Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:18: 3 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: ./TiTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 32 9 1474 1474 224 Max 33 33 11 1481 1481 229 Sum 1159 1159 337 53175 53175 8161 bravais-lattice index = 14 lattice parameter (alat) = 7.2452 a.u. unit-cell volume = 548.9493 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.245209 celldm(2)= 1.000000 celldm(3)= 1.666667 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.666667 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.600000 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Ti 12.00 47.86700 Ti( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8333333 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8333333 ) 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8333333 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8333333 ) 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8333333 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8333333 ) 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 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8333333 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8333333 ) 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 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8333333 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8333333 ) 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 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8333333 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8333333 ) 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= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0104167 0.0060141 -0.0000000), wk = 0.0028902 k( 3) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0028902 k( 4) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0028902 k( 5) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0028902 k( 6) = ( 0.0520833 0.0300703 -0.0000000), wk = 0.0028902 k( 7) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0028902 k( 8) = ( 0.0729167 0.0420985 -0.0000000), wk = 0.0028902 k( 9) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0028902 k( 10) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0028902 k( 11) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0028902 k( 12) = ( 0.1145833 0.0661547 -0.0000000), wk = 0.0028902 k( 13) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0028902 k( 14) = ( 0.1354167 0.0781829 -0.0000000), wk = 0.0028902 k( 15) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0028902 k( 16) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0028902 k( 17) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0028902 k( 18) = ( 0.1770833 0.1022391 -0.0000000), wk = 0.0028902 k( 19) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0028902 k( 20) = ( 0.1979167 0.1142672 -0.0000000), wk = 0.0028902 k( 21) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0028902 k( 22) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0028902 k( 23) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0028902 k( 24) = ( 0.2395833 0.1383235 -0.0000000), wk = 0.0028902 k( 25) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0028902 k( 26) = ( 0.2604167 0.1503516 -0.0000000), wk = 0.0028902 k( 27) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0028902 k( 28) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0028902 k( 29) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0028902 k( 30) = ( 0.3020833 0.1744079 -0.0000000), wk = 0.0028902 k( 31) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0028902 k( 32) = ( 0.3229167 0.1864360 -0.0000000), wk = 0.0028902 k( 33) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0028902 k( 34) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0028902 k( 35) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0028902 k( 36) = ( 0.3645833 0.2104923 -0.0000000), wk = 0.0028902 k( 37) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0028902 k( 38) = ( 0.3854167 0.2225204 -0.0000000), wk = 0.0028902 k( 39) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0028902 k( 40) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0028902 k( 41) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0028902 k( 42) = ( 0.4270833 0.2465767 -0.0000000), wk = 0.0028902 k( 43) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0028902 k( 44) = ( 0.4479167 0.2586048 -0.0000000), wk = 0.0028902 k( 45) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0028902 k( 46) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0028902 k( 47) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0028902 k( 48) = ( 0.4895833 0.2826611 -0.0000000), wk = 0.0028902 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028902 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028902 k( 51) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0028902 k( 52) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0028902 k( 53) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0028902 k( 54) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0028902 k( 55) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0028902 k( 56) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0028902 k( 57) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0028902 k( 58) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0028902 k( 59) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0028902 k( 60) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0028902 k( 61) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0028902 k( 62) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0028902 k( 63) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0028902 k( 64) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028902 k( 65) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0028902 k( 66) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0028902 k( 67) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0028902 k( 68) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0028902 k( 69) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0028902 k( 70) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0028902 k( 71) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0028902 k( 72) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0028902 k( 73) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0028902 k( 74) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0028902 k( 75) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0028902 k( 76) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0028902 k( 77) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0028902 k( 78) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028902 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028902 k( 80) = ( 0.3272727 0.5668530 -0.0000000), wk = 0.0028902 k( 81) = ( 0.3212121 0.5563557 -0.0000000), wk = 0.0028902 k( 82) = ( 0.3151515 0.5458584 -0.0000000), wk = 0.0028902 k( 83) = ( 0.3090909 0.5353612 -0.0000000), wk = 0.0028902 k( 84) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0028902 k( 85) = ( 0.2969697 0.5143666 -0.0000000), wk = 0.0028902 k( 86) = ( 0.2909091 0.5038693 -0.0000000), wk = 0.0028902 k( 87) = ( 0.2848485 0.4933720 -0.0000000), wk = 0.0028902 k( 88) = ( 0.2787879 0.4828748 -0.0000000), wk = 0.0028902 k( 89) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0028902 k( 90) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0028902 k( 91) = ( 0.2606061 0.4513829 -0.0000000), wk = 0.0028902 k( 92) = ( 0.2545455 0.4408857 -0.0000000), wk = 0.0028902 k( 93) = ( 0.2484849 0.4303884 -0.0000000), wk = 0.0028902 k( 94) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0028902 k( 95) = ( 0.2363636 0.4093938 -0.0000000), wk = 0.0028902 k( 96) = ( 0.2303030 0.3988965 -0.0000000), wk = 0.0028902 k( 97) = ( 0.2242424 0.3883993 -0.0000000), wk = 0.0028902 k( 98) = ( 0.2181818 0.3779020 -0.0000000), wk = 0.0028902 k( 99) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0028902 k( 100) = ( 0.2060606 0.3569074 -0.0000000), wk = 0.0028902 k( 101) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0028902 k( 102) = ( 0.1939394 0.3359129 -0.0000000), wk = 0.0028902 k( 103) = ( 0.1878788 0.3254156 -0.0000000), wk = 0.0028902 k( 104) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0028902 k( 105) = ( 0.1757576 0.3044211 -0.0000000), wk = 0.0028902 k( 106) = ( 0.1696970 0.2939238 -0.0000000), wk = 0.0028902 k( 107) = ( 0.1636364 0.2834265 -0.0000000), wk = 0.0028902 k( 108) = ( 0.1575758 0.2729292 -0.0000000), wk = 0.0028902 k( 109) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0028902 k( 110) = ( 0.1454545 0.2519347 -0.0000000), wk = 0.0028902 k( 111) = ( 0.1393939 0.2414374 -0.0000000), wk = 0.0028902 k( 112) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0028902 k( 113) = ( 0.1272727 0.2204428 -0.0000000), wk = 0.0028902 k( 114) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0028902 k( 115) = ( 0.1151515 0.1994483 -0.0000000), wk = 0.0028902 k( 116) = ( 0.1090909 0.1889510 -0.0000000), wk = 0.0028902 k( 117) = ( 0.1030303 0.1784537 -0.0000000), wk = 0.0028902 k( 118) = ( 0.0969697 0.1679564 -0.0000000), wk = 0.0028902 k( 119) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0028902 k( 120) = ( 0.0848485 0.1469619 -0.0000000), wk = 0.0028902 k( 121) = ( 0.0787879 0.1364646 -0.0000000), wk = 0.0028902 k( 122) = ( 0.0727273 0.1259673 -0.0000000), wk = 0.0028902 k( 123) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0028902 k( 124) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0028902 k( 125) = ( 0.0545455 0.0944755 -0.0000000), wk = 0.0028902 k( 126) = ( 0.0484849 0.0839782 -0.0000000), wk = 0.0028902 k( 127) = ( 0.0424242 0.0734809 -0.0000000), wk = 0.0028902 k( 128) = ( 0.0363636 0.0629837 -0.0000000), wk = 0.0028902 k( 129) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0028902 k( 130) = ( 0.0242424 0.0419891 -0.0000000), wk = 0.0028902 k( 131) = ( 0.0181818 0.0314918 -0.0000000), wk = 0.0028902 k( 132) = ( 0.0121212 0.0209946 -0.0000000), wk = 0.0028902 k( 133) = ( 0.0060606 0.0104973 -0.0000000), wk = 0.0028902 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 136) = ( 0.0000000 0.0000000 0.0120000), wk = 0.0028902 k( 137) = ( 0.0000000 0.0000000 0.0240000), wk = 0.0028902 k( 138) = ( 0.0000000 0.0000000 0.0360000), wk = 0.0028902 k( 139) = ( 0.0000000 0.0000000 0.0480000), wk = 0.0028902 k( 140) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0028902 k( 141) = ( 0.0000000 0.0000000 0.0720000), wk = 0.0028902 k( 142) = ( 0.0000000 0.0000000 0.0840000), wk = 0.0028902 k( 143) = ( 0.0000000 0.0000000 0.0960000), wk = 0.0028902 k( 144) = ( 0.0000000 0.0000000 0.1080000), wk = 0.0028902 k( 145) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0028902 k( 146) = ( 0.0000000 0.0000000 0.1320000), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.1440000), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.1560000), wk = 0.0028902 k( 149) = ( 0.0000000 0.0000000 0.1680000), wk = 0.0028902 k( 150) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0028902 k( 151) = ( 0.0000000 0.0000000 0.1920000), wk = 0.0028902 k( 152) = ( 0.0000000 0.0000000 0.2040000), wk = 0.0028902 k( 153) = ( 0.0000000 0.0000000 0.2160000), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.2280000), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.2520000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.2640000), wk = 0.0028902 k( 158) = ( 0.0000000 0.0000000 0.2760000), wk = 0.0028902 k( 159) = ( 0.0000000 0.0000000 0.2880000), wk = 0.0028902 k( 160) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028902 k( 161) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028902 k( 162) = ( 0.0104167 0.0060141 0.3000000), wk = 0.0028902 k( 163) = ( 0.0208333 0.0120281 0.3000000), wk = 0.0028902 k( 164) = ( 0.0312500 0.0180422 0.3000000), wk = 0.0028902 k( 165) = ( 0.0416667 0.0240563 0.3000000), wk = 0.0028902 k( 166) = ( 0.0520833 0.0300703 0.3000000), wk = 0.0028902 k( 167) = ( 0.0625000 0.0360844 0.3000000), wk = 0.0028902 k( 168) = ( 0.0729167 0.0420985 0.3000000), wk = 0.0028902 k( 169) = ( 0.0833333 0.0481125 0.3000000), wk = 0.0028902 k( 170) = ( 0.0937500 0.0541266 0.3000000), wk = 0.0028902 k( 171) = ( 0.1041667 0.0601407 0.3000000), wk = 0.0028902 k( 172) = ( 0.1145833 0.0661547 0.3000000), wk = 0.0028902 k( 173) = ( 0.1250000 0.0721688 0.3000000), wk = 0.0028902 k( 174) = ( 0.1354167 0.0781829 0.3000000), wk = 0.0028902 k( 175) = ( 0.1458333 0.0841969 0.3000000), wk = 0.0028902 k( 176) = ( 0.1562500 0.0902110 0.3000000), wk = 0.0028902 k( 177) = ( 0.1666667 0.0962250 0.3000000), wk = 0.0028902 k( 178) = ( 0.1770833 0.1022391 0.3000000), wk = 0.0028902 k( 179) = ( 0.1875000 0.1082532 0.3000000), wk = 0.0028902 k( 180) = ( 0.1979167 0.1142672 0.3000000), wk = 0.0028902 k( 181) = ( 0.2083333 0.1202813 0.3000000), wk = 0.0028902 k( 182) = ( 0.2187500 0.1262954 0.3000000), wk = 0.0028902 k( 183) = ( 0.2291667 0.1323094 0.3000000), wk = 0.0028902 k( 184) = ( 0.2395833 0.1383235 0.3000000), wk = 0.0028902 k( 185) = ( 0.2500000 0.1443376 0.3000000), wk = 0.0028902 k( 186) = ( 0.2604167 0.1503516 0.3000000), wk = 0.0028902 k( 187) = ( 0.2708333 0.1563657 0.3000000), wk = 0.0028902 k( 188) = ( 0.2812500 0.1623798 0.3000000), wk = 0.0028902 k( 189) = ( 0.2916667 0.1683938 0.3000000), wk = 0.0028902 k( 190) = ( 0.3020833 0.1744079 0.3000000), wk = 0.0028902 k( 191) = ( 0.3125000 0.1804220 0.3000000), wk = 0.0028902 k( 192) = ( 0.3229167 0.1864360 0.3000000), wk = 0.0028902 k( 193) = ( 0.3333333 0.1924501 0.3000000), wk = 0.0028902 k( 194) = ( 0.3437500 0.1984642 0.3000000), wk = 0.0028902 k( 195) = ( 0.3541667 0.2044782 0.3000000), wk = 0.0028902 k( 196) = ( 0.3645833 0.2104923 0.3000000), wk = 0.0028902 k( 197) = ( 0.3750000 0.2165064 0.3000000), wk = 0.0028902 k( 198) = ( 0.3854167 0.2225204 0.3000000), wk = 0.0028902 k( 199) = ( 0.3958333 0.2285345 0.3000000), wk = 0.0028902 k( 200) = ( 0.4062500 0.2345485 0.3000000), wk = 0.0028902 k( 201) = ( 0.4166667 0.2405626 0.3000000), wk = 0.0028902 k( 202) = ( 0.4270833 0.2465767 0.3000000), wk = 0.0028902 k( 203) = ( 0.4375000 0.2525907 0.3000000), wk = 0.0028902 k( 204) = ( 0.4479167 0.2586048 0.3000000), wk = 0.0028902 k( 205) = ( 0.4583333 0.2646189 0.3000000), wk = 0.0028902 k( 206) = ( 0.4687500 0.2706329 0.3000000), wk = 0.0028902 k( 207) = ( 0.4791667 0.2766470 0.3000000), wk = 0.0028902 k( 208) = ( 0.4895833 0.2826611 0.3000000), wk = 0.0028902 k( 209) = ( 0.5000000 0.2886751 0.3000000), wk = 0.0028902 k( 210) = ( 0.5000000 0.2886751 0.3000000), wk = 0.0028902 k( 211) = ( 0.4940476 0.2989850 0.3000000), wk = 0.0028902 k( 212) = ( 0.4880952 0.3092948 0.3000000), wk = 0.0028902 k( 213) = ( 0.4821429 0.3196046 0.3000000), wk = 0.0028902 k( 214) = ( 0.4761905 0.3299144 0.3000000), wk = 0.0028902 k( 215) = ( 0.4702381 0.3402243 0.3000000), wk = 0.0028902 k( 216) = ( 0.4642857 0.3505341 0.3000000), wk = 0.0028902 k( 217) = ( 0.4583333 0.3608439 0.3000000), wk = 0.0028902 k( 218) = ( 0.4523810 0.3711537 0.3000000), wk = 0.0028902 k( 219) = ( 0.4464286 0.3814636 0.3000000), wk = 0.0028902 k( 220) = ( 0.4404762 0.3917734 0.3000000), wk = 0.0028902 k( 221) = ( 0.4345238 0.4020832 0.3000000), wk = 0.0028902 k( 222) = ( 0.4285714 0.4123930 0.3000000), wk = 0.0028902 k( 223) = ( 0.4226190 0.4227029 0.3000000), wk = 0.0028902 k( 224) = ( 0.4166667 0.4330127 0.3000000), wk = 0.0028902 k( 225) = ( 0.4107143 0.4433225 0.3000000), wk = 0.0028902 k( 226) = ( 0.4047619 0.4536324 0.3000000), wk = 0.0028902 k( 227) = ( 0.3988095 0.4639422 0.3000000), wk = 0.0028902 k( 228) = ( 0.3928571 0.4742520 0.3000000), wk = 0.0028902 k( 229) = ( 0.3869048 0.4845618 0.3000000), wk = 0.0028902 k( 230) = ( 0.3809524 0.4948717 0.3000000), wk = 0.0028902 k( 231) = ( 0.3750000 0.5051815 0.3000000), wk = 0.0028902 k( 232) = ( 0.3690476 0.5154913 0.3000000), wk = 0.0028902 k( 233) = ( 0.3630952 0.5258011 0.3000000), wk = 0.0028902 k( 234) = ( 0.3571429 0.5361110 0.3000000), wk = 0.0028902 k( 235) = ( 0.3511905 0.5464208 0.3000000), wk = 0.0028902 k( 236) = ( 0.3452381 0.5567306 0.3000000), wk = 0.0028902 k( 237) = ( 0.3392857 0.5670404 0.3000000), wk = 0.0028902 k( 238) = ( 0.3333333 0.5773503 0.3000000), wk = 0.0028902 k( 239) = ( 0.3333333 0.5773503 0.3000000), wk = 0.0028902 k( 240) = ( 0.3272727 0.5668530 0.3000000), wk = 0.0028902 k( 241) = ( 0.3212121 0.5563557 0.3000000), wk = 0.0028902 k( 242) = ( 0.3151515 0.5458584 0.3000000), wk = 0.0028902 k( 243) = ( 0.3090909 0.5353612 0.3000000), wk = 0.0028902 k( 244) = ( 0.3030303 0.5248639 0.3000000), wk = 0.0028902 k( 245) = ( 0.2969697 0.5143666 0.3000000), wk = 0.0028902 k( 246) = ( 0.2909091 0.5038693 0.3000000), wk = 0.0028902 k( 247) = ( 0.2848485 0.4933720 0.3000000), wk = 0.0028902 k( 248) = ( 0.2787879 0.4828748 0.3000000), wk = 0.0028902 k( 249) = ( 0.2727273 0.4723775 0.3000000), wk = 0.0028902 k( 250) = ( 0.2666667 0.4618802 0.3000000), wk = 0.0028902 k( 251) = ( 0.2606061 0.4513829 0.3000000), wk = 0.0028902 k( 252) = ( 0.2545455 0.4408857 0.3000000), wk = 0.0028902 k( 253) = ( 0.2484849 0.4303884 0.3000000), wk = 0.0028902 k( 254) = ( 0.2424242 0.4198911 0.3000000), wk = 0.0028902 k( 255) = ( 0.2363636 0.4093938 0.3000000), wk = 0.0028902 k( 256) = ( 0.2303030 0.3988965 0.3000000), wk = 0.0028902 k( 257) = ( 0.2242424 0.3883993 0.3000000), wk = 0.0028902 k( 258) = ( 0.2181818 0.3779020 0.3000000), wk = 0.0028902 k( 259) = ( 0.2121212 0.3674047 0.3000000), wk = 0.0028902 k( 260) = ( 0.2060606 0.3569074 0.3000000), wk = 0.0028902 k( 261) = ( 0.2000000 0.3464102 0.3000000), wk = 0.0028902 k( 262) = ( 0.1939394 0.3359129 0.3000000), wk = 0.0028902 k( 263) = ( 0.1878788 0.3254156 0.3000000), wk = 0.0028902 k( 264) = ( 0.1818182 0.3149183 0.3000000), wk = 0.0028902 k( 265) = ( 0.1757576 0.3044211 0.3000000), wk = 0.0028902 k( 266) = ( 0.1696970 0.2939238 0.3000000), wk = 0.0028902 k( 267) = ( 0.1636364 0.2834265 0.3000000), wk = 0.0028902 k( 268) = ( 0.1575758 0.2729292 0.3000000), wk = 0.0028902 k( 269) = ( 0.1515151 0.2624319 0.3000000), wk = 0.0028902 k( 270) = ( 0.1454545 0.2519347 0.3000000), wk = 0.0028902 k( 271) = ( 0.1393939 0.2414374 0.3000000), wk = 0.0028902 k( 272) = ( 0.1333333 0.2309401 0.3000000), wk = 0.0028902 k( 273) = ( 0.1272727 0.2204428 0.3000000), wk = 0.0028902 k( 274) = ( 0.1212121 0.2099456 0.3000000), wk = 0.0028902 k( 275) = ( 0.1151515 0.1994483 0.3000000), wk = 0.0028902 k( 276) = ( 0.1090909 0.1889510 0.3000000), wk = 0.0028902 k( 277) = ( 0.1030303 0.1784537 0.3000000), wk = 0.0028902 k( 278) = ( 0.0969697 0.1679564 0.3000000), wk = 0.0028902 k( 279) = ( 0.0909091 0.1574592 0.3000000), wk = 0.0028902 k( 280) = ( 0.0848485 0.1469619 0.3000000), wk = 0.0028902 k( 281) = ( 0.0787879 0.1364646 0.3000000), wk = 0.0028902 k( 282) = ( 0.0727273 0.1259673 0.3000000), wk = 0.0028902 k( 283) = ( 0.0666667 0.1154701 0.3000000), wk = 0.0028902 k( 284) = ( 0.0606061 0.1049728 0.3000000), wk = 0.0028902 k( 285) = ( 0.0545455 0.0944755 0.3000000), wk = 0.0028902 k( 286) = ( 0.0484849 0.0839782 0.3000000), wk = 0.0028902 k( 287) = ( 0.0424242 0.0734809 0.3000000), wk = 0.0028902 k( 288) = ( 0.0363636 0.0629837 0.3000000), wk = 0.0028902 k( 289) = ( 0.0303030 0.0524864 0.3000000), wk = 0.0028902 k( 290) = ( 0.0242424 0.0419891 0.3000000), wk = 0.0028902 k( 291) = ( 0.0181818 0.0314918 0.3000000), wk = 0.0028902 k( 292) = ( 0.0121212 0.0209946 0.3000000), wk = 0.0028902 k( 293) = ( 0.0060606 0.0104973 0.3000000), wk = 0.0028902 k( 294) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028902 k( 295) = ( 0.5000000 0.2886751 0.3000000), wk = 0.0028902 k( 296) = ( 0.5000000 0.2886751 0.2880000), wk = 0.0028902 k( 297) = ( 0.5000000 0.2886751 0.2760000), wk = 0.0028902 k( 298) = ( 0.5000000 0.2886751 0.2640000), wk = 0.0028902 k( 299) = ( 0.5000000 0.2886751 0.2520000), wk = 0.0028902 k( 300) = ( 0.5000000 0.2886751 0.2400000), wk = 0.0028902 k( 301) = ( 0.5000000 0.2886751 0.2280000), wk = 0.0028902 k( 302) = ( 0.5000000 0.2886751 0.2160000), wk = 0.0028902 k( 303) = ( 0.5000000 0.2886751 0.2040000), wk = 0.0028902 k( 304) = ( 0.5000000 0.2886751 0.1920000), wk = 0.0028902 k( 305) = ( 0.5000000 0.2886751 0.1800000), wk = 0.0028902 k( 306) = ( 0.5000000 0.2886751 0.1680000), wk = 0.0028902 k( 307) = ( 0.5000000 0.2886751 0.1560000), wk = 0.0028902 k( 308) = ( 0.5000000 0.2886751 0.1440000), wk = 0.0028902 k( 309) = ( 0.5000000 0.2886751 0.1320000), wk = 0.0028902 k( 310) = ( 0.5000000 0.2886751 0.1200000), wk = 0.0028902 k( 311) = ( 0.5000000 0.2886751 0.1080000), wk = 0.0028902 k( 312) = ( 0.5000000 0.2886751 0.0960000), wk = 0.0028902 k( 313) = ( 0.5000000 0.2886751 0.0840000), wk = 0.0028902 k( 314) = ( 0.5000000 0.2886751 0.0720000), wk = 0.0028902 k( 315) = ( 0.5000000 0.2886751 0.0600000), wk = 0.0028902 k( 316) = ( 0.5000000 0.2886751 0.0480000), wk = 0.0028902 k( 317) = ( 0.5000000 0.2886751 0.0360000), wk = 0.0028902 k( 318) = ( 0.5000000 0.2886751 0.0240000), wk = 0.0028902 k( 319) = ( 0.5000000 0.2886751 0.0120000), wk = 0.0028902 k( 320) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028902 k( 321) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028902 k( 322) = ( 0.3333333 0.5773503 0.0120000), wk = 0.0028902 k( 323) = ( 0.3333333 0.5773503 0.0240000), wk = 0.0028902 k( 324) = ( 0.3333333 0.5773503 0.0360000), wk = 0.0028902 k( 325) = ( 0.3333333 0.5773503 0.0480000), wk = 0.0028902 k( 326) = ( 0.3333333 0.5773503 0.0600000), wk = 0.0028902 k( 327) = ( 0.3333333 0.5773503 0.0720000), wk = 0.0028902 k( 328) = ( 0.3333333 0.5773503 0.0840000), wk = 0.0028902 k( 329) = ( 0.3333333 0.5773503 0.0960000), wk = 0.0028902 k( 330) = ( 0.3333333 0.5773503 0.1080000), wk = 0.0028902 k( 331) = ( 0.3333333 0.5773503 0.1200000), wk = 0.0028902 k( 332) = ( 0.3333333 0.5773503 0.1320000), wk = 0.0028902 k( 333) = ( 0.3333333 0.5773503 0.1440000), wk = 0.0028902 k( 334) = ( 0.3333333 0.5773503 0.1560000), wk = 0.0028902 k( 335) = ( 0.3333333 0.5773503 0.1680000), wk = 0.0028902 k( 336) = ( 0.3333333 0.5773503 0.1800000), wk = 0.0028902 k( 337) = ( 0.3333333 0.5773503 0.1920000), wk = 0.0028902 k( 338) = ( 0.3333333 0.5773503 0.2040000), wk = 0.0028902 k( 339) = ( 0.3333333 0.5773503 0.2160000), wk = 0.0028902 k( 340) = ( 0.3333333 0.5773503 0.2280000), wk = 0.0028902 k( 341) = ( 0.3333333 0.5773503 0.2400000), wk = 0.0028902 k( 342) = ( 0.3333333 0.5773503 0.2520000), wk = 0.0028902 k( 343) = ( 0.3333333 0.5773503 0.2640000), wk = 0.0028902 k( 344) = ( 0.3333333 0.5773503 0.2760000), wk = 0.0028902 k( 345) = ( 0.3333333 0.5773503 0.2880000), wk = 0.0028902 k( 346) = ( 0.3333333 0.5773503 0.3000000), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0104167 0.0000000 0.0000000), wk = 0.0028902 k( 3) = ( 0.0208333 -0.0000000 -0.0000000), wk = 0.0028902 k( 4) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0028902 k( 5) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0028902 k( 6) = ( 0.0520833 0.0000000 0.0000000), wk = 0.0028902 k( 7) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0028902 k( 8) = ( 0.0729167 -0.0000000 -0.0000000), wk = 0.0028902 k( 9) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0028902 k( 10) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0028902 k( 11) = ( 0.1041667 0.0000000 0.0000000), wk = 0.0028902 k( 12) = ( 0.1145833 -0.0000000 0.0000000), wk = 0.0028902 k( 13) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0028902 k( 14) = ( 0.1354167 -0.0000000 -0.0000000), wk = 0.0028902 k( 15) = ( 0.1458333 -0.0000000 0.0000000), wk = 0.0028902 k( 16) = ( 0.1562500 -0.0000000 -0.0000000), wk = 0.0028902 k( 17) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0028902 k( 18) = ( 0.1770833 0.0000000 -0.0000000), wk = 0.0028902 k( 19) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0028902 k( 20) = ( 0.1979167 0.0000000 0.0000000), wk = 0.0028902 k( 21) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0028902 k( 22) = ( 0.2187500 0.0000000 0.0000000), wk = 0.0028902 k( 23) = ( 0.2291667 0.0000000 0.0000000), wk = 0.0028902 k( 24) = ( 0.2395833 -0.0000000 -0.0000000), wk = 0.0028902 k( 25) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0028902 k( 26) = ( 0.2604167 0.0000000 0.0000000), wk = 0.0028902 k( 27) = ( 0.2708333 0.0000000 0.0000000), wk = 0.0028902 k( 28) = ( 0.2812500 -0.0000000 -0.0000000), wk = 0.0028902 k( 29) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0028902 k( 30) = ( 0.3020833 0.0000000 0.0000000), wk = 0.0028902 k( 31) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0028902 k( 32) = ( 0.3229167 -0.0000000 0.0000000), wk = 0.0028902 k( 33) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0028902 k( 34) = ( 0.3437500 0.0000000 0.0000000), wk = 0.0028902 k( 35) = ( 0.3541667 0.0000000 -0.0000000), wk = 0.0028902 k( 36) = ( 0.3645833 0.0000000 0.0000000), wk = 0.0028902 k( 37) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0028902 k( 38) = ( 0.3854167 0.0000000 0.0000000), wk = 0.0028902 k( 39) = ( 0.3958333 0.0000000 0.0000000), wk = 0.0028902 k( 40) = ( 0.4062500 0.0000000 -0.0000000), wk = 0.0028902 k( 41) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0028902 k( 42) = ( 0.4270833 -0.0000000 -0.0000000), wk = 0.0028902 k( 43) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0028902 k( 44) = ( 0.4479167 0.0000000 0.0000000), wk = 0.0028902 k( 45) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0028902 k( 46) = ( 0.4687500 -0.0000000 0.0000000), wk = 0.0028902 k( 47) = ( 0.4791667 -0.0000000 -0.0000000), wk = 0.0028902 k( 48) = ( 0.4895833 -0.0000000 -0.0000000), wk = 0.0028902 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028902 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028902 k( 51) = ( 0.4940476 0.0119048 0.0000000), wk = 0.0028902 k( 52) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0028902 k( 53) = ( 0.4821429 0.0357143 0.0000000), wk = 0.0028902 k( 54) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0028902 k( 55) = ( 0.4702381 0.0595238 0.0000000), wk = 0.0028902 k( 56) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0028902 