Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:49:36 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: ./MnSe.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 28 8 1218 1218 186 Max 29 29 9 1227 1227 193 Sum 1039 1039 301 44073 44073 6815 bravais-lattice index = 14 lattice parameter (alat) = 6.8597 a.u. unit-cell volume = 455.1220 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 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)= 6.859705 celldm(2)= 1.000000 celldm(3)= 1.628099 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 1.628099 ) 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 0.614213 ) PseudoPot. # 1 for Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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 PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mn 15.00 54.93800 Mn( 1.00) Se 6.00 78.96000 Se( 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 ) ( 0.8140496 ) 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 ) ( 0.8140496 ) 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 ) ( 0.8140496 ) 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 ) ( 0.8140496 ) 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 ) ( 0.8140496 ) 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 ) ( 0.8140496 ) 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 ) ( 0.8140496 ) 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 ) ( 0.8140496 ) 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 ) ( 0.8140496 ) 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 ) ( 0.8140496 ) 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 ) ( 0.8140496 ) 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 ) ( 0.8140496 ) 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= 364 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0100000 0.0057735 -0.0000000), wk = 0.0027473 k( 3) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0027473 k( 4) = ( 0.0300000 0.0173205 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0027473 k( 6) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0027473 k( 7) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0700000 0.0404145 -0.0000000), wk = 0.0027473 k( 9) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0027473 k( 10) = ( 0.0900000 0.0519615 -0.0000000), wk = 0.0027473 k( 11) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0027473 k( 12) = ( 0.1100000 0.0635085 -0.0000000), wk = 0.0027473 k( 13) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0027473 k( 14) = ( 0.1300000 0.0750555 -0.0000000), wk = 0.0027473 k( 15) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0027473 k( 16) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0027473 k( 17) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0027473 k( 18) = ( 0.1700000 0.0981495 -0.0000000), wk = 0.0027473 k( 19) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0027473 k( 20) = ( 0.1900000 0.1096966 -0.0000000), wk = 0.0027473 k( 21) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0027473 k( 22) = ( 0.2100000 0.1212436 -0.0000000), wk = 0.0027473 k( 23) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0027473 k( 24) = ( 0.2300000 0.1327906 -0.0000000), wk = 0.0027473 k( 25) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0027473 k( 26) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0027473 k( 27) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0027473 k( 28) = ( 0.2700000 0.1558846 -0.0000000), wk = 0.0027473 k( 29) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0027473 k( 30) = ( 0.2900000 0.1674316 -0.0000000), wk = 0.0027473 k( 31) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0027473 k( 32) = ( 0.3100000 0.1789786 -0.0000000), wk = 0.0027473 k( 33) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0027473 k( 34) = ( 0.3300000 0.1905256 -0.0000000), wk = 0.0027473 k( 35) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0027473 k( 36) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0027473 k( 37) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0027473 k( 38) = ( 0.3700000 0.2136196 -0.0000000), wk = 0.0027473 k( 39) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0027473 k( 40) = ( 0.3900000 0.2251666 -0.0000000), wk = 0.0027473 k( 41) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0027473 k( 42) = ( 0.4100000 0.2367136 -0.0000000), wk = 0.0027473 k( 43) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0027473 k( 44) = ( 0.4300000 0.2482606 -0.0000000), wk = 0.0027473 k( 45) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0027473 k( 46) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0027473 k( 47) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0027473 k( 48) = ( 0.4700000 0.2713546 -0.0000000), wk = 0.0027473 k( 49) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0027473 k( 50) = ( 0.4900000 0.2829016 -0.0000000), wk = 0.0027473 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 53) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0027473 k( 54) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0027473 k( 55) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0027473 k( 56) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0027473 k( 57) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0027473 k( 58) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0027473 k( 59) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0027473 k( 60) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0027473 k( 61) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0027473 k( 62) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0027473 k( 63) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0027473 k( 64) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0027473 k( 65) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0027473 k( 66) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0027473 k( 67) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0027473 k( 68) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0027473 k( 69) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0027473 k( 70) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0027473 k( 71) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0027473 k( 72) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0027473 k( 73) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0027473 k( 74) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0027473 k( 75) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0027473 k( 76) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0027473 k( 77) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0027473 k( 78) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0027473 k( 79) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0027473 k( 80) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0027473 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 83) = ( 0.3275862 0.5673960 -0.0000000), wk = 0.0027473 k( 84) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0027473 k( 85) = ( 0.3160920 0.5474873 -0.0000000), wk = 0.0027473 k( 86) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0027473 k( 87) = ( 0.3045977 0.5275787 -0.0000000), wk = 0.0027473 k( 88) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0027473 k( 89) = ( 0.2931034 0.5076701 -0.0000000), wk = 0.0027473 