1.5276 1.7747 1.7747 2.0568 2.0568 3.0811 3.0811 3.1940 3.1940 4.4234 4.4234 4.4287 4.4287 4.8427 4.8427 4.8628 4.8628 5.3370 5.3370 5.3679 5.3679 7.2057 7.2057 7.4869 7.4869 8.4862 8.4862 8.5564 8.5564 Writing output data file TaNO.save init_run : 0.40s CPU 0.54s WALL ( 1 calls) electrons : 314.90s CPU 318.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 314.90s CPU 318.90s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.10s WALL ( 264 calls) cegterg : 292.04s CPU 295.21s WALL ( 332 calls) Called by sum_band: Called by *egterg: h_psi : 144.15s CPU 145.98s WALL ( 5606 calls) s_psi : 10.03s CPU 10.10s WALL ( 5606 calls) g_psi : 0.49s CPU 0.50s WALL ( 5010 calls) cdiaghg : 111.92s CPU 113.26s WALL ( 5274 calls) cegterg:over : 16.83s CPU 17.06s WALL ( 5010 calls) cegterg:upda : 15.20s CPU 15.27s WALL ( 5010 calls) cegterg:last : 7.55s CPU 7.54s WALL ( 860 calls) cdiaghg:chol : 6.84s CPU 6.82s WALL ( 5274 calls) cdiaghg:inve : 4.94s CPU 5.07s WALL ( 5274 calls) cdiaghg:para : 9.13s CPU 9.34s WALL ( 10548 calls) Called by h_psi: h_psi:vloc : 121.53s CPU 123.18s WALL ( 5606 calls) h_psi:vnl : 22.05s CPU 22.25s WALL ( 5606 calls) add_vuspsi : 11.32s CPU 11.34s WALL ( 5606 calls) General routines calbec : 10.72s CPU 10.90s WALL ( 5606 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 110.48s CPU 111.95s WALL ( 1021904 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.27s CPU 0.45s WALL ( 528 calls) Parallel routines fft_scatter : 38.48s CPU 39.11s WALL ( 1021927 calls) PWSCF : 5m42.54s CPU 6m 1.48s WALL This run was terminated on: 21: 3:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=