k( 57) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0028902 k( 58) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0028902 k( 59) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0028902 k( 60) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0028902 k( 61) = ( 0.4345238 0.1309524 0.0000000), wk = 0.0028902 k( 62) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0028902 k( 63) = ( 0.4226190 0.1547619 0.0000000), wk = 0.0028902 k( 64) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0028902 k( 65) = ( 0.4107143 0.1785714 0.0000000), wk = 0.0028902 k( 66) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0028902 k( 67) = ( 0.3988095 0.2023810 -0.0000000), wk = 0.0028902 k( 68) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0028902 k( 69) = ( 0.3869048 0.2261905 -0.0000000), wk = 0.0028902 k( 70) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0028902 k( 71) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0028902 k( 72) = ( 0.3690476 0.2619048 -0.0000000), wk = 0.0028902 k( 73) = ( 0.3630952 0.2738095 -0.0000000), wk = 0.0028902 k( 74) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0028902 k( 75) = ( 0.3511905 0.2976191 -0.0000000), wk = 0.0028902 k( 76) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0028902 k( 77) = ( 0.3392857 0.3214286 0.0000000), wk = 0.0028902 k( 78) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028902 k( 79) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028902 k( 80) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0028902 k( 81) = ( 0.3212121 0.3212121 0.0000000), wk = 0.0028902 k( 82) = ( 0.3151515 0.3151515 0.0000000), wk = 0.0028902 k( 83) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0028902 k( 84) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0028902 k( 85) = ( 0.2969697 0.2969697 0.0000000), wk = 0.0028902 k( 86) = ( 0.2909091 0.2909091 0.0000000), wk = 0.0028902 k( 87) = ( 0.2848485 0.2848485 0.0000000), wk = 0.0028902 k( 88) = ( 0.2787879 0.2787879 0.0000000), wk = 0.0028902 k( 89) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0028902 k( 90) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0028902 k( 91) = ( 0.2606061 0.2606061 0.0000000), wk = 0.0028902 k( 92) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0028902 k( 93) = ( 0.2484849 0.2484849 0.0000000), wk = 0.0028902 k( 94) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0028902 k( 95) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0028902 k( 96) = ( 0.2303030 0.2303030 0.0000000), wk = 0.0028902 k( 97) = ( 0.2242424 0.2242424 0.0000000), wk = 0.0028902 k( 98) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0028902 k( 99) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0028902 k( 100) = ( 0.2060606 0.2060606 -0.0000000), wk = 0.0028902 k( 101) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0028902 k( 102) = ( 0.1939394 0.1939394 0.0000000), wk = 0.0028902 k( 103) = ( 0.1878788 0.1878788 -0.0000000), wk = 0.0028902 k( 104) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0028902 k( 105) = ( 0.1757576 0.1757576 0.0000000), wk = 0.0028902 k( 106) = ( 0.1696970 0.1696970 0.0000000), wk = 0.0028902 k( 107) = ( 0.1636364 0.1636364 0.0000000), wk = 0.0028902 k( 108) = ( 0.1575758 0.1575758 0.0000000), wk = 0.0028902 k( 109) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0028902 k( 110) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0028902 k( 111) = ( 0.1393939 0.1393939 0.0000000), wk = 0.0028902 k( 112) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0028902 k( 113) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0028902 k( 114) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0028902 k( 115) = ( 0.1151515 0.1151515 0.0000000), wk = 0.0028902 k( 116) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0028902 k( 117) = ( 0.1030303 0.1030303 0.0000000), wk = 0.0028902 k( 118) = ( 0.0969697 0.0969697 0.0000000), wk = 0.0028902 k( 119) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0028902 k( 120) = ( 0.0848485 0.0848485 0.0000000), wk = 0.0028902 k( 121) = ( 0.0787879 0.0787879 0.0000000), wk = 0.0028902 k( 122) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0028902 k( 123) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0028902 k( 124) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0028902 k( 125) = ( 0.0545455 0.0545455 -0.0000000), wk = 0.0028902 k( 126) = ( 0.0484849 0.0484849 0.0000000), wk = 0.0028902 k( 127) = ( 0.0424242 0.0424242 0.0000000), wk = 0.0028902 k( 128) = ( 0.0363636 0.0363636 0.0000000), wk = 0.0028902 k( 129) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0028902 k( 130) = ( 0.0242424 0.0242424 0.0000000), wk = 0.0028902 k( 131) = ( 0.0181818 0.0181818 0.0000000), wk = 0.0028902 k( 132) = ( 0.0121212 0.0121212 0.0000000), wk = 0.0028902 k( 133) = ( 0.0060606 0.0060606 0.0000000), wk = 0.0028902 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 136) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0028902 k( 137) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0028902 k( 138) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0028902 k( 139) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0028902 k( 140) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028902 k( 141) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0028902 k( 142) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0028902 k( 143) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0028902 k( 144) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0028902 k( 145) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028902 k( 146) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0028902 k( 149) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0028902 k( 150) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028902 k( 151) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0028902 k( 152) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0028902 k( 153) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0028902 k( 158) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0028902 k( 159) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0028902 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 162) = ( 0.0104167 0.0000000 0.5000000), wk = 0.0028902 k( 163) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0028902 k( 164) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0028902 k( 165) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0028902 k( 166) = ( 0.0520833 0.0000000 0.5000000), wk = 0.0028902 k( 167) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0028902 k( 168) = ( 0.0729167 -0.0000000 0.5000000), wk = 0.0028902 k( 169) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0028902 k( 170) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0028902 k( 171) = ( 0.1041667 0.0000000 0.5000000), wk = 0.0028902 k( 172) = ( 0.1145833 -0.0000000 0.5000000), wk = 0.0028902 k( 173) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0028902 k( 174) = ( 0.1354167 -0.0000000 0.5000000), wk = 0.0028902 k( 175) = ( 0.1458333 -0.0000000 0.5000000), wk = 0.0028902 k( 176) = ( 0.1562500 -0.0000000 0.5000000), wk = 0.0028902 k( 177) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0028902 k( 178) = ( 0.1770833 0.0000000 0.5000000), wk = 0.0028902 k( 179) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0028902 k( 180) = ( 0.1979167 0.0000000 0.5000000), wk = 0.0028902 k( 181) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0028902 k( 182) = ( 0.2187500 0.0000000 0.5000000), wk = 0.0028902 k( 183) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0028902 k( 184) = ( 0.2395833 -0.0000000 0.5000000), wk = 0.0028902 k( 185) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0028902 k( 186) = ( 0.2604167 0.0000000 0.5000000), wk = 0.0028902 k( 187) = ( 0.2708333 0.0000000 0.5000000), wk = 0.0028902 k( 188) = ( 0.2812500 -0.0000000 0.5000000), wk = 0.0028902 k( 189) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0028902 k( 190) = ( 0.3020833 0.0000000 0.5000000), wk = 0.0028902 k( 191) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0028902 k( 192) = ( 0.3229167 -0.0000000 0.5000000), wk = 0.0028902 k( 193) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0028902 k( 194) = ( 0.3437500 0.0000000 0.5000000), wk = 0.0028902 k( 195) = ( 0.3541667 0.0000000 0.5000000), wk = 0.0028902 k( 196) = ( 0.3645833 0.0000000 0.5000000), wk = 0.0028902 k( 197) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0028902 k( 198) = ( 0.3854167 0.0000000 0.5000000), wk = 0.0028902 k( 199) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0028902 k( 200) = ( 0.4062500 0.0000000 0.5000000), wk = 0.0028902 k( 201) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0028902 k( 202) = ( 0.4270833 -0.0000000 0.5000000), wk = 0.0028902 k( 203) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0028902 k( 204) = ( 0.4479167 0.0000000 0.5000000), wk = 0.0028902 k( 205) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0028902 k( 206) = ( 0.4687500 -0.0000000 0.5000000), wk = 0.0028902 k( 207) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0028902 k( 208) = ( 0.4895833 -0.0000000 0.5000000), wk = 0.0028902 k( 209) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 211) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0028902 k( 212) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0028902 k( 213) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0028902 k( 214) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0028902 k( 215) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0028902 k( 216) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0028902 k( 217) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0028902 k( 218) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0028902 k( 219) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0028902 k( 220) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0028902 k( 221) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0028902 k( 222) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0028902 k( 223) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0028902 k( 224) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028902 k( 225) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0028902 k( 226) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0028902 k( 227) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0028902 k( 228) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0028902 k( 229) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0028902 k( 230) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0028902 k( 231) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0028902 k( 232) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0028902 k( 233) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0028902 k( 234) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0028902 k( 235) = ( 0.3511905 0.2976191 0.5000000), wk = 0.0028902 k( 236) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0028902 k( 237) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0028902 k( 238) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028902 k( 239) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028902 k( 240) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0028902 k( 241) = ( 0.3212121 0.3212121 0.5000000), wk = 0.0028902 k( 242) = ( 0.3151515 0.3151515 0.5000000), wk = 0.0028902 k( 243) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0028902 k( 244) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0028902 k( 245) = ( 0.2969697 0.2969697 0.5000000), wk = 0.0028902 k( 246) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0028902 k( 247) = ( 0.2848485 0.2848485 0.5000000), wk = 0.0028902 k( 248) = ( 0.2787879 0.2787879 0.5000000), wk = 0.0028902 k( 249) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0028902 k( 250) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0028902 k( 251) = ( 0.2606061 0.2606061 0.5000000), wk = 0.0028902 k( 252) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0028902 k( 253) = ( 0.2484849 0.2484849 0.5000000), wk = 0.0028902 k( 254) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0028902 k( 255) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0028902 k( 256) = ( 0.2303030 0.2303030 0.5000000), wk = 0.0028902 k( 257) = ( 0.2242424 0.2242424 0.5000000), wk = 0.0028902 k( 258) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0028902 k( 259) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0028902 k( 260) = ( 0.2060606 0.2060606 0.5000000), wk = 0.0028902 k( 261) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0028902 k( 262) = ( 0.1939394 0.1939394 0.5000000), wk = 0.0028902 k( 263) = ( 0.1878788 0.1878788 0.5000000), wk = 0.0028902 k( 264) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0028902 k( 265) = ( 0.1757576 0.1757576 0.5000000), wk = 0.0028902 k( 266) = ( 0.1696970 0.1696970 0.5000000), wk = 0.0028902 k( 267) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0028902 k( 268) = ( 0.1575758 0.1575758 0.5000000), wk = 0.0028902 k( 269) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0028902 k( 270) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0028902 k( 271) = ( 0.1393939 0.1393939 0.5000000), wk = 0.0028902 k( 272) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0028902 k( 273) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0028902 k( 274) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0028902 k( 275) = ( 0.1151515 0.1151515 0.5000000), wk = 0.0028902 k( 276) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0028902 k( 277) = ( 0.1030303 0.1030303 0.5000000), wk = 0.0028902 k( 278) = ( 0.0969697 0.0969697 0.5000000), wk = 0.0028902 k( 279) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0028902 k( 280) = ( 0.0848485 0.0848485 0.5000000), wk = 0.0028902 k( 281) = ( 0.0787879 0.0787879 0.5000000), wk = 0.0028902 k( 282) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0028902 k( 283) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0028902 k( 284) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0028902 k( 285) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0028902 k( 286) = ( 0.0484849 0.0484849 0.5000000), wk = 0.0028902 k( 287) = ( 0.0424242 0.0424242 0.5000000), wk = 0.0028902 k( 288) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0028902 k( 289) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0028902 k( 290) = ( 0.0242424 0.0242424 0.5000000), wk = 0.0028902 k( 291) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0028902 k( 292) = ( 0.0121212 0.0121212 0.5000000), wk = 0.0028902 k( 293) = ( 0.0060606 0.0060606 0.5000000), wk = 0.0028902 k( 294) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 295) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 296) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0028902 k( 297) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0028902 k( 298) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0028902 k( 299) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0028902 k( 300) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0028902 k( 301) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0028902 k( 302) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0028902 k( 303) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0028902 k( 304) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0028902 k( 305) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0028902 k( 306) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0028902 k( 307) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0028902 k( 308) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0028902 k( 309) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0028902 k( 310) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0028902 k( 311) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0028902 k( 312) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0028902 k( 313) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0028902 k( 314) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0028902 k( 315) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0028902 k( 316) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0028902 k( 317) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0028902 k( 318) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0028902 k( 319) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0028902 k( 320) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028902 k( 321) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028902 k( 322) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0028902 k( 323) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0028902 k( 324) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0028902 k( 325) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0028902 k( 326) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0028902 k( 327) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0028902 k( 328) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0028902 k( 329) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0028902 k( 330) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0028902 k( 331) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0028902 k( 332) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0028902 k( 333) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0028902 k( 334) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0028902 k( 335) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0028902 k( 336) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0028902 k( 337) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0028902 k( 338) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0028902 k( 339) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0028902 k( 340) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0028902 k( 341) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0028902 k( 342) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0028902 k( 343) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0028902 k( 344) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0028902 k( 345) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0028902 k( 346) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028902 Dense grid: 53175 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 386, 44) NL pseudopotentials 0.40 Mb ( 193, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1478) G-vector shells 0.01 Mb ( 656) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.04 Mb ( 386, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./TiTe.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 28 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.9 secs Computing kpt #: 7 total cpu time spent up to now is 9.0 secs Computing kpt #: 8 total cpu time spent up to now is 9.9 secs Computing kpt #: 9 total cpu time spent up to now is 11.0 secs Computing kpt #: 10 total cpu time spent up to now is 11.8 secs Computing kpt #: 11 total cpu time spent up to now is 12.6 secs Computing kpt #: 12 total cpu time spent up to now is 13.5 secs Computing kpt #: 13 total cpu time spent up to now is 14.4 secs Computing kpt #: 14 total cpu time spent up to now is 15.3 secs Computing kpt #: 15 total cpu time spent up to now is 16.2 secs Computing kpt #: 16 total cpu time spent up to now is 17.1 secs Computing kpt #: 17 total cpu time spent up to now is 18.0 secs Computing kpt #: 18 total cpu time spent up to now is 18.9 secs Computing kpt #: 19 total cpu time spent up to now is 19.7 secs Computing kpt #: 20 total cpu time spent up to now is 20.5 secs Computing kpt #: 21 total cpu time spent up to now is 21.4 secs Computing kpt #: 22 total cpu time spent up to now is 22.2 secs Computing kpt #: 23 total cpu time spent up to now is 23.1 secs Computing kpt #: 24 total cpu time spent up to now is 23.9 secs Computing kpt #: 25 total cpu time spent up to now is 24.7 secs Computing kpt #: 26 total cpu time spent up to now is 25.5 secs Computing kpt #: 27 total cpu time spent up to now is 26.3 secs Computing kpt #: 28 total cpu time spent up to now is 27.1 secs Computing kpt #: 29 total cpu time spent up to now is 27.9 secs Computing kpt #: 30 total cpu time spent up to now is 28.8 secs Computing kpt #: 31 total cpu time spent up to now is 29.6 secs Computing kpt #: 32 total cpu time spent up to now is 30.5 secs Computing kpt #: 33 total cpu time spent up to now is 31.3 secs Computing kpt #: 34 total cpu time spent up to now is 32.1 secs Computing kpt #: 35 total cpu time spent up to now is 33.0 secs Computing kpt #: 36 total cpu time spent up to now is 33.8 secs Computing kpt #: 37 total cpu time spent up to now is 34.7 secs Computing kpt #: 38 total cpu time spent up to now is 35.5 secs Computing kpt #: 39 total cpu time spent up to now is 36.3 secs Computing kpt #: 40 total cpu time spent up to now is 37.2 secs Computing kpt #: 41 total cpu time spent up to now is 38.0 secs Computing kpt #: 42 total cpu time spent up to now is 38.8 secs Computing kpt #: 43 total cpu time spent up to now is 39.7 secs Computing kpt #: 44 total cpu time spent up to now is 40.5 secs Computing kpt #: 45 total cpu time spent up to now is 41.4 secs Computing kpt #: 46 total cpu time spent up to now is 42.2 secs Computing kpt #: 47 total cpu time spent up to now is 43.0 secs Computing kpt #: 48 total cpu time spent up to now is 43.9 secs Computing kpt #: 49 total cpu time spent up to now is 44.7 secs Computing kpt #: 50 total cpu time spent up to now is 45.5 secs Computing kpt #: 51 total cpu time spent up to now is 46.3 secs Computing kpt #: 52 total cpu time spent up to now is 47.1 secs Computing kpt #: 53 total cpu time spent up to now is 48.0 secs Computing kpt #: 54 total cpu time spent up to now is 48.8 secs Computing kpt #: 55 total cpu time spent up to now is 49.6 secs Computing kpt #: 56 total cpu time spent up to now is 50.5 secs Computing kpt #: 57 total cpu time spent up to now is 51.3 secs Computing kpt #: 58 total cpu time spent up to now is 52.2 secs Computing kpt #: 59 total cpu time spent up to now is 53.1 secs Computing kpt #: 60 total cpu time spent up to now is 53.9 secs Computing kpt #: 61 total cpu time spent up to now is 54.8 secs Computing kpt #: 62 total cpu time spent up to now is 55.6 secs Computing kpt #: 63 total cpu time spent up to now is 56.5 secs Computing kpt #: 64 total cpu time spent up to now is 57.3 secs Computing kpt #: 65 total cpu time spent up to now is 58.5 secs Computing kpt #: 66 total cpu time spent up to now is 59.4 secs Computing kpt #: 67 total cpu time spent up to now is 60.2 secs Computing kpt #: 68 total cpu time spent up to now is 61.1 secs Computing kpt #: 69 total cpu time spent up to now is 61.9 secs Computing kpt #: 70 total cpu time spent up to now is 62.8 secs Computing kpt #: 71 total cpu time spent up to now is 63.7 secs Computing kpt #: 72 total cpu time spent up to now is 64.5 secs Computing kpt #: 73 total cpu time spent up to now is 65.4 secs Computing kpt #: 74 total cpu time spent up to now is 66.1 secs Computing kpt #: 75 total cpu time spent up to now is 66.9 secs Computing kpt #: 76 total cpu time spent up to now is 67.6 secs Computing kpt #: 77 total cpu time spent up to now is 68.3 secs Computing kpt #: 78 total cpu time spent up to now is 69.0 secs Computing kpt #: 79 total cpu time spent up to now is 69.8 secs Computing kpt #: 80 total cpu time spent up to now is 70.5 secs Computing kpt #: 81 total cpu time spent up to now is 71.3 secs Computing kpt #: 82 total cpu time spent up to now is 72.1 secs Computing kpt #: 83 total cpu time spent up to now is 72.9 secs Computing kpt #: 84 total cpu time spent up to now is 73.7 secs Computing kpt #: 85 total cpu time spent up to now is 74.6 secs Computing kpt #: 86 total cpu time spent up to now is 75.5 secs Computing kpt #: 87 total cpu time spent up to now is 76.3 secs Computing kpt #: 88 total cpu time spent up to now is 77.2 secs Computing kpt #: 89 total cpu time spent up to now is 78.1 secs Computing kpt #: 90 total cpu time spent up to now is 79.0 secs Computing kpt #: 91 total cpu time spent up to now is 79.9 secs Computing kpt #: 92 total cpu time spent up to now is 80.7 secs Computing kpt #: 93 total cpu time spent up to now is 81.6 secs Computing kpt #: 94 total cpu time spent up to now is 82.4 secs Computing kpt #: 95 total cpu time spent up to now is 83.3 secs Computing kpt #: 96 total cpu time spent up to now is 84.1 secs Computing kpt #: 97 total cpu time spent up to now is 84.9 secs Computing kpt #: 98 total cpu time spent up to now is 85.7 secs Computing kpt #: 99 total cpu time spent up to now is 86.5 secs Computing kpt #: 100 total cpu time spent up to now is 87.3 secs Computing kpt #: 101 total cpu time spent up to now is 88.0 secs Computing kpt #: 102 total cpu time spent up to now is 88.9 secs Computing kpt #: 103 total cpu time spent up to now is 89.7 secs Computing kpt #: 104 total cpu time spent up to now is 90.4 secs Computing kpt #: 105 total cpu time spent up to now is 91.2 secs Computing kpt #: 106 total cpu time spent up to now is 92.0 secs Computing kpt #: 107 total cpu time spent up to now is 92.8 secs Computing kpt #: 108 total cpu time spent up to now is 93.6 secs Computing kpt #: 109 total cpu time spent up to now is 94.4 secs Computing kpt #: 110 total cpu time spent up to now is 95.2 secs Computing kpt #: 111 total cpu time spent up to now is 96.0 secs Computing kpt #: 112 total cpu time spent up to now is 96.7 secs Computing kpt #: 113 total cpu time spent up to now is 97.5 secs Computing kpt #: 114 total cpu time spent up to now is 98.3 secs Computing kpt #: 115 total cpu time spent up to now is 99.1 secs Computing kpt #: 116 total cpu time spent up to now is 99.9 secs Computing kpt #: 117 total cpu time spent up to now is 100.7 secs Computing kpt #: 118 total cpu time spent up to now is 101.6 secs Computing kpt #: 119 total cpu time spent up to now is 102.4 secs Computing kpt #: 120 total cpu time spent up to now is 103.2 secs Computing kpt #: 121 total cpu