k( 90) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0027473 k( 91) = ( 0.2816092 0.4877614 -0.0000000), wk = 0.0027473 k( 92) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0027473 k( 93) = ( 0.2701149 0.4678528 -0.0000000), wk = 0.0027473 k( 94) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0027473 k( 95) = ( 0.2586207 0.4479442 -0.0000000), wk = 0.0027473 k( 96) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0027473 k( 97) = ( 0.2471264 0.4280355 -0.0000000), wk = 0.0027473 k( 98) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0027473 k( 99) = ( 0.2356322 0.4081269 -0.0000000), wk = 0.0027473 k( 100) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0027473 k( 101) = ( 0.2241379 0.3882183 -0.0000000), wk = 0.0027473 k( 102) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0027473 k( 103) = ( 0.2126437 0.3683097 -0.0000000), wk = 0.0027473 k( 104) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0027473 k( 105) = ( 0.2011494 0.3484010 -0.0000000), wk = 0.0027473 k( 106) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0027473 k( 107) = ( 0.1896552 0.3284924 -0.0000000), wk = 0.0027473 k( 108) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0027473 k( 109) = ( 0.1781609 0.3085838 -0.0000000), wk = 0.0027473 k( 110) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0027473 k( 111) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0027473 k( 112) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0027473 k( 113) = ( 0.1551724 0.2687665 -0.0000000), wk = 0.0027473 k( 114) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0027473 k( 115) = ( 0.1436782 0.2488579 -0.0000000), wk = 0.0027473 k( 116) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0027473 k( 117) = ( 0.1321839 0.2289492 -0.0000000), wk = 0.0027473 k( 118) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0027473 k( 119) = ( 0.1206897 0.2090406 -0.0000000), wk = 0.0027473 k( 120) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0027473 k( 121) = ( 0.1091954 0.1891320 -0.0000000), wk = 0.0027473 k( 122) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0027473 k( 123) = ( 0.0977012 0.1692234 -0.0000000), wk = 0.0027473 k( 124) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0027473 k( 125) = ( 0.0862069 0.1493147 -0.0000000), wk = 0.0027473 k( 126) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0027473 k( 127) = ( 0.0747126 0.1294061 -0.0000000), wk = 0.0027473 k( 128) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0027473 k( 129) = ( 0.0632184 0.1094975 -0.0000000), wk = 0.0027473 k( 130) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0027473 k( 131) = ( 0.0517241 0.0895888 -0.0000000), wk = 0.0027473 k( 132) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0027473 k( 133) = ( 0.0402299 0.0696802 -0.0000000), wk = 0.0027473 k( 134) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0287356 0.0497716 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0027473 k( 137) = ( 0.0172414 0.0298629 -0.0000000), wk = 0.0027473 k( 138) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0027473 k( 139) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0027473 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 142) = ( 0.0000000 0.0000000 0.0113743), wk = 0.0027473 k( 143) = ( 0.0000000 0.0000000 0.0227486), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0341230), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0454973), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0568716), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.0682459), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.0796202), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.0909945), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.1023689), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.1137432), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.1251175), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.1364918), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.1478661), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.1592405), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.1706148), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.1819891), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.1933634), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.2047377), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.2161120), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.2274864), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.2388607), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.2502350), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.2616093), wk = 0.0027473 k( 165) = ( 0.0000000 0.0000000 0.2729836), wk = 0.0027473 k( 166) = ( 0.0000000 0.0000000 0.2843580), wk = 0.0027473 k( 167) = ( 0.0000000 0.0000000 0.2957323), wk = 0.0027473 k( 168) = ( 0.0000000 0.0000000 0.3071066), wk = 0.0027473 k( 169) = ( 0.0000000 0.0000000 0.3071066), wk = 0.0027473 k( 170) = ( 0.0100000 0.0057735 0.3071066), wk = 0.0027473 k( 171) = ( 0.0200000 0.0115470 0.3071066), wk = 0.0027473 k( 172) = ( 0.0300000 0.0173205 0.3071066), wk = 0.0027473 k( 173) = ( 0.0400000 0.0230940 0.3071066), wk = 0.0027473 k( 174) = ( 0.0500000 0.0288675 0.3071066), wk = 0.0027473 k( 175) = ( 0.0600000 0.0346410 0.3071066), wk = 0.0027473 k( 176) = ( 0.0700000 0.0404145 0.3071066), wk = 0.0027473 k( 177) = ( 0.0800000 0.0461880 0.3071066), wk = 0.0027473 k( 178) = ( 0.0900000 0.0519615 0.3071066), wk = 0.0027473 k( 179) = ( 0.1000000 0.0577350 0.3071066), wk = 0.0027473 k( 180) = ( 0.1100000 0.0635085 0.3071066), wk = 0.0027473 k( 181) = ( 0.1200000 0.0692820 0.3071066), wk = 0.0027473 k( 182) = ( 0.1300000 0.0750555 0.3071066), wk = 0.0027473 k( 183) = ( 0.1400000 0.0808290 0.3071066), wk = 0.0027473 k( 184) = ( 0.1500000 0.0866025 0.3071066), wk = 0.0027473 k( 185) = ( 0.1600000 0.0923760 0.3071066), wk = 0.0027473 k( 186) = ( 0.1700000 0.0981495 0.3071066), wk = 0.0027473 k( 187) = ( 0.1800000 0.1039230 0.3071066), wk = 0.0027473 k( 188) = ( 0.1900000 0.1096966 0.3071066), wk = 0.0027473 k( 189) = ( 0.2000000 0.1154701 0.3071066), wk = 0.0027473 k( 190) = ( 0.2100000 0.1212436 0.3071066), wk = 0.0027473 k( 191) = ( 0.2200000 0.1270171 0.3071066), wk = 0.0027473 k( 192) = ( 0.2300000 0.1327906 0.3071066), wk = 0.0027473 k( 193) = ( 0.2400000 0.1385641 0.3071066), wk = 0.0027473 k( 194) = ( 0.2500000 0.1443376 0.3071066), wk = 0.0027473 k( 195) = ( 0.2600000 0.1501111 0.3071066), wk = 0.0027473 k( 196) = ( 0.2700000 0.1558846 0.3071066), wk = 0.0027473 k( 197) = ( 0.2800000 0.1616581 0.3071066), wk = 0.0027473 k( 198) = ( 0.2900000 0.1674316 0.3071066), wk = 0.0027473 k( 199) = ( 0.3000000 0.1732051 0.3071066), wk = 0.0027473 k( 200) = ( 0.3100000 0.1789786 0.3071066), wk = 0.0027473 k( 201) = ( 0.3200000 0.1847521 0.3071066), wk = 0.0027473 k( 202) = ( 0.3300000 0.1905256 0.3071066), wk = 0.0027473 k( 203) = ( 0.3400000 0.1962991 0.3071066), wk = 0.0027473 k( 204) = ( 0.3500000 0.2020726 0.3071066), wk = 0.0027473 k( 205) = ( 0.3600000 0.2078461 0.3071066), wk = 0.0027473 k( 206) = ( 0.3700000 0.2136196 0.3071066), wk = 0.0027473 k( 207) = ( 0.3800000 0.2193931 0.3071066), wk = 0.0027473 k( 208) = ( 0.3900000 0.2251666 0.3071066), wk = 0.0027473 k( 209) = ( 0.4000000 0.2309401 0.3071066), wk = 0.0027473 k( 210) = ( 0.4100000 0.2367136 0.3071066), wk = 0.0027473 k( 211) = ( 0.4200000 0.2424871 0.3071066), wk = 0.0027473 k( 212) = ( 0.4300000 0.2482606 0.3071066), wk = 0.0027473 k( 213) = ( 0.4400000 0.2540341 0.3071066), wk = 0.0027473 k( 214) = ( 0.4500000 0.2598076 0.3071066), wk = 0.0027473 k( 215) = ( 0.4600000 0.2655811 0.3071066), wk = 0.0027473 k( 216) = ( 0.4700000 0.2713546 0.3071066), wk = 0.0027473 k( 217) = ( 0.4800000 0.2771281 0.3071066), wk = 0.0027473 k( 218) = ( 0.4900000 0.2829016 0.3071066), wk = 0.0027473 k( 219) = ( 0.5000000 0.2886751 0.3071066), wk = 0.0027473 k( 220) = ( 0.5000000 0.2886751 0.3071066), wk = 0.0027473 k( 221) = ( 0.4942529 0.2986294 0.3071066), wk = 0.0027473 k( 222) = ( 0.4885058 0.3085838 0.3071066), wk = 0.0027473 k( 223) = ( 0.4827586 0.3185381 0.3071066), wk = 0.0027473 k( 224) = ( 0.4770115 0.3284924 0.3071066), wk = 0.0027473 k( 225) = ( 0.4712644 0.3384467 0.3071066), wk = 0.0027473 k( 226) = ( 0.4655172 0.3484010 0.3071066), wk = 0.0027473 k( 227) = ( 0.4597701 0.3583553 0.3071066), wk = 0.0027473 k( 228) = ( 0.4540230 0.3683097 0.3071066), wk = 0.0027473 k( 229) = ( 0.4482759 0.3782640 0.3071066), wk = 0.0027473 k( 230) = ( 0.4425287 0.3882183 0.3071066), wk = 0.0027473 k( 231) = ( 0.4367816 0.3981726 0.3071066), wk = 0.0027473 k( 232) = ( 0.4310345 0.4081269 0.3071066), wk = 0.0027473 k( 233) = ( 0.4252874 0.4180812 0.3071066), wk = 0.0027473 k( 234) = ( 0.4195402 0.4280355 0.3071066), wk = 0.0027473 k( 235) = ( 0.4137931 0.4379899 0.3071066), wk = 0.0027473 k( 236) = ( 0.4080460 0.4479442 0.3071066), wk = 0.0027473 k( 237) = ( 0.4022988 0.4578985 0.3071066), wk = 0.0027473 k( 238) = ( 0.3965517 0.4678528 0.3071066), wk = 0.0027473 k( 239) = ( 0.3908046 0.4778071 0.3071066), wk = 0.0027473 k( 240) = ( 0.3850575 0.4877614 0.3071066), wk = 0.0027473 k( 241) = ( 0.3793103 0.4977157 0.3071066), wk = 0.0027473 k( 242) = ( 0.3735632 0.5076701 0.3071066), wk = 0.0027473 k( 243) = ( 0.3678161 0.5176244 0.3071066), wk = 0.0027473 k( 244) = ( 0.3620690 0.5275787 0.3071066), wk = 0.0027473 k( 245) = ( 0.3563218 0.5375330 0.3071066), wk = 0.0027473 k( 246) = ( 0.3505747 0.5474873 0.3071066), wk = 0.0027473 k( 247) = ( 0.3448276 0.5574416 0.3071066), wk = 0.0027473 k( 248) = ( 0.3390805 0.5673960 0.3071066), wk = 0.0027473 k( 249) = ( 0.3333333 0.5773503 0.3071066), wk = 0.0027473 k( 250) = ( 0.3333333 0.5773503 0.3071066), wk = 0.0027473 k( 251) = ( 0.3275862 0.5673960 0.3071066), wk = 0.0027473 k( 252) = ( 0.3218391 0.5574416 0.3071066), wk = 0.0027473 k( 253) = ( 0.3160920 0.5474873 0.3071066), wk = 0.0027473 k( 254) = ( 0.3103448 0.5375330 0.3071066), wk = 0.0027473 k( 255) = ( 0.3045977 0.5275787 0.3071066), wk = 0.0027473 k( 256) = ( 0.2988506 0.5176244 0.3071066), wk = 0.0027473 k( 257) = ( 0.2931034 0.5076701 0.3071066), wk = 0.0027473 k( 258) = ( 0.2873563 0.4977157 0.3071066), wk = 0.0027473 k( 259) = ( 0.2816092 0.4877614 0.3071066), wk = 0.0027473 k( 260) = ( 0.2758621 0.4778071 0.3071066), wk = 0.0027473 k( 261) = ( 0.2701149 0.4678528 0.3071066), wk = 0.0027473 k( 262) = ( 0.2643678 0.4578985 0.3071066), wk = 0.0027473 k( 263) = ( 0.2586207 0.4479442 0.3071066), wk = 0.0027473 k( 264) = ( 0.2528736 0.4379899 0.3071066), wk = 0.0027473 k( 265) = ( 0.2471264 0.4280355 0.3071066), wk = 0.0027473 k( 266) = ( 0.2413793 0.4180812 0.3071066), wk = 0.0027473 k( 267) = ( 0.2356322 0.4081269 0.3071066), wk = 0.0027473 k( 268) = ( 0.2298851 0.3981726 0.3071066), wk = 0.0027473 k( 269) = ( 0.2241379 0.3882183 0.3071066), wk = 0.0027473 k( 270) = ( 0.2183908 0.3782640 0.3071066), wk = 0.0027473 k( 271) = ( 0.2126437 0.3683097 0.3071066), wk = 0.0027473 k( 272) = ( 0.2068966 0.3583553 0.3071066), wk = 0.0027473 k( 273) = ( 0.2011494 0.3484010 0.3071066), wk = 0.0027473 k( 274) = ( 0.1954023 0.3384467 0.3071066), wk = 0.0027473 k( 275) = ( 0.1896552 0.3284924 0.3071066), wk = 0.0027473 k( 276) = ( 0.1839080 0.3185381 0.3071066), wk = 0.0027473 k( 277) = ( 0.1781609 0.3085838 0.3071066), wk = 0.0027473 k( 278) = ( 0.1724138 0.2986294 0.3071066), wk = 0.0027473 k( 279) = ( 0.1666667 0.2886751 0.3071066), wk = 0.0027473 k( 280) = ( 0.1609195 0.2787208 0.3071066), wk = 0.0027473 k( 281) = ( 0.1551724 0.2687665 0.3071066), wk = 0.0027473 k( 282) = ( 0.1494253 0.2588122 0.3071066), wk = 0.0027473 k( 283) = ( 0.1436782 0.2488579 0.3071066), wk = 0.0027473 k( 284) = ( 0.1379310 0.2389036 0.3071066), wk = 0.0027473 k( 285) = ( 0.1321839 0.2289492 0.3071066), wk = 0.0027473 k( 286) = ( 0.1264368 0.2189949 0.3071066), wk = 0.0027473 k( 287) = ( 0.1206897 0.2090406 0.3071066), wk = 0.0027473 k( 288) = ( 0.1149425 0.1990863 0.3071066), wk = 0.0027473 k( 289) = ( 0.1091954 0.1891320 0.3071066), wk = 0.0027473 k( 290) = ( 0.1034483 0.1791777 0.3071066), wk = 0.0027473 k( 291) = ( 0.0977012 0.1692234 0.3071066), wk = 0.0027473 k( 292) = ( 0.0919540 0.1592690 0.3071066), wk = 0.0027473 k( 293) = ( 0.0862069 0.1493147 0.3071066), wk = 0.0027473 k( 294) = ( 0.0804598 0.1393604 0.3071066), wk = 0.0027473 k( 295) = ( 0.0747126 0.1294061 0.3071066), wk = 0.0027473 k( 296) = ( 0.0689655 0.1194518 0.3071066), wk = 0.0027473 k( 297) = ( 0.0632184 0.1094975 0.3071066), wk = 0.0027473 k( 298) = ( 0.0574713 0.0995431 0.3071066), wk = 0.0027473 k( 299) = ( 0.0517241 0.0895888 0.3071066), wk = 0.0027473 k( 300) = ( 0.0459770 0.0796345 0.3071066), wk = 0.0027473 k( 301) = ( 0.0402299 0.0696802 0.3071066), wk = 0.0027473 k( 302) = ( 0.0344828 0.0597259 0.3071066), wk = 0.0027473 k( 303) = ( 0.0287356 0.0497716 0.3071066), wk = 0.0027473 k( 304) = ( 0.0229885 0.0398173 0.3071066), wk = 0.0027473 k( 305) = ( 0.0172414 0.0298629 0.3071066), wk = 0.0027473 k( 306) = ( 0.0114942 0.0199086 0.3071066), wk = 0.0027473 k( 307) = ( 0.0057471 0.0099543 0.3071066), wk = 0.0027473 k( 308) = ( 0.0000000 0.0000000 0.3071066), wk = 0.0027473 k( 309) = ( 0.5000000 0.2886751 0.3071066), wk = 0.0027473 k( 310) = ( 0.5000000 0.2886751 0.2957323), wk = 0.0027473 k( 311) = ( 0.5000000 0.2886751 0.2843580), wk = 0.0027473 k( 312) = ( 0.5000000 0.2886751 0.2729836), wk = 0.0027473 k( 313) = ( 0.5000000 0.2886751 0.2616093), wk = 0.0027473 k( 314) = ( 0.5000000 0.2886751 0.2502350), wk = 0.0027473 k( 315) = ( 0.5000000 0.2886751 0.2388607), wk = 0.0027473 k( 316) = ( 0.5000000 0.2886751 0.2274864), wk = 0.0027473 k( 317) = ( 0.5000000 0.2886751 0.2161120), wk = 0.0027473 k( 318) = ( 0.5000000 0.2886751 0.2047377), wk = 0.0027473 k( 319) = ( 0.5000000 0.2886751 0.1933634), wk = 0.0027473 k( 320) = ( 0.5000000 0.2886751 0.1819891), wk = 0.0027473 k( 321) = ( 0.5000000 0.2886751 0.1706148), wk = 0.0027473 k( 322) = ( 0.5000000 0.2886751 0.1592405), wk = 0.0027473 k( 323) = ( 0.5000000 0.2886751 0.1478661), wk = 0.0027473 k( 324) = ( 0.5000000 0.2886751 0.1364918), wk = 0.0027473 k( 325) = ( 0.5000000 0.2886751 0.1251175), wk = 0.0027473 k( 326) = ( 0.5000000 0.2886751 0.1137432), wk = 0.0027473 k( 327) = ( 0.5000000 0.2886751 0.1023689), wk = 0.0027473 k( 328) = ( 0.5000000 0.2886751 0.0909945), wk = 0.0027473 k( 329) = ( 0.5000000 0.2886751 0.0796202), wk = 0.0027473 k( 330) = ( 0.5000000 0.2886751 0.0682459), wk = 0.0027473 k( 331) = ( 0.5000000 0.2886751 0.0568716), wk = 0.0027473 k( 332) = ( 0.5000000 0.2886751 0.0454973), wk = 0.0027473 k( 