time spent up to now is 104.1 secs Computing kpt #: 122 total cpu time spent up to now is 105.0 secs Computing kpt #: 123 total cpu time spent up to now is 105.9 secs Computing kpt #: 124 total cpu time spent up to now is 106.7 secs Computing kpt #: 125 total cpu time spent up to now is 107.6 secs Computing kpt #: 126 total cpu time spent up to now is 108.4 secs Computing kpt #: 127 total cpu time spent up to now is 109.4 secs Computing kpt #: 128 total cpu time spent up to now is 110.5 secs Computing kpt #: 129 total cpu time spent up to now is 111.7 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.2 secs Computing kpt #: 131 total cpu time spent up to now is 114.2 secs Computing kpt #: 132 total cpu time spent up to now is 115.2 secs Computing kpt #: 133 total cpu time spent up to now is 116.1 secs Computing kpt #: 134 total cpu time spent up to now is 117.6 secs Computing kpt #: 135 total cpu time spent up to now is 118.9 secs Computing kpt #: 136 total cpu time spent up to now is 119.9 secs Computing kpt #: 137 total cpu time spent up to now is 121.4 secs Computing kpt #: 138 total cpu time spent up to now is 122.7 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.2 secs Computing kpt #: 140 total cpu time spent up to now is 125.7 secs Computing kpt #: 141 total cpu time spent up to now is 126.8 secs Computing kpt #: 142 total cpu time spent up to now is 127.7 secs Computing kpt #: 143 total cpu time spent up to now is 128.8 secs Computing kpt #: 144 total cpu time spent up to now is 129.8 secs Computing kpt #: 145 total cpu time spent up to now is 130.7 secs Computing kpt #: 146 total cpu time spent up to now is 131.6 secs Computing kpt #: 147 total cpu time spent up to now is 132.6 secs Computing kpt #: 148 total cpu time spent up to now is 133.5 secs Computing kpt #: 149 total cpu time spent up to now is 134.5 secs Computing kpt #: 150 total cpu time spent up to now is 135.3 secs Computing kpt #: 151 total cpu time spent up to now is 136.1 secs Computing kpt #: 152 total cpu time spent up to now is 136.8 secs Computing kpt #: 153 total cpu time spent up to now is 137.6 secs Computing kpt #: 154 total cpu time spent up to now is 138.3 secs Computing kpt #: 155 total cpu time spent up to now is 139.0 secs Computing kpt #: 156 total cpu time spent up to now is 139.7 secs Computing kpt #: 157 total cpu time spent up to now is 140.3 secs Computing kpt #: 158 total cpu time spent up to now is 141.0 secs Computing kpt #: 159 total cpu time spent up to now is 141.7 secs Computing kpt #: 160 total cpu time spent up to now is 142.4 secs Computing kpt #: 161 total cpu time spent up to now is 143.0 secs Computing kpt #: 162 total cpu time spent up to now is 143.7 secs Computing kpt #: 163 total cpu time spent up to now is 144.4 secs Computing kpt #: 164 total cpu time spent up to now is 145.0 secs Computing kpt #: 165 total cpu time spent up to now is 145.7 secs Computing kpt #: 166 total cpu time spent up to now is 146.4 secs Computing kpt #: 167 total cpu time spent up to now is 147.0 secs Computing kpt #: 168 total cpu time spent up to now is 147.7 secs Computing kpt #: 169 total cpu time spent up to now is 148.4 secs Computing kpt #: 170 total cpu time spent up to now is 149.1 secs Computing kpt #: 171 total cpu time spent up to now is 149.9 secs Computing kpt #: 172 total cpu time spent up to now is 150.9 secs Computing kpt #: 173 total cpu time spent up to now is 151.6 secs Computing kpt #: 174 total cpu time spent up to now is 152.3 secs Computing kpt #: 175 total cpu time spent up to now is 153.0 secs Computing kpt #: 176 total cpu time spent up to now is 153.7 secs Computing kpt #: 177 total cpu time spent up to now is 154.4 secs Computing kpt #: 178 total cpu time spent up to now is 155.2 secs Computing kpt #: 179 total cpu time spent up to now is 155.9 secs Computing kpt #: 180 total cpu time spent up to now is 156.6 secs Computing kpt #: 181 total cpu time spent up to now is 157.4 secs Computing kpt #: 182 total cpu time spent up to now is 158.1 secs Computing kpt #: 183 total cpu time spent up to now is 158.9 secs Computing kpt #: 184 total cpu time spent up to now is 159.7 secs Computing kpt #: 185 total cpu time spent up to now is 160.4 secs Computing kpt #: 186 total cpu time spent up to now is 161.2 secs Computing kpt #: 187 total cpu time spent up to now is 162.0 secs Computing kpt #: 188 total cpu time spent up to now is 162.7 secs Computing kpt #: 189 total cpu time spent up to now is 163.5 secs Computing kpt #: 190 total cpu time spent up to now is 164.2 secs Computing kpt #: 191 total cpu time spent up to now is 164.9 secs Computing kpt #: 192 total cpu time spent up to now is 165.7 secs Computing kpt #: 193 total cpu time spent up to now is 166.4 secs Computing kpt #: 194 total cpu time spent up to now is 167.1 secs Computing kpt #: 195 total cpu time spent up to now is 167.9 secs Computing kpt #: 196 total cpu time spent up to now is 168.6 secs Computing kpt #: 197 total cpu time spent up to now is 169.4 secs Computing kpt #: 198 total cpu time spent up to now is 170.1 secs Computing kpt #: 199 total cpu time spent up to now is 170.9 secs Computing kpt #: 200 total cpu time spent up to now is 171.7 secs Computing kpt #: 201 total cpu time spent up to now is 172.5 secs Computing kpt #: 202 total cpu time spent up to now is 173.3 secs Computing kpt #: 203 total cpu time spent up to now is 174.1 secs Computing kpt #: 204 total cpu time spent up to now is 174.9 secs Computing kpt #: 205 total cpu time spent up to now is 175.8 secs Computing kpt #: 206 total cpu time spent up to now is 176.6 secs Computing kpt #: 207 total cpu time spent up to now is 177.4 secs Computing kpt #: 208 total cpu time spent up to now is 178.2 secs Computing kpt #: 209 total cpu time spent up to now is 179.0 secs Computing kpt #: 210 total cpu time spent up to now is 179.8 secs Computing kpt #: 211 total cpu time spent up to now is 180.7 secs Computing kpt #: 212 total cpu time spent up to now is 181.5 secs Computing kpt #: 213 total cpu time spent up to now is 182.3 secs Computing kpt #: 214 total cpu time spent up to now is 183.2 secs Computing kpt #: 215 total cpu time spent up to now is 184.0 secs Computing kpt #: 216 total cpu time spent up to now is 184.8 secs Computing kpt #: 217 total cpu time spent up to now is 185.6 secs Computing kpt #: 218 total cpu time spent up to now is 186.4 secs Computing kpt #: 219 total cpu time spent up to now is 187.2 secs Computing kpt #: 220 total cpu time spent up to now is 188.1 secs Computing kpt #: 221 total cpu time spent up to now is 188.9 secs Computing kpt #: 222 total cpu time spent up to now is 189.7 secs Computing kpt #: 223 total cpu time spent up to now is 190.5 secs Computing kpt #: 224 total cpu time spent up to now is 191.3 secs Computing kpt #: 225 total cpu time spent up to now is 192.1 secs Computing kpt #: 226 total cpu time spent up to now is 192.9 secs Computing kpt #: 227 total cpu time spent up to now is 193.7 secs Computing kpt #: 228 total cpu time spent up to now is 194.5 secs Computing kpt #: 229 total cpu time spent up to now is 195.3 secs Computing kpt #: 230 total cpu time spent up to now is 196.1 secs Computing kpt #: 231 total cpu time spent up to now is 197.0 secs Computing kpt #: 232 total cpu time spent up to now is 197.8 secs Computing kpt #: 233 total cpu time spent up to now is 198.6 secs Computing kpt #: 234 total cpu time spent up to now is 199.5 secs Computing kpt #: 235 total cpu time spent up to now is 200.3 secs Computing kpt #: 236 total cpu time spent up to now is 201.1 secs Computing kpt #: 237 total cpu time spent up to now is 202.0 secs Computing kpt #: 238 total cpu time spent up to now is 202.8 secs Computing kpt #: 239 total cpu time spent up to now is 203.7 secs Computing kpt #: 240 total cpu time spent up to now is 204.5 secs Computing kpt #: 241 total cpu time spent up to now is 205.4 secs Computing kpt #: 242 total cpu time spent up to now is 206.2 secs Computing kpt #: 243 total cpu time spent up to now is 207.1 secs Computing kpt #: 244 total cpu time spent up to now is 207.8 secs Computing kpt #: 245 total cpu time spent up to now is 208.7 secs Computing kpt #: 246 total cpu time spent up to now is 209.5 secs Computing kpt #: 247 total cpu time spent up to now is 210.3 secs Computing kpt #: 248 total cpu time spent up to now is 211.2 secs Computing kpt #: 249 total cpu time spent up to now is 212.0 secs Computing kpt #: 250 total cpu time spent up to now is 212.8 secs Computing kpt #: 251 total cpu time spent up to now is 213.7 secs Computing kpt #: 252 total cpu time spent up to now is 214.5 secs Computing kpt #: 253 total cpu time spent up to now is 215.3 secs Computing kpt #: 254 total cpu time spent up to now is 216.1 secs Computing kpt #: 255 total cpu time spent up to now is 216.9 secs Computing kpt #: 256 total cpu time spent up to now is 217.7 secs Computing kpt #: 257 total cpu time spent up to now is 218.5 secs Computing kpt #: 258 total cpu time spent up to now is 219.3 secs Computing kpt #: 259 total cpu time spent up to now is 220.1 secs Computing kpt #: 260 total cpu time spent up to now is 220.9 secs Computing kpt #: 261 total cpu time spent up to now is 221.7 secs Computing kpt #: 262 total cpu time spent up to now is 222.5 secs Computing kpt #: 263 total cpu time spent up to now is 223.3 secs Computing kpt #: 264 total cpu time spent up to now is 224.1 secs Computing kpt #: 265 total cpu time spent up to now is 224.9 secs Computing kpt #: 266 total cpu time spent up to now is 225.7 secs Computing kpt #: 267 total cpu time spent up to now is 226.6 secs Computing kpt #: 268 total cpu time spent up to now is 227.4 secs Computing kpt #: 269 total cpu time spent up to now is 228.2 secs Computing kpt #: 270 total cpu time spent up to now is 229.0 secs Computing kpt #: 271 total cpu time spent up to now is 229.8 secs Computing kpt #: 272 total cpu time spent up to now is 230.6 secs Computing kpt #: 273 total cpu time spent up to now is 231.3 secs Computing kpt #: 274 total cpu time spent up to now is 232.1 secs Computing kpt #: 275 total cpu time spent up to now is 232.8 secs Computing kpt #: 276 total cpu time spent up to now is 233.6 secs Computing kpt #: 277 total cpu time spent up to now is 234.3 secs Computing kpt #: 278 total cpu time spent up to now is 235.0 secs Computing kpt #: 279 total cpu time spent up to now is 235.7 secs Computing kpt #: 280 total cpu time spent up to now is 236.3 secs Computing kpt #: 281 total cpu time spent up to now is 237.0 secs Computing kpt #: 282 total cpu time spent up to now is 237.7 secs Computing kpt #: 283 total cpu time spent up to now is 238.4 secs Computing kpt #: 284 total cpu time spent up to now is 239.0 secs Computing kpt #: 285 total cpu time spent up to now is 239.7 secs Computing kpt #: 286 total cpu time spent up to now is 240.4 secs Computing kpt #: 287 total cpu time spent up to now is 241.1 secs Computing kpt #: 288 total cpu time spent up to now is 241.7 secs Computing kpt #: 289 total cpu time spent up to now is 242.4 secs Computing kpt #: 290 total cpu time spent up to now is 243.1 secs Computing kpt #: 291 total cpu time spent up to now is 243.7 secs Computing kpt #: 292 total cpu time spent up to now is 244.4 secs Computing kpt #: 293 total cpu time spent up to now is 245.0 secs Computing kpt #: 294 total cpu time spent up to now is 245.7 secs Computing kpt #: 295 total cpu time spent up to now is 246.5 secs Computing kpt #: 296 total cpu time spent up to now is 247.3 secs Computing kpt #: 297 total cpu time spent up to now is 248.2 secs Computing kpt #: 298 total cpu time spent up to now is 249.0 secs Computing kpt #: 299 total cpu time spent up to now is 249.8 secs Computing kpt #: 300 total cpu time spent up to now is 250.6 secs Computing kpt #: 301 total cpu time spent up to now is 251.5 secs Computing kpt #: 302 total cpu time spent up to now is 252.3 secs Computing kpt #: 303 total cpu time spent up to now is 253.4 secs Computing kpt #: 304 total cpu time spent up to now is 254.7 secs Computing kpt #: 305 total cpu time spent up to now is 255.6 secs Computing kpt #: 306 total cpu time spent up to now is 256.8 secs Computing kpt #: 307 total cpu time spent up to now is 257.6 secs Computing kpt #: 308 total cpu time spent up to now is 258.7 secs Computing kpt #: 309 total cpu time spent up to now is 259.6 secs Computing kpt #: 310 total cpu time spent up to now is 260.4 secs Computing kpt #: 311 total cpu time spent up to now is 261.2 secs Computing kpt #: 312 total cpu time spent up to now is 262.1 secs Computing kpt #: 313 total cpu time spent up to now is 262.9 secs Computing kpt #: 314 total cpu time spent up to now is 263.7 secs Computing kpt #: 315 total cpu time spent up to now is 264.5 secs Computing kpt #: 316 total cpu time spent up to now is 265.4 secs Computing kpt #: 317 total cpu time spent up to now is 266.2 secs Computing kpt #: 318 total cpu time spent up to now is 267.1 secs Computing kpt #: 319 total cpu time spent up to now is 267.9 secs Computing kpt #: 320 total cpu time spent up to now is 268.7 secs Computing kpt #: 321 total cpu time spent up to now is 269.5 secs Computing kpt #: 322 total cpu time spent up to now is 270.2 secs Computing kpt #: 323 total cpu time spent up to now is 270.9 secs Computing kpt #: 324 total cpu time spent up to now is 271.6 secs Computing kpt #: 325 total cpu time spent up to now is 272.3 secs Computing kpt #: 326 total cpu time spent up to now is 273.1 secs Computing kpt #: 327 total cpu time spent up to now is 273.9 secs Computing kpt #: 328 total cpu time spent up to now is 274.6 secs Computing kpt #: 329 total cpu time spent up to now is 275.3 secs Computing kpt #: 330 total cpu time spent up to now is 276.1 secs Computing kpt #: 331 total cpu time spent up to now is 276.9 secs Computing kpt #: 332 total cpu time spent up to now is 277.6 secs Computing kpt #: 333 total cpu time spent up to now is 278.3 secs Computing kpt #: 334 total cpu time spent up to now is 279.1 secs Computing kpt #: 335 total cpu time spent up to now is 279.9 secs Computing kpt #: 336 total cpu time spent up to now is 280.7 secs Computing kpt #: 337 total cpu time spent up to now is 281.5 secs Computing kpt #: 338 total cpu time spent up to now is 282.3 secs Computing kpt #: 339 total cpu time spent up to now is 283.2 secs Computing kpt #: 340 total cpu time spent up to now is 284.0 secs Computing kpt #: 341 total cpu time spent up to now is 284.8 secs Computing kpt #: 342 total cpu time spent up to now is 285.7 secs Computing kpt #: 343 total cpu time spent up to now is 286.5 secs Computing kpt #: 344 total cpu time spent up to now is 287.4 secs Computing kpt #: 345 total cpu time spent up to now is 288.3 secs Computing kpt #: 346 total cpu time spent up to now is 289.2 secs ethr = 2.78E-08, avg # of iterations = 37.2 total cpu time spent up to now is 289.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6629 PWs) bands (ev): -44.7724 -44.7724 -44.7579 -44.7579 -21.5300 -21.5300 -21.4972 -21.4972 -20.8969 -20.8969 -20.8850 -20.8850 -20.8778 -20.8778 -20.7618 -20.7618 -1.5408 -1.5408 0.2376 0.2376 5.3379 5.3379 8.6098 8.6098 8.9833 8.9833 10.8588 10.8588 10.8710 10.8710 11.9113 11.9113 11.9529 11.9529 11.9676 11.9676 12.0416 12.0416 12.0933 12.0933 12.1100 12.1100 13.5127 13.5128 k = 0.0104 0.0060-0.0000 ( 6609 PWs) bands (ev): -44.7724 -44.7724 -44.7579 -44.7579 -21.5300 -21.5300 -21.4973 -21.4973 -20.8969 -20.8969 -20.8850 -20.8850 -20.8778 -20.8778 -20.7618 -20.7618 -1.5396 -1.5396 0.2380 0.2380 5.3394 5.3394 8.6087 8.6087 8.9821 8.9821 10.8315 10.8315 10.8873 10.8873 11.8521 11.8521 11.9087 11.9087 11.9860 11.9860 12.0971 12.0971 12.1006 12.1006 12.1358 12.1358 13.5131 13.5131 k = 0.0208 0.0120-0.0000 ( 6617 PWs) bands (ev): -44.7723 -44.7723 -44.7579 -44.7579 -21.5300 -21.5300 -21.4973 -21.4973 -20.8970 -20.8970 -20.8850 -20.8850 -20.8779 -20.8779 -20.7618 -20.7618 -1.5358 -1.5358 0.2389 0.2389 5.3441 5.3441 8.6053 8.6053 8.9787 8.9787 10.7872 10.7872 10.8997 10.8997 11.7629 11.7629 11.8213 11.8213 12.0199 12.0199 12.1049 12.1049 12.1746 12.1746 12.2067 12.2067 13.5142 13.5144 k = 0.0312 0.0180-0.0000 ( 6613 PWs) bands (ev): -44.7723 -44.7723 -44.7579 -44.7579 -21.5301 -21.5301 -21.4974 -21.4974 -20.8972 -20.8972 -20.8850 -20.8850 -20.8780 -20.8780 -20.7618 -20.7618 -1.5296 -1.5296 0.2406 0.2406 5.3519 5.3519 8.5994 8.5994 8.9731 8.9731 10.7303 10.7303 10.9048 10.9048 11.6670 11.6670 11.7300 11.7300 12.0571 12.0571 12.1100 12.1100 12.2501 12.2501 12.2914 12.2914 13.5154 13.5154 k = 0.0417 0.0241-0.0000 ( 6625 PWs) bands (ev): -44.7723 -44.7723 -44.7579 -44.7579 -21.5302 -21.5302 -21.4976 -21.4976 -20.8974 -20.8974 -20.8850 -20.8850 -20.8782 -20.8782 -20.7618 -20.7618 -1.5209 -1.5209 0.2428 0.2428 5.3627 5.3627 8.5910 8.5910 8.9657 8.9657 10.6617 10.6617 10.9034 10.9034 11.5685 11.5685 11.6378 11.6378 12.1006 12.1006 12.1169 12.1169 12.3220 12.3220 12.3790 12.3790 13.5163 13.5163 k = 0.0521 0.0301-0.0000 ( 6627 PWs) bands (ev): -44.7723 -44.7723 -44.7578 -44.7578 -21.5303 -21.5303 -21.4978 -21.4978 -20.8977 -20.8977 -20.8850 -20.8850 -20.8784 -20.8784 -20.7618 -20.7618 -1.5097 -1.5097 0.2457 0.2457 5.3766 5.3766 8.5796 8.5796 8.9569 8.9569 10.5825 10.5825 10.8954 10.8954 11.4699 11.4699 11.5462 11.5462 12.1256 12.1256 12.1493 12.1493 12.3905 12.3905 12.4658 12.4658 13.5167 13.5167 k = 0.0625 0.0361-0.0000 ( 6617 PWs) bands (ev): -44.7722 -44.7722 -44.7578 -44.7578 -21.5304 -21.5304 -21.4980 -21.4980 -20.8981 -20.8981 -20.8849 -20.8849 -20.8787 -20.8787 -20.7619 -20.7619 -1.4960 -1.4960 0.2492 0.2492 5.3936 5.3936 8.5651 8.5651 8.9471 8.9471 10.4939 10.4939 10.8793 10.8793 11.3741 11.3741 11.4563 11.4563 12.1362 12.1362 12.2008 12.2008 12.4561 12.4561 12.5499 12.5499 13.5165 13.5165 k = 0.0729 0.0421-0.0000 ( 6618 PWs) bands (ev): -44.7722 -44.7722 -44.7578 -44.7578 -21.5305 -21.5305 -21.4983 -21.4983 -20.8985 -20.8985 -20.8849 -20.8849 -20.8790 -20.8790 -20.7619 -20.7619 -1.4799 -1.4799 0.2533 0.2533 5.4136 5.4136 8.5469 8.5469 8.9367 8.9367 10.3968 10.3968 10.8525 10.8525 11.2846 11.2846 11.3695 11.3695 12.1486 12.1486 12.2532 12.2532 12.5192 12.5192 12.6298 12.6298 13.5158 13.5158 k = 0.0833 0.0481-0.0000 ( 6624 PWs) bands (ev): -44.7722 -44.7722 -44.7577 -44.7577 -21.5307 -21.5307 -21.4986 -21.4986 -20.8990 -20.8990 -20.8849 -20.8849 -20.8794 -20.8794 -20.7619 -20.7619 -1.4614 -1.4614 0.2580 0.2580 5.4366 5.4366 8.5249 8.5249 8.9263 8.9263 10.2920 10.2920 10.8115 10.8115 11.2040 11.2040 11.2881 11.2881 12.1629 12.1629 12.3047 12.3047 12.5805 12.5805 12.7039 12.7039 13.5148 13.5148 k = 0.0938 0.0541-0.0000 ( 6624 PWs) bands (ev): -44.7721 -44.7721 -44.7577 -44.7577 -21.5308 -21.5308 -21.4990 -21.4990 -20.8996 -20.8996 -20.8850 -20.8850 -20.8797 -20.8797 -20.7620 -20.7620 -1.4405 -1.4405 0.2632 0.2632 5.4626 5.4626 8.4987 8.4987 8.9163 8.9163 10.1802 10.1802 10.7540 10.7540 11.1309 11.1309 11.2170 11.2170 12.1791 12.1791 12.3543 12.3543 12.6400 12.6400 12.7712 12.7712 13.5136 13.5136 k = 0.1042 0.0601-0.0000 ( 6622 PWs) bands (ev): -44.7720 -44.7720 -44.7576 -44.7576 -21.5310 -21.5310 -21.4994 -21.4994 -20.9002 -20.9002 -20.8850 -20.8850 -20.8801 -20.8801 -20.7620 -20.7620 -1.4172 -1.4172 0.2690 0.2690 5.4916 5.4916 8.4683 8.4683 8.9070 8.9070 10.0620 10.0620 10.6816 10.6816 11.0585 11.0585 11.1631 11.1631 12.1969 12.1969 12.4013 12.4013 12.6974 12.6974 12.8310 12.8310 13.5122 13.5122 k = 0.1146 0.0662-0.0000 ( 6614 PWs) bands (ev): -44.7720 -44.7720 -44.7575 -44.7575 -21.5312 -21.5312 -21.4998 -21.4998 -20.9008 -20.9008 -20.8851 -20.8851 -20.8805 -20.8805 -20.7620 -20.7620 -1.3916 -1.3916 0.2753 0.2753 5.5234 5.5234 8.4335 8.4335 8.8985 8.8985 9.9379 9.9379 10.5984 10.5984 10.9827 10.9827 11.1269 11.1269 12.2166 12.2166 12.4454 12.4454 12.7519 12.7519 12.8832 12.8832 13.5107 13.5107 k = 0.1250 0.0722-0.0000 ( 6614 PWs) bands (ev): -44.7719 -44.7719 -44.7575 -44.7575 -21.5314 -21.5314 -21.5003 -21.5003 -20.9015 -20.9015 -20.8852 -20.8852 -20.8808 -20.8808 -20.7621 -20.7621 -1.3638 -1.3638 0.2822 0.2822 5.5581 5.5581 8.3945 8.3945 8.8911 8.8911 9.8088 9.8088 10.5091 10.5091 10.9048 10.9048 11.1029 11.1029 12.2379 12.2379 12.4866 12.4866 12.8018 12.8018 12.9292 12.9292 13.5090 13.5090 k = 0.1354 0.0782-0.0000 ( 6624 PWs) bands (ev): -44.7718 -44.7718 -44.7574 -44.7574 -21.5317 -21.5317 -21.5008 -21.5008 -20.9023 -20.9023 -20.8854 -20.8854 -20.8812 -20.8812 -20.7621 -20.7621 -1.3337 -1.3337 0.2894 0.2894 5.5956 5.5956 8.3512 8.3512 8.8846 8.8846 9.6754 9.6754 10.4171 10.4171 10.8267 10.8267 11.0861 11.0861 12.2608 12.2608 12.5254 12.5254 12.8447 12.8447 12.9715 12.9715 13.5073 13.5073 k = 0.1458 0.0842-0.0000 ( 6628 PWs) bands (ev): -44.7718 -44.7718 -44.7573 -44.7573 -21.5319 -21.5319 -21.5013 -21.5013 -20.9031 -20.9031 -20.8857 -20.8857 -20.8814 -20.8814 -20.7621 -20.7621 -1.3014 -1.3014 0.2971 0.2971 5.6358 5.6358 8.3039 8.3039 8.8790 8.8790 9.5387 9.5387 10.3248 10.3248 10.7496 10.7496 11.0733 11.0733 12.2854 12.2854 12.5621 12.5621 12.8782 12.8782 13.0127 13.0127 13.5056 13.5056 k = 0.1562 0.0902-0.0000 ( 6626 PWs) bands (ev): -44.7717 -44.7717 -44.7573 -44.7573 -21.5322 -21.5322 -21.5018 -21.5018 -20.9039 -20.9039 -20.8861 -20.8861 -20.8816 -20.8816 -20.7622 -20.7622 -1.2669 -1.2669 0.3052 0.3052 5.6787 5.6787 8.2527 8.2527 8.8741 8.8741 9.3996 9.3996 10.2332 10.2332 10.6740 10.6740 11.0628 11.0628 12.3114 12.3114 12.5970 12.5970 12.9016 12.9016 13.0544 13.0544 13.5038 13.5038 k = 0.1667 0.0962-0.0000 ( 6624 PWs) bands (ev): -44.7716 -44.7716 -44.7572 -44.7572 -21.5325 -21.5325 -21.5024 -21.5024 -20.9048 -20.9048 -20.8866 -20.8866 -20.8818 -20.8818 -20.7622 -20.7622 -1.2304 -1.2304 0.3137 0.3137 5.7242 5.7242 8.1977 8.1977 8.8698 8.8698 9.2593 9.2593 10.1431 10.1431 10.6002 10.6002 11.0535 11.0535 12.3389 12.3389 12.6306 12.6306 12.9158 12.9158 13.0961 13.0961 13.5021 13.5021 k = 0.1771 0.1022-0.0000 ( 6632 PWs) bands (ev): -44.7715 -44.7715 -44.7571 -44.7571 -21.5328 -21.5328 -21.5030 -21.5030 -20.9057 -20.9057 -20.8871 -20.8871 -20.8818 -20.8818 -20.7623 -20.7623 -1.1919 -1.1919 0.3224 0.3224 5.7723 5.7723 8.1388 8.1388 8.8659 8.8659 9.1190 9.1190 10.0550 10.0550 10.5284 10.5284 11.0445 11.0445 12.3677 12.3677 12.6633 12.6633 12.9228 12.9228 13.1367 13.1367 13.5005 13.5005 k = 0.1875 0.1083-0.0000 ( 6628 PWs) bands (ev): -44.7714 -44.7714 -44.7570 -44.7570 -21.5331 -21.5331 -21.5036 -21.5036 -20.9067 -20.9067 -20.8878 -20.8878 -20.8818 -20.8818 -20.7623 -20.7623 -1.1515 -1.1515 0.3314 0.3314 5.8228 5.8228 8.0760 8.0760 8.8616 8.8616 8.9803 8.9803 9.9688 9.9688 10.4588 10.4588 11.0354 11.0354 12.3978 12.3978 12.6951 12.6951 12.9244 12.9244 13.1750 13.1750 13.4990 13.4990 k = 0.1979 0.1143-0.0000 ( 6628 PWs) bands (ev): -44.7713 -44.7713 -44.7569 -44.7569 -21.5334 -21.5334 -21.5043 -21.5043 -20.9076 -20.9076 -20.8885 -20.8885 -20.8818 -20.8818 -20.7623 -20.7623 -1.1091 -1.1091 0.3406 0.3406 5.8756 5.8756 8.0090 8.0090 8.8332 8.8332 8.8683 8.8683 9.8848 9.8848 10.3915 10.3915 11.0259 11.0259 12.4291 12.4291 12.7262 12.7262 12.9221 12.9221 13.2099 13.2099 13.4977 13.4977 k = 0.2083 0.1203-0.0000 ( 6626 PWs) bands (ev): -44.7712 -44.7712 -44.7568 -44.7568 -21.5337 -21.5337 -21.5049 -21.5049 -20.9086 -20.9086 -20.8892 -20.8892 -20.8817 -20.8817 -20.7624 -20.7624 -1.0650 -1.0650 0.3500 0.3500 5.9307 5.9307 7.9374 7.9374 8.7061 8.7061 8.8588 8.8588 9.8030 9.8030 10.3265 10.3265 11.0158 11.0158 12.4615 12.4615 12.7564 12.7564 12.9171 12.9171 13.2411 13.2411 13.4965 13.4965 k = 0.2188 0.1263-0.0000 ( 6630 PWs) bands (ev): -44.7711 -44.7711 -44.7567 -44.7567 -21.5340 -21.5340 -21.5056 -21.5056 -20.9096 -20.9096 -20.8900 -20.8900 -20.8816 -20.8816 -20.7624 -20.7624 -1.0192 -1.0192 0.3595 0.3595 5.9879 5.9879 7.8605 7.8605 8.5781 8.5781 8.8551 8.8551 9.7232 9.7232 10.2640 10.2640 11.0047 11.0047 12.4947 12.4947 12.7852 12.7852 12.9110 12.9110 13.2682 13.2682 13.4957 13.4957 k = 0.2292 0.1323-0.0000 ( 6638 PWs) bands (ev): -44.7710 -44.7710 -44.7566 -44.7566 -21.5344 -21.5344 -21.5063 -21.5063 -20.9106 -20.9106 -20.8908 -20.8908 -20.8815 -20.8815 -20.7625 -20.7625 -0.9718 -0.9718 0.3690 0.3690 6.0471 6.0471 7.7780 7.7780 8.4562 8.4562 8.8515 8.8515 9.6456 9.6456 10.2041 10.2041 10.9927 10.9927 12.5288 12.5288 12.8107 12.8107 12.9061 12.9061 13.2912 13.2912 13.4951 13.4951 k = 0.2396 0.1383-0.0000 ( 6638 PWs) bands (ev): -44.7709 -44.7709 -44.7565 -44.7565 -21.5347 -21.5347 -21.5070 -21.5070 -20.9117 -20.9117 -20.8916 -20.8916 -20.8814 -20.8814 -20.7625 -20.7625 -0.9229 -0.9229 0.3784 0.3784 6.1081 6.1081 7.6892 7.6892 8.3418 8.3418 8.8478 8.8478 9.5701 9.5701 10.1468 10.1468 10.9796 10.9796 12.5636 12.5636 12.8285 12.8285 12.9072 12.9072 13.3100 13.3100 13.4950 13.4950 k = 0.2500 0.1443-0.0000 ( 6630 PWs) bands (ev): -44.7708 -44.7708 -44.7564 -44.7564 -21.5351 -21.5351 -21.5076 -21.5076 -20.9127 -20.9127 -20.8925 -20.8925 -20.8813 -20.8813 -20.7625 -20.7625 -0.8727 -0.8727 0.3878 0.3878 6.1707 6.1707 7.5942 7.5942 8.2360 8.2360 8.8436 8.8436 9.4966 9.4966 10.0922 10.0922 10.9654 10.9654 12.5988 12.5988 12.8330 12.8330 12.9201 12.9201 13.3249 13.3249 13.4953 13.4953 k = 0.2604 0.1504-0.0000 ( 6630 PWs) bands (ev): -44.7707 -44.7707 -44.7563 -44.7563 -21.5354 -21.5354 -21.5083 -21.5083 -20.9137 -20.9137 -20.8933 -20.8933 -20.8811 -20.8811 -20.7626 -20.7626 -0.8211 -0.8211 0.3969 0.3969 6.2347 6.2347 7.4932 7.4932 8.1391 8.1391 8.8389 8.8389 9.4252 9.4252 10.0404 10.0404 10.9501 10.9501 12.6343 12.6343 12.8264 12.8264 12.9432 12.9432 13.3361 13.3361 13.4961 13.4961 k = 0.2708 0.1564-0.0000 ( 6632 PWs) bands (ev): -44.7706 -44.7706 -44.7562 -44.7562 -21.5357 -21.5357 -21.5090 -21.5090 -20.9148 -20.9148 -20.8942 -20.8942 -20.8810 -20.8810 -20.7626 -20.7626 -0.7685 -0.7685 0.4058 0.4058 6.2996 6.2996 7.3874 7.3874 8.0509 8.0509 8.8335 8.8335 9.3559 9.3559 9.9914 9.9914 10.9337 10.9337 12.6699 12.6699 12.8140 12.8140 12.9708 12.9708 13.3438 13.3438 13.4976 13.4976 k = 0.2812 