333) = ( 0.5000000 0.2886751 0.0341230), wk = 0.0027473 k( 334) = ( 0.5000000 0.2886751 0.0227486), wk = 0.0027473 k( 335) = ( 0.5000000 0.2886751 0.0113743), wk = 0.0027473 k( 336) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 337) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 338) = ( 0.3333333 0.5773503 0.0113743), wk = 0.0027473 k( 339) = ( 0.3333333 0.5773503 0.0227486), wk = 0.0027473 k( 340) = ( 0.3333333 0.5773503 0.0341230), wk = 0.0027473 k( 341) = ( 0.3333333 0.5773503 0.0454973), wk = 0.0027473 k( 342) = ( 0.3333333 0.5773503 0.0568716), wk = 0.0027473 k( 343) = ( 0.3333333 0.5773503 0.0682459), wk = 0.0027473 k( 344) = ( 0.3333333 0.5773503 0.0796202), wk = 0.0027473 k( 345) = ( 0.3333333 0.5773503 0.0909945), wk = 0.0027473 k( 346) = ( 0.3333333 0.5773503 0.1023689), wk = 0.0027473 k( 347) = ( 0.3333333 0.5773503 0.1137432), wk = 0.0027473 k( 348) = ( 0.3333333 0.5773503 0.1251175), wk = 0.0027473 k( 349) = ( 0.3333333 0.5773503 0.1364918), wk = 0.0027473 k( 350) = ( 0.3333333 0.5773503 0.1478661), wk = 0.0027473 k( 351) = ( 0.3333333 0.5773503 0.1592405), wk = 0.0027473 k( 352) = ( 0.3333333 0.5773503 0.1706148), wk = 0.0027473 k( 353) = ( 0.3333333 0.5773503 0.1819891), wk = 0.0027473 k( 354) = ( 0.3333333 0.5773503 0.1933634), wk = 0.0027473 k( 355) = ( 0.3333333 0.5773503 0.2047377), wk = 0.0027473 k( 356) = ( 0.3333333 0.5773503 0.2161120), wk = 0.0027473 k( 357) = ( 0.3333333 0.5773503 0.2274864), wk = 0.0027473 k( 358) = ( 0.3333333 0.5773503 0.2388607), wk = 0.0027473 k( 359) = ( 0.3333333 0.5773503 0.2502350), wk = 0.0027473 k( 360) = ( 0.3333333 0.5773503 0.2616093), wk = 0.0027473 k( 361) = ( 0.3333333 0.5773503 0.2729836), wk = 0.0027473 k( 362) = ( 0.3333333 0.5773503 0.2843580), wk = 0.0027473 k( 363) = ( 0.3333333 0.5773503 0.2957323), wk = 0.0027473 k( 364) = ( 0.3333333 0.5773503 0.3071066), wk = 0.0027473 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0100000 0.0000000 0.0000000), wk = 0.0027473 k( 3) = ( 0.0200000 0.0000000 0.0000000), wk = 0.0027473 k( 4) = ( 0.0300000 0.0000000 0.0000000), wk = 0.0027473 k( 5) = ( 0.0400000 0.0000000 0.0000000), wk = 0.0027473 k( 6) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0027473 k( 7) = ( 0.0600000 0.0000000 0.0000000), wk = 0.0027473 k( 8) = ( 0.0700000 0.0000000 0.0000000), wk = 0.0027473 k( 9) = ( 0.0800000 0.0000000 0.0000000), wk = 0.0027473 k( 10) = ( 0.0900000 0.0000000 0.0000000), wk = 0.0027473 k( 11) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0027473 k( 12) = ( 0.1100000 0.0000000 0.0000000), wk = 0.0027473 k( 13) = ( 0.1200000 0.0000000 0.0000000), wk = 0.0027473 k( 14) = ( 0.1300000 -0.0000000 0.0000000), wk = 0.0027473 k( 15) = ( 0.1400000 0.0000000 0.0000000), wk = 0.0027473 k( 16) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0027473 k( 17) = ( 0.1600000 0.0000000 0.0000000), wk = 0.0027473 k( 18) = ( 0.1700000 0.0000000 0.0000000), wk = 0.0027473 k( 19) = ( 0.1800000 0.0000000 0.0000000), wk = 0.0027473 k( 20) = ( 0.1900000 0.0000000 0.0000000), wk = 0.0027473 k( 21) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0027473 k( 22) = ( 0.2100000 0.0000000 0.0000000), wk = 0.0027473 k( 23) = ( 0.2200000 0.0000000 0.0000000), wk = 0.0027473 k( 24) = ( 0.2300000 0.0000000 0.0000000), wk = 0.0027473 k( 25) = ( 0.2400000 0.0000000 0.0000000), wk = 0.0027473 k( 26) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0027473 k( 27) = ( 0.2600000 -0.0000000 0.0000000), wk = 0.0027473 k( 28) = ( 0.2700000 0.0000000 0.0000000), wk = 0.0027473 k( 29) = ( 0.2800000 0.0000000 0.0000000), wk = 0.0027473 k( 30) = ( 0.2900000 0.0000000 0.0000000), wk = 0.0027473 k( 31) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0027473 k( 32) = ( 0.3100000 -0.0000000 0.0000000), wk = 0.0027473 k( 33) = ( 0.3200000 0.0000000 0.0000000), wk = 0.0027473 k( 34) = ( 0.3300000 -0.0000000 0.0000000), wk = 0.0027473 k( 35) = ( 0.3400000 0.0000000 0.0000000), wk = 0.0027473 k( 36) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0027473 k( 37) = ( 0.3600000 0.0000000 0.0000000), wk = 0.0027473 k( 38) = ( 0.3700000 0.0000000 0.0000000), wk = 0.0027473 k( 39) = ( 0.3800000 0.0000000 0.0000000), wk = 0.0027473 k( 40) = ( 0.3900000 0.0000000 0.0000000), wk = 0.0027473 k( 41) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0027473 k( 42) = ( 0.4100000 0.0000000 0.0000000), wk = 0.0027473 k( 43) = ( 0.4200000 0.0000000 0.0000000), wk = 0.0027473 k( 44) = ( 0.4300000 0.0000000 0.0000000), wk = 0.0027473 k( 45) = ( 0.4400000 0.0000000 0.0000000), wk = 0.0027473 k( 46) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0027473 k( 47) = ( 0.4600000 0.0000000 0.0000000), wk = 0.0027473 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0027473 k( 49) = ( 0.4800000 0.0000000 0.0000000), wk = 0.0027473 k( 50) = ( 0.4900000 0.0000000 0.0000000), wk = 0.0027473 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027473 k( 53) = ( 0.4942529 0.0114943 0.0000000), wk = 0.0027473 k( 54) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0027473 k( 55) = ( 0.4827586 0.0344828 0.0000000), wk = 0.0027473 k( 56) = ( 0.4770115 0.0459770 0.0000000), wk = 0.0027473 k( 57) = ( 0.4712644 0.0574713 0.0000000), wk = 0.0027473 k( 58) = ( 0.4655172 0.0689655 0.0000000), wk = 0.0027473 k( 59) = ( 0.4597701 0.0804598 0.0000000), wk = 0.0027473 k( 60) = ( 0.4540230 0.0919540 0.0000000), wk = 0.0027473 k( 61) = ( 0.4482759 0.1034483 0.0000000), wk = 0.0027473 k( 62) = ( 0.4425287 0.1149425 0.0000000), wk = 0.0027473 k( 63) = ( 0.4367816 0.1264368 0.0000000), wk = 0.0027473 k( 64) = ( 0.4310345 0.1379310 0.0000000), wk = 0.0027473 k( 65) = ( 0.4252874 0.1494253 0.0000000), wk = 0.0027473 k( 66) = ( 0.4195402 0.1609195 0.0000000), wk = 0.0027473 k( 67) = ( 0.4137931 0.1724138 0.0000000), wk = 0.0027473 k( 68) = ( 0.4080460 0.1839080 -0.0000000), wk = 0.0027473 k( 69) = ( 0.4022988 0.1954023 0.0000000), wk = 0.0027473 k( 70) = ( 0.3965517 0.2068965 0.0000000), wk = 0.0027473 k( 71) = ( 0.3908046 0.2183908 0.0000000), wk = 0.0027473 k( 72) = ( 0.3850575 0.2298851 0.0000000), wk = 0.0027473 k( 73) = ( 0.3793103 0.2413793 0.0000000), wk = 0.0027473 k( 74) = ( 0.3735632 0.2528736 0.0000000), wk = 0.0027473 k( 75) = ( 0.3678161 0.2643678 -0.0000000), wk = 0.0027473 k( 76) = ( 0.3620690 0.2758621 -0.0000000), wk = 0.0027473 k( 77) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0027473 k( 78) = ( 0.3505747 0.2988506 -0.0000000), wk = 0.0027473 k( 79) = ( 0.3448276 0.3103448 -0.0000000), wk = 0.0027473 k( 80) = ( 0.3390805 0.3218391 0.0000000), wk = 0.0027473 k( 81) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027473 k( 82) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027473 k( 83) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0027473 k( 84) = ( 0.3218391 0.3218391 0.0000000), wk = 0.0027473 k( 85) = ( 0.3160920 0.3160920 0.0000000), wk = 0.0027473 k( 86) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0027473 k( 87) = ( 0.3045977 0.3045977 0.0000000), wk = 0.0027473 k( 88) = ( 0.2988506 0.2988506 0.0000000), wk = 0.0027473 k( 89) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0027473 k( 90) = ( 0.2873563 0.2873563 0.0000000), wk = 0.0027473 k( 91) = ( 0.2816092 0.2816092 -0.0000000), wk = 0.0027473 k( 92) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0027473 k( 93) = ( 0.2701149 0.2701149 0.0000000), wk = 0.0027473 k( 94) = ( 0.2643678 0.2643678 0.0000000), wk = 0.0027473 k( 95) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0027473 k( 96) = ( 0.2528736 0.2528736 0.0000000), wk = 0.0027473 k( 97) = ( 0.2471264 0.2471264 -0.0000000), wk = 0.0027473 k( 98) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0027473 k( 99) = ( 0.2356322 0.2356322 0.0000000), wk = 0.0027473 k( 100) = ( 0.2298851 0.2298851 -0.0000000), wk = 0.0027473 k( 101) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0027473 k( 102) = ( 0.2183908 0.2183908 0.0000000), wk = 0.0027473 k( 103) = ( 0.2126437 0.2126437 0.0000000), wk = 0.0027473 k( 104) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0027473 k( 105) = ( 0.2011494 0.2011494 0.0000000), wk = 0.0027473 k( 106) = ( 0.1954023 0.1954023 -0.0000000), wk = 0.0027473 k( 107) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0027473 k( 108) = ( 0.1839080 0.1839080 -0.0000000), wk = 0.0027473 k( 109) = ( 0.1781609 0.1781609 0.0000000), wk = 0.0027473 k( 110) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0027473 k( 111) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027473 k( 112) = ( 0.1609195 0.1609195 0.0000000), wk = 0.0027473 k( 113) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0027473 k( 114) = ( 0.1494253 0.1494253 0.0000000), wk = 0.0027473 k( 115) = ( 0.1436782 0.1436782 0.0000000), wk = 0.0027473 k( 116) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0027473 k( 117) = ( 0.1321839 0.1321839 0.0000000), wk = 0.0027473 k( 118) = ( 0.1264368 0.1264368 0.0000000), wk = 0.0027473 k( 119) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0027473 k( 120) = ( 0.1149425 0.1149425 -0.0000000), wk = 0.0027473 k( 121) = ( 0.1091954 0.1091954 0.0000000), wk = 0.0027473 k( 122) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0027473 k( 123) = ( 0.0977012 0.0977011 -0.0000000), wk = 0.0027473 k( 124) = ( 0.0919540 0.0919540 0.0000000), wk = 0.0027473 k( 125) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0027473 k( 126) = ( 0.0804598 0.0804598 0.0000000), wk = 0.0027473 k( 127) = ( 0.0747126 0.0747126 0.0000000), wk = 0.0027473 k( 128) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0027473 k( 129) = ( 0.0632184 0.0632184 0.0000000), wk = 0.0027473 k( 130) = ( 0.0574713 0.0574713 -0.0000000), wk = 0.0027473 k( 131) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0027473 k( 132) = ( 0.0459770 0.0459770 0.0000000), wk = 0.0027473 k( 133) = ( 0.0402299 0.0402299 0.0000000), wk = 0.0027473 k( 134) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0287356 0.0287356 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0229885 0.0229885 0.0000000), wk = 0.0027473 k( 137) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0027473 k( 138) = ( 0.0114942 0.0114943 -0.0000000), wk = 0.0027473 k( 139) = ( 0.0057471 0.0057471 0.0000000), wk = 0.0027473 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 142) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0027473 k( 143) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.3518518), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0027473 k( 165) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027473 k( 166) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0027473 k( 167) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0027473 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 170) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0027473 k( 171) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0027473 k( 172) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0027473 k( 173) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0027473 k( 174) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0027473 k( 175) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0027473 k( 176) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0027473 k( 177) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0027473 k( 178) = ( 0.0900000 0.0000000 0.5000000), wk = 0.0027473 k( 179) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0027473 k( 180) = ( 0.1100000 0.0000000 0.5000000), wk = 0.0027473 k( 181) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0027473 k( 182) = ( 0.1300000 -0.0000000 0.5000000), wk = 0.0027473 k( 183) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0027473 k( 184) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0027473 k( 185) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0027473 k( 186) = ( 0.1700000 0.0000000 0.5000000), wk = 0.0027473 k( 187) = ( 0.1800000 0.0000000 0.5000000), wk = 0.0027473 k( 188) = ( 0.1900000 0.0000000 0.5000000), wk = 0.0027473 k( 189) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0027473 k( 190) = ( 0.2100000 0.0000000 0.5000000), wk = 0.0027473 k( 191) = ( 0.2200000 0.0000000 0.5000000), wk = 0.0027473 k( 192) = ( 0.2300000 0.0000000 0.5000000), wk = 0.0027473 k( 193) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0027473 k( 194) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0027473 k( 195) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0027473 k( 196) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0027473 k( 197) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0027473 k( 198) = ( 0.2900000 0.0000000 0.5000000), wk = 0.0027473 k( 199) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0027473 k( 200) = ( 0.3100000 -0.0000000 0.5000000), wk = 0.0027473 k( 201) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0027473 k( 202) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0027473 k( 203) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0027473 k( 204) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0027473 k( 205) = ( 0.3600000 0.0000000 0.5000000), wk = 0.0027473 k( 206) = ( 0.3700000 0.0000000 0.5000000), wk = 0.0027473 k( 207) = ( 0.3800000 0.0000000 0.5000000), wk = 0.0027473 k( 208) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0027473 k( 209) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0027473 k( 210) = ( 0.4100000 0.0000000 0.5000000), wk = 0.0027473 k( 211) = ( 0.4200000 0.0000000 0.5000000), wk = 0.0027473 k( 212) = ( 0.4300000 0.0000000 0.5000000), wk = 0.0027473 k( 213) = ( 0.4400000 0.0000000 0.5000000), wk = 0.0027473 k( 214) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0027473 k( 215) = ( 0.4600000 0.0000000 0.5000000), wk = 0.0027473 k( 216) = ( 0.4700000 -0.0000000 0.5000000), wk = 0.0027473 k( 217) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0027473 k( 218) = ( 0.4900000 0.0000000 0.5000000), wk = 0.0027473 k( 219) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 220) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 221) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0027473 k( 222) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0027473 k( 223) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0027473 k( 224) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0027473 k( 225) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0027473 k( 226) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0027473 k( 227) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0027473 k( 228) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0027473 k( 229) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0027473 