0.1624-0.0000 ( 6632 PWs) bands (ev): -44.7705 -44.7705 -44.7561 -44.7561 -21.5361 -21.5361 -21.5097 -21.5097 -20.9158 -20.9158 -20.8950 -20.8950 -20.8808 -20.8808 -20.7626 -20.7626 -0.7149 -0.7149 0.4143 0.4143 6.3651 6.3651 7.2783 7.2783 7.9708 7.9708 8.8272 8.8272 9.2886 9.2886 9.9452 9.9452 10.9163 10.9163 12.7052 12.7052 12.7989 12.7989 13.0003 13.0003 13.3485 13.3485 13.4997 13.4997 k = 0.2917 0.1684-0.0000 ( 6636 PWs) bands (ev): -44.7704 -44.7704 -44.7560 -44.7560 -21.5364 -21.5364 -21.5104 -21.5104 -20.9168 -20.9168 -20.8958 -20.8958 -20.8807 -20.8807 -20.7627 -20.7627 -0.6604 -0.6604 0.4224 0.4224 6.4302 6.4302 7.1681 7.1681 7.8979 7.8979 8.8199 8.8199 9.2235 9.2235 9.9019 9.9019 10.8981 10.8981 12.7396 12.7396 12.7828 12.7828 13.0304 13.0304 13.3506 13.3506 13.5026 13.5026 k = 0.3021 0.1744-0.0000 ( 6640 PWs) bands (ev): -44.7703 -44.7703 -44.7559 -44.7559 -21.5368 -21.5368 -21.5111 -21.5111 -20.9178 -20.9178 -20.8966 -20.8966 -20.8805 -20.8805 -20.7627 -20.7627 -0.6052 -0.6052 0.4299 0.4299 6.4933 6.4933 7.0597 7.0597 7.8313 7.8313 8.8112 8.8112 9.1607 9.1607 9.8615 9.8615 10.8790 10.8790 12.7590 12.7590 12.7800 12.7800 13.0605 13.0605 13.3503 13.3503 13.5063 13.5063 k = 0.3125 0.1804-0.0000 ( 6634 PWs) bands (ev): -44.7702 -44.7702 -44.7559 -44.7559 -21.5371 -21.5371 -21.5117 -21.5117 -20.9187 -20.9187 -20.8974 -20.8974 -20.8804 -20.8804 -20.7627 -20.7627 -0.5496 -0.5496 0.4368 0.4368 6.5499 6.5499 6.9584 6.9584 7.7703 7.7703 8.8009 8.8009 9.1004 9.1004 9.8239 9.8239 10.8594 10.8594 12.7430 12.7430 12.8109 12.8109 13.0902 13.0902 13.3481 13.3481 13.5111 13.5111 k = 0.3229 0.1864-0.0000 ( 6638 PWs) bands (ev): -44.7702 -44.7702 -44.7558 -44.7558 -21.5374 -21.5374 -21.5124 -21.5124 -20.9197 -20.9197 -20.8982 -20.8982 -20.8802 -20.8802 -20.7627 -20.7627 -0.4936 -0.4936 0.4429 0.4429 6.5880 6.5880 6.8774 6.8774 7.7145 7.7145 8.7884 8.7884 9.0433 9.0433 9.7892 9.7892 10.8392 10.8392 12.7239 12.7239 12.8433 12.8433 13.1191 13.1191 13.3443 13.3443 13.5169 13.5169 k = 0.3333 0.1925-0.0000 ( 6638 PWs) bands (ev): -44.7701 -44.7701 -44.7557 -44.7557 -21.5377 -21.5377 -21.5130 -21.5130 -20.9206 -20.9206 -20.8990 -20.8990 -20.8801 -20.8801 -20.7627 -20.7627 -0.4375 -0.4375 0.4482 0.4482 6.5795 6.5795 6.8453 6.8453 7.6635 7.6635 8.7727 8.7727 8.9901 8.9901 9.7573 9.7573 10.8188 10.8188 12.7040 12.7040 12.8746 12.8746 13.1471 13.1471 13.3392 13.3392 13.5238 13.5238 k = 0.3438 0.1985-0.0000 ( 6634 PWs) bands (ev): -44.7700 -44.7700 -44.7556 -44.7556 -21.5380 -21.5380 -21.5136 -21.5136 -20.9214 -20.9214 -20.8997 -20.8997 -20.8799 -20.8799 -20.7628 -20.7628 -0.3815 -0.3815 0.4524 0.4524 6.5169 6.5169 6.8701 6.8701 7.6171 7.6171 8.7524 8.7524 8.9421 8.9421 9.7281 9.7281 10.7983 10.7983 12.6837 12.6837 12.9044 12.9044 13.1739 13.1739 13.3333 13.3333 13.5318 13.5318 k = 0.3542 0.2045-0.0000 ( 6638 PWs) bands (ev): -44.7699 -44.7699 -44.7555 -44.7555 -21.5383 -21.5383 -21.5141 -21.5141 -20.9223 -20.9223 -20.9004 -20.9004 -20.8798 -20.8798 -20.7628 -20.7628 -0.3257 -0.3257 0.4555 0.4555 6.4302 6.4302 6.9217 6.9217 7.5756 7.5756 8.7258 8.7258 8.9010 8.9010 9.7016 9.7016 10.7779 10.7779 12.6631 12.6631 12.9324 12.9324 13.1992 13.1992 13.3267 13.3267 13.5411 13.5411 k = 0.3646 0.2105-0.0000 ( 6642 PWs) bands (ev): -44.7698 -44.7698 -44.7554 -44.7554 -21.5386 -21.5386 -21.5147 -21.5147 -20.9231 -20.9231 -20.9011 -20.9011 -20.8796 -20.8796 -20.7628 -20.7628 -0.2705 -0.2705 0.4574 0.4574 6.3380 6.3380 6.9815 6.9815 7.5394 7.5394 8.6919 8.6919 8.8679 8.8679 9.6776 9.6776 10.7579 10.7579 12.6425 12.6425 12.9584 12.9584 13.2230 13.2230 13.3199 13.3199 13.5514 13.5514 k = 0.3750 0.2165-0.0000 ( 6632 PWs) bands (ev): -44.7698 -44.7698 -44.7554 -44.7554 -21.5388 -21.5388 -21.5152 -21.5152 -20.9238 -20.9238 -20.9017 -20.9017 -20.8795 -20.8795 -20.7628 -20.7628 -0.2160 -0.2160 0.4579 0.4579 6.2466 6.2466 7.0425 7.0425 7.5097 7.5097 8.6511 8.6511 8.8422 8.8422 9.6561 9.6561 10.7383 10.7383 12.6220 12.6220 12.9823 12.9823 13.2447 13.2447 13.3132 13.3132 13.5628 13.5628 k = 0.3854 0.2225-0.0000 ( 6636 PWs) bands (ev): -44.7697 -44.7697 -44.7553 -44.7553 -21.5391 -21.5391 -21.5157 -21.5157 -20.9245 -20.9245 -20.9023 -20.9023 -20.8794 -20.8794 -20.7628 -20.7628 -0.1624 -0.1624 0.4568 0.4568 6.1586 6.1586 7.1001 7.1001 7.4883 7.4883 8.6051 8.6051 8.8223 8.8223 9.6370 9.6370 10.7195 10.7195 12.6017 12.6017 13.0038 13.0038 13.2637 13.2637 13.3075 13.3075 13.5751 13.5751 k = 0.3958 0.2285-0.0000 ( 6638 PWs) bands (ev): -44.7696 -44.7696 -44.7552 -44.7552 -21.5393 -21.5393 -21.5161 -21.5161 -20.9251 -20.9251 -20.9028 -20.9028 -20.8793 -20.8793 -20.7628 -20.7628 -0.1100 -0.1100 0.4540 0.4540 6.0756 6.0756 7.1500 7.1500 7.4786 7.4786 8.5555 8.5555 8.8064 8.8064 9.6201 9.6201 10.7016 10.7016 12.5819 12.5819 13.0231 13.0231 13.2773 13.2773 13.3056 13.3056 13.5881 13.5881 k = 0.4062 0.2345-0.0000 ( 6638 PWs) bands (ev): -44.7696 -44.7696 -44.7552 -44.7552 -21.5395 -21.5395 -21.5165 -21.5165 -20.9257 -20.9257 -20.9033 -20.9033 -20.8792 -20.8792 -20.7628 -20.7628 -0.0591 -0.0591 0.4494 0.4494 5.9983 5.9983 7.1870 7.1870 7.4851 7.4851 8.5036 8.5036 8.7933 8.7933 9.6052 9.6052 10.6848 10.6848 12.5628 12.5628 13.0400 13.0400 13.2807 13.2807 13.3123 13.3123 13.6014 13.6014 k = 0.4167 0.2406-0.0000 ( 6630 PWs) bands (ev): -44.7695 -44.7695 -44.7551 -44.7551 -21.5397 -21.5397 -21.5169 -21.5169 -20.9263 -20.9263 -20.9037 -20.9037 -20.8791 -20.8791 -20.7628 -20.7628 -0.0098 -0.0098 0.4428 0.4428 5.9276 5.9276 7.2081 7.2081 7.5103 7.5103 8.4502 8.4502 8.7821 8.7821 9.5924 9.5924 10.6693 10.6693 12.5447 12.5447 13.0547 13.0547 13.2774 13.2774 13.3243 13.3243 13.6147 13.6147 k = 0.4271 0.2466-0.0000 ( 6634 PWs) bands (ev): -44.7695 -44.7695 -44.7551 -44.7551 -21.5399 -21.5399 -21.5172 -21.5172 -20.9268 -20.9268 -20.9041 -20.9041 -20.8790 -20.8790 -20.7629 -20.7629 0.0377 0.0377 0.4341 0.4341 5.8638 5.8638 7.2153 7.2153 7.5520 7.5520 8.3955 8.3955 8.7726 8.7726 9.5813 9.5813 10.6553 10.6553 12.5278 12.5278 13.0673 13.0673 13.2726 13.2726 13.3366 13.3366 13.6277 13.6277 k = 0.4375 0.2526-0.0000 ( 6634 PWs) bands (ev): -44.7694 -44.7694 -44.7551 -44.7551 -21.5400 -21.5400 -21.5175 -21.5175 -20.9272 -20.9272 -20.9045 -20.9045 -20.8789 -20.8789 -20.7629 -20.7629 0.0830 0.0830 0.4231 0.4231 5.8077 5.8077 7.2138 7.2138 7.6046 7.6046 8.3398 8.3398 8.7644 8.7644 9.5720 9.5720 10.6428 10.6428 12.5123 12.5123 13.0778 13.0778 13.2678 13.2678 13.3476 13.3476 13.6399 13.6399 k = 0.4479 0.2586-0.0000 ( 6642 PWs) bands (ev): -44.7694 -44.7694 -44.7550 -44.7550 -21.5402 -21.5402 -21.5178 -21.5178 -20.9275 -20.9275 -20.9048 -20.9048 -20.8789 -20.8789 -20.7629 -20.7629 0.1261 0.1261 0.4097 0.4097 5.7594 5.7594 7.2083 7.2083 7.6632 7.6632 8.2832 8.2832 8.7575 8.7575 9.5643 9.5643 10.6320 10.6320 12.4987 12.4987 13.0864 13.0864 13.2634 13.2634 13.3571 13.3571 13.6510 13.6510 k = 0.4583 0.2646-0.0000 ( 6644 PWs) bands (ev): -44.7694 -44.7694 -44.7550 -44.7550 -21.5403 -21.5403 -21.5180 -21.5180 -20.9278 -20.9278 -20.9050 -20.9050 -20.8788 -20.8788 -20.7629 -20.7629 0.1668 0.1668 0.3938 0.3938 5.7194 5.7194 7.2016 7.2016 7.7248 7.7248 8.2258 8.2258 8.7519 8.7519 9.5582 9.5582 10.6230 10.6230 12.4871 12.4871 13.0933 13.0933 13.2597 13.2597 13.3649 13.3649 13.6606 13.6606 k = 0.4688 0.2706-0.0000 ( 6656 PWs) bands (ev): -44.7693 -44.7693 -44.7550 -44.7550 -21.5404 -21.5404 -21.5182 -21.5182 -20.9281 -20.9281 -20.9052 -20.9052 -20.8788 -20.8788 -20.7629 -20.7629 0.2049 0.2049 0.3752 0.3752 5.6880 5.6880 7.1953 7.1953 7.7874 7.7874 8.1676 8.1676 8.7475 8.7475 9.5535 9.5535 10.6159 10.6159 12.4778 12.4778 13.0984 13.0984 13.2567 13.2567 13.3710 13.3710 13.6684 13.6684 k = 0.4792 0.2766-0.0000 ( 6656 PWs) bands (ev): -44.7693 -44.7693 -44.7550 -44.7550 -21.5404 -21.5404 -21.5183 -21.5183 -20.9282 -20.9282 -20.9054 -20.9054 -20.8787 -20.8787 -20.7629 -20.7629 0.2403 0.2403 0.3540 0.3540 5.6654 5.6654 7.1904 7.1904 7.8496 7.8496 8.1093 8.1093 8.7444 8.7444 9.5501 9.5501 10.6108 10.6108 12.4710 12.4710 13.1021 13.1021 13.2545 13.2545 13.3753 13.3753 13.6742 13.6742 k = 0.4896 0.2827-0.0000 ( 6656 PWs) bands (ev): -44.7693 -44.7693 -44.7549 -44.7549 -21.5404 -21.5404 -21.5183 -21.5183 -20.9283 -20.9283 -20.9055 -20.9055 -20.8787 -20.8787 -20.7629 -20.7629 0.2728 0.2728 0.3300 0.3300 5.6518 5.6518 7.1873 7.1873 7.9085 7.9085 8.0528 8.0528 8.7425 8.7425 9.5482 9.5482 10.6077 10.6077 12.4668 12.4668 13.1042 13.1042 13.2532 13.2532 13.3779 13.3779 13.6778 13.6778 k = 0.5000 0.2887-0.0000 ( 6656 PWs) bands (ev): -44.7693 -44.7693 -44.7549 -44.7549 -21.5405 -21.5405 -21.5184 -21.5184 -20.9284 -20.9284 -20.9055 -20.9055 -20.8787 -20.8787 -20.7629 -20.7629 0.2993 0.2993 0.3063 0.3063 5.6473 5.6473 7.1862 7.1862 7.9450 7.9450 8.0172 8.0172 8.7418 8.7418 9.5475 9.5475 10.6067 10.6067 12.4654 12.4654 13.1050 13.1050 13.2527 13.2527 13.3788 13.3788 13.6790 13.6790 k = 0.5000 0.2887-0.0000 ( 6656 PWs) bands (ev): -44.7693 -44.7693 -44.7549 -44.7549 -21.5405 -21.5405 -21.5184 -21.5184 -20.9284 -20.9284 -20.9055 -20.9055 -20.8787 -20.8787 -20.7629 -20.7629 0.2993 0.2993 0.3063 0.3063 5.6473 5.6473 7.1862 7.1862 7.9450 7.9450 8.0172 8.0172 8.7418 8.7418 9.5475 9.5475 10.6067 10.6067 12.4654 12.4654 13.1050 13.1050 13.2527 13.2527 13.3788 13.3788 13.6790 13.6790 k = 0.4940 0.2990-0.0000 ( 6652 PWs) bands (ev): -44.7693 -44.7693 -44.7549 -44.7549 -21.5405 -21.5405 -21.5184 -21.5184 -20.9284 -20.9284 -20.9055 -20.9055 -20.8787 -20.8787 -20.7629 -20.7629 0.2999 0.2999 0.3066 0.3066 5.6485 5.6485 7.1856 7.1856 7.9457 7.9457 8.0171 8.0171 8.7414 8.7414 9.5300 9.5300 10.6223 10.6223 12.4662 12.4662 13.1058 13.1058 13.2520 13.2520 13.3783 13.3783 13.6785 13.6785 k = 0.4881 0.3093-0.0000 ( 6648 PWs) bands (ev): -44.7693 -44.7693 -44.7549 -44.7549 -21.5405 -21.5405 -21.5184 -21.5184 -20.9284 -20.9284 -20.9055 -20.9055 -20.8788 -20.8788 -20.7629 -20.7629 0.3016 0.3016 0.3075 0.3075 5.6521 5.6521 7.1839 7.1839 7.9477 7.9477 8.0170 8.0170 8.7403 8.7403 9.4806 9.4806 10.6662 10.6662 12.4686 12.4686 13.1082 13.1082 13.2497 13.2497 13.3767 13.3767 13.6773 13.6773 k = 0.4821 0.3196-0.0000 ( 6644 PWs) bands (ev): -44.7693 -44.7693 -44.7549 -44.7549 -21.5405 -21.5405 -21.5184 -21.5184 -20.9285 -20.9285 -20.9055 -20.9055 -20.8788 -20.8788 -20.7629 -20.7629 0.3044 0.3044 0.3091 0.3091 5.6582 5.6582 7.1810 7.1810 7.9509 7.9509 8.0168 8.0168 8.7384 8.7384 9.4060 9.4060 10.7316 10.7316 12.4725 12.4725 13.1120 13.1120 13.2459 13.2459 13.3741 13.3741 13.6754 13.6754 k = 0.4762 0.3299-0.0000 ( 6638 PWs) bands (ev): -44.7693 -44.7693 -44.7549 -44.7549 -21.5405 -21.5405 -21.5185 -21.5185 -20.9285 -20.9285 -20.9054 -20.9054 -20.8789 -20.8789 -20.7629 -20.7629 0.3081 0.3081 0.3113 0.3113 5.6666 5.6666 7.1771 7.1771 7.9552 7.9552 8.0166 8.0166 8.7357 8.7357 9.3136 9.3136 10.8115 10.8115 12.4780 12.4780 13.1173 13.1173 13.2407 13.2407 13.3704 13.3704 13.6729 13.6729 k = 0.4702 0.3402-0.0000 ( 6634 PWs) bands (ev): -44.7693 -44.7693 -44.7549 -44.7549 -21.5405 -21.5405 -21.5185 -21.5185 -20.9286 -20.9286 -20.9054 -20.9054 -20.8790 -20.8790 -20.7629 -20.7629 0.3125 0.3125 0.3146 0.3146 5.6775 5.6775 7.1720 7.1720 7.9603 7.9603 8.0167 8.0167 8.7322 8.7322 9.2093 9.2093 10.9000 10.9000 12.4851 12.4851 13.1238 13.1238 13.2340 13.2340 13.3656 13.3656 13.6702 13.6702 k = 0.4643 0.3505-0.0000 ( 6626 PWs) bands (ev): -44.7693 -44.7693 -44.7549 -44.7549 -21.5406 -21.5406 -21.5186 -21.5186 -20.9287 -20.9287 -20.9054 -20.9054 -20.8791 -20.8791 -20.7630 -20.7630 0.3165 0.3165 0.3198 0.3198 5.6907 5.6907 7.1658 7.1658 7.9657 7.9657 8.0172 8.0172 8.7277 8.7277 9.0976 9.0976 10.9933 10.9933 12.4937 12.4937 13.1311 13.1311 13.2260 13.2260 13.3594 13.3594 13.6674 13.6674 k = 0.4583 0.3608-0.0000 ( 6630 PWs) bands (ev): -44.7693 -44.7693 -44.7549 -44.7549 -21.5406 -21.5406 -21.5186 -21.5186 -20.9289 -20.9289 -20.9053 -20.9053 -20.8793 -20.8793 -20.7630 -20.7630 0.3205 0.3205 0.3266 0.3266 5.7062 5.7062 7.1585 7.1585 7.9708 7.9708 8.0188 8.0188 8.7219 8.7219 8.9819 8.9819 11.0886 11.0886 12.5038 12.5038 13.1389 13.1389 13.2168 13.2168 13.3519 13.3519 13.6651 13.6651 k = 0.4524 0.3712-0.0000 ( 6626 PWs) bands (ev): -44.7692 -44.7692 -44.7549 -44.7549 -21.5406 -21.5406 -21.5187 -21.5187 -20.9290 -20.9290 -20.9053 -20.9053 -20.8794 -20.8794 -20.7630 -20.7630 0.3249 0.3249 0.3344 0.3344 5.7240 5.7240 7.1502 7.1502 7.9743 7.9743 8.0221 8.0221 8.7131 8.7131 8.8662 8.8662 11.1842 11.1842 12.5155 12.5155 13.1469 13.1469 13.2065 13.2065 13.3429 13.3429 13.6638 13.6638 k = 0.4464 0.3815-0.0000 ( 6628 PWs) bands (ev): -44.7692 -44.7692 -44.7549 -44.7549 -21.5407 -21.5407 -21.5188 -21.5188 -20.9292 -20.9292 -20.9053 -20.9053 -20.8796 -20.8796 -20.7630 -20.7630 0.3297 0.3297 0.3430 0.3430 5.7441 5.7441 7.1409 7.1409 7.9753 7.9753 8.0278 8.0278 8.6895 8.6895 8.7645 8.7645 11.2788 11.2788 12.5287 12.5287 13.1543 13.1543 13.1953 13.1953 13.3324 13.3324 13.6639 13.6639 k = 0.4405 0.3918-0.0000 ( 6632 PWs) bands (ev): -44.7692 -44.7692 -44.7548 -44.7548 -21.5407 -21.5407 -21.5189 -21.5189 -20.9294 -20.9294 -20.9052 -20.9052 -20.8798 -20.8798 -20.7631 -20.7631 0.3351 0.3351 0.3523 0.3523 5.7663 5.7663 7.1305 7.1305 7.9727 7.9727 8.0359 8.0359 8.6062 8.6062 8.7234 8.7234 11.3717 11.3717 12.5433 12.5433 13.1600 13.1600 13.1840 13.1840 13.3204 13.3204 13.6661 13.6661 k = 0.4345 0.4021-0.0000 ( 6632 PWs) bands (ev): -44.7692 -44.7692 -44.7548 -44.7548 -21.5408 -21.5408 -21.5190 -21.5190 -20.9296 -20.9296 -20.9052 -20.9052 -20.8799 -20.8799 -20.7631 -20.7631 0.3409 0.3409 0.3622 0.3622 5.7907 5.7907 7.1191 7.1191 7.9659 7.9659 8.0459 8.0459 8.4977 8.4977 8.7111 8.7111 11.4621 11.4621 12.5594 12.5594 13.1602 13.1602 13.1760 13.1760 13.3067 13.3067 13.6710 13.6710 k = 0.4286 0.4124-0.0000 ( 6624 PWs) bands (ev): -44.7692 -44.7692 -44.7548 -44.7548 -21.5408 -21.5408 -21.5191 -21.5191 -20.9297 -20.9297 -20.9051 -20.9051 -20.8801 -20.8801 -20.7631 -20.7631 0.3471 0.3471 0.3727 0.3727 5.8171 5.8171 7.1068 7.1068 7.9530 7.9530 8.0569 8.0569 8.3920 8.3920 8.7025 8.7025 11.5499 11.5499 12.5769 12.5769 13.1505 13.1505 13.1752 13.1752 13.2913 13.2913 13.6793 13.6793 k = 0.4226 0.4227-0.0000 ( 6620 PWs) bands (ev): -44.7691 -44.7691 -44.7548 -44.7548 -21.5409 -21.5409 -21.5192 -21.5192 -20.9300 -20.9300 -20.9051 -20.9051 -20.8803 -20.8803 -20.7632 -20.7632 0.3537 0.3537 0.3835 0.3835 5.8454 5.8454 7.0933 7.0933 7.9306 7.9306 8.0681 8.0681 8.2975 8.2975 8.6947 8.6947 11.6346 11.6346 12.5957 12.5957 13.1369 13.1369 13.1754 13.1754 13.2743 13.2743 13.6914 13.6914 k = 0.4167 0.4330-0.0000 ( 6628 PWs) bands (ev): -44.7691 -44.7691 -44.7548 -44.7548 -21.5409 -21.5409 -21.5194 -21.5194 -20.9302 -20.9302 -20.9051 -20.9051 -20.8805 -20.8805 -20.7632 -20.7632 0.3607 0.3607 0.3946 0.3946 5.8755 5.8755 7.0788 7.0788 7.8930 7.8930 8.0783 8.0783 8.2221 8.2221 8.6871 8.6871 11.7161 11.7161 12.6159 12.6159 13.1222 13.1222 13.1736 13.1736 13.2557 13.2557 13.7076 13.7076 k = 0.4107 0.4433-0.0000 ( 6634 PWs) bands (ev): -44.7691 -44.7691 -44.7547 -44.7547 -21.5410 -21.5410 -21.5195 -21.5195 -20.9304 -20.9304 -20.9050 -20.9050 -20.8807 -20.8807 -20.7633 -20.7633 0.3680 0.3680 0.4057 0.4057 5.9073 5.9073 7.0631 7.0631 7.8360 7.8360 8.0851 8.0851 8.1732 8.1732 8.6796 8.6796 11.7944 11.7944 12.6374 12.6374 13.1070 13.1070 13.1693 13.1693 13.2355 13.2355 13.7257 13.7258 k = 0.4048 0.4536-0.0000 ( 6626 PWs) bands (ev): -44.7691 -44.7691 -44.7547 -44.7547 -21.5411 -21.5411 -21.5196 -21.5196 -20.9306 -20.9306 -20.9050 -20.9050 -20.8809 -20.8809 -20.7633 -20.7633 0.3755 0.3755 0.4167 0.4167 5.9405 5.9405 7.0461 7.0461 7.7622 7.7622 8.0853 8.0853 8.1522 8.1522 8.6722 8.6722 11.8694 11.8694 12.6601 12.6601 13.0917 13.0917 13.1623 13.1623 13.2139 13.2139 13.7147 13.7147 k = 0.3988 0.4639-0.0000 ( 6626 PWs) bands (ev): -44.7691 -44.7691 -44.7547 -44.7547 -21.5411 -21.5411 -21.5197 -21.5197 -20.9308 -20.9308 -20.9050 -20.9050 -20.8811 -20.8811 -20.7633 -20.7633 0.3833 0.3833 0.4275 0.4275 5.9750 5.9750 7.0276 7.0276 7.6793 7.6793 8.0804 8.0804 8.1508 8.1508 8.6650 8.6650 11.9409 11.9409 12.6840 12.6840 13.0764 13.0764 13.1529 13.1529 13.1911 13.1911 13.6858 13.6858 k = 0.3929 0.4743-0.0000 ( 6624 PWs) bands (ev): -44.7690 -44.7690 -44.7547 -44.7547 -21.5412 -21.5412 -21.5198 -21.5198 -20.9310 -20.9310 -20.9050 -20.9050 -20.8812 -20.8812 -20.7634 -20.7634 0.3913 0.3913 0.4379 0.4379 6.0105 6.0105 7.0074 7.0074 7.5944 7.5944 8.0754 8.0754 8.1575 8.1575 8.6579 8.6579 12.0089 12.0089 12.7089 12.7089 13.0612 13.0612 13.1411 13.1411 13.1674 13.1674 13.6550 13.6550 k = 0.3869 0.4846-0.0000 ( 6622 PWs) bands (ev): -44.7690 -44.7690 -44.7547 -44.7547 -21.5412 -21.5412 -21.5200 -21.5200 -20.9312 -20.9312 -20.9050 -20.9050 -20.8814 -20.8814 -20.7634 -20.7634 0.3994 0.3994 0.4476 0.4476 6.0466 6.0466 6.9851 6.9851 7.5121 7.5121 8.0724 8.0724 8.1666 8.1666 8.6510 8.6510 12.0732 12.0732 12.7347 12.7347 13.0462 13.0462 13.1275 13.1275 13.1432 13.1432 13.6233 13.6233 k = 0.3810 0.4949-0.0000 ( 6626 PWs) bands (ev): -44.7690 -44.7690 -44.7547 -44.7547 -21.5413 -21.5413 -21.5201 -21.5201 -20.9314 -20.9314 -20.9050 -20.9050 -20.8815 -20.8815 -20.7634 -20.7634 0.4077 0.4077 0.4564 0.4564 6.0829 6.0829 6.9605 6.9605 7.4356 7.4356 8.0715 8.0715 8.1760 8.1760 8.6445 8.6445 12.1337 12.1337 12.7613 12.7613 13.0314 13.0314 13.1119 13.1119 13.1191 13.1191 13.5912 13.5912 k = 0.3750 0.5052-0.0000 ( 6626 PWs) bands (ev): -44.7690 -44.7690 -44.7546 -44.7546 -21.5413 -21.5413 -21.5202 -21.5202 -20.9316 -20.9316 -20.9050 -20.9050 -20.8817 -20.8817 -20.7634 -20.7634 0.4159 0.4159 0.4643 0.4643 6.1187 6.1187 6.9332 6.9332 7.3673 7.3673 8.0721 8.0721 8.1848 8.1848 8.6383 8.6383 12.1901 12.1901 12.7884 12.7884 13.0169 13.0169 13.0929 13.0929 13.0979 13.0979 13.5595 13.5595 k = 0.3690 0.5155-0.0000 ( 6632 PWs) bands (ev): -44.7690 -44.7690 -44.7546 -44.7546 -21.5414 -21.5414 -21.5203 -21.5203 -20.9317 -20.9317 -20.9050 -20.9050 -20.8818 -20.8818 -20.7635 -20.7635 0.4242 0.4242 0.4708 0.4708 6.1533 6.1533 6.9038 6.9038 7.3085 7.3085 8.0740 8.0740 8.1924 8.1924 8.6325 8.6325 12.2420 12.2420 12.8158 12.8158 13.0024 13.0024 13.0712 13.0712 13.0800 13.0800 13.5287 13.5287 k = 0.3631 0.5258-0.0000 ( 6648 PWs) bands (ev): -44.7690 -44.7690 -44.7546 -44.7546 -21.5414 -21.5414 -21.5203 -21.5203 -20.9319 -20.9319 -20.9050 -20.9050 -20.8819 -20.8819 -20.7635 -20.7635 0.4324 0.4324 0.4759 0.4759 6.1856 6.1856 6.8731 6.8731 7.2602 7.2602 8.0769 8.0769 8.1987 8.1987 8.6272 8.6272 12.2886 12.2886 12.8430 12.8430 12.9880 12.9880 13.0511 13.0511 13.0623 13.0623 13.4997 13.4997 k = 0.3571 0.5361-0.0000 ( 6652 PWs) bands (ev): -44.7689 -44.7689 -44.7546 -44.7546 -21.5415 -21.5415 -21.5204 -21.5204 -20.9320 -20.9320 -20.9050 -20.9050 -20.8819 -20.8819 -20.7635 -20.7635 0.4404 0.4404 0.4793 0.4793 6.2144 6.2144 6.8430 6.8430 7.2221 7.2221 8.0806 8.0806 8.2033 8.2033 8.6226 8.6226 12.3292 12.3292 12.8694 12.8694 12.9741 12.9741 13.0341 13.0341 13.0444 13.0444 13.4733 13.4733 k = 0.3512 0.5464-0.0000 ( 6650 PWs) bands (ev): -44.7689 -44.7689 -44.7546 -44.7546 -21.5415 -21.5415 -21.5205 -21.5205 -20.9321 -20.9321 -20.9050 -20.9050 -20.8820 -20.8820 -20.7635 -20.7635 0.4483 0.4483 0.4807 0.4807 6.2382 6.2382 6.8163 6.8163 7.1937 7.1937 8.0846 8.0846 8.2063 8.2063 8.6186 8.6186 12.3627 12.3627 12.8937 12.8937 12.9621 12.9621 13.0204 13.0204 13.0271 13.0271 13.4508 13.4508 k = 0.3452 0.5567-0.0000 ( 6642 PWs) bands (ev): -44.7689 -44.7689 -44.7546 -44.7546 -21.5415 -21.5415 -21.5205 -21.5205 -20.9322 -20.9322 -20.9050 -20.9050 -20.8820 -20.8820 -20.7635 -20.7635 0.4559 0.4559 0.4802 0.4802 6.2558 6.2558 6.7956 6.7956 7.1742 7.1742 8.0886 8.0886 8.2077 8.2077 8.6155 8.6155 12.3878 12.3878 12.9133 12.9133 12.9552 12.9552 13.0078 13.0078 13.0128 13.0128 13.4332 13.4332 k = 0.3393 0.5670-0.0000 ( 6642 PWs) bands (ev): -44.7689 -44.7689 -44.7546 -44.7546 -21.5415 -21.5415 -21.5206 -21.5206 -20.9322 -20.9322 -20.9051 -20.9051 -20.8821 -20.8821 -20.7635 -20.7635 0.4629 0.4629 0.4775 0.4775 6.2661 6.2661 6.7829 6.7829 7.1627 7.1627 8.0919 8.0919 8.2079 8.2079 8.6135 8.6135 12.4034 12.4034 12.9230 12.9230 12.9583 12.9583 12.9932 12.9932 13.0059 13.0059 13.4218 13.4218 k = 0.3333 0.5774-0.0000 ( 6642 PWs) bands (ev): -44.7689 -44.7689 -44.7546 -44.7546 -21.5415 -21.5415 -21.5206 -21.5206 -20.9322 -20.9322 -20.9051 -20.9051 -20.8821 -20.8821 -20.7635 -20.7635 0.4674 0.4674 0.4745 0.4745 6.2693 6.2693 6.7788 6.7788 7.1589 7.1589 8.0933 8.0933 8.2077 8.2077 8.6128 8.6128 12.4086 12.4086 12.9246 12.9246 12.9643 12.9643 12.9850 12.9850 13.0037 13.0037 13.4178 13.4178 k = 0.3333 0.5774-0.0000 ( 6642 PWs) bands (ev): -44.7689 -44.7689 -44.7546 -44.7546 -21.5415 -21.5415 -21.5206 -21.5206 -20.9322 -20.9322 -20.9051 -20.9051 -20.8821 -20.8821 -20.7635 -20.7635 0.4674 0.4674 0.4745 0.4745 6.2693 6.2693 6.7788 6.7788 7.1589 7.1589 8.0933 8.0933 8.2077 8.2077 8.6128 8.6128 12.4086 12.4086 12.9246 12.9246 12.9643 12.9643 12.9850 12.9850 13.0037 13.0037 13.4178 13.4178 k = 0.3273 0.5669-0.0000 ( 6642 PWs) bands (ev): -44.7689 -44.7689 -44.7546 -44.7546 -21.5415 -21.5415 -21.5206 -21.5206 -20.9322 -20.9322 -20.9051 -20.9051 -20.8821 -20.8821 -20.7635 -20.7635 0.4617 0.4617 0.4786 0.4786 6.2666 6.2666 6.7825 6.7825 7.1628 7.1628 8.0913 8.0913 8.2084 8.2084 8.6136 8.6136 12.4033 12.4033 12.9234 12.9234 12.9588 12.9588 12.9920 12.9920 13.0063 13.0063 13.4222 13.4222 k = 0.3212 0.5564-0.0000 ( 6646 PWs) bands (ev): -44.7689 -44.7689 -44.7546 -44.7546 -21.5415 -21.5415 -21.5205 -21.5205 -20.9322 -20.9322 -20.9050 -20.9050 -20.8820 -20.8820 -20.7635 -20.7635 0.4506 0.4506 0.4846 0.4846 6.2603 6.2603 6.7920 6.7920 7.1746 7.1746 8.0840 8.0840 8.2115 8.2115 8.6163 8.6163 12.3882 12.3882 12.9178 12.9178 12.9540 12.9540 13.0017 13.0017 13.0148 13.0148 13.4355 13.4355 k = 0.3152 0.5459-0.0000 ( 6642 PWs) bands (ev): -44.7689 -44.7689 -44.7546 -44.7546 -21.5415 -21.5415 -21.5205 -21.5205 -20.9321 -20.9321 -20.9050 -20.9050 -20.8820 -20.8820 -20.7635 -20.7635 0.4362 0.4362 0.4904 0.4904 6.2528 6.2528 6.8049 6.8049 7.1944 7.1944 8.0705 8.0705 8.2180 8.2180 8.6211 8.6211 12.3647 12.3647 12.9072 12.9072 12.9543 12.9543 13.0095 13.0095 13.0295 13.0295 13.4575 13.4575 k = 0.3091 0.5354-0.0000 ( 6646 PWs) bands (ev): -44.7690 -44.7690 -44.7546 -44.7546 -21.5414 -21.5414 -21.5204 -21.5204 -20.9319 -20.9319 -20.9050 -20.9050 -20.8820 -20.8820 -20.7635 -20.7635 0.4186 0.4186 0.4957 0.4957 6.2465 6.2465 6.8193 6.8193 7.2217 7.2217 8.0503 8.0503 8.2282 8.2282 8.6281 8.6281 12.3344 12.3344 12.8944 12.8944 12.9571 12.9571 13.0154 13.0154 13.0497 13.0497 13.4873 13.4873 k = 0.3030 0.5249-0.0000 ( 6640 PWs) bands (ev): -44.7690 -44.7690 -44.7546 -44.7546 -21.5414 -21.5414 -21.5203 -21.5203 -20.9318 -20.9318 -20.9049 -20.9049 -20.8819 -20.8819 -20.7635 -20.7635 0.3977 0.3977 0.5004 0.5004 6.2431 6.2431 6.8338 6.8338 7.2561 7.2561 8.0241 8.0241 8.2418 8.2418 8.6376 8.6376 12.2988 12.2988 12.8812 12.8812 12.9609 12.9609 13.0201 13.0201 13.0739 13.0739 13.5239 13.5239 k = 0.2970 0.5144-0.0000 ( 6642 PWs) bands (ev): -44.7690 -44.7690 -44.7546 -44.7546 -21.5413 -21.5413 -21.5201 -21.5201 -20.9316 -20.9316 -20.9048 -20.9048 -20.8819 -20.8819 -20.7635 -20.7635 0.3735 0.3735 0.5046 0.5046 6.2440 6.2440 6.8480 6.8480 7.2965 7.2965 7.9926 7.9926 8.2583 8.2583 8.6495 8.6495 12.2592 12.2592 12.8685 12.8685 12.9655 12.9655 13.0244 13.0244 13.1005 13.1005 13.5661 13.5661 k = 0.2909 0.5039-0.0000 ( 6632 PWs) bands (ev): -44.7690 -44.7690 -44.7547 -44.7547 -21.5412 -21.5412 -21.5200 -21.5200 -20.9313 -20.9313 -20.9047 -20.9047 -20.8818 -20.8818 -20.7634 -20.7634 0.3460 0.3460 0.5081 0.5081 6.2502 6.2502 6.8619 6.8619 7.3415 7.3415 7.9568 7.9568 8.2775 8.2775 8.6641 8.6641 12.2166 12.2166 12.8565 12.8565 12.9709 12.9709 13.0289 13.0289 13.1284 13.1284 13.6128 13.6128 k = 0.2848 0.4934-0.0000 ( 6618 PWs) bands (ev): -44.7690 -44.7690 -44.7547 -44.7547 -21.5411 -21.5411 -21.5198 -21.5198 -20.9310 -20.9310 -20.9045 -20.9045 -20.8817 -20.8817 -20.7634 -20.7634 0.3153 0.3153 0.5109 0.5109 6.2622 6.2622 6.8756 6.8756 7.3895 7.3895 7.9181 7.9181 8.2990 8.2990 8.6812 8.6812 12.1717 12.1717 12.8455 12.8455 12.9773 12.9773 13.0339 13.0339 13.1566 13.1566 13.6628 13.6628 k = 0.2788 0.4829-0.0000 ( 6622 PWs) bands (ev): -44.7691 -44.7691 -44.7547 -44.7547 -21.5410 -21.5410 -21.5196 -21.5196 -20.9306 -20.9306 -20.9043 -20.9043 -20.8817 -20.8817 -20.7634 -20.7634 0.2815 0.2815 0.5130 0.5130 6.2806 6.2806 6.8893 6.8893 7.4383 7.4383 7.8781 7.8781 8.3227 8.3227 8.7010 8.7010 12.1252 12.1252 12.8355 12.8355 12.9848 12.9848 13.0397 13.0397 13.1845 13.1845 13.7134 13.7134 k = 0.2727 0.4724-0.0000 ( 6628 PWs) bands (ev): -44.7691 -44.7691 -44.7548 -44.7548 -21.5409 -21.5409 -21.5193 -21.5193 -20.9303 -20.9303 -20.9041 -20.9041 -20.8816 -20.8816 -20.7634 -20.7634 0.2446 0.2446 0.5144 0.5144 6.3056 6.3056 6.9033 6.9033 7.4844 7.4844 7.8402 7.8402 8.3486 8.3486 8.7233 8.7233 12.0777 12.0777 12.8265 12.8265 12.9932 12.9932 13.0463 13.0463 13.2115 13.2115 13.7438 13.7438 k = 0.2667 0.4619-0.0000 ( 6628 PWs) bands (ev): -44.7692 -44.7692 -44.7548 -44.7548 -21.5407 -21.5407 -21.5190 -21.5190 -20.9298 -20.9298 -20.9039 -20.9039 -20.8816 -20.8816 -20.7633 -20.7633 0.2049 0.2049 0.5150 0.5150 6.3373 6.3373 6.9177 6.9177 7.5216 7.5216 7.8106 7.8106 8.3766 8.3766 8.7482 8.7482 12.0294 12.0294 12.8188 12.8188 13.0025 13.0025 13.0533 13.0533 13.2371 13.2371 13.7118 13.7118 k = 0.2606 0.4514-0.0000 ( 6628 PWs) bands (ev): -44.7692 -44.7692 -44.7549 -44.7549 -21.5406 -21.5406 -21.5187 -21.5187 -20.9293 -20.9293 -20.9036 -20.9036 -20.8815 -20.8815 -20.7633 -20.7633 0.1625 0.1625 0.5149 0.5149 6.3758 6.3758 6.9323 6.9323 7.5395 7.5395 7.7998 7.7998 8.4067 8.4067 8.7757 8.7757 11.9808 11.9808 12.8122 12.8122 13.0128 13.0128 13.0606 13.0606 13.2611 13.2611 13.6664 13.6664 k = 0.2545 0.4409-0.0000 ( 6624 PWs) bands (ev): -44.7693 -44.7693 -44.7549 -44.7549 -21.5404 -21.5404 -21.5183 -21.5183 -20.9288 -20.9288 -20.9033 -20.9033 -20.8814 -20.8814 -20.7633 -20.7633 0.1176 0.1176 0.5140 0.5140 6.4210 6.4210 6.9468 6.9468 7.5305 7.5305 7.8161 7.8161 8.4390 8.4390 8.8057 8.8057 