k( 230) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0027473 k( 231) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0027473 k( 232) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0027473 k( 233) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0027473 k( 234) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0027473 k( 235) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0027473 k( 236) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0027473 k( 237) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0027473 k( 238) = ( 0.3965517 0.2068965 0.5000000), wk = 0.0027473 k( 239) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0027473 k( 240) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0027473 k( 241) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0027473 k( 242) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0027473 k( 243) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0027473 k( 244) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0027473 k( 245) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0027473 k( 246) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0027473 k( 247) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0027473 k( 248) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0027473 k( 249) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 k( 250) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 k( 251) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0027473 k( 252) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0027473 k( 253) = ( 0.3160920 0.3160920 0.5000000), wk = 0.0027473 k( 254) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0027473 k( 255) = ( 0.3045977 0.3045977 0.5000000), wk = 0.0027473 k( 256) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0027473 k( 257) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0027473 k( 258) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0027473 k( 259) = ( 0.2816092 0.2816092 0.5000000), wk = 0.0027473 k( 260) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0027473 k( 261) = ( 0.2701149 0.2701149 0.5000000), wk = 0.0027473 k( 262) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0027473 k( 263) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0027473 k( 264) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0027473 k( 265) = ( 0.2471264 0.2471264 0.5000000), wk = 0.0027473 k( 266) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0027473 k( 267) = ( 0.2356322 0.2356322 0.5000000), wk = 0.0027473 k( 268) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0027473 k( 269) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0027473 k( 270) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0027473 k( 271) = ( 0.2126437 0.2126437 0.5000000), wk = 0.0027473 k( 272) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0027473 k( 273) = ( 0.2011494 0.2011494 0.5000000), wk = 0.0027473 k( 274) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0027473 k( 275) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0027473 k( 276) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0027473 k( 277) = ( 0.1781609 0.1781609 0.5000000), wk = 0.0027473 k( 278) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0027473 k( 279) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027473 k( 280) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0027473 k( 281) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0027473 k( 282) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0027473 k( 283) = ( 0.1436782 0.1436782 0.5000000), wk = 0.0027473 k( 284) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0027473 k( 285) = ( 0.1321839 0.1321839 0.5000000), wk = 0.0027473 k( 286) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0027473 k( 287) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0027473 k( 288) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0027473 k( 289) = ( 0.1091954 0.1091954 0.5000000), wk = 0.0027473 k( 290) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0027473 k( 291) = ( 0.0977012 0.0977011 0.5000000), wk = 0.0027473 k( 292) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0027473 k( 293) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0027473 k( 294) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0027473 k( 295) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0027473 k( 296) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0027473 k( 297) = ( 0.0632184 0.0632184 0.5000000), wk = 0.0027473 k( 298) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0027473 k( 299) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0027473 k( 300) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0027473 k( 301) = ( 0.0402299 0.0402299 0.5000000), wk = 0.0027473 k( 302) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0027473 k( 303) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0027473 k( 304) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0027473 k( 305) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0027473 k( 306) = ( 0.0114942 0.0114943 0.5000000), wk = 0.0027473 k( 307) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0027473 k( 308) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 309) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 310) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0027473 k( 311) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0027473 k( 312) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0027473 k( 313) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0027473 k( 314) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0027473 k( 315) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0027473 k( 316) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0027473 k( 317) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0027473 k( 318) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0027473 k( 319) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0027473 k( 320) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0027473 k( 321) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0027473 k( 322) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0027473 k( 323) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0027473 k( 324) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0027473 k( 325) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0027473 k( 326) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0027473 k( 327) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0027473 k( 328) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0027473 k( 329) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0027473 k( 330) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0027473 k( 331) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0027473 k( 332) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0027473 k( 333) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0027473 k( 334) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0027473 k( 335) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0027473 k( 336) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027473 k( 337) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027473 k( 338) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0027473 k( 339) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0027473 k( 340) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0027473 k( 341) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0027473 k( 342) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0027473 k( 343) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0027473 k( 344) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0027473 k( 345) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0027473 k( 346) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0027473 k( 347) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0027473 k( 348) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0027473 k( 349) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0027473 k( 350) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0027473 k( 351) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0027473 k( 352) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0027473 k( 353) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0027473 k( 354) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0027473 k( 355) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027473 k( 356) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0027473 k( 357) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0027473 k( 358) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0027473 k( 359) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0027473 k( 360) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0027473 k( 361) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0027473 k( 362) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0027473 k( 363) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0027473 k( 364) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 Dense grid: 44073 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 316, 50) NL pseudopotentials 0.23 Mb ( 158, 96) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1227) G-vector shells 0.00 Mb ( 519) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 316, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.15 Mb ( 96, 2, 50) The potential is recalculated from file : ./MnSe.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.8 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.9 secs Computing kpt #: 11 total cpu time spent up to now is 5.2 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 5.9 secs Computing kpt #: 14 total cpu time spent up to now is 6.3 secs Computing kpt #: 15 total cpu time spent up to now is 6.6 secs Computing kpt #: 16 total cpu time spent up to now is 6.9 secs Computing kpt #: 17 total cpu time spent up to now is 7.2 secs Computing kpt #: 18 total cpu time spent up to now is 7.6 secs Computing kpt #: 19 total cpu time spent up to now is 7.9 secs Computing kpt #: 20 total cpu time spent up to now is 8.2 secs Computing kpt #: 21 total cpu time spent up to now is 8.5 secs Computing kpt #: 22 total cpu time spent up to now is 8.8 secs Computing kpt #: 23 total cpu time spent up to now is 9.1 secs Computing kpt #: 24 total cpu time spent up to now is 9.4 secs Computing kpt #: 25 total cpu time spent up to now is 9.7 secs Computing kpt #: 26 total cpu time spent up to now is 10.0 secs Computing kpt #: 27 total cpu time spent up to now is 10.3 secs Computing kpt #: 28 total cpu time spent up to now is 10.5 secs Computing kpt #: 29 total cpu time spent up to now is 10.8 secs Computing kpt #: 30 total cpu time spent up to now is 11.1 secs Computing kpt #: 31 total cpu time spent up to now is 11.4 secs Computing kpt #: 32 total cpu time spent up to now is 11.7 secs Computing kpt #: 33 total cpu time spent up to now is 12.0 secs Computing kpt #: 34 total cpu time spent up to now is 12.4 secs Computing kpt #: 35 total cpu time spent up to now is 12.7 secs Computing kpt #: 36 total cpu time spent up to now is 13.0 secs Computing kpt #: 37 total cpu time spent up to now is 13.3 secs Computing kpt #: 38 total cpu time spent up to now is 13.6 secs Computing kpt #: 39 total cpu time spent up to now is 13.9 secs Computing kpt #: 40 total cpu time spent up to now is 14.2 secs Computing kpt #: 41 total cpu time spent up to now is 14.5 secs Computing kpt #: 42 total cpu time spent up to now is 14.9 secs Computing kpt #: 43 total cpu time spent up to now is 15.2 secs Computing kpt #: 44 total cpu time spent up to now is 15.5 secs Computing kpt #: 45 total cpu time spent up to now is 15.8 secs Computing kpt #: 46 total cpu time spent up to now is 16.1 secs Computing kpt #: 47 total cpu time spent up to now is 16.4 secs Computing kpt #: 48 total cpu time spent up to now is 16.7 secs Computing kpt #: 49 total cpu time spent up to now is 17.0 secs Computing kpt #: 50 total cpu time spent up to now is 17.4 secs Computing kpt #: 51 total cpu time spent up to now is 17.7 secs Computing kpt #: 52 total cpu time spent up to now is 18.0 secs Computing kpt #: 53 total cpu time spent up to now is 18.3 secs Computing kpt #: 54 total cpu time spent up to now is 18.6 secs Computing kpt #: 55 total cpu time spent up to now is 18.9 secs Computing kpt #: 56 total cpu time spent up to now is 19.3 secs Computing kpt #: 57 total cpu time spent up to now is 19.6 secs Computing kpt #: 58 total cpu time spent up to now is 19.9 secs Computing kpt #: 59 total cpu time spent up to now is 20.3 secs Computing kpt #: 60 total cpu time spent up to now is 20.6 secs Computing kpt #: 61 total cpu time spent up to now is 21.0 secs Computing kpt #: 62 total cpu time spent up to now is 21.4 secs Computing kpt #: 63 total cpu time spent up to now is 21.7 secs Computing kpt #: 64 total cpu time spent up to now is 22.1 secs Computing kpt #: 65 total cpu time spent up to now is 22.5 secs Computing kpt #: 66 total cpu time spent up to now is 22.9 secs Computing kpt #: 67 total cpu time spent up to now is 23.4 secs Computing kpt #: 68 total cpu time spent up to now is 23.8 secs Computing kpt #: 69 total cpu time spent up to now is 24.2 secs Computing kpt #: 70 total cpu time spent up to now is 24.6 secs Computing kpt #: 71 total cpu time spent up to now is 25.0 secs Computing kpt #: 72 total cpu time spent up to now is 25.4 secs Computing kpt #: 73 total cpu time spent up to now is 25.8 secs Computing kpt #: 74 total cpu time spent up to now is 26.2 secs Computing kpt #: 75 total cpu time spent up to now is 26.6 secs Computing kpt #: 76 total cpu time spent up to now is 27.0 secs Computing kpt #: 77 total cpu time spent up to now is 27.4 secs Computing kpt #: 78 total cpu time spent up to now is 27.8 secs Computing kpt #: 79 total cpu time spent up to now is 28.3 secs Computing kpt #: 80 total cpu time spent up to now is 28.9 secs Computing kpt #: 81 total cpu time spent up to now is 29.3 secs Computing kpt #: 82 total cpu time spent up to now is 29.8 secs Computing kpt #: 83 total cpu time spent up to now is 30.2 secs Computing kpt #: 84 total cpu time spent up to now is 30.6 secs Computing kpt #: 85 total cpu time spent up to now is 31.0 secs Computing kpt #: 86 total cpu time spent up to now is 31.5 secs Computing kpt #: 87 total cpu time spent up to now is 31.9 secs Computing kpt #: 88 total cpu time spent up to now is 32.3 secs Computing kpt #: 89 total cpu time spent up to now is 32.7 secs Computing kpt #: 90 total cpu time spent up to now is 33.2 secs Computing