11.9321 11.9321 12.8068 12.8068 13.0238 13.0238 13.0677 13.0677 13.2830 13.2830 13.6207 13.6207 k = 0.2485 0.4304-0.0000 ( 6628 PWs) bands (ev): -44.7693 -44.7693 -44.7550 -44.7550 -21.5402 -21.5402 -21.5180 -21.5180 -20.9282 -20.9282 -20.9029 -20.9029 -20.8814 -20.8814 -20.7632 -20.7632 0.0704 0.0704 0.5123 0.5123 6.4728 6.4728 6.9604 6.9604 7.5001 7.5001 7.8546 7.8546 8.4734 8.4734 8.8382 8.8382 11.8837 11.8837 12.8026 12.8026 13.0354 13.0354 13.0741 13.0741 13.3025 13.3025 13.5768 13.5768 k = 0.2424 0.4199-0.0000 ( 6634 PWs) bands (ev): -44.7694 -44.7694 -44.7550 -44.7550 -21.5400 -21.5400 -21.5175 -21.5175 -20.9276 -20.9276 -20.9025 -20.9025 -20.8814 -20.8814 -20.7632 -20.7632 0.0211 0.0211 0.5099 0.5099 6.5312 6.5312 6.9717 6.9717 7.4599 7.4599 7.9052 7.9052 8.5100 8.5100 8.8733 8.8733 11.8357 11.8357 12.7996 12.7996 13.0472 13.0472 13.0792 13.0792 13.3193 13.3193 13.5354 13.5354 k = 0.2364 0.4094-0.0000 ( 6638 PWs) bands (ev): -44.7694 -44.7694 -44.7551 -44.7551 -21.5398 -21.5398 -21.5171 -21.5171 -20.9269 -20.9269 -20.9021 -20.9021 -20.8813 -20.8813 -20.7632 -20.7632 -0.0300 -0.0300 0.5067 0.5067 6.5959 6.5959 6.9785 6.9785 7.4184 7.4184 7.9617 7.9617 8.5487 8.5487 8.9108 8.9108 11.7884 11.7884 12.7978 12.7978 13.0579 13.0579 13.0832 13.0832 13.3331 13.3331 13.4976 13.4976 k = 0.2303 0.3989-0.0000 ( 6648 PWs) bands (ev): -44.7695 -44.7695 -44.7551 -44.7551 -21.5395 -21.5395 -21.5166 -21.5166 -20.9262 -20.9262 -20.9017 -20.9017 -20.8813 -20.8813 -20.7631 -20.7631 -0.0827 -0.0827 0.5028 0.5028 6.6667 6.6667 6.9777 6.9777 7.3822 7.3822 8.0208 8.0208 8.5898 8.5898 8.9508 8.9508 11.7420 11.7420 12.7972 12.7972 13.0641 13.0641 13.0883 13.0883 13.3436 13.3436 13.4644 13.4644 k = 0.2242 0.3884-0.0000 ( 6636 PWs) bands (ev): -44.7696 -44.7696 -44.7552 -44.7552 -21.5393 -21.5393 -21.5161 -21.5161 -20.9254 -20.9254 -20.9012 -20.9012 -20.8813 -20.8813 -20.7631 -20.7631 -0.1368 -0.1368 0.4982 0.4982 6.7433 6.7433 6.9654 6.9654 7.3569 7.3569 8.0808 8.0808 8.6331 8.6331 8.9932 8.9932 11.6967 11.6967 12.7978 12.7978 13.0610 13.0610 13.0978 13.0978 13.3505 13.3505 13.4369 13.4369 k = 0.2182 0.3779-0.0000 ( 6640 PWs) bands (ev): -44.7697 -44.7697 -44.7553 -44.7553 -21.5390 -21.5390 -21.5156 -21.5156 -20.9246 -20.9246 -20.9006 -20.9006 -20.8813 -20.8813 -20.7631 -20.7631 -0.1920 -0.1920 0.4929 0.4929 6.8252 6.8252 6.9394 6.9394 7.3460 7.3460 8.1407 8.1407 8.6787 8.6787 9.0381 9.0381 11.6526 11.6526 12.7994 12.7994 13.0492 13.0492 13.1102 13.1102 13.3535 13.3535 13.4159 13.4159 k = 0.2121 0.3674-0.0000 ( 6640 PWs) bands (ev): -44.7697 -44.7697 -44.7554 -44.7554 -21.5387 -21.5387 -21.5150 -21.5150 -20.9238 -20.9238 -20.9000 -20.9000 -20.8813 -20.8813 -20.7630 -20.7630 -0.2480 -0.2480 0.4870 0.4870 6.8918 6.8918 6.9204 6.9204 7.3498 7.3498 8.1998 8.1998 8.7267 8.7267 9.0855 9.0855 11.6100 11.6100 12.8021 12.8021 13.0301 13.0301 13.1235 13.1235 13.3527 13.3527 13.4016 13.4016 k = 0.2061 0.3569-0.0000 ( 6636 PWs) bands (ev): -44.7698 -44.7698 -44.7555 -44.7555 -21.5385 -21.5385 -21.5145 -21.5145 -20.9229 -20.9229 -20.8994 -20.8994 -20.8813 -20.8813 -20.7630 -20.7630 -0.3047 -0.3047 0.4805 0.4805 6.8458 6.8458 7.0083 7.0083 7.3660 7.3660 8.2576 8.2576 8.7770 8.7770 9.1353 9.1353 11.5689 11.5689 12.8059 12.8059 13.0048 13.0048 13.1368 13.1368 13.3480 13.3480 13.3932 13.3932 k = 0.2000 0.3464-0.0000 ( 6634 PWs) bands (ev): -44.7699 -44.7699 -44.7555 -44.7555 -21.5382 -21.5382 -21.5139 -21.5139 -20.9220 -20.9220 -20.8988 -20.8988 -20.8813 -20.8813 -20.7629 -20.7629 -0.3618 -0.3618 0.4734 0.4734 6.7875 6.7875 7.1058 7.1058 7.3917 7.3917 8.3137 8.3137 8.8298 8.8298 9.1875 9.1875 11.5294 11.5294 12.8105 12.8105 12.9744 12.9744 13.1496 13.1496 13.3399 13.3399 13.3896 13.3896 k = 0.1939 0.3359-0.0000 ( 6632 PWs) bands (ev): -44.7700 -44.7700 -44.7556 -44.7556 -21.5378 -21.5378 -21.5132 -21.5132 -20.9211 -20.9211 -20.8981 -20.8981 -20.8813 -20.8813 -20.7629 -20.7629 -0.4191 -0.4191 0.4658 0.4658 6.7242 6.7242 7.2079 7.2079 7.4244 7.4244 8.3677 8.3677 8.8850 8.8850 9.2422 9.2422 11.4918 11.4918 12.8160 12.8160 12.9403 12.9403 13.1614 13.1614 13.3282 13.3282 13.3897 13.3897 k = 0.1879 0.3254-0.0000 ( 6636 PWs) bands (ev): -44.7701 -44.7701 -44.7557 -44.7557 -21.5375 -21.5375 -21.5126 -21.5126 -20.9201 -20.9201 -20.8975 -20.8975 -20.8814 -20.8814 -20.7629 -20.7629 -0.4765 -0.4765 0.4577 0.4577 6.6578 6.6578 7.3139 7.3139 7.4629 7.4629 8.4195 8.4195 8.9427 8.9427 9.2993 9.2993 11.4560 11.4560 12.8221 12.8221 12.9036 12.9036 13.1717 13.1717 13.3133 13.3133 13.3927 13.3927 k = 0.1818 0.3149-0.0000 ( 6636 PWs) bands (ev): -44.7702 -44.7702 -44.7558 -44.7558 -21.5372 -21.5372 -21.5119 -21.5119 -20.9192 -20.9192 -20.8967 -20.8967 -20.8814 -20.8814 -20.7628 -20.7628 -0.5336 -0.5336 0.4492 0.4492 6.5897 6.5897 7.4216 7.4216 7.5079 7.5079 8.4687 8.4687 9.0028 9.0028 9.3588 9.3588 11.4221 11.4221 12.8280 12.8280 12.8660 12.8660 13.1799 13.1799 13.2955 13.2955 13.3977 13.3977 k = 0.1758 0.3044-0.0000 ( 6634 PWs) bands (ev): -44.7703 -44.7703 -44.7559 -44.7559 -21.5369 -21.5369 -21.5113 -21.5113 -20.9182 -20.9182 -20.8960 -20.8960 -20.8815 -20.8815 -20.7628 -20.7628 -0.5903 -0.5903 0.4403 0.4403 6.5209 6.5209 7.5188 7.5188 7.5704 7.5704 8.5152 8.5152 9.0655 9.0655 9.4207 9.4207 11.3903 11.3903 12.8195 12.8195 12.8422 12.8422 13.1848 13.1848 13.2759 13.2759 13.4040 13.4040 k = 0.1697 0.2939-0.0000 ( 6630 PWs) bands (ev): -44.7704 -44.7704 -44.7560 -44.7560 -21.5365 -21.5365 -21.5106 -21.5106 -20.9171 -20.9171 -20.8953 -20.8953 -20.8815 -20.8815 -20.7627 -20.7627 -0.6465 -0.6465 0.4311 0.4311 6.4520 6.4520 7.5822 7.5822 7.6729 7.6729 8.5589 8.5589 9.1306 9.1306 9.4850 9.4850 11.3605 11.3605 12.7821 12.7821 12.8473 12.8473 13.1846 13.1846 13.2565 13.2565 13.4112 13.4112 k = 0.1636 0.2834-0.0000 ( 6628 PWs) bands (ev): -44.7705 -44.7705 -44.7561 -44.7561 -21.5362 -21.5362 -21.5099 -21.5099 -20.9161 -20.9161 -20.8945 -20.8945 -20.8816 -20.8816 -20.7627 -20.7627 -0.7019 -0.7019 0.4216 0.4216 6.3835 6.3835 7.6347 7.6347 7.7916 7.7916 8.5997 8.5997 9.1983 9.1983 9.5517 9.5517 11.3327 11.3327 12.7420 12.7420 12.8551 12.8551 13.1762 13.1762 13.2403 13.2403 13.4188 13.4188 k = 0.1576 0.2729-0.0000 ( 6632 PWs) bands (ev): -44.7706 -44.7706 -44.7562 -44.7562 -21.5358 -21.5358 -21.5092 -21.5092 -20.9151 -20.9151 -20.8937 -20.8937 -20.8817 -20.8817 -20.7627 -20.7627 -0.7565 -0.7565 0.4119 0.4119 6.3158 6.3158 7.6866 7.6866 7.9154 7.9154 8.6377 8.6377 9.2685 9.2685 9.6207 9.6207 11.3070 11.3070 12.7017 12.7017 12.8633 12.8633 13.1579 13.1579 13.2290 13.2290 13.4266 13.4266 k = 0.1515 0.2624-0.0000 ( 6637 PWs) bands (ev): -44.7707 -44.7707 -44.7563 -44.7563 -21.5355 -21.5355 -21.5085 -21.5085 -20.9140 -20.9140 -20.8929 -20.8929 -20.8817 -20.8817 -20.7626 -20.7626 -0.8100 -0.8100 0.4021 0.4021 6.2491 6.2491 7.7393 7.7393 8.0425 8.0425 8.6730 8.6730 9.3413 9.3413 9.6921 9.6921 11.2833 11.2833 12.6617 12.6617 12.8713 12.8713 13.1323 13.1323 13.2201 13.2201 13.4343 13.4343 k = 0.1455 0.2519-0.0000 ( 6643 PWs) bands (ev): -44.7708 -44.7708 -44.7564 -44.7564 -21.5351 -21.5351 -21.5078 -21.5078 -20.9129 -20.9129 -20.8921 -20.8921 -20.8818 -20.8818 -20.7626 -20.7626 -0.8624 -0.8624 0.3921 0.3921 6.1838 6.1838 7.7927 7.7927 8.1717 8.1717 8.7059 8.7059 9.4166 9.4166 9.7659 9.7659 11.2616 11.2616 12.6224 12.6224 12.8786 12.8786 13.1025 13.1025 13.2106 13.2106 13.4420 13.4420 k = 0.1394 0.2414-0.0000 ( 6645 PWs) bands (ev): -44.7709 -44.7709 -44.7565 -44.7565 -21.5348 -21.5348 -21.5071 -21.5071 -20.9119 -20.9119 -20.8913 -20.8913 -20.8819 -20.8819 -20.7625 -20.7625 -0.9135 -0.9135 0.3821 0.3821 6.1200 6.1200 7.8466 7.8466 8.3021 8.3021 8.7368 8.7368 9.4943 9.4943 9.8419 9.8419 11.2418 11.2418 12.5837 12.5837 12.8846 12.8846 13.0709 13.0709 13.1987 13.1987 13.4493 13.4493 k = 0.1333 0.2309-0.0000 ( 6629 PWs) bands (ev): -44.7710 -44.7710 -44.7566 -44.7566 -21.5344 -21.5344 -21.5064 -21.5064 -20.9109 -20.9109 -20.8906 -20.8906 -20.8819 -20.8819 -20.7625 -20.7625 -0.9631 -0.9631 0.3721 0.3721 6.0580 6.0580 7.9010 7.9010 8.4323 8.4323 8.7671 8.7671 9.5746 9.5746 9.9202 9.9202 11.2240 11.2240 12.5460 12.5460 12.8881 12.8881 13.0389 13.0389 13.1835 13.1835 13.4564 13.4564 k = 0.1273 0.2204-0.0000 ( 6629 PWs) bands (ev): -44.7711 -44.7711 -44.7567 -44.7567 -21.5341 -21.5341 -21.5057 -21.5057 -20.9098 -20.9098 -20.8898 -20.8898 -20.8820 -20.8820 -20.7624 -20.7624 -1.0113 -1.0113 0.3622 0.3622 5.9978 5.9978 7.9555 7.9555 8.5588 8.5588 8.8000 8.8000 9.6574 9.6574 10.0006 10.0006 11.2080 11.2080 12.5094 12.5094 12.8870 12.8871 13.0087 13.0087 13.1647 13.1647 13.4631 13.4631 k = 0.1212 0.2099-0.0000 ( 6641 PWs) bands (ev): -44.7712 -44.7712 -44.7568 -44.7568 -21.5338 -21.5338 -21.5050 -21.5050 -20.9088 -20.9088 -20.8890 -20.8890 -20.8820 -20.8820 -20.7624 -20.7624 -1.0578 -1.0578 0.3523 0.3523 5.9397 5.9397 8.0097 8.0097 8.6716 8.6716 8.8452 8.8452 9.7426 9.7426 10.0832 10.0832 11.1937 11.1937 12.4739 12.4739 12.8782 12.8782 12.9833 12.9833 13.1422 13.1422 13.4694 13.4694 k = 0.1152 0.1994-0.0000 ( 6637 PWs) bands (ev): -44.7713 -44.7713 -44.7569 -44.7569 -21.5334 -21.5334 -21.5044 -21.5044 -20.9078 -20.9078 -20.8883 -20.8883 -20.8821 -20.8821 -20.7624 -20.7624 -1.1026 -1.1026 0.3426 0.3426 5.8838 5.8838 8.0635 8.0635 8.7492 8.7492 8.9240 8.9240 9.8301 9.8301 10.1679 10.1679 11.1813 11.1813 12.4396 12.4396 12.8585 12.8585 12.9652 12.9652 13.1163 13.1163 13.4753 13.4753 k = 0.1091 0.1890-0.0000 ( 6639 PWs) bands (ev): -44.7714 -44.7714 -44.7570 -44.7570 -21.5331 -21.5331 -21.5037 -21.5037 -20.9068 -20.9068 -20.8877 -20.8877 -20.8821 -20.8821 -20.7623 -20.7623 -1.1455 -1.1455 0.3331 0.3331 5.8301 5.8301 8.1165 8.1165 8.7902 8.7902 9.0376 9.0376 9.9199 9.9199 10.2546 10.2546 11.1707 11.1707 12.4067 12.4067 12.8284 12.8284 12.9527 12.9527 13.0877 13.0877 13.4808 13.4808 k = 0.1030 0.1785-0.0000 ( 6639 PWs) bands (ev): -44.7715 -44.7715 -44.7571 -44.7571 -21.5328 -21.5328 -21.5031 -21.5031 -20.9059 -20.9059 -20.8870 -20.8870 -20.8820 -20.8820 -20.7623 -20.7623 -1.1866 -1.1866 0.3239 0.3239 5.7789 5.7789 8.1683 8.1683 8.8146 8.8146 9.1657 9.1657 10.0119 10.0119 10.3431 10.3431 11.1619 11.1619 12.3751 12.3751 12.7914 12.7914 12.9411 12.9411 13.0575 13.0575 13.4859 13.4859 k = 0.0970 0.1680-0.0000 ( 6635 PWs) bands (ev): -44.7716 -44.7716 -44.7572 -44.7572 -21.5325 -21.5325 -21.5025 -21.5025 -20.9049 -20.9049 -20.8865 -20.8865 -20.8819 -20.8819 -20.7622 -20.7622 -1.2257 -1.2257 0.3150 0.3150 5.7301 5.7301 8.2187 8.2187 8.8323 8.8323 9.2983 9.2983 10.1058 10.1058 10.4334 10.4334 11.1552 11.1552 12.3451 12.3451 12.7499 12.7499 12.9256 12.9256 13.0271 13.0271 13.4905 13.4905 k = 0.0909 0.1575-0.0000 ( 6631 PWs) bands (ev): -44.7717 -44.7717 -44.7572 -44.7572 -21.5322 -21.5322 -21.5019 -21.5019 -20.9040 -20.9040 -20.8860 -20.8860 -20.8818 -20.8818 -20.7622 -20.7622 -1.2628 -1.2628 0.3063 0.3063 5.6839 5.6839 8.2671 8.2671 8.8468 8.8468 9.4316 9.4316 10.2013 10.2013 10.5253 10.5253 11.1507 11.1507 12.3165 12.3165 12.7052 12.7052 12.9028 12.9028 12.9984 12.9984 13.4948 13.4948 k = 0.0848 0.1470-0.0000 ( 6639 PWs) bands (ev): -44.7718 -44.7718 -44.7573 -44.7573 -21.5320 -21.5320 -21.5013 -21.5013 -20.9032 -20.9032 -20.8857 -20.8857 -20.8815 -20.8815 -20.7621 -20.7621 -1.2977 -1.2977 0.2981 0.2981 5.6403 5.6403 8.3134 8.3134 8.8593 8.8593 9.5640 9.5640 10.2979 10.2979 10.6186 10.6186 11.1489 11.1489 12.2896 12.2896 12.6577 12.6577 12.8712 12.8712 12.9710 12.9710 13.4986 13.4986 k = 0.0788 0.1365-0.0000 ( 6633 PWs) bands (ev): -44.7718 -44.7718 -44.7574 -44.7574 -21.5317 -21.5317 -21.5008 -21.5008 -20.9024 -20.9024 -20.8854 -20.8854 -20.8813 -20.8813 -20.7621 -20.7621 -1.3305 -1.3305 0.2902 0.2902 5.5995 5.5995 8.3570 8.3570 8.8707 8.8707 9.6945 9.6945 10.3947 10.3947 10.7131 10.7131 11.1507 11.1507 12.2643 12.2643 12.6077 12.6077 12.8323 12.8323 12.9427 12.9427 13.5021 13.5021 k = 0.0727 0.1260-0.0000 ( 6631 PWs) bands (ev): -44.7719 -44.7719 -44.7575 -44.7575 -21.5315 -21.5315 -21.5003 -21.5003 -20.9016 -20.9016 -20.8852 -20.8852 -20.8809 -20.8809 -20.7621 -20.7621 -1.3610 -1.3610 0.2829 0.2829 5.5615 5.5615 8.3976 8.3976 8.8815 8.8815 9.8221 9.8221 10.4903 10.4903 10.8085 10.8085 11.1572 11.1572 12.2407 12.2407 12.5553 12.5553 12.7881 12.7881 12.9101 12.9101 13.5052 13.5052 k = 0.0667 0.1155-0.0000 ( 6631 PWs) bands (ev): -44.7720 -44.7720 -44.7575 -44.7575 -21.5312 -21.5312 -21.4998 -21.4998 -20.9009 -20.9009 -20.8851 -20.8851 -20.8805 -20.8805 -20.7620 -20.7620 -1.3893 -1.3893 0.2759 0.2759 5.5262 5.5262 8.4348 8.4348 8.8922 8.8922 9.9462 9.9462 10.5826 10.5826 10.9044 10.9044 11.1704 11.1704 12.2189 12.2189 12.5007 12.5007 12.7402 12.7402 12.8706 12.8706 13.5079 13.5079 k = 0.0606 0.1050-0.0000 ( 6621 PWs) bands (ev): -44.7720 -44.7720 -44.7576 -44.7576 -21.5310 -21.5310 -21.4994 -21.4994 -20.9002 -20.9002 -20.8850 -20.8850 -20.8801 -20.8801 -20.7620 -20.7620 -1.4153 -1.4153 0.2695 0.2695 5.4939 5.4939 8.4685 8.4685 8.9028 8.9028 10.0661 10.0661 10.6684 10.6684 11.0003 11.0003 11.1936 11.1936 12.1988 12.1988 12.4442 12.4442 12.6893 12.6893 12.8228 12.8228 13.5103 13.5103 k = 0.0545 0.0945-0.0000 ( 6617 PWs) bands (ev): -44.7721 -44.7721 -44.7577 -44.7577 -21.5308 -21.5308 -21.4990 -21.4990 -20.8996 -20.8996 -20.8850 -20.8850 -20.8798 -20.8798 -20.7620 -20.7620 -1.4389 -1.4389 0.2636 0.2636 5.4645 5.4645 8.4983 8.4983 8.9137 8.9137 10.1812 10.1812 10.7434 10.7434 11.0952 11.0952 11.2308 11.2308 12.1805 12.1805 12.3862 12.3862 12.6357 12.6357 12.7662 12.7662 13.5124 13.5124 k = 0.0485 0.0840-0.0000 ( 6617 PWs) bands (ev): -44.7721 -44.7721 -44.7577 -44.7577 -21.5307 -21.5307 -21.4986 -21.4986 -20.8991 -20.8991 -20.8849 -20.8849 -20.8794 -20.8794 -20.7619 -20.7619 -1.4601 -1.4601 0.2583 0.2583 5.4382 5.4382 8.5242 8.5242 8.9247 8.9247 10.2909 10.2909 10.8037 10.8037 11.1885 11.1885 11.2860 11.2860 12.1640 12.1640 12.3273 12.3273 12.5796 12.5796 12.7012 12.7012 13.5140 13.5140 k = 0.0424 0.0735-0.0000 ( 6623 PWs) bands (ev): -44.7722 -44.7722 -44.7578 -44.7578 -21.5305 -21.5305 -21.4983 -21.4983 -20.8986 -20.8986 -20.8849 -20.8849 -20.8790 -20.8790 -20.7619 -20.7619 -1.4789 -1.4789 0.2535 0.2535 5.4148 5.4148 8.5462 8.5462 8.9357 8.9357 10.3945 10.3945 10.8476 10.8476 11.2806 11.2806 11.3591 11.3591 12.1495 12.1495 12.2684 12.2684 12.5207 12.5207 12.6287 12.6287 13.5153 13.5154 k = 0.0364 0.0630-0.0000 ( 6627 PWs) bands (ev): -44.7722 -44.7722 -44.7578 -44.7578 -21.5304 -21.5304 -21.4980 -21.4980 -20.8981 -20.8981 -20.8849 -20.8849 -20.8787 -20.8787 -20.7619 -20.7619 -1.4953 -1.4953 0.2494 0.2494 5.3945 5.3945 8.5645 8.5645 8.9464 8.9464 10.4912 10.4912 10.8767 10.8767 11.3738 11.3738 11.4449 11.4449 12.1368 12.1368 12.2105 12.2105 12.4588 12.4588 12.5500 12.5500 13.5162 13.5163 k = 0.0303 0.0525-0.0000 ( 6631 PWs) bands (ev): -44.7723 -44.7723 -44.7578 -44.7578 -21.5303 -21.5303 -21.4978 -21.4978 -20.8978 -20.8978 -20.8850 -20.8850 -20.8784 -20.8784 -20.7618 -20.7618 -1.5092 -1.5092 0.2458 0.2458 5.3772 5.3772 8.5792 8.5792 8.9565 8.9565 10.5800 10.5800 10.8942 10.8942 11.4697 11.4697 11.5372 11.5372 12.1260 12.1260 12.1551 12.1551 12.3936 12.3936 12.4668 12.4668 13.5166 13.5166 k = 0.0242 0.0420-0.0000 ( 6625 PWs) bands (ev): -44.7723 -44.7723 -44.7579 -44.7579 -21.5302 -21.5302 -21.4976 -21.4976 -20.8975 -20.8975 -20.8850 -20.8850 -20.8782 -20.8782 -20.7618 -20.7618 -1.5206 -1.5206 0.2429 0.2429 5.3631 5.3631 8.5907 8.5907 8.9654 8.9654 10.6597 10.6597 10.9030 10.9030 11.5675 11.5675 11.6319 11.6319 12.1038 12.1038 12.1172 12.1172 12.3247 12.3247 12.3804 12.3804 13.5163 13.5164 k = 0.0182 0.0315-0.0000 ( 6621 PWs) bands (ev): -44.7723 -44.7723 -44.7579 -44.7579 -21.5301 -21.5301 -21.4974 -21.4974 -20.8972 -20.8972 -20.8850 -20.8850 -20.8780 -20.8780 -20.7618 -20.7618 -1.5294 -1.5294 0.2406 0.2406 5.3521 5.3521 8.5993 8.5993 8.9729 8.9729 10.7289 10.7289 10.9048 10.9048 11.6656 11.6656 11.7266 11.7266 12.0587 12.0587 12.1102 12.1102 12.2520 12.2520 12.2929 12.2929 13.5154 13.5154 k = 0.0121 0.0210-0.0000 ( 6611 PWs) bands (ev): -44.7723 -44.7723 -44.7579 -44.7579 -21.5300 -21.5300 -21.4973 -21.4973 -20.8970 -20.8970 -20.8850 -20.8850 -20.8779 -20.8779 -20.7618 -20.7618 -1.5358 -1.5358 0.2390 0.2390 5.3442 5.3442 8.6052 8.6052 8.9786 8.9786 10.7864 10.7864 10.8998 10.8998 11.7616 11.7616 11.8196 11.8196 12.0206 12.0206 12.1050 12.1050 12.1758 12.1758 12.2079 12.2079 13.5141 13.5141 k = 0.0061 0.0105-0.0000 ( 6609 PWs) bands (ev): -44.7724 -44.7724 -44.7579 -44.7579 -21.5300 -21.5300 -21.4973 -21.4973 -20.8969 -20.8969 -20.8850 -20.8850 -20.8778 -20.8778 -20.7618 -20.7618 -1.5396 -1.5396 0.2380 0.2380 5.3395 5.3395 8.6087 8.6087 8.9821 8.9821 10.8313 10.8313 10.8874 10.8874 11.8514 11.8514 11.9080 11.9080 11.9863 11.9863 12.0977 12.0977 12.1006 12.1006 12.1362 12.1362 13.5131 13.5131 k = 0.0000 0.0000 0.0000 ( 6629 PWs) bands (ev): -44.7724 -44.7724 -44.7579 -44.7579 -21.5300 -21.5300 -21.4972 -21.4972 -20.8969 -20.8969 -20.8850 -20.8850 -20.8778 -20.8778 -20.7618 -20.7618 -1.5408 -1.5408 0.2376 0.2376 5.3379 5.3379 8.6098 8.6098 8.9833 8.9833 10.8588 10.8588 10.8710 10.8710 11.9113 11.9113 11.9529 11.9529 11.9676 11.9676 12.0416 12.0416 12.0933 12.0933 12.1100 12.1100 13.5127 13.5129 k = 0.0000 0.0000 0.0000 ( 6629 PWs) bands (ev): -44.7724 -44.7724 -44.7579 -44.7579 -21.5300 -21.5300 -21.4972 -21.4972 -20.8969 -20.8969 -20.8850 -20.8850 -20.8778 -20.8778 -20.7618 -20.7618 -1.5408 -1.5408 0.2376 0.2376 5.3379 5.3379 8.6098 8.6098 8.9833 8.9833 10.8588 10.8588 10.8710 10.8710 11.9113 11.9113 11.9529 11.9529 11.9676 11.9676 12.0416 12.0416 12.0933 12.0933 12.1100 12.1100 13.5127 13.5127 k = 0.0000 0.0000 0.0120 ( 6611 PWs) bands (ev): -44.7723 -44.7723 -44.7579 -44.7579 -21.5300 -21.5300 -21.4973 -21.4973 -20.8969 -20.8969 -20.8849 -20.8849 -20.8778 -20.8778 -20.7619 -20.7619 -1.5396 -1.5396 0.2349 0.2349 5.3428 5.3428 8.6112 8.6112 8.9847 8.9847 10.7975 10.7975 10.9209 10.9209 11.8907 11.8907 11.9531 11.9531 11.9611 11.9611 11.9686 11.9686 12.1359 12.1359 12.1736 12.1736 13.5124 13.5124 k = 0.0000 0.0000 0.0240 ( 6611 PWs) bands (ev): -44.7723 -44.7723 -44.7580 -44.7580 -21.5298 -21.5298 -21.4973 -21.4973 -20.8968 -20.8968 -20.8846 -20.8846 -20.8779 -20.8779 -20.7623 -20.7623 -1.5359 -1.5359 0.2266 0.2266 5.3576 5.3576 8.6153 8.6153 8.9888 8.9888 10.7211 10.7211 10.9630 10.9630 11.8487 11.8487 11.8574 11.8574 11.9570 11.9570 11.9715 11.9715 12.1946 12.1946 12.2734 12.2734 13.5116 13.5116 k = 0.0000 0.0000 0.0360 ( 6611 PWs) bands (ev): -44.7722 -44.7722 -44.7580 -44.7580 -21.5296 -21.5296 -21.4975 -21.4975 -20.8967 -20.8967 -20.8840 -20.8840 -20.8780 -20.8780 -20.7630 -20.7630 -1.5296 -1.5296 0.2128 0.2128 5.3822 5.3822 8.6222 8.6222 8.9956 8.9956 10.6363 10.6363 10.9888 10.9888 11.7537 11.7537 11.8071 11.8071 11.9618 11.9618 11.9763 11.9763 12.2658 12.2658 12.3717 12.3717 13.5105 13.5105 k = 0.0000 0.0000 0.0480 ( 6611 PWs) bands (ev): -44.7721 -44.7721 -44.7581 -44.7581 -21.5293 -21.5293 -21.4976 -21.4976 -20.8966 -20.8966 -20.8833 -20.8833 -20.8781 -20.8781 -20.7639 -20.7639 -1.5209 -1.5209 0.1939 0.1939 5.4163 5.4163 8.6318 8.6318 9.0051 9.0051 10.5442 10.5442 10.9956 10.9956 11.6501 11.6501 11.7756 11.7756 11.9685 11.9685 11.9830 11.9830 12.3418 12.3418 12.4663 12.4663 13.5098 13.5099 k = 0.0000 0.0000 0.0600 ( 6605 PWs) bands (ev): -44.7720 -44.7720 -44.7583 -44.7583 -21.5289 -21.5289 -21.4978 -21.4978 -20.8964 -20.8964 -20.8823 -20.8823 -20.8783 -20.8783 -20.7651 -20.7651 -1.5098 -1.5098 0.1699 0.1699 5.4597 5.4597 8.6441 8.6441 9.0174 9.0174 10.4454 10.4454 10.9815 10.9815 11.5470 11.5470 11.7586 11.7586 11.9772 11.9772 11.9916 11.9916 12.4190 12.4190 12.5555 12.5555 13.5104 13.5105 k = 0.0000 0.0000 0.0720 ( 6617 PWs) bands (ev): -44.7719 -44.7719 -44.7584 -44.7584 -21.5285 -21.5285 -21.4981 -21.4981 -20.8962 -20.8962 -20.8811 -20.8811 -20.8785 -20.8785 -20.7665 -20.7665 -1.4962 -1.4962 0.1413 0.1413 5.5121 5.5121 8.6592 8.6592 9.0324 9.0324 10.3406 10.3406 10.9472 10.9472 11.4448 11.4448 11.7572 11.7572 11.9878 11.9878 12.0020 12.0020 12.4951 12.4951 12.6371 12.6371 13.5135 13.5135 k = 0.0000 0.0000 0.0840 ( 6635 PWs) bands (ev): -44.7717 -44.7717 -44.7586 -44.7586 -21.5280 -21.5280 -21.4984 -21.4984 -20.8960 -20.8960 -20.8797 -20.8797 -20.8787 -20.8787 -20.7682 -20.7682 -1.4801 -1.4801 0.1083 0.1083 5.5730 5.5730 8.6770 8.6770 9.0501 9.0501 10.2301 10.2301 10.8956 10.8956 11.3437 11.3437 11.7699 11.7699 12.0003 12.0003 12.0143 12.0143 12.5676 12.5676 12.7088 12.7088 13.5207 13.5208 k = 0.0000 0.0000 0.0960 ( 6647 PWs) bands (ev): -44.7715 -44.7715 -44.7588 -44.7588 -21.5274 -21.5274 -21.4987 -21.4987 -20.8957 -20.8957 -20.8790 -20.8790 -20.8781 -20.8781 -20.7701 -20.7701 -1.4617 -1.4617 0.0713 0.0713 5.6423 5.6423 8.6975 8.6975 9.0705 9.0705 10.1143 10.1143 10.8305 10.8305 11.2437 11.2437 11.7940 11.7940 12.0146 12.0146 12.0285 12.0285 12.6343 12.6343 12.7681 12.7681 13.5342 13.5342 k = 0.0000 0.0000 0.1080 ( 6647 PWs) bands (ev): -44.7712 -44.7712 -44.7590 -44.7590 -21.5267 -21.5267 -21.4991 -21.4991 -20.8954 -20.8954 -20.8793 -20.8793 -20.8763 -20.8763 -20.7722 -20.7722 -1.4408 -1.4408 0.0307 0.0307 5.7193 5.7193 8.7208 8.7208 9.0936 9.0936 9.9935 9.9935 10.7558 10.7558 11.1451 11.1451 11.8268 11.8268 12.0307 12.0307 12.0444 12.0444 12.6926 12.6926 12.8133 12.8133 13.5561 13.5561 k = 0.0000 0.0000 0.1200 ( 6628 PWs) bands (ev): -44.7710 -44.7710 -44.7593 -44.7593 -21.5260 -21.5260 -21.4996 -21.4996 -20.8951 -20.8951 -20.8796 -20.8796 -20.8743 -20.8743 -20.7746 -20.7746 -1.4176 -1.4176 -0.0131 -0.0131 5.8038 5.8038 8.7468 8.7468 9.1194 9.1194 9.8681 9.8681 10.6746 10.6746 11.0480 11.0480 11.8661 11.8661 12.0486 12.0486 12.0621 12.0621 12.7401 12.7401 12.8438 12.8438 13.5887 13.5887 k = 0.0000 0.0000 0.1320 ( 6622 PWs) bands (ev): -44.7707 -44.7707 -44.7596 -44.7596 -21.5252 -21.5252 -21.5001 -21.5001 -20.8947 -20.8947 -20.8800 -20.8800 -20.8722 -20.8722 -20.7772 -20.7772 -1.3921 -1.3921 -0.0597 -0.0597 5.8952 5.8952 8.7754 8.7754 9.1479 9.1479 9.7384 9.7384 10.5893 10.5893 10.9524 10.9524 11.9106 11.9106 12.0683 12.0683 12.0816 12.0816 12.7751 12.7751 12.8604 12.8604 13.6335 13.6335 k = 0.0000 0.0000 0.1440 ( 6622 PWs) bands (ev): -44.7704 -44.7704 -44.7599 -44.7599 -21.5244 -21.5244 -21.5006 -21.5006 -20.8943 -20.8943 -20.8804 -20.8804 -20.8698 -20.8698 -20.7799 -20.7799 -1.3643 -1.3643 -0.1088 -0.1088 5.9931 5.9931 8.8068 8.8068 9.1791 9.1791 9.6046 9.6046 10.5017 10.5017 10.8585 10.8585 11.9591 11.9591 12.0896 12.0896 12.1027 12.1027 12.7973 12.7973 12.8649 12.8649 13.6909 13.6909 k = 0.0000 0.0000 0.1560 ( 6646 PWs) bands (ev): -44.7701 -44.7701 -44.7602 -44.7602 -21.5235 -21.5235 -21.5012 -21.5012 -20.8939 -20.8939 -20.8808 -20.8808 -20.8673 -20.8673 -20.7828 -20.7828 -1.3342 -1.3342 -0.1599 -0.1599 6.0971 6.0971 8.8409 8.8409 9.2129 9.2129 9.4672 9.4672 10.4130 10.4130 10.7664 10.7664 12.0112 12.0112 12.1127 12.1127 12.1254 12.1254 12.8074 12.8074 12.8594 12.8594 13.7600 13.7600 k = 0.0000 0.0000 0.1680 ( 6664 PWs) bands (ev): -44.7697 -44.7697 -44.7605 -44.7605 -21.5226 -21.5226 -21.5018 -21.5018 -20.8935 -20.8935 -20.8813 -20.8813 -20.8646 -20.8646 -20.7859 -20.7859 -1.3020 -1.3020 -0.2126 -0.2126 6.2069 6.2069 8.8776 8.8776 9.2493 9.2493 9.3265 9.3265 10.3243 10.3243 10.6761 10.6761 12.0664 12.0664 12.1373 12.1373 12.1497 12.1497 12.8069 12.8069 12.8459 12.8459 13.8393 13.8393 k = 0.0000 0.0000 0.1800 ( 6652 PWs) bands (ev): -44.7694 -44.7694 -44.7609 -44.7609 -21.5216 -21.5216 -21.5025 -21.5025 -20.8930 -20.8930 -20.8817 -20.8817 -20.8617 -20.8617 -20.7892 -20.7892 -1.2675 -1.2675 -0.2668 -0.2668 6.3218 6.3218 8.9170 8.9170 9.1829 9.1829 9.2884 9.2884 10.2362 10.2362 10.5877 10.5877 12.1245 12.1245 12.1635 12.1635 12.1755 12.1755 12.7977 12.7977 12.8263 12.8263 13.7484 13.7484 k = 0.0000 0.0000 0.1920 ( 6664 PWs) bands (ev): -44.7690 -44.7690 -44.7613 -44.7613 -21.5206 -21.5206 -21.5032 -21.5032 -20.8925 -20.8925 -20.8822 -20.8822 -20.8587 -20.8587 -20.7926 -20.7926 -1.2310 -1.2310 -0.3219 -0.3219 6.4417 6.4417 8.9591 8.9591 9.0369 9.0369 9.3301 9.3301 10.1492 10.1492 10.5013 10.5013 12.1852 12.1852 12.1912 12.1912 12.2027 12.2027 12.7816 12.7816 12.8019 12.8019 13.6544 13.6544 k = 0.0000 0.0000 0.2040 ( 6682 PWs) bands (ev): -44.7686 -44.7686 -44.7617 -44.7617 -21.5196 -21.5196 -21.5039 -21.5039 -20.8920 -20.8920 -20.8828 -20.8828 -20.8555 -20.8555 -20.7961 -20.7961 -1.1925 -1.1925 -0.3777 -0.3777 6.5661 6.5661 8.8889 8.8889 9.0038 9.0038 9.3743 9.3743 10.0637 10.0637 10.4168 10.4168 12.2203 12.2203 12.2313 12.2313 12.2486 12.2486 12.7603 12.7603 12.7738 12.7738 13.5608 13.5608 k = 0.0000 0.0000 0.2160 ( 6688 PWs) bands (ev): -44.7682 -44.7682 -44.7621 -44.7621 -21.5185 -21.5185 -21.5047 -21.5047 -20.8914 -20.8914 -20.8833 -20.8833 -20.8522 -20.8522 -20.7997 -20.7997 -1.1520 -1.1520 -0.4340 -0.4340 6.6947 6.6947 8.7393 8.7393 9.0512 9.0512 9.4212 9.4212 9.9800 9.9800 10.3345 10.3345 12.2507 12.2507 12.2611 12.2611 12.3143 12.3143 12.7349 12.7349 12.7429 12.7429 13.4678 13.4678 k = 0.0000 0.0000 0.2280 ( 6682 PWs) bands (ev): -44.7678 -44.7678 -44.7625 -44.7625 -21.5175 -21.5175 -21.5055 -21.5055 -20.8909 -20.8909 -20.8838 -20.8838 -20.8488 -20.8488 -20.8034 -20.8034 -1.1096 -1.1096 -0.4904 -0.4904 6.8270 6.8270 8.5886 8.5886 9.1012 9.1012 9.4706 9.4706 9.8982 9.8982 10.2542 10.2542 12.2823 12.2823 12.2922 12.2922 12.3822 12.3822 12.7068 12.7068 12.7099 12.7099 13.3756 13.3756 k = 0.0000 0.0000 0.2400 ( 6682 PWs) bands (ev): -44.7674 -44.7674 -44.7629 -44.7629 -21.5164 -21.5164 -21.5064 -21.5064 -20.8903 -20.8903 -20.8844 -20.8844 -20.8453 -20.8453 -20.8071 -20.8071 -1.0654 -1.0654 -0.5468 -0.5468 6.9628 6.9628 8.4371 8.4371 9.1538 9.1538 9.5226 9.5226 9.8186 9.8186 10.1761 10.1761 12.3151 12.3151 12.3242 12.3242 12.4517 12.4517 12.6752 12.6752 12.6772 12.6772 13.2844 13.2844 k = 0.0000 0.0000 0.2520 ( 6682 PWs) bands (ev): -44.7669 -44.7669 -44.7633 -44.7633 -21.5154 -21.5154 -21.5073 -21.5073 -20.8897 -20.8897 -20.8850 -20.8850 -20.8417 -20.8417 -20.8110 -20.8110 -1.0194 -1.0194 -0.6029 -0.6029 7.1017 7.1017 8.2852 8.2852 9.2089 9.2089 9.5770 9.5770 9.7412 9.7412 10.1003 10.1003 12.3490 12.3490 12.3572 12.3572 12.5204 12.5204 12.6395 12.6395 12.6489 12.6489 13.1944 13.1944 k = 0.0000 0.0000 0.2640 ( 6682 PWs) bands (ev): -44.7665 -44.7665 -44.7638 -44.7638 -21.5143 -21.5143 -21.5082 -21.5082 -20.8892 -20.8892 -20.8856 -20.8856 -20.8380 -20.8380 -20.8148 -20.8148 -0.9718 -0.9718 -0.6584 -0.6584 7.2434 7.2434 8.1334 8.1334 9.2667 9.2667 9.6340 9.6340 9.6661 9.6661 10.0266 10.0266 12.3837 12.3837 12.3910 12.3910 12.5704 12.5704 12.6030 12.6030 12.6405 12.6405 13.1058 13.1058 k = 0.0000 0.0000 0.2760 ( 6670 PWs) bands (ev): -44.7660 -44.7660 -44.7642 -44.7642 -21.5132 -21.5132 -21.5092 -21.5092 -20.8886 -20.8886 -20.8862 -20.8862 -20.8342 -20.8342 -20.8187 -20.8187 -0.9227 -0.9227 -0.7133 -0.7133 7.3875 7.3875 7.9820 7.9820 9.3270 9.3270 9.5934 9.5934 9.6934 9.6934 9.9553 9.9553 12.4193 12.4193 12.4253 12.4253 12.5595 12.5595 12.5661 12.5661 12.6945 12.6945 13.0188 13.0188 k = 0.0000 0.0000 0.2880 ( 6670 PWs) bands (ev): -44.7656 -44.7656 -44.7647 -44.7647 -21.5122 -21.5122 -21.5102 -21.5102 -20.8880 -20.8880 -20.8868 -20.8868 -20.8304 -20.8304 -20.8226 -20.8226 -0.8722 -0.8722 -0.7673 -0.7673 7.5338 7.5338 7.8313 7.8313 9.3899 9.3899 9.5231 9.5231 9.7553 9.7553 9.8863 9.8863 12.4555 12.4555 12.4600 12.4600 12.5286 12.5286 12.5291 12.5291 12.7700 12.7700 12.9336 12.9336 k = 0.0000 0.0000 0.3000 ( 6670 PWs) bands (ev): -44.7651 -44.7651 -44.7651 -44.7651 -21.5112 -21.5112 -21.5112 -21.5112 -20.8874 -20.8874 -20.8874 -20.8874 -20.8265 -20.8265 -20.8265 -20.8265 -0.8203 -0.8203 -0.8203 -0.8203 7.6818 7.6818 7.6818 7.6818 9.4552 9.4552 9.4552 9.4552 9.8196 9.8196 9.8196 9.8196 12.4921 12.4921 12.4921 12.4921 12.4946 12.4946 12.4946 12.4946 12.8504 12.8504 12.8504 12.8504 k = 0.0000 0.0000 0.3000 ( 6670 PWs) bands (ev): -44.7651 -44.7651 -44.7651 -44.7651 -21.5112 -21.5112 -21.5112 -21.5112 -20.8874 -20.8874 -20.8874 -20.8874 -20.8265 -20.8265 -20.8265 -20.8265 -0.8203 -0.8203 -0.8203 -0.8203 7.6818 7.6818 7.6818 7.6818 9.4552 9.4552 9.4552 9.4552 9.8196 9.8196 9.8196 9.8196 12.4921 12.4921 12.4921 12.4921 12.4946 12.4946 12.4946 12.4946 12.8504 12.8504 12.8504 12.8504 k = 0.0104 0.0060 0.3000 ( 6666 PWs) bands (ev): -44.7651 -44.7651 -44.7651 -44.7651 -21.5112 -21.5112 -21.5112 -21.5112 -20.8874 -20.8874 -20.8874 -20.8874 -20.8265 -20.8265 -20.8265 -20.8265 -0.8194 -0.8194 -0.8194 -0.8194 7.6813 7.6813 7.6813 7.6813 9.4534 9.4534 9.4534 9.4534 9.8177 9.8177 9.8177 9.8177 12.4910 12.4910 12.4910 12.4910 12.4943 12.4943 12.4943 12.4943 12.8533 12.8533 12.8533 12.8533 k = 0.0208 0.0120 0.3000 ( 6662 PWs) bands (ev): -44.7651 -44.7651 -44.7651 -44.7651 -21.5112 -21.5112 -21.5112 -21.5112 -20.8875 -20.8875 -20.8875 -20.8875 -20.8265 -20.8265 -20.8265 -20.8265 -0.8165 -0.8165 -0.8165 -0.8165 7.6796 7.6796 7.6796 7.6796 9.4480 9.4480 9.4480 9.4480 9.8121 9.8121 9.8121 9.8121 12.4866 12.4866 12.4866 12.4866 12.4941 12.4941 12.4941 12.4941 12.8618 12.8618 12.8618 12.8618 k = 0.0312 0.0180 0.3000 ( 6658 PWs) bands (ev): -44.7651 -44.7651 -44.7651 -44.7651 -21.5113 -21.5113 -21.5113 -21.5113 -20.8876 -20.8876 -20.8876 -20.8876 -20.8265 -20.8265 -20.8265 -20.8265 -0.8116 -0.8116 -0.8116 -0.8116 7.6767 7.6767 7.6767 7.6767 9.4388 9.4388 9.4388 9.4388 9.8031 9.8031 9.8031 9.8031 12.4788 12.4788 12.4788 12.4788 12.4944 12.4944 12.4944 12.4944 12.8760 12.8760 12.8760 12.8760 k = 0.0417 0.0241 0.3000 ( 6656 PWs) bands (ev): -44.7651 -44.7651 -44.7651 -44.7651 -21.5114 -21.5114 -21.5114 -21.5114 -20.8878 -20.8878 -20.8878 -20.8878 -20.8265 -20.8265 -20.8265 -20.8265 -0.8048 -0.8048 -0.8048 -0.8048 7.6726 7.6726 7.6726 7.6726 9.4259 9.4259 9.4259 9.4259 9.7910 9.7910 9.7910 9.7910 12.4677 12.4677 12.4677 12.4677 12.4950 12.4950 12.4950 12.4950 12.8955 12.8955 12.8955 12.8955 k = 0.0521 0.0301 0.3000 ( 6652 PWs) bands (ev): -44.7651 -44.7651 -44.7651 -44.7651 -21.5116 -21.5116 -21.5116 -21.5116 -20.8881 -20.8881 -20.8881 -20.8881 -20.8265 -20.8265 -20.8265 -20.8265 -0.7962 -0.7962 -0.7962 -0.7962 7.6671 7.6671 7.6671 7.6671 9.4091 9.4091 9.4091 9.4091 9.7765 9.7765 9.7765 9.7765 12.4533 12.4533 12.4533 12.4533 12.4959 12.4959 12.4959 12.4959 12.9202 12.9202 12.9202 12.9202 k = 0.0625 0.0361 0.3000 ( 6656 PWs) bands (ev): -44.7650 -44.7650 -44.7650 -44.7650 -21.5118 -21.5118 -21.5118 -21.5118 -20.8884 -20.8884 -20.8884 -20.8884 -20.8265 -20.8265 -20.8265 -20.8265 -0.7856 -0.7856 -0.7856 -0.7856 7.6602 7.6602 7.6602 7.6602 9.3884 9.3884 9.3884 9.3884 9.7601 9.7601 9.7601 9.7601 12.4357 12.4357 12.4357 12.4357 12.4971 12.4971 12.4971 12.4971 12.9497 12.9497 12.9497 12.9497 k = 0.0729 0.0421 0.3000 ( 6660 PWs) bands (ev): -44.7650 -44.7650 -44.7650 -44.7650 -21.5120 -21.5120 -21.5120 -21.5120 -20.8888 -20.8888 -20.8888 -20.8888 -20.8265 -20.8265 -20.8265 -20.8265 -0.7731 -0.7731 -0.7731 -0.7731 7.6515 7.6515 7.6515 7.6515 9.3638 9.3638 9.3638 9.3638 9.7423 9.7423 9.7423 9.7423 12.4150 12.4150 12.4150 12.4150 12.4989 12.4989 12.4989 12.4989 12.9836 12.9836 12.9836 12.9836 k = 0.0833 0.0481 0.3000 ( 6648 PWs) bands (ev): -44.7649 -44.7649 -44.7649 -44.7649 -21.5122 -21.5122 -21.5122 -21.5122 -20.8893 -20.8893 -20.8893 -20.8893 -20.8265 -20.8265 -20.8265 -20.8265 -0.7588 -0.7588 -0.7588 -0.7588 7.6410 7.6410 7.6410 7.6410 9.3356 9.3356 9.3356 9.3356 9.7237 9.7237 9.7237 9.7237 12.3914 12.3914 12.3914 12.3914 12.5012 12.5012 12.5012 12.5012 13.0213 13.0213 13.0213 13.0213 k = 0.0938 0.0541 0.3000 ( 6640 PWs) bands (ev): -44.7649 -44.7649 -44.7649 -44.7649 -21.5125 -21.5125 -21.5125 -21.5125 -20.8897 -20.8897 -20.8897 -20.8897 -20.8265 -20.8265 -20.8265 -20.8265 -0.7427 -0.7427 -0.7427 -0.7427 7.6283 7.6283 7.6283 7.6283 9.3040 9.3040 9.3040 9.3040 9.7047 9.7047 9.7047 9.7047 12.3649 12.3649 12.3649 12.3649 12.5043 12.5043 12.5043 12.5043 13.0622 13.0622 13.0622 13.0622 k = 0.1042 0.0601 0.3000 ( 6638 PWs) bands (ev): -44.7648 -44.7648 -44.7648 -44.7648 -21.5128 -21.5128 -21.5128 -21.5128 -20.8903 -20.8903 -20.8903 -20.8903 -20.8264 -20.8264 -20.8264 -20.8264 -0.7249 -0.7249 -0.7249 -0.7249 7.6133 7.6133 7.6133 7.6133 9.2696 9.2696 9.2696 9.2696 9.6856 9.6856 9.6856 9.6856 12.3359 12.3359 12.3359 12.3359 12.5081 12.5081 12.5081 12.5081 13.1059 13.1059 13.1059 13.1059 k = 0.1146 0.0662 0.3000 ( 6646 PWs) bands (ev): -44.7648 -44.7648 -44.7648 -44.7648 -21.5131 -21.5131 -21.5131 -21.5131 -20.8909 -20.8909 -20.8909 -20.8909 -20.8264 -20.8264 -20.8264 -20.8264 -0.7053 -0.7053 -0.7053 -0.7053 7.5957 7.5957 7.5957 7.5957 9.2328 9.2328 9.2328 9.2328 9.6664 9.6664 9.6664 9.6664 12.3047 12.3047 12.3047 12.3047 12.5129 12.5129 12.5129 12.5129 13.1516 13.1516 13.1516 13.1516 k = 0.1250 0.0722 0.3000 ( 6650 PWs) bands (ev): -44.7647 -44.7647 -44.7647 -44.7647 -21.5134 -21.5134 -21.5134 -21.5134 -20.8915 -20.8915 -20.8915 -20.8915 -20.8264 -20.8264 -20.8264 -20.8264 -0.6840 -0.6840 -0.6840 -0.6840 7.5752 7.5752 7.5752 7.5752 9.1944 9.1944 9.1944 9.1944 9.6474 9.6474 9.6474 9.6474 12.2713 12.2713 12.2713 12.2713 12.5188 12.5188 12.5188 12.5188 13.1987 13.1987 13.1987 13.1987 k = 0.1354 0.0782 0.3000 ( 6632 PWs) bands (ev): -44.7646 -44.7646 -44.7646 -44.7646 -21.5138 -21.5138 -21.5138 -21.5138 -20.8922 -20.8922 -20.8922 -20.8922 -20.8264 -20.8264 -20.8264 -20.8264 -0.6610 -0.6610 -0.6610 -0.6610 7.5515 7.5515 7.5515 7.5515 9.1550 9.1550 9.1550 9.1550 9.6284 9.6284 9.6284 9.6284 12.2363 12.2363 12.2363 12.2363 12.5258 12.5258 12.5258 12.5258 13.2466 13.2466 13.2466 13.2466 k = 0.1458 0.0842 0.3000 ( 6642 PWs) bands (ev): -44.7646 -44.7646 -44.7646 -44.7646 -21.5142 -21.5142 -21.5142 -21.5142 -20.8929 -20.8929 -20.8929 -20.8929 -20.8263 -20.8263 -20.8263 -20.8263 -0.6365 -0.6365 -0.6365 -0.6365 7.5243 7.5243 7.5243 7.5243 9.1154 9.1154 9.1154 9.1154 9.6096 9.6096 9.6096 9.6096 12.1998 12.1998 12.1998 12.1998 12.5342 12.5342 12.5342 12.5342 13.2945 13.2945 13.2945 13.2945 k = 0.1562 0.0902 0.3000 ( 6650 PWs) bands (ev): -44.7645 -44.7645 -44.7645 -44.7645 -21.5146 -21.5146 -21.5146 -21.5146 -20.8937 -20.8937 -20.8937 -20.8937 -20.8263 -20.8263 -20.8263 -20.8263 -0.6104 -0.6104 -0.6104 -0.6104 7.4935 7.4935 7.4935 7.4935 9.0762 9.0762 9.0762 9.0762 9.5908 9.5908 9.5908 9.5908 12.1623 12.1623 12.1623 12.1623 12.5439 12.5439 12.5439 12.5439 13.3419 13.3419 13.3419 13.3419 k = 0.1667 0.0962 0.3000 ( 6652 PWs) bands (ev): -44.7644 -44.7644 -44.7644 -44.7644 -21.5151 -21.5151 -21.5151 -21.5151 -20.8944 -20.8944 -20.8944 -20.8944 -20.8263 -20.8263 -20.8263 -20.8263 -0.5829 -0.5829 -0.5829 -0.5829 7.4589 7.4589 7.4589 7.4589 9.0381 9.0381 9.0381 9.0381 9.5721 9.5721 9.5721 9.5721 12.1239 12.1239 12.1239 12.1239 12.5550 12.5550 12.5550 12.5550 13.3879 13.3879 13.3879 13.3879 k = 0.1771 0.1022 0.3000 ( 6648 PWs) bands (ev): -44.7643 -44.7643 -44.7643 -44.7643 -21.5155 -21.5155 -21.5155 -21.5155 -20.8953 -20.8953 -20.8953 -20.8953 -20.8262 -20.8262 -20.8262 -20.8262 -0.5540 -0.5540 -0.5540 -0.5540 7.4203 7.4203 7.4203 7.4203 9.0015 9.0015 9.0015 9.0015 9.5533 9.5533 9.5533 9.5533 12.0852 12.0852 12.0852 12.0852 12.5677 12.5677 12.5677 12.5677 13.4317 13.4317 13.4317 13.4317 k = 0.1875 0.1083 0.3000 ( 6652 PWs) bands (ev): -44.7642 -44.7642 -44.7642 -44.7642 -21.5160 -21.5160 -21.5160 -21.5160 -20.8961 -20.8961 -20.8961 -20.8961 -20.8262 -20.8262 -20.8262 -20.8262 -0.5238 -0.5238 -0.5238 -0.5238 7.3778 7.3778 7.3778 7.3778 8.9668 8.9668 8.9668 8.9668 9.5346 9.5346 9.5346 9.5346 12.0464 12.0464 12.0464 12.0464 12.5820 12.5820 12.5820 12.5820 13.4727 13.4727 13.4727 13.4727 k = 0.1979 0.1143 0.3000 ( 6656 PWs) bands (ev): -44.7641 -44.7641 -44.7641 -44.7641 -21.5165 -21.5165 -21.5165 -21.5165 -20.8970 -20.8970 -20.8970 -20.8970 -20.8262 -20.8262 -20.8262 -20.8262 -0.4923 -0.4923 -0.4923 -0.4923 7.3312 7.3312 7.3312 7.3312 8.9343 8.9343 8.9343 8.9343 9.5159 9.5159 9.5159 9.5159 12.0078 12.0078 12.0078 12.0078 12.5979 12.5979 12.5979 12.5979 13.5101 13.5101 13.5101 13.5101 k = 0.2083 0.1203 0.3000 ( 6658 PWs) bands (ev): -44.7640 -44.7640 -44.7640 -44.7640 -21.5170 -21.5170 -21.5170 -21.5170 -20.8979 -20.8979 -20.8979 -20.8979 -20.8261 -20.8261 -20.8261 -20.8261 -0.4597 -0.4597 -0.4597 -0.4597 7.2809 7.2809 7.2809 7.2809 8.9043 8.9043 8.9043 8.9043 9.4971 9.4971 9.4971 9.4971 11.9698 11.9698 11.9698 11.9698 12.6155 12.6155 12.6155 12.6155 13.5432 13.5432 13.5432 13.5432 k = 0.2188 0.1263 0.3000 ( 6646 PWs) bands (ev): -44.7639 -44.7639 -44.7639 -44.7639 -21.5175 -21.5175 -21.5175 -21.5175 -20.8988 -20.8988 -20.8988 -20.8988 -20.8261 -20.8261 -20.8261 -20.8261 -0.4261 -0.4261 -0.4261 -0.4261 7.2270 7.2270 7.2270 7.2270 8.8766 8.8766 8.8766 8.8766 9.4784 9.4784 9.4784 9.4784 11.9327 11.9327 11.9327 11.9327 12.6348 12.6348 12.6348 12.6348 13.5716 13.5716 13.5716 13.5716 k = 0.2292 0.1323 0.3000 ( 6642 PWs) bands (ev): -44.7638 -44.7638 -44.7638 -44.7638 -21.5180 -21.5180 -21.5180 -21.5180 -20.8997 -20.8997 -20.8997 -20.8997 -20.8260 -20.8260 -20.8260 -20.8260 -0.3915 -0.3915 -0.3915 -0.3915 7.1699 7.1699 7.1699 7.1699 8.8514 8.8514 8.8514 8.8514 9.4598 9.4598 9.4598 9.4598 11.8967 11.8967 11.8967 11.8967 12.6557 12.6557 12.6557 12.6557 13.5951 13.5951 13.5951 13.5951 k = 0.2396 0.1383 0.3000 ( 6652 PWs) bands (ev): -44.7637 -44.7637 -44.7637 -44.7637 -21.5185 -21.5185 -21.5185 -21.5185 -20.9006 -20.9006 -20.9006 -20.9006 -20.8260 -20.8260 -20.8260 -20.8260 -0.3562 -0.3562 -0.3562 -0.3562 7.1097 7.1097 7.1097 7.1097 8.8286 8.8286 8.8286 8.8286 9.4413 9.4413 9.4413 9.4413 11.8623 11.8623 11.8623 11.8623 12.6783 12.6783 12.6783 12.6783 13.6137 13.6137 13.6137 13.6137 k = 0.2500 0.1443 0.3000 ( 6656 PWs) bands (ev): -44.7636 -44.7636 -44.7636 -44.7636 -21.5190 -21.5190 -21.5190 -21.5190 -20.9016 -20.9016 -20.9016 -20.9016 -20.8259 -20.8259 -20.8259 -20.8259 -0.3201 -0.3201 -0.3201 -0.3201 7.0471 7.0471 7.0471 7.0471 8.8079 8.8079 8.8079 8.8079 9.4229 9.4229 9.4229 9.4229 11.8295 11.8295 11.8295 11.8295 12.7026 12.7026 12.7026 12.7026 13.6276 13.6276 13.6276 13.6276 k = 0.2604 0.1504 0.3000 ( 6642 PWs) bands (ev): -44.7635 -44.7635 -44.7635 -44.7635 -21.5195 -21.5195 -21.5195 -21.5195 -20.9025 -20.9025 -20.9025 -20.9025 -20.8258 -20.8258 -20.8258 -20.8258 -0.2834 -0.2834 -0.2834 -0.2834 6.9823 6.9823 6.9823 6.9823 8.7892 8.7892 8.7892 8.7892 9.4048 9.4048 9.4048 9.4048 11.7986 11.7986 11.7986 11.7986 12.7285 12.7285 12.7285 12.7285 13.6374 13.6374 13.6374 13.6374 k = 0.2708 0.1564 0.3000 ( 6628 PWs) bands (ev): -44.7634 -44.7634 -44.7634 -44.7634 -21.5201 -21.5201 -21.5201 -21.5201 -20.9034 -20.9034 -20.9034 -20.9034 -20.8258 -20.8258 -20.8258 -20.8258 -0.2463 -0.2463 -0.2463 -0.2463 6.9160 6.9160 6.9160 6.9160 8.7724 8.7724 8.7724 8.7724 9.3869 9.3869 9.3869 9.3869 11.7699 11.7699 11.7699 11.7699 12.7559 12.7559 12.7559 12.7559 13.6436 13.6436 13.6436 13.6436 k = 0.2812 0.1624 0.3000 ( 6644 PWs) bands (ev): -44.7633 -44.7633 -44.7633 -44.7633 -21.5206 -21.5206 -21.5206 -21.5206 -20.9043 -20.9043 -20.9043 -20.9043 -20.8257 -20.8257 -20.8257 -20.8257 -0.2089 -0.2089 -0.2089 -0.2089 6.8485 6.8485 6.8485 6.8485 8.7571 8.7571 8.7571 8.7571 9.3694 9.3694 9.3694 9.3694 11.7434 11.7434 11.7434 11.7434 12.7848 12.7848 12.7848 12.7848 13.6471 13.6471 13.6471 13.6471 k = 0.2917 0.1684 0.3000 ( 6640 PWs) bands (ev): -44.7632 -44.7632 -44.7632 -44.7632 -21.5211 -21.5211 -21.5211 -21.5211 -20.9052 -20.9052 -20.9052 -20.9052 -20.8256 -20.8256 -20.8256 -20.8256 -0.1714 -0.1714 -0.1714 -0.1714 6.7803 6.7803 6.7803 6.7803 8.7432 8.7432 8.7432 8.7432 9.3522 9.3522 9.3522 9.3522 11.7192 11.7192 11.7192 11.7192 12.8151 12.8151 12.8151 12.8151 13.6484 13.6484 13.6484 13.6484 k = 0.3021 0.1744 0.3000 ( 6640 PWs) bands (ev): -44.7632 -44.7632 -44.7632 -44.7632 -21.5216 -21.5216 -21.5216 -21.5216 -20.9061 -20.9061 -20.9061 -20.9061 -20.8256 -20.8256 -20.8256 -20.8256 -0.1338 -0.1338 -0.1338 -0.1338 6.7118 6.7118 6.7118 6.7118 8.7306 8.7306 8.7306 8.7306 9.3355 9.3355 9.3355 9.3355 11.6975 11.6975 11.6975 11.6975 12.8467 12.8467 12.8467 12.8467 13.6481 13.6481 13.6481 13.6481 k = 0.3125 0.1804 0.3000 ( 6632 PWs) bands (ev): -44.7631 -44.7631 -44.7631 -44.7631 -21.5221 -21.5221 -21.5221 -21.5221 -20.9070 -20.9070 -20.9070 -20.9070 -20.8255 -20.8255 -20.8255 -20.8255 -0.0965 -0.0965 -0.0965 -0.0965 6.6437 6.6437 6.6437 6.6437 8.7189 8.7189 8.7189 8.7189 9.3192 9.3192 9.3192 9.3192 11.6783 11.6783 11.6783 11.6783 12.8795 12.8795 12.8795 12.8795 13.6468 13.6468 13.6468 13.6468 k = 0.3229 0.1864 0.3000 ( 6632 PWs) bands (ev): -44.7630 -44.7630 -44.7630 -44.7630 -21.5226 -21.5226 -21.5226 -21.5226 -20.9079 -20.9079 -20.9079 -20.9079 -20.8255 -20.8255 -20.8255 -20.8255 -0.0595 -0.0595 -0.0595 -0.0595 6.5762 6.5762 6.5762 6.5762 8.7081 8.7081 8.7081 8.7081 9.3035 9.3035 9.3035 9.3035 11.6615 11.6615 11.6615 11.6615 12.9134 12.9134 12.9134 12.9134 13.6447 13.6447 13.6447 13.6447 k = 0.3333 0.1925 0.3000 ( 6628 PWs) bands (ev): -44.7629 -44.7629 -44.7629 -44.7629 -21.5230 -21.5230 -21.5230 -21.5230 -20.9087 -20.9087 -20.9087 -20.9087 -20.8254 -20.8254 -20.8254 -20.8254 -0.0231 -0.0231 -0.0231 -0.0231 6.5099 6.5099 6.5099 6.5099 8.6982 8.6982 8.6982 8.6982 9.2884 9.2884 9.2884 9.2884 11.6471 11.6471 11.6471 11.6471 12.9482 12.9482 12.9482 12.9482 13.6424 13.6424 13.6424 13.6424 k = 0.3438 0.1985 0.3000 ( 6636 PWs) bands (ev): -44.7628 -44.7628 -44.7628 -44.7628 -21.5235 -21.5235 -21.5235 -21.5235 -20.9095 -20.9095 -20.9095 -20.9095 -20.8253 -20.8253 -20.8253 -20.8253 0.0125 0.0125 0.0125 0.0125 6.4451 6.4451 6.4451 6.4451 8.6888 8.6888 8.6888 8.6888 9.2739 9.2739 9.2739 9.2739 11.6350 11.6350 11.6350 11.6350 12.9838 12.9838 12.9838 12.9838 13.6399 13.6399 13.6399 13.6399 k = 0.3542 0.2045 0.3000 ( 6628 PWs) bands (ev): -44.7627 -44.7627 -44.7627 -44.7627 -21.5239 -21.5239 -21.5239 -21.5239 -20.9102 -20.9102 -20.9102 -20.9102 -20.8253 -20.8253 -20.8253 -20.8253 0.0473 0.0473 0.0473 0.0473 6.3823 6.3823 6.3823 6.3823 8.6801 8.6801 8.6801 8.6801 9.2601 9.2601 9.2601 9.2601 11.6252 11.6252 11.6252 11.6252 13.0200 13.0200 13.0200 13.0200 13.6376 13.6376 13.6376 13.6376 k = 0.3646 0.2105 0.3000 ( 6622 PWs) bands (ev): -44.7626 -44.7626 -44.7626 -44.7626 -21.5244 -21.5244 -21.5244 -21.5244 -20.9109 -20.9109 -20.9109 -20.9109 -20.8252 -20.8252 -20.8252 -20.8252 0.0808 0.0808 0.0808 0.0808 6.3219 6.3219 6.3219 6.3219 8.6719 8.6719 8.6719 8.6719 9.2470 9.2470 9.2470 9.2470 11.6174 11.6174 11.6174 11.6174 13.0565 13.0565 13.0565 13.0565 13.6355 13.6355 13.6355 13.6355 k = 0.3750 0.2165 0.3000 ( 6630 PWs) bands (ev): -44.7626 -44.7626 -44.7626 -44.7626 -21.5247 -21.5247 -21.5247 -21.5247 -20.9116 -20.9116 -20.9116 -20.9116 -20.8251 -20.8251 -20.8251 -20.8251 0.1130 0.1130 0.1130 0.1130 6.2641 6.2641 6.2641 6.2641 8.6643 8.6643 8.6643 8.6643 9.2347 9.2347 9.2347 9.2347 11.6115 11.6115 11.6115 11.6115 13.0931 13.0931 13.0931 13.0931 13.6336 13.6336 13.6336 13.6336 k = 0.3854 0.2225 0.3000 ( 6628 PWs) bands (ev): -44.7625 -44.7625 -44.7625 -44.7625 -21.5251 -21.5251 -21.5251 -21.5251 -20.9123 -20.9123 -20.9123 -20.9123 -20.8251 -20.8251 -20.8251 -20.8251 0.1437 0.1437 0.1437 0.1437 6.2095 6.2095 6.2095 6.2095 8.6571 8.6571 8.6571 8.6571 9.2232 9.2232 9.2232 9.2232 11.6073 11.6073 11.6073 11.6073 13.1296 13.1296 13.1296 13.1296 13.6322 13.6322 13.6322 13.6322 k = 0.3958 0.2285 0.3000 ( 6628 PWs) bands (ev): -44.7624 -44.7624 -44.7624 -44.7624 -21.5255 -21.5255 -21.5255 -21.5255 -20.9129 -20.9129 -20.9129 -20.9129 -20.8250 -20.8250 -20.8250 -20.8250 0.1726 0.1726 0.1726 0.1726 6.1584 6.1584 6.1584 6.1584 8.6505 8.6505 8.6505 8.6505 9.2125 9.2125 9.2125 9.2125 11.6045 11.6045 11.6045 11.6045 13.1656 13.1656 13.1656 13.1656 13.6312 13.6312 13.6312 13.6312 k = 0.4062 0.2345 0.3000 ( 6624 PWs) bands (ev): -44.7624 -44.7624 -44.7624 -44.7624 -21.5258 -21.5258 -21.5258 -21.5258 -20.9134 -20.9134 -20.9134 -20.9134 -20.8250 -20.8250 -20.8250 -20.8250 0.1994 0.1994 0.1994 0.1994 6.1110 6.1110 6.1110 6.1110 8.6444 8.6444 8.6444 8.6444 9.2027 9.2027 9.2027 9.2027 11.6030 11.6030 11.6030 11.6030 13.2008 13.2008 13.2008 13.2008 13.6305 13.6305 13.6305 13.6305 k = 0.4167 0.2406 0.3000 ( 6624 PWs) bands (ev): -44.7623 -44.7623 -44.7623 -44.7623 -21.5261 -21.5261 -21.5261 -21.5261 -20.9139 -20.9139 -20.9139 -20.9139 -20.8250 -20.8250 -20.8250 -20.8250 0.2241 0.2241 0.2241 0.2241 6.0677 6.0677 6.0677 6.0677 8.6388 8.6388 8.6388 8.6388 9.1939 9.1939 9.1939 9.1939 11.6024 11.6024 11.6024 11.6024 13.2348 13.2348 13.2348 13.2348 13.6302 13.6302 13.6302 13.6302 k = 0.4271 0.2466 0.3000 ( 6620 PWs) bands (ev): -44.7623 -44.7623 -44.7623 -44.7623 -21.5263 -21.5263 -21.5263 -21.5263 -20.9143 -20.9143 -20.9143 -20.9143 -20.8249 -20.8249 -20.8249 -20.8249 0.2464 0.2464 0.2464 0.2464 6.0287 6.0287 6.0287 6.0287 8.6338 8.6338 8.6338 8.6338 9.1860 9.1860 9.1860 9.1860 11.6026 11.6026 11.6026 11.6026 13.2669 13.2669 13.2669 13.2669 13.6301 13.6301 13.6301 13.6301 k = 0.4375 0.2526 0.3000 ( 6632 PWs) bands (ev): -44.7622 -44.7622 -44.7622 -44.7622 -21.5265 -21.5265 -21.5265 -21.5265 -20.9147 -20.9147 -20.9147 -20.9147 -20.8249 -20.8249 -20.8249 -20.8249 0.2662 0.2662 0.2662 0.2662 5.9944 5.9944 5.9944 5.9944 8.6294 8.6294 8.6294 8.6294 9.1791 9.1791 9.1791 9.1791 11.6033 11.6033 11.6033 11.6033 13.2968 13.2968 13.2968 13.2968 13.6303 13.6303 13.6303 13.6303 k = 0.4479 0.2586 0.3000 ( 6634 PWs) bands (ev): -44.7622 -44.7622 -44.7622 -44.7622 -21.5267 -21.5267 -21.5267 -21.5267 -20.9150 -20.9150 -20.9150 -20.9150 -20.8249 -20.8249 -20.8249 -20.8249 0.2832 0.2832 0.2832 0.2832 5.9649 5.9649 5.9649 5.9649 8.6257 8.6257 8.6257 8.6257 9.1732 9.1732 9.1732 9.1732 11.6044 11.6044 11.6044 11.6044 13.3238 13.3238 13.3238 13.3238 13.6306 13.6306 13.6306 13.6306 k = 0.4583 0.2646 0.3000 ( 6634 PWs) bands (ev): -44.7622 -44.7622 -44.7622 -44.7622 -21.5269 -21.5269 -21.5269 -21.5269 -20.9153 -20.9153 -20.9153 -20.9153 -20.8248 -20.8248 -20.8248 -20.8248 0.2973 0.2973 0.2973 0.2973 5.9406 5.9406 5.9406 5.9406 8.6225 8.6225 8.6225 8.6225 9.1683 9.1683 9.1683 9.1683 11.6055 11.6055 11.6055 11.6055 13.3471 13.3471 13.3471 13.3471 13.6311 13.6311 13.6311 13.6311 k = 0.4688 0.2706 0.3000 ( 6632 PWs) bands (ev): -44.7622 -44.7622 -44.7622 -44.7622 -21.5270 -21.5270 -21.5270 -21.5270 -20.9155 -20.9155 -20.9155 -20.9155 -20.8248 -20.8248 -20.8248 -20.8248 0.3085 0.3085 0.3085 0.3085 5.9214 5.9214 5.9214 5.9214 8.6201 8.6201 8.6201 8.6201 9.1645 9.1645 9.1645 9.1645 11.6066 11.6066 11.6066 11.6066 13.3662 13.3662 13.3662 13.3662 13.6315 13.6315 13.6315 13.6315 k = 0.4792 0.2766 0.3000 ( 6626 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5271 -21.5271 -21.5271 -21.5271 -20.9157 -20.9157 -20.9157 -20.9157 -20.8248 -20.8248 -20.8248 -20.8248 0.3165 0.3165 0.3165 0.3165 5.9076 5.9076 5.9076 5.9076 8.6183 8.6183 8.6183 8.6183 9.1618 9.1618 9.1618 9.1618 11.6075 11.6075 11.6075 11.6075 13.3804 13.3804 13.3804 13.3804 13.6318 13.6318 13.6318 13.6318 k = 0.4896 0.2827 0.3000 ( 6630 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5271 -21.5271 -21.5271 -21.5271 -20.9158 -20.9158 -20.9158 -20.9158 -20.8248 -20.8248 -20.8248 -20.8248 0.3213 0.3213 0.3213 0.3213 5.8993 5.8993 5.8993 5.8993 8.6172 8.6172 8.6172 8.6172 9.1601 9.1601 9.1601 9.1601 11.6080 11.6080 11.6080 11.6080 13.3892 13.3892 13.3892 13.3892 13.6321 13.6321 13.6321 13.6321 k = 0.5000 0.2887 0.3000 ( 6636 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5272 -21.5272 -21.5272 -21.5272 -20.9158 -20.9158 -20.9158 -20.9158 -20.8248 -20.8248 -20.8248 -20.8248 0.3229 0.3229 0.3229 0.3229 5.8965 5.8965 5.8965 5.8965 8.6169 8.6169 8.6169 8.6169 9.1596 9.1596 9.1596 9.1596 11.6082 11.6082 11.6082 11.6082 13.3922 13.3922 13.3922 13.3922 13.6322 13.6322 13.6322 13.6322 k = 0.5000 0.2887 0.3000 ( 6636 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5272 -21.5272 -21.5272 -21.5272 -20.9158 -20.9158 -20.9158 -20.9158 -20.8248 -20.8248 -20.8248 -20.8248 0.3229 0.3229 0.3229 0.3229 5.8965 5.8965 5.8965 5.8965 8.6169 8.6169 8.6169 8.6169 9.1596 9.1596 9.1596 9.1596 11.6082 11.6082 11.6082 11.6082 13.3922 13.3922 13.3922 13.3922 13.6322 13.6322 13.6322 13.6322 k = 0.4940 0.2990 0.3000 ( 6632 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5272 -21.5272 -21.5272 -21.5272 -20.9158 -20.9158 -20.9158 -20.9158 -20.8248 -20.8248 -20.8248 -20.8248 0.3232 0.3232 0.3235 0.3235 5.8969 5.8969 5.8987 5.8987 8.6084 8.6084 8.6222 8.6222 9.1505 9.1505 9.1607 9.1607 11.6103 11.6103 11.6111 11.6111 13.3915 13.3915 13.3924 13.3924 13.6288 13.6288 13.6314 13.6314 k = 0.4881 0.3093 0.3000 ( 6644 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5272 -21.5272 -21.5272 -21.5272 -20.9158 -20.9158 -20.9158 -20.9158 -20.8248 -20.8248 -20.8248 -20.8248 0.3242 0.3242 0.3249 0.3249 5.8998 5.8998 5.9033 5.9033 8.5966 8.5966 8.6246 8.6246 9.1336 9.1336 9.1544 9.1544 11.6174 11.6174 11.6190 11.6190 13.3904 13.3904 13.3922 13.3922 13.6216 13.6216 13.6267 13.6267 k = 0.4821 0.3196 0.3000 ( 6642 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5272 -21.5272 -21.5272 -21.5272 -20.9159 -20.9159 -20.9158 -20.9158 -20.8248 -20.8248 -20.8248 -20.8248 0.3260 0.3260 0.3271 0.3271 5.9051 5.9051 5.9105 5.9105 8.5810 8.5810 8.6239 8.6239 9.1091 9.1091 9.1412 9.1412 11.6293 11.6293 11.6316 11.6316 13.3890 13.3890 13.3918 13.3918 13.6105 13.6105 13.6179 13.6179 k = 0.4762 0.3299 0.3000 ( 6638 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5273 -21.5273 -21.5272 -21.5272 -20.9160 -20.9160 -20.9159 -20.9159 -20.8248 -20.8248 -20.8248 -20.8248 0.3286 0.3286 0.3301 0.3301 5.9129 5.9129 5.9202 5.9202 8.5610 8.5610 8.6198 8.6198 9.0781 9.0781 9.1224 9.1224 11.6455 11.6455 11.6485 11.6485 13.3875 13.3875 13.3912 13.3912 13.5959 13.5959 13.6052 13.6052 k = 0.4702 0.3402 0.3000 ( 6634 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5273 -21.5273 -21.5272 -21.5272 -20.9160 -20.9160 -20.9159 -20.9159 -20.8249 -20.8249 -20.8248 -20.8248 0.3319 0.3319 0.3338 0.3338 5.9230 5.9230 5.9323 5.9323 8.5361 8.5361 8.6117 8.6117 9.0417 9.0417 9.0992 9.0992 11.6657 11.6657 11.6693 11.6693 13.3861 13.3861 13.3908 13.3908 13.5779 13.5779 13.5888 13.5888 k = 0.4643 0.3505 0.3000 ( 6638 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5274 -21.5274 -21.5272 -21.5272 -20.9161 -20.9161 -20.9160 -20.9160 -20.8249 -20.8249 -20.8249 -20.8249 0.3360 0.3360 0.3383 0.3383 5.9356 5.9356 5.9470 5.9470 8.5055 8.5055 8.5988 8.5988 9.0017 9.0017 9.0733 9.0733 11.6893 11.6893 11.6934 11.6934 13.3851 13.3851 13.3907 13.3907 13.5570 13.5570 13.5689 13.5689 k = 0.4583 0.3608 0.3000 ( 6632 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5274 -21.5274 -21.5273 -21.5273 -20.9162 -20.9162 -20.9161 -20.9161 -20.8249 -20.8249 -20.8249 -20.8249 0.3408 0.3408 0.3434 0.3434 5.9505 5.9505 5.9642 5.9642 8.4684 8.4684 8.5795 8.5795 8.9605 8.9605 9.0461 9.0461 11.7159 11.7159 11.7203 11.7203 13.3847 13.3847 13.3914 13.3914 13.5337 13.5337 13.5460 13.5460 k = 0.4524 0.3712 0.3000 ( 6628 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5275 -21.5275 -21.5273 -21.5273 -20.9163 -20.9163 -20.9162 -20.9162 -20.8250 -20.8250 -20.8249 -20.8249 0.3463 0.3463 0.3492 0.3492 5.9676 5.9676 5.9839 5.9839 8.4245 8.4245 8.5525 8.5525 8.9205 8.9205 9.0190 9.0190 11.7448 11.7448 11.7494 11.7494 13.3848 13.3848 13.3931 13.3931 13.5085 13.5085 13.5203 13.5203 k = 0.4464 0.3815 0.3000 ( 6632 PWs) bands (ev): -44.7621 -44.7621 -44.7620 -44.7620 -21.5276 -21.5276 -21.5274 -21.5274 -20.9165 -20.9165 -20.9163 -20.9163 -20.8250 -20.8250 -20.8250 -20.8250 0.3523 0.3523 0.3556 0.3556 5.9870 5.9870 6.0059 6.0059 8.3736 8.3736 8.5160 8.5160 8.8841 8.8841 8.9933 8.9933 11.7756 11.7756 11.7803 11.7803 13.3852 13.3852 13.3960 13.3960 13.4824 13.4824 13.4924 13.4924 k = 0.4405 0.3918 0.3000 ( 6646 PWs) bands (ev): -44.7620 -44.7620 -44.7620 -44.7620 -21.5277 -21.5277 -21.5275 -21.5275 -20.9166 -20.9166 -20.9164 -20.9164 -20.8251 -20.8251 -20.8250 -20.8250 0.3589 0.3589 0.3626 0.3626 6.0085 6.0085 6.0305 6.0305 8.3157 8.3157 8.4695 8.4695 8.8532 8.8532 8.9695 8.9695 11.8078 11.8078 11.8124 11.8124 13.3845 13.3845 13.4000 13.4000 13.4575 13.4575 13.4629 13.4629 k = 0.4345 0.4021 0.3000 ( 6638 PWs) bands (ev): -44.7620 -44.7620 -44.7620 -44.7620 -21.5278 -21.5278 -21.5275 -21.5275 -20.9167 -20.9167 -20.9165 -20.9165 -20.8251 -20.8251 -20.8251 -20.8251 0.3660 0.3660 0.3700 0.3700 6.0321 6.0321 6.0573 6.0573 8.2513 8.2513 8.4133 8.4133 8.8281 8.8281 8.9482 8.9482 11.8409 11.8409 11.8454 11.8454 13.3782 13.3782 13.4040 13.4040 13.4336 13.4336 13.4388 13.4388 k = 0.4286 0.4124 0.3000 ( 6642 PWs) bands (ev): -44.7620 -44.7620 -44.7620 -44.7620 -21.5279 -21.5279 -21.5276 -21.5276 -20.9169 -20.9169 -20.9166 -20.9166 -20.8252 -20.8252 -20.8251 -20.8251 0.3736 0.3736 0.3779 0.3779 6.0575 6.0575 6.0866 6.0866 8.1812 8.1812 8.3489 8.3489 8.8083 8.8083 8.9294 8.9294 11.8746 11.8746 11.8789 11.8789 13.3605 13.3605 13.3923 13.3923 13.4208 13.4208 13.4324 13.4324 k = 0.4226 0.4227 0.3000 ( 6634 PWs) bands (ev): -44.7620 -44.7620 -44.7620 -44.7620 -21.5280 -21.5280 -21.5277 -21.5277 -20.9171 -20.9171 -20.9168 -20.9168 -20.8252 -20.8252 -20.8251 -20.8251 0.3815 0.3815 0.3861 0.3861 6.0848 6.0848 6.1181 6.1181 8.1063 8.1063 8.2782 8.2782 8.7928 8.7928 8.9130 8.9130 11.9085 11.9085 11.9125 11.9125 13.3339 13.3339 13.3614 13.3614 13.4285 13.4285 13.4366 13.4366 k = 0.4167 0.4330 0.3000 ( 6630 PWs) bands (ev): -44.7620 -44.7620 -44.7620 -44.7620 -21.5281 -21.5281 -21.5278 -21.5278 -20.9172 -20.9172 -20.9169 -20.9169 -20.8253 -20.8253 -20.8252 -20.8252 0.3897 0.3897 0.3946 0.3946 6.1137 6.1137 6.1518 6.1518 8.0276 8.0276 8.2030 8.2030 8.7805 8.7805 8.8987 8.8987 11.9424 11.9424 11.9459 11.9459 13.3035 13.3035 13.3280 13.3280 13.4403 13.4403 13.4465 13.4465 k = 0.4107 0.4433 0.3000 ( 6622 PWs) bands (ev): -44.7619 -44.7619 -44.7619 -44.7619 -21.5282 -21.5282 -21.5278 -21.5278 -20.9174 -20.9174 -20.9171 -20.9171 -20.8253 -20.8253 -20.8252 -20.8252 0.3980 0.3980 0.4032 0.4032 6.1441 6.1441 6.1877 6.1877 7.9460 7.9460 8.1252 8.1252 8.7706 8.7706 8.8863 8.8863 11.9759 11.9759 11.9788 11.9788 13.2717 13.2717 13.2941 13.2941 13.4547 13.4547 13.4602 13.4602 k = 0.4048 0.4536 0.3000 ( 6618 PWs) bands (ev): -44.7619 -44.7619 -44.7619 -44.7619 -21.5283 -21.5283 -21.5279 -21.5279 -20.9176 -20.9176 -20.9172 -20.9172 -20.8254 -20.8254 -20.8253 -20.8253 0.4065 0.4065 0.4120 0.4120 6.1758 6.1758 6.2257 6.2257 7.8624 7.8624 8.0460 8.0460 8.7624 8.7624 8.8756 8.8756 12.0087 12.0087 12.0110 12.0110 13.2395 13.2395 13.2603 13.2603 13.4714 13.4714 13.4767 13.4767 k = 0.3988 0.4639 0.3000 ( 6626 PWs) bands (ev): -44.7619 -44.7619 -44.7619 -44.7619 -21.5284 -21.5284 -21.5280 -21.5280 -20.9177 -20.9177 -20.9174 -20.9174 -20.8254 -20.8254 -20.8253 -20.8253 0.4150 0.4150 0.4207 0.4207 6.2084 6.2084 6.2657 6.2657 7.7777 7.7777 7.9667 7.9667 8.7556 8.7556 8.8663 8.8663 12.0406 12.0406 12.0423 12.0423 13.2076 13.2076 13.2271 13.2271 13.4903 13.4903 13.4959 13.4959 k = 0.3929 0.4743 0.3000 ( 6634 PWs) bands (ev): -44.7619 -44.7619 -44.7619 -44.7619 -21.5284 -21.5284 -21.5281 -21.5281 -20.9179 -20.9179 -20.9175 -20.9175 -20.8254 -20.8254 -20.8253 -20.8253 0.4234 0.4234 0.4293 0.4293 6.2417 6.2417 6.3076 6.3076 7.6927 7.6927 7.8885 7.8885 8.7498 8.7498 8.8583 8.8583 12.0714 12.0714 12.0724 12.0724 13.1764 13.1764 13.1948 13.1948 13.5112 13.5112 13.5173 13.5173 k = 0.3869 0.4846 0.3000 ( 6630 PWs) bands (ev): -44.7619 -44.7619 -44.7619 -44.7619 -21.5285 -21.5285 -21.5282 -21.5282 -20.9180 -20.9180 -20.9177 -20.9177 -20.8255 -20.8255 -20.8254 -20.8254 0.4315 0.4315 0.4377 0.4377 6.2753 6.2753 6.3511 6.3511 7.6082 7.6082 7.8124 7.8124 8.7448 8.7448 8.8513 8.8513 12.1007 12.1007 12.1010 12.1010 13.1464 13.1464 13.1637 13.1637 13.5342 13.5342 13.5409 13.5409 k = 0.3810 0.4949 0.3000 ( 6630 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5286 -21.5286 -21.5283 -21.5283 -20.9182 -20.9182 -20.9178 -20.9178 -20.8255 -20.8255 -20.8254 -20.8254 0.4393 0.4393 0.4457 0.4457 6.3086 6.3086 6.3961 6.3961 7.5249 7.5249 7.7395 7.7395 8.7406 8.7406 8.8454 8.8454 12.1279 12.1279 12.1283 12.1283 13.1179 13.1179 13.1343 13.1343 13.5590 13.5590 13.5665 13.5665 k = 0.3750 0.5052 0.3000 ( 6630 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5287 -21.5287 -21.5283 -21.5283 -20.9183 -20.9183 -20.9180 -20.9180 -20.8255 -20.8255 -20.8254 -20.8254 0.4467 0.4467 0.4532 0.4532 6.3411 6.3411 6.4424 6.4424 7.4436 7.4436 7.6708 7.6708 8.7369 8.7369 8.8403 8.8403 12.1528 12.1528 12.1539 12.1539 13.0915 13.0915 13.1069 13.1069 13.5855 13.5855 13.5939 13.5939 k = 0.3690 0.5155 0.3000 ( 6622 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5288 -21.5288 -21.5284 -21.5284 -20.9185 -20.9185 -20.9181 -20.9181 -20.8256 -20.8256 -20.8255 -20.8255 0.4535 0.4535 0.4602 0.4602 6.3721 6.3721 6.4893 6.4893 7.3652 7.3652 7.6076 7.6076 8.7338 8.7338 8.8361 8.8361 12.1753 12.1753 12.1770 12.1770 13.0674 13.0674 13.0821 13.0821 13.6136 13.6136 13.6229 13.6229 k = 0.3631 0.5258 0.3000 ( 6618 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5289 -21.5289 -21.5285 -21.5285 -20.9186 -20.9186 -20.9182 -20.9182 -20.8256 -20.8256 -20.8255 -20.8255 0.4597 0.4597 0.4665 0.4665 6.4006 6.4006 6.5364 6.5364 7.2907 7.2907 7.5509 7.5509 8.7311 8.7311 8.8326 8.8326 12.1951 12.1951 12.1974 12.1974 13.0461 13.0461 13.0601 13.0601 13.6430 13.6430 13.6532 13.6532 k = 0.3571 0.5361 0.3000 ( 6612 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5289 -21.5289 -21.5285 -21.5285 -20.9187 -20.9187 -20.9183 -20.9183 -20.8256 -20.8256 -20.8255 -20.8255 0.4650 0.4650 0.4719 0.4719 6.4258 6.4258 6.5826 6.5826 7.2216 7.2216 7.5023 7.5023 8.7290 8.7290 8.8298 8.8298 12.2118 12.2118 12.2146 12.2146 13.0281 13.0281 13.0415 13.0415 13.6735 13.6735 13.6847 13.6847 k = 0.3512 0.5464 0.3000 ( 6608 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5290 -21.5290 -21.5286 -21.5286 -20.9188 -20.9188 -20.9184 -20.9184 -20.8256 -20.8256 -20.8255 -20.8255 0.4693 0.4693 0.4763 0.4763 6.4465 6.4465 6.6259 6.6259 7.1599 7.1599 7.4628 7.4628 8.7273 8.7273 8.8276 8.8276 12.2252 12.2252 12.2284 12.2284 13.0137 13.0137 13.0267 13.0267 13.7049 13.7049 13.7169 13.7169 k = 0.3452 0.5567 0.3000 ( 6612 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5290 -21.5290 -21.5286 -21.5286 -20.9188 -20.9188 -20.9184 -20.9184 -20.8256 -20.8256 -20.8255 -20.8255 0.4725 0.4725 0.4796 0.4796 6.4619 6.4619 6.6633 6.6633 7.1092 7.1092 7.4339 7.4339 8.7261 8.7261 8.8261 8.8261 12.2348 12.2348 12.2384 12.2384 13.0033 13.0033 13.0159 13.0159 13.7369 13.7369 13.7494 13.7494 k = 0.3393 0.5670 0.3000 ( 6604 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5290 -21.5290 -21.5286 -21.5286 -20.9189 -20.9189 -20.9185 -20.9185 -20.8256 -20.8256 -20.8255 -20.8255 0.4746 0.4746 0.4817 0.4817 6.4712 6.4712 6.6898 6.6898 7.0745 7.0745 7.4162 7.4162 8.7254 8.7254 8.8252 8.8252 12.2407 12.2407 12.2444 12.2444 12.9970 12.9970 13.0095 13.0095 13.7684 13.7684 13.7806 13.7806 k = 0.3333 0.5774 0.3000 ( 6600 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5290 -21.5290 -21.5286 -21.5286 -20.9189 -20.9189 -20.9185 -20.9185 -20.8256 -20.8256 -20.8255 -20.8255 0.4753 0.4753 0.4824 0.4824 6.4743 6.4743 6.6994 6.6994 7.0621 7.0621 7.4104 7.4104 8.7252 8.7252 8.8249 8.8249 12.2426 12.2426 12.2464 12.2464 12.9949 12.9949 13.0073 13.0073 13.7902 13.7902 13.7997 13.7997 k = 0.3333 0.5774 0.3000 ( 6600 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5290 -21.5290 -21.5286 -21.5286 -20.9189 -20.9189 -20.9185 -20.9185 -20.8256 -20.8256 -20.8255 -20.8255 0.4753 0.4753 0.4824 0.4824 6.4743 6.4743 6.6994 6.6994 7.0621 7.0621 7.4104 7.4104 8.7252 8.7252 8.8249 8.8249 12.2426 12.2426 12.2464 12.2464 12.9949 12.9949 13.0073 13.0073 13.7902 13.7902 13.7997 13.7997 k = 0.3273 0.5669 0.3000 ( 6612 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5290 -21.5290 -21.5286 -21.5286 -20.9189 -20.9189 -20.9185 -20.9185 -20.8256 -20.8256 -20.8255 -20.8255 0.4745 0.4745 0.4816 0.4816 6.4713 6.4713 6.6899 6.6899 7.0746 7.0746 7.4163 7.4163 8.7254 8.7254 8.8252 8.8252 12.2407 12.2407 12.2444 12.2444 12.9970 12.9970 13.0095 13.0095 13.7674 13.7674 13.7797 13.7797 k = 0.3212 0.5564 0.3000 ( 6612 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5290 -21.5290 -21.5286 -21.5286 -20.9188 -20.9188 -20.9184 -20.9184 -20.8256 -20.8256 -20.8255 -20.8255 0.4721 0.4721 0.4792 0.4792 6.4632 6.4632 6.6655 6.6655 7.1078 7.1078 7.4334 7.4334 8.7262 8.7262 8.8261 8.8261 12.2350 12.2350 12.2386 12.2386 13.0029 13.0029 13.0156 13.0156 13.7337 13.7337 13.7462 13.7462 k = 0.3152 0.5459 0.3000 ( 6608 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5289 -21.5289 -21.5286 -21.5286 -20.9187 -20.9187 -20.9183 -20.9183 -20.8256 -20.8256 -20.8255 -20.8255 0.4680 0.4680 0.4750 0.4750 6.4511 6.4511 6.6333 6.6333 7.1550 7.1550 7.4604 7.4604 8.7275 8.7275 8.8276 8.8276 12.2261 12.2261 12.2294 12.2294 13.0122 13.0122 13.0250 13.0250 13.6987 13.6987 13.7104 13.7104 k = 0.3091 0.5354 0.3000 ( 6604 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5289 -21.5289 -21.5285 -21.5285 -20.9186 -20.9186 -20.9182 -20.9182 -20.8256 -20.8256 -20.8255 -20.8255 0.4620 0.4620 0.4689 0.4689 6.4367 6.4367 6.5987 6.5987 7.2107 7.2107 7.4960 7.4960 8.7293 8.7293 8.8295 8.8295 12.2144 12.2144 12.2174 12.2174 13.0240 13.0240 13.0372 13.0372 13.6634 13.6634 13.6741 13.6741 k = 0.3030 0.5249 0.3000 ( 6616 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5288 -21.5288 -21.5284 -21.5284 -20.9185 -20.9185 -20.9181 -20.9181 -20.8256 -20.8256 -20.8255 -20.8255 0.4542 0.4542 0.4609 0.4609 6.4214 6.4214 6.5647 6.5647 7.2719 7.2719 7.5387 7.5387 8.7317 8.7317 8.8321 8.8321 12.2004 12.2004 12.2030 12.2030 13.0375 13.0375 13.0510 13.0510 13.6286 13.6286 13.6379 13.6379 k = 0.2970 0.5144 0.3000 ( 6614 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5287 -21.5287 -21.5283 -21.5283 -20.9183 -20.9183 -20.9179 -20.9179 -20.8256 -20.8256 -20.8255 -20.8255 0.4443 0.4443 0.4510 0.4510 6.4064 6.4064 6.5334 6.5334 7.3368 7.3368 7.5873 7.5873 8.7347 8.7347 8.8351 8.8351 12.1847 12.1847 12.1867 12.1867 13.0517 13.0517 13.0654 13.0654 13.5950 13.5950 13.6028 13.6028 k = 0.2909 0.5039 0.3000 ( 6618 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5286 -21.5286 -21.5282 -21.5282 -20.9181 -20.9181 -20.9177 -20.9177 -20.8256 -20.8256 -20.8255 -20.8255 0.4324 0.4324 0.4389 0.4389 6.3929 6.3929 6.5056 6.5056 7.4044 7.4044 7.6405 7.6405 8.7382 8.7382 8.8386 8.8386 12.1676 12.1676 12.1692 12.1692 13.0652 13.0652 13.0789 13.0789 13.5637 13.5637 13.5697 13.5697 k = 0.2848 0.4934 0.3000 ( 6618 PWs) bands (ev): -44.7619 -44.7619 -44.7619 -44.7619 -21.5284 -21.5284 -21.5280 -21.5280 -20.9178 -20.9178 -20.9174 -20.9174 -20.8256 -20.8256 -20.8255 -20.8255 0.4184 0.4184 0.4248 0.4248 6.3816 6.3816 6.4820 6.4820 7.4738 7.4738 7.6975 7.6975 8.7424 8.7424 8.8426 8.8426 12.1497 12.1497 12.1508 12.1508 13.0764 13.0764 13.0900 13.0900 13.5360 13.5360 13.5399 13.5399 k = 0.2788 0.4829 0.3000 ( 6626 PWs) bands (ev): -44.7619 -44.7619 -44.7619 -44.7619 -21.5282 -21.5282 -21.5279 -21.5279 -20.9175 -20.9175 -20.9172 -20.9172 -20.8256 -20.8256 -20.8255 -20.8255 0.4024 0.4024 0.4085 0.4085 6.3732 6.3732 6.4630 6.4630 7.5447 7.5447 7.7574 7.7574 8.7473 8.7473 8.8471 8.8471 12.1315 12.1315 12.1319 12.1319 13.0835 13.0835 13.0966 13.0966 13.5138 13.5138 13.5150 13.5150 k = 0.2727 0.4724 0.3000 ( 6626 PWs) bands (ev): -44.7619 -44.7619 -44.7619 -44.7619 -21.5280 -21.5280 -21.5277 -21.5277 -20.9172 -20.9172 -20.9168 -20.9168 -20.8255 -20.8255 -20.8255 -20.8255 0.3843 0.3843 0.3902 0.3902 6.3683 6.3683 6.4489 6.4489 7.6167 7.6167 7.8196 7.8196 8.7528 8.7528 8.8520 8.8520 12.1131 12.1131 12.1132 12.1132 13.0847 13.0847 13.0969 13.0969 13.4968 13.4968 13.4987 13.4987 k = 0.2667 0.4619 0.3000 ( 6622 PWs) bands (ev): -44.7620 -44.7620 -44.7620 -44.7620 -21.5278 -21.5278 -21.5275 -21.5275 -20.9168 -20.9168 -20.9164 -20.9164 -20.8255 -20.8255 -20.8254 -20.8254 0.3641 0.3641 0.3698 0.3698 6.3672 6.3672 6.4398 6.4398 7.6894 7.6894 7.8834 7.8834 8.7590 8.7590 8.8574 8.8574 12.0944 12.0944 12.0951 12.0951 13.0783 13.0783 13.0893 13.0893 13.4867 13.4867 13.4921 13.4921 k = 0.2606 0.4514 0.3000 ( 6630 PWs) bands (ev): -44.7620 -44.7620 -44.7620 -44.7620 -21.5276 -21.5276 -21.5272 -21.5272 -20.9164 -20.9164 -20.9160 -20.9160 -20.8255 -20.8255 -20.8254 -20.8254 0.3419 0.3419 0.3473 0.3473 6.3701 6.3701 6.4357 6.4357 7.7626 7.7626 7.9483 7.9483 8.7661 8.7661 8.8632 8.8632 12.0764 12.0764 12.0777 12.0777 13.0637 13.0637 13.0735 13.0735 13.4851 13.4851 13.4943 13.4943 k = 0.2545 0.4409 0.3000 ( 6618 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5273 -21.5273 -21.5270 -21.5270 -20.9159 -20.9159 -20.9156 -20.9156 -20.8255 -20.8255 -20.8254 -20.8254 0.3177 0.3177 0.3229 0.3229 6.3772 6.3772 6.4367 6.4367 7.8361 7.8361 8.0139 8.0139 8.7741 8.7741 8.8694 8.8694 12.0591 12.0591 12.0611 12.0611 13.0415 13.0415 13.0502 13.0502 13.4915 13.4915 13.5044 13.5044 k = 0.2485 0.4304 0.3000 ( 6622 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5270 -21.5270 -21.5267 -21.5267 -20.9154 -20.9154 -20.9151 -20.9151 -20.8255 -20.8255 -20.8254 -20.8254 0.2917 0.2917 0.2966 0.2966 6.3887 6.3887 6.4426 6.4426 7.9096 7.9096 8.0795 8.0795 8.7832 8.7832 8.8761 8.8761 12.0429 12.0429 12.0456 12.0456 13.0131 13.0131 13.0209 13.0209 13.5045 13.5045 13.5209 13.5209 k = 0.2424 0.4199 0.3000 ( 6618 PWs) bands (ev): -44.7622 -44.7622 -44.7622 -44.7622 -21.5267 -21.5267 -21.5264 -21.5264 -20.9148 -20.9148 -20.9145 -20.9145 -20.8255 -20.8255 -20.8255 -20.8255 0.2638 0.2638 0.2686 0.2686 6.4045 6.4045 6.4534 6.4534 7.9828 7.9828 8.1447 8.1447 8.7935 8.7935 8.8833 8.8833 12.0280 12.0280 12.0313 12.0313 12.9800 12.9800 12.9873 12.9873 13.5223 13.5223 13.5421 13.5421 k = 0.2364 0.4094 0.3000 ( 6618 PWs) bands (ev): -44.7623 -44.7623 -44.7623 -44.7623 -21.5263 -21.5263 -21.5260 -21.5260 -20.9143 -20.9143 -20.9140 -20.9140 -20.8255 -20.8255 -20.8255 -20.8255 0.2343 0.2343 0.2388 0.2388 6.4245 6.4245 6.4689 6.4689 8.0555 8.0555 8.2090 8.2090 8.8052 8.8052 8.8909 8.8909 12.0144 12.0144 12.0185 12.0185 12.9437 12.9437 12.9508 12.9508 13.5435 13.5435 13.5667 13.5667 k = 0.2303 0.3989 0.3000 ( 6616 PWs) bands (ev): -44.7623 -44.7623 -44.7623 -44.7623 -21.5260 -21.5260 -21.5257 -21.5257 -20.9136 -20.9136 -20.9133 -20.9133 -20.8255 -20.8255 -20.8255 -20.8255 0.2033 0.2033 0.2075 0.2075 6.4487 6.4487 6.4891 6.4891 8.1275 8.1275 8.2717 8.2717 8.8187 8.8187 8.8992 8.8992 12.0025 12.0025 12.0073 12.0073 12.9056 12.9056 12.9125 12.9125 13.5667 13.5667 13.5934 13.5934 k = 0.2242 0.3884 0.3000 ( 6620 PWs) bands (ev): -44.7624 -44.7624 -44.7624 -44.7624 -21.5256 -21.5256 -21.5253 -21.5253 -20.9130 -20.9130 -20.9127 -20.9127 -20.8255 -20.8255 -20.8255 -20.8255 0.1708 0.1708 0.1747 0.1747 6.4770 6.4770 6.5136 6.5136 8.1984 8.1984 8.3323 8.3323 8.8344 8.8344 8.9081 8.9081 11.9923 11.9923 11.9978 11.9978 12.8664 12.8664 12.8734 12.8734 13.5911 13.5911 13.6213 13.6213 k = 0.2182 0.3779 0.3000 ( 6624 PWs) bands (ev): -44.7625 -44.7625 -44.7625 -44.7625 -21.5252 -21.5252 -21.5249 -21.5249 -20.9123 -20.9123 -20.9120 -20.9120 -20.8256 -20.8256 -20.8255 -20.8255 0.1370 0.1370 0.1407 0.1407 6.5091 6.5091 6.5422 6.5422 8.2680 8.2680 8.3900 8.3900 8.8526 8.8526 8.9179 8.9179 11.9839 11.9839 11.9902 11.9902 12.8271 12.8271 12.8342 12.8342 13.6157 13.6157 13.6496 13.6496 k = 0.2121 0.3674 0.3000 ( 6628 PWs) bands (ev): -44.7626 -44.7626 -44.7626 -44.7626 -21.5247 -21.5247 -21.5245 -21.5245 -20.9115 -20.9115 -20.9113 -20.9113 -20.8256 -20.8256 -20.8255 -20.8255 0.1021 0.1021 0.1055 0.1055 6.5450 6.5450 6.5748 6.5748 8.3358 8.3358 8.4440 8.4440 8.8740 8.8740 8.9287 8.9287 11.9775 11.9775 11.9846 11.9846 12.7882 12.7882 12.7953 12.7953 13.6399 13.6399 13.6777 13.6777 k = 0.2061 0.3569 0.3000 ( 6624 PWs) bands (ev): -44.7627 -44.7627 -44.7627 -44.7627 -21.5243 -21.5243 -21.5241 -21.5241 -20.9108 -20.9108 -20.9105 -20.9105 -20.8256 -20.8256 -20.8256 -20.8256 0.0662 0.0662 0.0694 0.0694 6.5842 6.5842 6.6110 6.6110 8.4015 8.4015 8.4939 8.4939 8.8989 8.8989 8.9408 8.9408 11.9731 11.9731 11.9810 11.9810 12.7501 12.7501 12.7574 12.7574 13.6631 13.6631 13.7050 13.7050 k = 0.2000 0.3464 0.3000 ( 6624 PWs) bands (ev): -44.7627 -44.7627 -44.7627 -44.7627 -21.5238 -21.5238 -21.5236 -21.5236 -20.9100 -20.9100 -20.9097 -20.9097 -20.8256 -20.8256 -20.8256 -20.8256 0.0295 0.0295 0.0324 0.0324 6.6266 6.6266 6.6505 6.6505 8.4646 8.4646 8.5389 8.5389 8.9278 8.9278 8.9545 8.9545 11.9709 11.9709 11.9795 11.9795 12.7134 12.7134 12.7207 12.7207 13.6847 13.6847 13.7309 13.7309 k = 0.1939 0.3359 0.3000 ( 6636 PWs) bands (ev): -44.7628 -44.7628 -44.7628 -44.7628 -21.5233 -21.5233 -21.5232 -21.5232 -20.9091 -20.9091 -20.9089 -20.9089 -20.8256 -20.8256 -20.8256 -20.8256 -0.0079 -0.0079 -0.0052 -0.0052 6.6718 6.6718 6.6930 6.6930 8.5246 8.5246 8.5789 8.5789 8.9607 8.9607 8.9703 8.9703 11.9707 11.9707 11.9800 11.9800 12.6783 12.6783 12.6856 12.6856 13.7041 13.7041 13.7548 13.7548 k = 0.1879 0.3254 0.3000 ( 6638 PWs) bands (ev): -44.7629 -44.7629 -44.7629 -44.7629 -21.5229 -21.5229 -21.5227 -21.5227 -20.9083 -20.9083 -20.9080 -20.9080 -20.8257 -20.8257 -20.8257 -20.8257 -0.0458 -0.0458 -0.0433 -0.0433 6.7196 6.7196 6.7382 6.7382 8.5808 8.5808 8.6140 8.6140 8.9886 8.9886 8.9974 8.9974 11.9727 11.9727 11.9827 11.9827 12.6451 12.6451 12.6524 12.6524 13.7209 13.7209 13.7759 13.7759 k = 0.1818 0.3149 0.3000 ( 6642 PWs) bands (ev): -44.7630 -44.7630 -44.7630 -44.7630 -21.5223 -21.5223 -21.5222 -21.5222 -20.9074 -20.9074 -20.9072 -20.9072 -20.8257 -20.8257 -20.8257 -20.8257 -0.0841 -0.0841 -0.0818 -0.0818 6.7696 6.7696 6.7858 6.7858 8.6328 8.6328 8.6448 8.6448 9.0100 9.0100 9.0372 9.0372 11.9769 11.9769 11.9875 11.9875 12.6141 12.6141 12.6213 12.6213 13.7343 13.7343 13.7934 13.7934 k = 0.1758 0.3044 0.3000 ( 6646 PWs) bands (ev): -44.7631 -44.7631 -44.7631 -44.7631 -21.5218 -21.5218 -21.5217 -21.5217 -20.9065 -20.9065 -20.9063 -20.9063 -20.8257 -20.8257 -20.8257 -20.8257 -0.1225 -0.1225 -0.1205 -0.1205 6.8214 6.8214 6.8352 6.8352 8.6721 8.6721 8.6801 8.6801 9.0348 9.0348 9.0793 9.0793 11.9832 11.9832 11.9943 11.9943 12.5855 12.5855 12.5925 12.5925 13.7436 13.7436 13.8063 13.8063 k = 0.1697 0.2939 0.3000 ( 6638 PWs) bands (ev): -44.7632 -44.7632 -44.7632 -44.7632 -21.5213 -21.5213 -21.5212 -21.5212 -20.9056 -20.9056 -20.9054 -20.9054 -20.8258 -20.8258 -20.8258 -20.8258 -0.1610 -0.1610 -0.1592 -0.1592 6.8746 6.8746 6.8862 6.8862 8.6969 8.6969 8.7224 8.7224 9.0634 9.0634 9.1227 9.1227 11.9915 11.9915 12.0031 12.0031 12.5594 12.5594 12.5663 12.5663 13.7484 13.7484 13.8137 13.8137 k = 0.1636 0.2834 0.3000 ( 6648 PWs) bands (ev): -44.7633 -44.7633 -44.7633 -44.7633 -21.5208 -21.5208 -21.5206 -21.5206 -20.9046 -20.9046 -20.9045 -20.9045 -20.8258 -20.8258 -20.8258 -20.8258 -0.1995 -0.1995 -0.1978 -0.1978 6.9288 6.9288 6.9383 6.9383 8.7199 8.7199 8.7599 8.7599 9.0956 9.0956 9.1667 9.1667 12.0018 12.0018 12.0138 12.0138 12.5361 12.5361 12.5427 12.5427 13.7478 13.7478 13.8145 13.8145 k = 0.1576 0.2729 0.3000 ( 6644 PWs) bands (ev): -44.7634 -44.7634 -44.7634 -44.7634 -21.5202 -21.5202 -21.5201 -21.5201 -20.9037 -20.9037 -20.9035 -20.9035 -20.8259 -20.8259 -20.8259 -20.8259 -0.2376 -0.2376 -0.2361 -0.2361 6.9836 6.9836 6.9912 6.9912 8.7419 8.7419 8.7933 8.7933 9.1309 9.1309 9.2105 9.2105 12.0141 12.0141 12.0262 12.0262 12.5156 12.5156 12.5218 12.5218 13.7415 13.7415 13.8081 13.8081 k = 0.1515 0.2624 0.3000 ( 6650 PWs) bands (ev): -44.7635 -44.7635 -44.7635 -44.7635 -21.5197 -21.5197 -21.5196 -21.5196 -20.9028 -20.9028 -20.9026 -20.9026 -20.8259 -20.8259 -20.8259 -20.8259 -0.2755 -0.2755 -0.2741 -0.2741 7.0384 7.0384 7.0442 7.0442 8.7638 8.7638 8.8232 8.8232 9.1685 9.1685 9.2536 9.2536 12.0281 12.0281 12.0403 12.0403 12.4979 12.4979 12.5037 12.5037 13.7292 13.7292 13.7941 13.7941 k = 0.1455 0.2519 0.3000 ( 6642 PWs) bands (ev): -44.7636 -44.7636 -44.7636 -44.7636 -21.5192 -21.5192 -21.5191 -21.5191 -20.9018 -20.9018 -20.9017 -20.9017 -20.8260 -20.8260 -20.8260 -20.8260 -0.3128 -0.3128 -0.3116 -0.3116 7.0929 7.0929 7.0970 7.0970 8.7860 8.7860 8.8508 8.8508 9.2076 9.2076 9.2954 9.2954 12.0437 12.0437 12.0560 12.0560 12.4832 12.4832 12.4884 12.4884 13.7107 13.7107 13.7728 13.7728 k = 0.1394 0.2414 0.3000 ( 6650 PWs) bands (ev): -44.7637 -44.7637 -44.7637 -44.7637 -21.5186 -21.5186 -21.5185 -21.5185 -20.9009 -20.9009 -20.9007 -20.9007 -20.8260 -20.8260 -20.8260 -20.8260 -0.3494 -0.3494 -0.3484 -0.3484 7.1466 7.1466 7.1492 7.1492 8.8091 8.8091 8.8771 8.8771 9.2474 9.2474 9.3357 9.3357 12.0609 12.0609 12.0730 12.0730 12.4712 12.4712 12.4759 12.4759 13.6864 13.6864 13.7448 13.7448 k = 0.1333 0.2309 0.3000 ( 6652 PWs) bands (ev): -44.7638 -44.7638 -44.7638 -44.7638 -21.5181 -21.5181 -21.5180 -21.5180 -20.8999 -20.8999 -20.8998 -20.8998 -20.8261 -20.8261 -20.8260 -20.8260 -0.3854 -0.3854 -0.3845 -0.3845 7.1989 7.1989 7.2002 7.2002 8.8335 8.8335 8.9028 8.9028 9.2870 9.2870 9.3741 9.3741 12.0795 12.0795 12.0913 12.0913 12.4620 12.4620 12.4661 12.4661 13.6567 13.6567 13.7109 13.7109 k = 0.1273 0.2204 0.3000 ( 6656 PWs) bands (ev): -44.7639 -44.7639 -44.7639 -44.7639 -21.5176 -21.5176 -21.5175 -21.5175 -20.8990 -20.8990 -20.8989 -20.8989 -20.8261 -20.8261 -20.8261 -20.8261 -0.4205 -0.4205 -0.4197 -0.4197 7.2495 7.2495 7.2496 7.2496 8.8595 8.8595 8.9287 8.9287 9.3261 9.3261 9.4107 9.4107 12.0994 12.0994 12.1108 12.1108 12.4555 12.4555 12.4588 12.4588 13.6222 13.6222 13.6719 13.6719 k = 0.1212 0.2099 0.3000 ( 6660 PWs) bands (ev): -44.7640 -44.7640 -44.7640 -44.7640 -21.5171 -21.5171 -21.5170 -21.5170 -20.8981 -20.8981 -20.8980 -20.8980 -20.8261 -20.8261 -20.8261 -20.8261 -0.4546 -0.4546 -0.4539 -0.4539 7.2970 7.2970 7.2979 7.2979 8.8875 8.8875 8.9554 8.9554 9.3641 9.3641 9.4451 9.4451 12.1203 12.1203 12.1312 12.1312 12.4513 12.4513 12.4539 12.4539 13.5836 13.5836 13.6288 13.6288 k = 0.1152 0.1994 0.3000 ( 6656 PWs) bands (ev): -44.7641 -44.7641 -44.7641 -44.7641 -21.5166 -21.5166 -21.5165 -21.5165 -20.8971 -20.8971 -20.8971 -20.8971 -20.8262 -20.8262 -20.8262 -20.8262 -0.4876 -0.4876 -0.4870 -0.4870 7.3421 7.3421 7.3437 7.3437 8.9177 8.9177 8.9832 8.9832 9.4009 9.4009 9.4775 9.4775 12.1422 12.1422 12.1526 12.1526 12.4494 12.4494 12.4512 12.4512 13.5415 13.5415 13.5824 13.5824 k = 0.1091 0.1890 0.3000 ( 6654 PWs) bands (ev): -44.7642 -44.7642 -44.7642 -44.7642 -21.5161 -21.5161 -21.5160 -21.5160 -20.8963 -20.8963 -20.8962 -20.8962 -20.8262 -20.8262 -20.8262 -20.8262 -0.5195 -0.5195 -0.5190 -0.5190 7.3845 7.3845 7.3866 7.3866 8.9500 8.9500 9.0125 9.0125 9.4362 9.4362 9.5079 9.5079 12.1650 12.1650 12.1747 12.1747 12.4493 12.4493 12.4504 12.4504 13.4966 13.4966 13.5333 13.5333 k = 0.1030 0.1785 0.3000 ( 6654 PWs) bands (ev): -44.7643 -44.7643 -44.7643 -44.7643 -21.5156 -21.5156 -21.5156 -21.5156 -20.8954 -20.8954 -20.8953 -20.8953 -20.8263 -20.8263 -20.8262 -20.8262 -0.5502 -0.5502 -0.5497 -0.5497 7.4240 7.4240 7.4264 7.4264 8.9845 8.9845 9.0432 9.0432 9.4699 9.4699 9.5363 9.5363 12.1884 12.1884 12.1974 12.1974 12.4509 12.4509 12.4513 12.4513 13.4495 13.4495 13.4823 13.4823 k = 0.0970 0.1680 0.3000 ( 6652 PWs) bands (ev): -44.7644 -44.7644 -44.7644 -44.7644 -21.5151 -21.5151 -21.5151 -21.5151 -20.8946 -20.8946 -20.8945 -20.8945 -20.8263 -20.8263 -20.8263 -20.8263 -0.5795 -0.5795 -0.5791 -0.5791 7.4604 7.4604 7.4629 7.4629 9.0209 9.0209 9.0755 9.0755 9.5021 9.5021 9.5627 9.5627 12.2124 12.2124 12.2207 12.2207 12.4535 12.4535 12.4537 12.4537 13.4008 13.4008 13.4299 13.4299 k = 0.0909 0.1575 0.3000 ( 6644 PWs) bands (ev): -44.7645 -44.7645 -44.7645 -44.7645 -21.5147 -21.5147 -21.5147 -21.5147 -20.8938 -20.8938 -20.8937 -20.8937 -20.8263 -20.8263 -20.8263 -20.8263 -0.6074 -0.6074 -0.6071 -0.6071 7.4935 7.4935 7.4960 7.4960 9.0591 9.0591 9.1090 9.1090 9.5328 9.5328 9.5875 9.5875 12.2367 12.2367 12.2443 12.2443 12.4569 12.4569 12.4576 12.4576 13.3512 13.3512 13.3768 13.3768 k = 0.0848 0.1470 0.3000 ( 6644 PWs) bands (ev): -44.7645 -44.7645 -44.7645 -44.7645 -21.5143 -21.5143 -21.5142 -21.5142 -20.8930 -20.8930 -20.8930 -20.8930 -20.8264 -20.8264 -20.8263 -20.8263 -0.6338 -0.6338 -0.6336 -0.6336 7.5233 7.5233 7.5257 7.5257 9.0986 9.0986 9.1434 9.1434 9.5621 9.5621 9.6107 9.6107 12.2613 12.2613 12.2682 12.2682 12.4610 12.4610 12.4621 12.4621 13.3010 13.3010 13.3234 13.3234 k = 0.0788 0.1365 0.3000 ( 6638 PWs) bands (ev): -44.7646 -44.7646 -44.7646 -44.7646 -21.5139 -21.5139 -21.5138 -21.5138 -20.8923 -20.8923 -20.8922 -20.8922 -20.8264 -20.8264 -20.8264 -20.8264 -0.6587 -0.6587 -0.6585 -0.6585 7.5500 7.5500 7.5521 7.5521 9.1389 9.1389 9.1784 9.1784 9.5900 9.5900 9.6325 9.6325 12.2859 12.2859 12.2921 12.2921 12.4656 12.4656 12.4669 12.4669 13.2510 13.2510 13.2703 13.2703 k = 0.0727 0.1260 0.3000 ( 6638 PWs) bands (ev): -44.7647 -44.7647 -44.7647 -44.7647 -21.5135 -21.5135 -21.5135 -21.5135 -20.8916 -20.8916 -20.8916 -20.8916 -20.8264 -20.8264 -20.8264 -20.8264 -0.6819 -0.6819 -0.6818 -0.6818 7.5735 7.5735 7.5754 7.5754 9.1793 9.1793 9.2135 9.2135 9.6168 9.6168 9.6532 9.6532 12.3102 12.3102 12.3158 12.3158 12.4704 12.4704 12.4718 12.4718 13.2016 13.2016 13.2180 13.2180 k = 0.0667 0.1155 0.3000 ( 6630 PWs) bands (ev): -44.7648 -44.7648 -44.7648 -44.7648 -21.5131 -21.5131 -21.5131 -21.5131 -20.8909 -20.8909 -20.8909 -20.8909 -20.8264 -20.8264 -20.8264 -20.8264 -0.7036 -0.7036 -0.7034 -0.7034 7.5941 7.5941 7.5956 7.5956 9.2192 9.2192 9.2479 9.2479 9.6425 9.6425 9.6730 9.6730 12.3342 12.3342 12.3392 12.3392 12.4752 12.4752 12.4765 12.4765 13.1534 13.1534 13.1671 13.1671 k = 0.0606 0.1050 0.3000 ( 6638 PWs) bands (ev): -44.7648 -44.7648 -44.7648 -44.7648 -21.5128 -21.5128 -21.5128 -21.5128 -20.8903 -20.8903 -20.8903 -20.8903 -20.8264 -20.8264 -20.8264 -20.8264 -0.7235 -0.7235 -0.7234 -0.7234 7.6119 7.6119 7.6131 7.6131 9.2577 9.2577 9.2811 9.2811 9.6673 9.6673 9.6920 9.6920 12.3575 12.3575 12.3619 12.3619 12.4797 12.4797 12.4809 12.4809 13.1070 13.1070 13.1182 13.1182 k = 0.0545 0.0945 0.3000 ( 6638 PWs) bands (ev): -44.7649 -44.7649 -44.7649 -44.7649 -21.5125 -21.5125 -21.5125 -21.5125 -20.8898 -20.8898 -20.8898 -20.8898 -20.8265 -20.8265 -20.8264 -20.8264 -0.7416 -0.7416 -0.7415 -0.7415 7.6271 7.6271 7.6281 7.6281 9.2941 9.2941 9.3125 9.3125 9.6911 9.6911 9.7105 9.7105 12.3798 12.3798 12.3838 12.3838 12.4838 12.4838 12.4847 12.4847 13.0628 13.0628 13.0717 13.0717 k = 0.0485 0.0840 0.3000 ( 6648 PWs) bands (ev): -44.7649 -44.7649 -44.7649 -44.7649 -21.5122 -21.5122 -21.5122 -21.5122 -20.8893 -20.8893 -20.8893 -20.8893 -20.8265 -20.8265 -20.8265 -20.8265 -0.7579 -0.7579 -0.7579 -0.7579 7.6400 7.6400 7.6407 7.6407 9.3277 9.3277 9.3415 9.3415 9.7139 9.7139 9.7284 9.7284 12.4010 12.4010 12.4044 12.4044 12.4873 12.4873 12.4878 12.4878 13.0216 13.0216 13.0284 13.0284 k = 0.0424 0.0735 0.3000 ( 6644 PWs) bands (ev): -44.7650 -44.7650 -44.7650 -44.7650 -21.5120 -21.5120 -21.5120 -21.5120 -20.8888 -20.8888 -20.8888 -20.8888 -20.8265 -20.8265 -20.8265 -20.8265 -0.7724 -0.7724 -0.7724 -0.7724 7.6508 7.6508 7.6513 7.6513 9.3580 9.3580 9.3677 9.3677 9.7355 9.7355 9.7458 9.7458 12.4206 12.4206 12.4235 12.4235 12.4901 12.4901 12.4902 12.4902 12.9837 12.9837 12.9887 12.9887 k = 0.0364 0.0630 0.3000 ( 6652 PWs) bands (ev): -44.7650 -44.7650 -44.7650 -44.7650 -21.5118 -21.5118 -21.5118 -21.5118 -20.8885 -20.8885 -20.8885 -20.8885 -20.8265 -20.8265 -20.8265 -20.8265 -0.7850 -0.7850 -0.7850 -0.7850 7.6597 7.6597 7.6600 7.6600 9.3843 9.3843 9.3907 9.3907 9.7556 9.7556 9.7624 9.7624 12.4385 12.4385 12.4409 12.4409 12.4919 12.4919 12.4922 12.4922 12.9498 12.9498 12.9533 12.9533 k = 0.0303 0.0525 0.3000 ( 6652 PWs) bands (ev): -44.7651 -44.7651 -44.7651 -44.7651 -21.5116 -21.5116 -21.5116 -21.5116 -20.8881 -20.8881 -20.8881 -20.8881 -20.8265 -20.8265 -20.8265 -20.8265 -0.7958 -0.7958 -0.7958 -0.7958 7.6668 7.6668 7.6670 7.6670 9.4065 9.4065 9.4104 9.4104 9.7738 9.7738 9.7778 9.7778 12.4542 12.4542 12.4562 12.4562 12.4929 12.4929 12.4935 12.4935 12.9203 12.9203 12.9225 12.9225 k = 0.0242 0.0420 0.3000 ( 6656 PWs) bands (ev): -44.7651 -44.7651 -44.7651 -44.7651 -21.5114 -21.5114 -21.5114 -21.5114 -20.8879 -20.8879 -20.8879 -20.8879 -20.8265 -20.8265 -20.8265 -20.8265 -0.8046 -0.8046 -0.8046 -0.8046 7.6724 7.6724 7.6725 7.6725 9.4244 9.4244 9.4265 9.4265 9.7895 9.7895 9.7916 9.7916 12.4676 12.4676 12.4692 12.4692 12.4935 12.4935 12.4942 12.4942 12.8957 12.8957 12.8968 12.8968 k = 0.0182 0.0315 0.3000 ( 6658 PWs) bands (ev): -44.7651 -44.7651 -44.7651 -44.7651 -21.5113 -21.5113 -21.5113 -21.5113 -20.8876 -20.8876 -20.8876 -20.8876 -20.8265 -20.8265 -20.8265 -20.8265 -0.8115 -0.8115 -0.8115 -0.8115 7.6766 7.6766 7.6767 7.6767 9.4381 9.4381 9.4390 9.4390 9.8024 9.8024 9.8033 9.8033 12.4784 12.4784 12.4795 12.4795 12.4937 12.4937 12.4944 12.4944 12.8761 12.8761 12.8766 12.8766 k = 0.0121 0.0210 0.3000 ( 6662 PWs) bands (ev): -44.7651 -44.7651 -44.7651 -44.7651 -21.5112 -21.5112 -21.5112 -21.5112 -20.8875 -20.8875 -20.8875 -20.8875 -20.8265 -20.8265 -20.8265 -20.8265 -0.8164 -0.8164 -0.8164 -0.8164 7.6795 7.6795 7.6795 7.6795 9.4477 9.4477 9.4480 9.4480 9.8119 9.8119 9.8121 9.8121 12.4863 12.4863 12.4869 12.4869 12.4938 12.4938 12.4943 12.4943 12.8619 12.8619 12.8621 12.8621 k = 0.0061 0.0105 0.3000 ( 6666 PWs) bands (ev): -44.7651 -44.7651 -44.7651 -44.7651 -21.5112 -21.5112 -21.5112 -21.5112 -20.8874 -20.8874 -20.8874 -20.8874 -20.8265 -20.8265 -20.8265 -20.8265 -0.8193 -0.8193 -0.8193 -0.8193 7.6812 7.6812 7.6812 7.6812 9.4534 9.4534 9.4534 9.4534 9.8177 9.8177 9.8177 9.8177 12.4909 12.4909 12.4911 12.4911 12.4942 12.4942 12.4943 12.4943 12.8533 12.8533 12.8533 12.8533 k = 0.0000 0.0000 0.3000 ( 6670 PWs) bands (ev): -44.7651 -44.7651 -44.7651 -44.7651 -21.5112 -21.5112 -21.5112 -21.5112 -20.8874 -20.8874 -20.8874 -20.8874 -20.8265 -20.8265 -20.8265 -20.8265 -0.8203 -0.8203 -0.8203 -0.8203 7.6818 7.6818 7.6818 7.6818 9.4552 9.4552 9.4552 9.4552 9.8196 9.8196 9.8196 9.8196 12.4921 12.4921 12.4921 12.4921 12.4946 12.4946 12.4946 12.4946 12.8504 12.8504 12.8504 12.8504 k = 0.5000 0.2887 0.3000 ( 6636 PWs) bands (ev): -44.7621 -44.7621 -44.7621 -44.7621 -21.5272 -21.5272 -21.5272 -21.5272 -20.9158 -20.9158 -20.9158 -20.9158 -20.8248 -20.8248 -20.8248 -20.8248 0.3229 0.3229 0.3229 0.3229 5.8965 5.8965 5.8965 5.8965 8.6169 8.6169 8.6169 8.6169 9.1596 9.1596 9.1596 9.1596 11.6082 11.6082 11.6082 11.6082 13.3922 13.3922 13.3922 13.3922 13.6322 13.6322 13.6322 13.6322 k = 0.5000 0.2887 0.2880 ( 6630 PWs) bands (ev): -44.7626 -44.7626 -44.7617 -44.7617 -21.5279 -21.5279 -21.5265 -21.5265 -20.9166 -20.9166 -20.9150 -20.9150 -20.8285 -20.8285 -20.8211 -20.8211 0.3227 0.3227 0.3230 0.3230 5.8635 5.8635 5.9323 5.9323 8.5994 8.5994 8.6303 8.6303 9.1400 9.1400 9.1796 9.1796 11.5458 11.5458 11.6702 11.6702 13.3849 13.3849 13.3989 13.3989 13.6144 13.6144 13.6503 13.6503 k = 0.5000 0.2887 0.2760 ( 6630 PWs) bands (ev): -44.7630 -44.7630 -44.7612 -44.7612 -21.5286 -21.5286 -21.5258 -21.5258 -20.9173 -20.9173 -20.9143 -20.9143 -20.8321 -20.8321 -20.8174 -20.8174 0.3223 0.3223 0.3229 0.3229 5.8331 5.8331 5.9708 5.9708 8.5783 8.5783 8.6395 8.6395 9.1208 9.1208 9.2000 9.2000 11.4832 11.4832 11.7313 11.7313 13.3772 13.3772 13.4048 13.4048 13.5971 13.5971 13.6689 13.6689 k = 0.5000 0.2887 0.2640 ( 6630 PWs) bands (ev): -44.7635 -44.7635 -44.7608 -44.7608 -21.5293 -21.5293 -21.5252 -21.5252 -20.9181 -20.9181 -20.9135 -20.9135 -20.8357 -20.8357 -20.8136 -20.8136 0.3218 0.3218 0.3227 0.3227 5.8055 5.8055 6.0121 6.0121 8.5537 8.5537 8.6444 8.6444 9.1019 9.1019 9.2208 9.2208 11.4208 11.4208 11.7912 11.7912 13.3692 13.3692 13.4097 13.4097 13.5802 13.5802 13.6877 13.6877 k = 0.5000 0.2887 0.2520 ( 6630 PWs) bands (ev): -44.7639 -44.7639 -44.7603 -44.7603 -21.5300 -21.5300 -21.5246 -21.5246 -20.9189 -20.9189 -20.9128 -20.9128 -20.8392 -20.8392 -20.8099 -20.8099 0.3211 0.3211 0.3223 0.3223 5.7804 5.7804 6.0560 6.0560 8.5262 8.5262 8.6451 8.6451 9.0830 9.0830 9.2418 9.2418 11.3589 11.3589 11.8496 11.8496 13.3610 13.3610 13.4133 13.4133 13.5639 13.5639 13.7068 13.7068 k = 0.5000 0.2887 0.2400 ( 6630 PWs) bands (ev): -44.7643 -44.7643 -44.7599 -44.7599 -21.5308 -21.5308 -21.5240 -21.5240 -20.9196 -20.9196 -20.9121 -20.9121 -20.8426 -20.8426 -20.8063 -20.8063 0.3203 0.3203 0.3217 0.3217 5.7579 5.7579 6.1025 6.1025 8.4960 8.4960 8.6415 8.6415 9.0639 9.0639 9.2630 9.2630 11.2980 11.2980 11.9061 11.9061 13.3528 13.3528 13.4152 13.4152 13.5480 13.5480 13.7261 13.7261 k = 0.5000 0.2887 0.2280 ( 6636 PWs) bands (ev): -44.7648 -44.7648 -44.7595 -44.7595 -21.5315 -21.5315 -21.5234 -21.5234 -20.9204 -20.9204 -20.9114 -20.9114 -20.8460 -20.8460 -20.8027 -20.8027 0.3193 0.3193 0.3211 0.3211 5.7379 5.7379 6.1517 6.1517 8.4636 8.4636 8.6339 8.6339 9.0443 9.0443 9.2843 9.2843 11.2382 11.2382 11.9604 11.9604 13.3445 13.3445 13.4150 13.4150 13.5327 13.5327 13.7455 13.7455 k = 0.5000 0.2887 0.2160 ( 6626 PWs) bands (ev): -44.7652 -44.7652 -44.7591 -44.7591 -21.5322 -21.5322 -21.5229 -21.5229 -20.9211 -20.9211 -20.9107 -20.9107 -20.8492 -20.8492 -20.7991 -20.7991 0.3182 0.3182 0.3203 0.3203 5.7203 5.7203 6.2034 6.2034 8.4296 8.4296 8.6223 8.6223 9.0240 9.0240 9.3055 9.3055 11.1799 11.1799 12.0123 12.0123 13.3364 13.3364 13.4120 13.4120 13.5179 13.5179 13.7646 13.7646 k = 0.5000 0.2887 0.2040 ( 6634 PWs) bands (ev): -44.7656 -44.7656 -44.7587 -44.7587 -21.5330 -21.5330 -21.5224 -21.5224 -20.9218 -20.9218 -20.9101 -20.9101 -20.8523 -20.8523 -20.7957 -20.7957 0.3170 0.3170 0.3195 0.3195 5.7050 5.7050 6.2575 6.2575 8.3942 8.3942 8.6069 8.6069 9.0027 9.0027 9.3266 9.3266 11.1233 11.1233 12.0617 12.0617 13.3283 13.3283 13.4057 13.4057 13.5038 13.5038 13.7829 13.7829 k = 0.5000 0.2887 0.1920 ( 6636 PWs) bands (ev): -44.7660 -44.7660 -44.7583 -44.7583 -21.5337 -21.5337 -21.5219 -21.5219 -20.9225 -20.9225 -20.9095 -20.9095 -20.8552 -20.8552 -20.7923 -20.7923 0.3157 0.3157 0.3185 0.3185 5.6918 5.6918 6.3139 6.3139 8.3579 8.3579 8.5878 8.5878 8.9806 8.9806 9.3474 9.3474 11.0688 11.0688 12.1082 12.1082 13.3204 13.3204 13.3955 13.3955 13.4903 13.4903 13.7922 13.7922 k = 0.5000 0.2887 0.1800 ( 6636 PWs) bands (ev): -44.7663 -44.7663 -44.7579 -44.7579 -21.5344 -21.5344 -21.5215 -21.5215 -20.9231 -20.9231 -20.9089 -20.9089 -20.8581 -20.8581 -20.7891 -20.7891 0.3144 0.3144 0.3175 0.3175 5.6807 5.6807 6.3724 6.3724 8.3212 8.3212 8.5650 8.5650 8.9576 8.9576 9.3679 9.3679 11.0165 11.0165 12.1520 12.1520 13.3128 13.3128 13.3812 13.3812 13.4774 13.4774 13.7657 13.7657 k = 0.5000 0.2887 0.1680 ( 6630 PWs) bands (ev): -44.7667 -44.7667 -44.7575 -44.7575 -21.5351 -21.5351 -21.5211 -21.5211 -20.9238 -20.9238 -20.9084 -20.9084 -20.8607 -20.8607 -20.7860 -20.7860 0.3130 0.3130 0.3165 0.3165 5.6715 5.6715 6.4330 6.4330 8.2845 8.2845 8.5384 8.5384 8.9341 8.9341 9.3879 9.3879 10.9666 10.9666 12.1928 12.1928 13.3053 13.3053 13.3627 13.3627 13.4652 13.4652 13.7397 13.7397 k = 0.5000 0.2887 0.1560 ( 6630 PWs) bands (ev): -44.7670 -44.7670 -44.7572 -44.7572 -21.5357 -21.5357 -21.5207 -21.5207 -20.9244 -20.9244 -20.9079 -20.9079 -20.8632 -20.8632 -20.7830 -20.7830 0.3115 0.3115 0.3154 0.3154 5.6640 5.6640 6.4953 6.4953 8.2482 8.2482 8.5079 8.5079 8.9105 8.9105 9.4072 9.4072 10.9193 10.9193 12.2306 12.2306 13.2980 13.2980 13.3408 13.3408 13.4537 13.4537 13.7196 13.7196 k = 0.5000 0.2887 0.1440 ( 6638 PWs) bands (ev): -44.7674 -44.7674 -44.7569 -44.7569 -21.5364 -21.5364 -21.5204 -21.5204 -20.9249 -20.9249 -20.9075 -20.9075 -20.8655 -20.8655 -20.7802 -20.7802 0.3101 0.3101 0.3143 0.3143 5.6581 5.6581 6.5591 6.5591 8.2127 8.2127 8.4735 8.4735 8.8872 8.8872 9.4258 9.4258 10.8749 10.8749 12.2655 12.2655 13.2905 13.2905 13.3169 13.3169 13.4430 13.4430 13.7049 13.7049 k = 0.5000 0.2887 0.1320 ( 6642 PWs) bands (ev): -44.7677 -44.7677 -44.7566 -44.7566 -21.5370 -21.5370 -21.5200 -21.5200 -20.9254 -20.9254 -20.9071 -20.9071 -20.8677 -20.8677 -20.7776 -20.7776 0.3086 0.3086 0.3132 0.3132 5.6536 5.6536 6.6242 6.6242 8.1783 8.1783 8.4351 8.4351 8.8648 8.8648 9.4435 9.4435 10.8335 10.8335 12.2976 12.2976 13.2801 13.2801 13.2948 13.2948 13.4330 13.4330 13.6946 13.6947 k = 0.5000 0.2887 0.1200 ( 6632 PWs) bands (ev): -44.7679 -44.7679 -44.7563 -44.7563 -21.5375 -21.5375 -21.5197 -21.5197 -20.9259 -20.9259 -20.9067 -20.9067 -20.8696 -20.8696 -20.7751 -20.7751 0.3072 0.3072 0.3122 0.3122 5.6503 5.6503 6.6902 6.6902 8.1454 8.1454 8.3931 8.3931 8.8437 8.8437 9.4602 9.4602 10.7951 10.7951 12.3267 12.3267 13.2590 13.2590 13.2833 13.2833 13.4238 13.4238 13.6876 13.6876 k = 0.5000 0.2887 0.1080 ( 6622 PWs) bands (ev): -44.7682 -44.7682 -44.7561 -44.7561 -21.5381 -21.5381 -21.5195 -21.5195 -20.9264 -20.9264 -20.9064 -20.9064 -20.8714 -20.8714 -20.7729 -20.7729 0.3059 0.3059 0.3112 0.3112 5.6480 5.6480 6.7566 6.7566 8.1143 8.1143 8.3477 8.3477 8.8243 8.8243 9.4758 9.4758 10.7601 10.7601 12.3531 12.3531 13.2338 13.2338 13.2769 13.2769 13.4154 13.4154 13.6832 13.6832 k = 0.5000 0.2887 0.0960 ( 6632 PWs) bands (ev): -44.7684 -44.7684 -44.7558 -44.7558 -21.5385 -21.5385 -21.5192 -21.5192 -20.9268 -20.9268 -20.9062 -20.9062 -20.8729 -20.8729 -20.7708 -20.7708 0.3046 0.3046 0.3102 0.3102 5.6466 5.6466 6.8229 6.8229 8.0853 8.0853 8.2996 8.2996 8.8068 8.8068 9.4901 9.4901 10.7284 10.7284 12.3766 12.3766 13.2092 13.2092 13.2717 13.2717 13.4078 13.4078 13.6805 13.6805 k = 0.5000 0.2887 0.0840 ( 6634 PWs) bands (ev): -44.7686 -44.7686 -44.7556 -44.7556 -21.5390 -21.5390 -21.5190 -21.5190 -20.9272 -20.9272 -20.9060 -20.9060 -20.8743 -20.8743 -20.7690 -20.7690 0.3035 0.3035 0.3094 0.3094 5.6459 5.6459 6.8882 6.8882 8.0586 8.0586 8.2497 8.2497 8.7914 8.7914 9.5031 9.5031 10.7003 10.7003 12.3974 12.3974 13.1862 13.1862 13.2672 13.2672 13.4011 13.4011 13.6790 13.6790 k = 0.5000 0.2887 0.0720 ( 6646 PWs) bands (ev): -44.7688 -44.7688 -44.7554 -44.7554 -21.5394 -21.5394 -21.5189 -21.5189 -20.9275 -20.9275 -20.9058 -20.9058 -20.8755 -20.8755 -20.7674 -20.7674 0.3024 0.3024 0.3086 0.3086 5.6457 5.6457 6.9517 6.9517 8.0344 8.0344 8.1995 8.1995 8.7780 8.7780 9.5145 9.5145 10.6757 10.6757 12.4154 12.4154 13.1655 13.1655 13.2634 13.2634 13.3952 13.3952 13.6783 13.6783 k = 0.5000 0.2887 0.0600 ( 6652 PWs) bands (ev): -44.7690 -44.7690 -44.7553 -44.7553 -21.5397 -21.5397 -21.5187 -21.5187 -20.9277 -20.9277 -20.9057 -20.9057 -20.8765 -20.8765 -20.7660 -20.7660 0.3015 0.3015 0.3079 0.3079 5.6458 5.6458 7.0120 7.0120 8.0126 8.0126 8.1507 8.1507 8.7669 8.7669 9.5244 9.5244 10.6547 10.6547 12.4306 12.4306 13.1475 13.1475 13.2601 13.2601 13.3902 13.3902 13.6781 13.6781 k = 0.5000 0.2887 0.0480 ( 6660 PWs) bands (ev): -44.7691 -44.7691 -44.7552 -44.7552 -21.5400 -21.5400 -21.5186 -21.5186 -20.9280 -20.9280 -20.9056 -20.9056 -20.8773 -20.8773 -20.7649 -20.7649 0.3007 0.3007 0.3073 0.3073 5.6462 5.6462 7.0673 7.0673 7.9932 7.9932 8.1057 8.1057 8.7578 8.7578 9.5326 9.5326 10.6375 10.6375 12.4431 12.4431 13.1324 13.1324 13.2575 13.2575 13.3861 13.3861 13.6782 13.6782 k = 0.5000 0.2887 0.0360 ( 6664 PWs) bands (ev): -44.7692 -44.7692 -44.7551 -44.7551 -21.5402 -21.5402 -21.5185 -21.5185 -20.9281 -20.9281 -20.9056 -20.9056 -20.8779 -20.8779 -20.7640 -20.7640 0.3001 0.3001 0.3069 0.3069 5.6466 5.6466 7.1153 7.1153 7.9758 7.9758 8.0675 8.0675 8.7508 8.7508 9.5391 9.5391 10.6241 10.6241 12.4529 12.4529 13.1205 13.1205 13.2554 13.2554 13.3829 13.3829 13.6785 13.6785 k = 0.5000 0.2887 0.0240 ( 6658 PWs) bands (ev): -44.7692 -44.7692 -44.7550 -44.7550 -21.5403 -21.5403 -21.5184 -21.5184 -20.9283 -20.9283 -20.9055 -20.9055 -20.8784 -20.8784 -20.7634 -20.7634 0.2997 0.2997 0.3065 0.3065 5.6469 5.6469 7.1532 7.1532 7.9606 7.9606 8.0392 8.0392 8.7458 8.7458 9.5438 9.5438 10.6144 10.6144 12.4598 12.4598 13.1119 13.1119 13.2539 13.2539 13.3806 13.3806 13.6787 13.6787 k = 0.5000 0.2887 0.0120 ( 6660 PWs) bands (ev): -44.7693 -44.7693 -44.7550 -44.7550 -21.5404 -21.5404 -21.5184 -21.5184 -20.9283 -20.9283 -20.9055 -20.9055 -20.8786 -20.8786 -20.7630 -20.7630 0.2994 0.2994 0.3063 0.3063 5.6472 5.6472 7.1777 7.1777 7.9493 7.9493 8.0225 8.0225 8.7428 8.7428 9.5466 9.5466 10.6086 10.6086 12.4640 12.4640 13.1067 13.1067 13.2530 13.2530 13.3792 13.3792 13.6789 13.6789 k = 0.5000 0.2887-0.0000 ( 6656 PWs) bands (ev): -44.7693 -44.7693 -44.7549 -44.7549 -21.5405 -21.5405 -21.5184 -21.5184 -20.9284 -20.9284 -20.9055 -20.9055 -20.8787 -20.8787 -20.7629 -20.7629 0.2993 0.2993 0.3063 0.3063 5.6473 5.6473 7.1862 7.1862 7.9450 7.9450 8.0172 8.0172 8.7418 8.7418 9.5475 9.5475 10.6067 10.6067 12.4654 12.4654 13.1050 13.1050 13.2527 13.2527 13.3788 13.3788 13.6790 13.6790 k = 0.3333 0.5774-0.0000 ( 6642 PWs) bands (ev): -44.7689 -44.7689 -44.7546 -44.7546 -21.5415 -21.5415 -21.5206 -21.5206 -20.9322 -20.9322 -20.9051 -20.9051 -20.8821 -20.8821 -20.7635 -20.7635 0.4674 0.4674 0.4745 0.4745 6.2693 6.2693 6.7788 6.7788 7.1589 7.1589 8.0933 8.0933 8.2077 8.2077 8.6128 8.6128 12.4086 12.4086 12.9246 12.9246 12.9643 12.9643 12.9850 12.9850 13.0037 13.0037 13.4178 13.4178 k = 0.3333 0.5774 0.0120 ( 6642 PWs) bands (ev): -44.7689 -44.7689 -44.7546 -44.7546 -21.5415 -21.5415 -21.5206 -21.5206 -20.9322 -20.9322 -20.9051 -20.9051 -20.8820 -20.8820 -20.7637 -20.7637 0.4674 0.4674 0.4745 0.4745 6.2708 6.2708 6.7773 6.7773 7.1564 7.1564 8.0959 8.0959 8.2101 8.2101 8.6103 8.6103 12.4097 12.4097 12.9063 12.9063 12.9405 12.9405 13.0030 13.0030 13.0271 13.0271 13.4180 13.4180 k = 0.3333 0.5774 0.0240 ( 6642 PWs) bands (ev): -44.7689 -44.7689 -44.7546 -44.7546 -21.5414 -21.5414 -21.5206 -21.5206 -20.9321 -20.9321 -20.9052 -20.9052 -20.8816 -20.8816 -20.7640 -20.7640 0.4675 0.4675 0.4746 0.4746 6.2754 6.2754 6.7726 6.7726 7.1491 7.1491 8.1034 8.1034 8.2170 8.2170 8.6030 8.6030 12.4131 12.4131 12.8728 12.8728 12.9037 12.9037 13.0354 13.0354 13.0627 13.0627 13.4186 13.4186 k = 0.3333 0.5774 0.0360 ( 6633 PWs) bands (ev): -44.7688 -44.7688 -44.7547 -44.7547 -21.5413 -21.5413 -21.5207 -21.5207 -20.9320 -20.9320 -20.9053 -20.9053 -20.8811 -20.8811 -20.7647 -20.7647 0.4677 0.4677 0.4748 0.4748 6.2831 6.2831 6.7651 6.7651 7.1372 7.1372 8.1152 8.1152 8.2283 8.2283 8.5914 8.5914 12.4187 12.4187 12.8362 12.8362 12.8652 12.8652 13.0703 13.0703 13.0993 13.0993 13.4194 13.4194 k = 0.3333 0.5774 0.0480 ( 6639 PWs) bands (ev): -44.7687 -44.7687 -44.7548 -44.7548 -21.5411 -21.5411 -21.5208 -21.5208 -20.9318 -20.9318 -20.9055 -20.9055 -20.8804 -20.8804 -20.7656 -20.7656 0.4679 0.4679 0.4750 0.4750 6.2938 6.2938 6.7548 6.7548 7.1215 7.1215 8.1300 8.1300 8.2437 8.2437 8.5761 8.5761 12.4264 12.4264 12.7985 12.7985 12.8260 12.8260 13.1058 13.1058 13.1358 13.1358 13.4202 13.4202 k = 0.3333 0.5774 0.0600 ( 6642 PWs) bands (ev): -44.7686 -44.7686 -44.7549 -44.7549 -21.5408 -21.5408 -21.5209 -21.5209 -20.9316 -20.9316 -20.9057 -20.9057 -20.8794 -20.8794 -20.7667 -20.7667 0.4682 0.4682 0.4752 0.4752 6.3076 6.3076 6.7422 6.7422 7.1025 7.1025 8.1463 8.1463 8.2630 8.2630 8.5584 8.5584 12.4364 12.4364 12.7603 12.7603 12.7865 12.7865 13.1411 13.1411 13.1721 13.1721 13.4205 13.4205 k = 0.3333 0.5774 0.0720 ( 6633 PWs) bands (ev): -44.7684 -44.7684 -44.7551 -44.7551 -21.5405 -21.5405 -21.5210 -21.5210 -20.9313 -20.9313 -20.9060 -20.9060 -20.8783 -20.8783 -20.7681 -20.7681 0.4685 0.4685 0.4755 0.4755 6.3243 6.3243 6.7276 6.7276 7.0811 7.0811 8.1616 8.1616 8.2855 8.2855 8.5400 8.5400 12.4485 12.4485 12.7221 12.7221 12.7470 12.7470 13.1763 13.1763 13.2080 13.2080 13.4200 13.4200 k = 0.3333 0.5774 0.0840 ( 6627 PWs) bands (ev): -44.7682 -44.7682 -44.7553 -44.7553 -21.5401 -21.5401 -21.5212 -21.5212 -20.9310 -20.9310 -20.9064 -20.9064 -20.8770 -20.8770 -20.7697 -20.7697 0.4688 0.4688 0.4759 0.4759 6.3439 6.3439 6.7113 6.7113 7.0579 7.0579 8.1730 8.1730 8.3109 8.3109 8.5238 8.5238 12.4627 12.4627 12.6838 12.6838 12.7077 12.7077 13.2112 13.2112 13.2435 13.2435 13.4183 13.4183 k = 0.3333 0.5774 0.0960 ( 6618 PWs) bands (ev): -44.7680 -44.7680 -44.7555 -44.7555 -21.5397 -21.5397 -21.5214 -21.5214 -20.9306 -20.9306 -20.9067 -20.9067 -20.8754 -20.8754 -20.7715 -20.7715 0.4692 0.4692 0.4763 0.4763 6.3663 6.3663 6.6937 6.6937 7.0335 7.0335 8.1766 8.1766 8.3387 8.3387 8.5130 8.5130 12.4789 12.4789 12.6459 12.6459 12.6686 12.6686 13.2458 13.2458 13.2786 13.2786 13.4150 13.4150 k = 0.3333 0.5774 0.1080 ( 6624 PWs) bands (ev): -44.7678 -44.7678 -44.7557 -44.7557 -21.5392 -21.5392 -21.5216 -21.5216 -20.9301 -20.9301 -20.9072 -20.9072 -20.8737 -20.8737 -20.7735 -20.7735 0.4697 0.4697 0.4767 0.4767 6.3914 6.3914 6.6753 6.6753 7.0088 7.0088 8.1690 8.1690 8.3683 8.3683 8.5109 8.5109 12.4969 12.4969 12.6084 12.6084 12.6303 12.6303 13.2801 13.2801 13.3134 13.3134 13.4097 13.4097 k = 0.3333 0.5774 0.1200 ( 6630 PWs) bands (ev): -44.7676 -44.7676 -44.7559 -44.7559 -21.5387 -21.5387 -21.5218 -21.5218 -20.9297 -20.9297 -20.9077 -20.9077 -20.8717 -20.8717 -20.7758 -20.7758 0.4701 0.4701 0.4772 0.4772 6.4191 6.4191 6.6563 6.6563 6.9841 6.9841 8.1487 8.1487 8.3992 8.3992 8.5187 8.5187 12.5161 12.5161 12.5715 12.5715 12.5933 12.5933 13.3141 13.3141 13.3478 13.3478 13.4021 13.4021 k = 0.3333 0.5774 0.1320 ( 6618 PWs) bands (ev): -44.7673 -44.7673 -44.7562 -44.7562 -21.5382 -21.5382 -21.5221 -21.5221 -20.9291 -20.9291 -20.9082 -20.9082 -20.8696 -20.8696 -20.7782 -20.7782 0.4706 0.4706 0.4777 0.4777 6.4491 6.4491 6.6371 6.6371 6.9600 6.9600 8.1167 8.1167 8.4310 8.4310 8.5354 8.5354 12.5315 12.5315 12.5354 12.5354 12.5628 12.5628 13.3478 13.3478 13.3819 13.3819 13.3919 13.3919 k = 0.3333 0.5774 0.1440 ( 6618 PWs) bands (ev): -44.7670 -44.7670 -44.7565 -44.7565 -21.5376 -21.5376 -21.5224 -21.5224 -20.9286 -20.9286 -20.9088 -20.9088 -20.8674 -20.8674 -20.7809 -20.7809 0.4711 0.4711 0.4782 0.4782 6.4813 6.4813 6.6180 6.6180 6.9371 6.9371 8.0751 8.0751 8.4631 8.4631 8.5586 8.5586 12.5004 12.5004 12.5126 12.5126 12.5696 12.5696 13.3790 13.3790 13.3813 13.3813 13.4158 13.4158 k = 0.3333 0.5774 0.1560 ( 6600 PWs) bands (ev): -44.7667 -44.7667 -44.7568 -44.7568 -21.5370 -21.5370 -21.5227 -21.5227 -20.9280 -20.9280 -20.9094 -20.9094 -20.8649 -20.8649 -20.7837 -20.7837 0.4716 0.4716 0.4787 0.4787 6.5152 6.5152 6.5994 6.5994 6.9159 6.9159 8.0265 8.0265 8.4951 8.4951 8.5859 8.5859 12.4667 12.4667 12.4796 12.4796 12.5935 12.5935 13.3632 13.3632 13.4146 13.4146 13.4493 13.4493 k = 0.3333 0.5774 0.1680 ( 6597 PWs) bands (ev): -44.7663 -44.7663 -44.7572 -44.7572 -21.5364 -21.5364 -21.5231 -21.5231 -20.9273 -20.9273 -20.9100 -20.9100 -20.8623 -20.8623 -20.7866 -20.7866 0.4721 0.4721 0.4792 0.4792 6.5504 6.5504 6.5814 6.5814 6.8971 6.8971 7.9728 7.9728 8.5264 8.5264 8.6153 8.6153 12.4345 12.4345 12.4467 12.4467 12.6206 12.6206 13.3446 13.3446 13.4476 13.4476 13.4826 13.4826 k = 0.3333 0.5774 0.1800 ( 6612 PWs) bands (ev): -44.7660 -44.7660 -44.7575 -44.7575 -21.5357 -21.5357 -21.5235 -21.5235 -20.9267 -20.9267 -20.9107 -20.9107 -20.8595 -20.8595 -20.7897 -20.7897 0.4726 0.4726 0.4796 0.4796 6.5643 6.5643 6.5859 6.5859 6.8817 6.8817 7.9155 7.9155 8.5568 8.5568 8.6454 8.6454 12.4040 12.4040 12.4152 12.4152 12.6496 12.6496 13.3233 13.3233 13.4804 13.4804 13.5157 13.5157 k = 0.3333 0.5774 0.1920 ( 6600 PWs) bands (ev): -44.7656 -44.7656 -44.7579 -44.7579 -21.5350 -21.5350 -21.5239 -21.5239 -20.9260 -20.9260 -20.9114 -20.9114 -20.8566 -20.8566 -20.7930 -20.7930 0.4730 0.4730 0.4801 0.4801 6.5482 6.5482 6.6202 6.6202 6.8710 6.8710 7.8556 7.8556 8.5856 8.5856 8.6750 8.6750 12.3754 12.3754 12.3855 12.3855 12.6803 12.6803 13.2993 13.2993 13.5130 13.5130 13.5485 13.5485 k = 0.3333 0.5774 0.2040 ( 6585 PWs) bands (ev): -44.7652 -44.7652 -44.7583 -44.7583 -21.5343 -21.5343 -21.5243 -21.5243 -20.9252 -20.9252 -20.9121 -20.9121 -20.8535 -20.8535 -20.7963 -20.7963 0.4735 0.4735 0.4805 0.4805 6.5335 6.5335 6.6513 6.6513 6.8673 6.8673 7.7943 7.7943 8.6127 8.6127 8.7034 8.7034 12.3491 12.3491 12.3581 12.3581 12.7123 12.7123 13.2728 13.2728 13.5454 13.5454 13.5810 13.5810 k = 0.3333 0.5774 0.2160 ( 6585 PWs) bands (ev): -44.7648 -44.7648 -44.7587 -44.7587 -21.5336 -21.5336 -21.5248 -21.5248 -20.9245 -20.9245 -20.9129 -20.9129 -20.8504 -20.8504 -20.7998 -20.7998 0.4739 0.4739 0.4810 0.4810 6.5201 6.5201 6.6759 6.6759 6.8733 6.8733 7.7323 7.7323 8.6375 8.6375 8.7298 8.7298 12.3253 12.3253 12.3332 12.3332 12.7457 12.7457 13.2441 13.2441 13.5775 13.5775 13.6132 13.6132 k = 0.3333 0.5774 0.2280 ( 6585 PWs) bands (ev): -44.7644 -44.7644 -44.7591 -44.7591 -21.5329 -21.5329 -21.5253 -21.5253 -20.9237 -20.9237 -20.9137 -20.9137 -20.8471 -20.8471 -20.8033 -20.8033 0.4742 0.4742 0.4813 0.4813 6.5082 6.5082 6.6920 6.6920 6.8910 6.8910 7.6706 7.6706 8.6597 8.6597 8.7537 8.7537 12.3040 12.3040 12.3109 12.3109 12.7801 12.7801 13.2133 13.2133 13.6094 13.6094 13.6452 13.6452 k = 0.3333 0.5774 0.2400 ( 6594 PWs) bands (ev): -44.7640 -44.7640 -44.7595 -44.7595 -21.5322 -21.5322 -21.5258 -21.5258 -20.9229 -20.9229 -20.9145 -20.9145 -20.8437 -20.8437 -20.8070 -20.8070 0.4745 0.4745 0.4816 0.4816 6.4980 6.4980 6.6999 6.6999 6.9192 6.9192 7.6101 7.6101 8.6791 8.6791 8.7747 8.7747 12.2857 12.2857 12.2917 12.2917 12.8156 12.8156 13.1809 13.1809 13.6411 13.6411 13.6769 13.6769 k = 0.3333 0.5774 0.2520 ( 6600 PWs) bands (ev): -44.7635 -44.7635 -44.7600 -44.7600 -21.5315 -21.5315 -21.5264 -21.5264 -20.9221 -20.9221 -20.9153 -20.9153 -20.8402 -20.8402 -20.8106 -20.8106 0.4748 0.4748 0.4819 0.4819 6.4896 6.4896 6.7023 6.7023 6.9543 6.9543 7.5523 7.5523 8.6954 8.6954 8.7924 8.7924 12.2704 12.2704 12.2756 12.2756 12.8518 12.8518 13.1469 13.1469 13.6724 13.6724 13.7082 13.7082 k = 0.3333 0.5774 0.2640 ( 6618 PWs) bands (ev): -44.7631 -44.7631 -44.7604 -44.7604 -21.5309 -21.5309 -21.5270 -21.5270 -20.9212 -20.9212 -20.9161 -20.9161 -20.8366 -20.8366 -20.8144 -20.8144 0.4750 0.4750 0.4821 0.4821 6.4829 6.4829 6.7020 6.7020 6.9917 6.9917 7.4991 7.4991 8.7083 8.7083 8.8064 8.8064 12.2583 12.2583 12.2630 12.2630 12.8886 12.8886 13.1117 13.1117 13.7035 13.7035 13.7392 13.7392 k = 0.3333 0.5774 0.2760 ( 6600 PWs) bands (ev): -44.7627 -44.7627 -44.7609 -44.7609 -21.5302 -21.5302 -21.5275 -21.5275 -20.9204 -20.9204 -20.9170 -20.9170 -20.8330 -20.8330 -20.8181 -20.8181 0.4752 0.4752 0.4823 0.4823 6.4781 6.4781 6.7009 6.7009 7.0265 7.0265 7.4540 7.4540 8.7176 8.7176 8.8167 8.8167 12.2496 12.2496 12.2538 12.2538 12.9258 12.9258 13.0756 13.0756 13.7342 13.7342 13.7696 13.7696 k = 0.3333 0.5774 0.2880 ( 6618 PWs) bands (ev): -44.7622 -44.7622 -44.7613 -44.7613 -21.5295 -21.5295 -21.5282 -21.5282 -20.9195 -20.9195 -20.9178 -20.9178 -20.8293 -20.8293 -20.8218 -20.8218 0.4753 0.4753 0.4824 0.4824 6.4752 6.4752 6.6998 6.6998 7.0523 7.0523 7.4221 7.4221 8.7233 8.7233 8.8229 8.8229 12.2444 12.2444 12.2482 12.2482 12.9631 12.9631 13.0390 13.0390 13.7645 13.7645 13.7989 13.7989 k = 0.3333 0.5774 0.3000 ( 6600 PWs) bands (ev): -44.7618 -44.7618 -44.7618 -44.7618 -21.5290 -21.5290 -21.5286 -21.5286 -20.9189 -20.9189 -20.9185 -20.9185 -20.8256 -20.8256 -20.8255 -20.8255 0.4753 0.4753 0.4824 0.4824 6.4743 6.4743 6.6994 6.6994 7.0621 7.0621 7.4104 7.4104 8.7252 8.7252 8.8249 8.8249 12.2426 12.2426 12.2464 12.2464 12.9949 12.9949 13.0073 13.0073 13.7902 13.7902 13.7997 13.7997 Writing output data file TiTe.save init_run : 0.16s CPU 0.32s WALL ( 1 calls) electrons : 282.28s CPU 287.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.01s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 282.27s CPU 287.86s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.10s WALL ( 346 calls) cegterg : 270.30s CPU 273.47s WALL ( 779 calls) Called by sum_band: Called by *egterg: h_psi : 156.18s CPU 158.53s WALL ( 13980 calls) s_psi : 6.79s CPU 6.80s WALL ( 13980 calls) g_psi : 0.70s CPU 0.62s WALL ( 12855 calls) cdiaghg : 79.07s CPU 79.96s WALL ( 13201 calls) cegterg:over : 12.42s CPU 12.67s WALL ( 12855 calls) cegterg:upda : 12.45s CPU 12.68s WALL ( 12855 calls) cegterg:last : 5.95s CPU 5.96s WALL ( 2220 calls) cdiaghg:chol : 4.40s CPU 4.57s WALL ( 13201 calls) cdiaghg:inve : 2.99s CPU 2.71s WALL ( 13201 calls) cdiaghg:para : 4.43s CPU 4.56s WALL ( 26402 calls) Called by h_psi: h_psi:vloc : 135.03s CPU 137.18s WALL ( 13980 calls) h_psi:vnl : 20.59s CPU 20.78s WALL ( 13980 calls) add_vuspsi : 10.68s CPU 10.93s WALL ( 13980 calls) General routines calbec : 9.88s CPU 9.82s WALL ( 13980 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 128.39s CPU 130.30s WALL ( 1215032 calls) davcio : 0.25s CPU 0.29s WALL ( 692 calls) Parallel routines fft_scatter : 42.84s CPU 43.67s WALL ( 1215047 calls) PWSCF : 5m 0.70s CPU 5m20.66s WALL This run was terminated on: 21:23:24 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=