kpt #: 91 total cpu time spent up to now is 33.5 secs Computing kpt #: 92 total cpu time spent up to now is 33.9 secs Computing kpt #: 93 total cpu time spent up to now is 34.3 secs Computing kpt #: 94 total cpu time spent up to now is 34.7 secs Computing kpt #: 95 total cpu time spent up to now is 35.0 secs Computing kpt #: 96 total cpu time spent up to now is 35.4 secs Computing kpt #: 97 total cpu time spent up to now is 35.7 secs Computing kpt #: 98 total cpu time spent up to now is 36.1 secs Computing kpt #: 99 total cpu time spent up to now is 36.4 secs Computing kpt #: 100 total cpu time spent up to now is 36.8 secs Computing kpt #: 101 total cpu time spent up to now is 37.1 secs Computing kpt #: 102 total cpu time spent up to now is 37.5 secs Computing kpt #: 103 total cpu time spent up to now is 37.8 secs Computing kpt #: 104 total cpu time spent up to now is 38.2 secs Computing kpt #: 105 total cpu time spent up to now is 38.5 secs Computing kpt #: 106 total cpu time spent up to now is 38.8 secs Computing kpt #: 107 total cpu time spent up to now is 39.2 secs Computing kpt #: 108 total cpu time spent up to now is 39.6 secs Computing kpt #: 109 total cpu time spent up to now is 40.0 secs Computing kpt #: 110 total cpu time spent up to now is 40.4 secs Computing kpt #: 111 total cpu time spent up to now is 40.8 secs Computing kpt #: 112 total cpu time spent up to now is 41.2 secs Computing kpt #: 113 total cpu time spent up to now is 41.6 secs Computing kpt #: 114 total cpu time spent up to now is 41.9 secs Computing kpt #: 115 total cpu time spent up to now is 42.3 secs Computing kpt #: 116 total cpu time spent up to now is 42.7 secs Computing kpt #: 117 total cpu time spent up to now is 43.0 secs Computing kpt #: 118 total cpu time spent up to now is 43.4 secs Computing kpt #: 119 total cpu time spent up to now is 43.7 secs Computing kpt #: 120 total cpu time spent up to now is 44.1 secs Computing kpt #: 121 total cpu time spent up to now is 44.4 secs Computing kpt #: 122 total cpu time spent up to now is 44.8 secs Computing kpt #: 123 total cpu time spent up to now is 45.1 secs Computing kpt #: 124 total cpu time spent up to now is 45.5 secs Computing kpt #: 125 total cpu time spent up to now is 45.8 secs Computing kpt #: 126 total cpu time spent up to now is 46.1 secs Computing kpt #: 127 total cpu time spent up to now is 46.5 secs Computing kpt #: 128 total cpu time spent up to now is 46.9 secs Computing kpt #: 129 total cpu time spent up to now is 47.2 secs Computing kpt #: 130 total cpu time spent up to now is 47.6 secs Computing kpt #: 131 total cpu time spent up to now is 47.9 secs Computing kpt #: 132 total cpu time spent up to now is 48.3 secs Computing kpt #: 133 total cpu time spent up to now is 48.7 secs Computing kpt #: 134 total cpu time spent up to now is 49.1 secs Computing kpt #: 135 total cpu time spent up to now is 49.6 secs Computing kpt #: 136 total cpu time spent up to now is 50.0 secs Computing kpt #: 137 total cpu time spent up to now is 50.4 secs Computing kpt #: 138 total cpu time spent up to now is 50.8 secs Computing kpt #: 139 total cpu time spent up to now is 51.2 secs Computing kpt #: 140 total cpu time spent up to now is 51.7 secs Computing kpt #: 141 total cpu time spent up to now is 52.0 secs Computing kpt #: 142 total cpu time spent up to now is 52.4 secs Computing kpt #: 143 total cpu time spent up to now is 52.8 secs Computing kpt #: 144 total cpu time spent up to now is 53.2 secs Computing kpt #: 145 total cpu time spent up to now is 53.5 secs Computing kpt #: 146 total cpu time spent up to now is 53.9 secs Computing kpt #: 147 total cpu time spent up to now is 54.2 secs Computing kpt #: 148 total cpu time spent up to now is 54.6 secs Computing kpt #: 149 total cpu time spent up to now is 55.0 secs Computing kpt #: 150 total cpu time spent up to now is 55.4 secs Computing kpt #: 151 total cpu time spent up to now is 55.8 secs Computing kpt #: 152 total cpu time spent up to now is 56.2 secs Computing kpt #: 153 total cpu time spent up to now is 56.6 secs Computing kpt #: 154 total cpu time spent up to now is 57.0 secs Computing kpt #: 155 total cpu time spent up to now is 57.3 secs Computing kpt #: 156 total cpu time spent up to now is 57.7 secs Computing kpt #: 157 total cpu time spent up to now is 58.0 secs Computing kpt #: 158 total cpu time spent up to now is 58.4 secs Computing kpt #: 159 total cpu time spent up to now is 58.7 secs Computing kpt #: 160 total cpu time spent up to now is 59.1 secs Computing kpt #: 161 total cpu time spent up to now is 59.4 secs Computing kpt #: 162 total cpu time spent up to now is 59.8 secs Computing kpt #: 163 total cpu time spent up to now is 60.2 secs Computing kpt #: 164 total cpu time spent up to now is 60.6 secs Computing kpt #: 165 total cpu time spent up to now is 60.9 secs Computing kpt #: 166 total cpu time spent up to now is 61.3 secs Computing kpt #: 167 total cpu time spent up to now is 61.6 secs Computing kpt #: 168 total cpu time spent up to now is 62.0 secs Computing kpt #: 169 total cpu time spent up to now is 62.3 secs Computing kpt #: 170 total cpu time spent up to now is 62.7 secs Computing kpt #: 171 total cpu time spent up to now is 63.0 secs Computing kpt #: 172 total cpu time spent up to now is 63.4 secs Computing kpt #: 173 total cpu time spent up to now is 63.7 secs Computing kpt #: 174 total cpu time spent up to now is 64.1 secs Computing kpt #: 175 total cpu time spent up to now is 64.4 secs Computing kpt #: 176 total cpu time spent up to now is 64.8 secs Computing kpt #: 177 total cpu time spent up to now is 65.1 secs Computing kpt #: 178 total cpu time spent up to now is 65.4 secs Computing kpt #: 179 total cpu time spent up to now is 65.8 secs Computing kpt #: 180 total cpu time spent up to now is 66.1 secs Computing kpt #: 181 total cpu time spent up to now is 66.5 secs Computing kpt #: 182 total cpu time spent up to now is 66.8 secs Computing kpt #: 183 total cpu time spent up to now is 67.1 secs Computing kpt #: 184 total cpu time spent up to now is 67.5 secs Computing kpt #: 185 total cpu time spent up to now is 67.8 secs Computing kpt #: 186 total cpu time spent up to now is 68.1 secs Computing kpt #: 187 total cpu time spent up to now is 68.5 secs Computing kpt #: 188 total cpu time spent up to now is 68.8 secs Computing kpt #: 189 total cpu time spent up to now is 69.1 secs Computing kpt #: 190 total cpu time spent up to now is 69.4 secs Computing kpt #: 191 total cpu time spent up to now is 69.8 secs Computing kpt #: 192 total cpu time spent up to now is 70.1 secs Computing kpt #: 193 total cpu time spent up to now is 70.4 secs Computing kpt #: 194 total cpu time spent up to now is 70.8 secs Computing kpt #: 195 total cpu time spent up to now is 71.1 secs Computing kpt #: 196 total cpu time spent up to now is 71.4 secs Computing kpt #: 197 total cpu time spent up to now is 71.8 secs Computing kpt #: 198 total cpu time spent up to now is 72.1 secs Computing kpt #: 199 total cpu time spent up to now is 72.4 secs Computing kpt #: 200 total cpu time spent up to now is 72.8 secs Computing kpt #: 201 total cpu time spent up to now is 73.1 secs Computing kpt #: 202 total cpu time spent up to now is 73.5 secs Computing kpt #: 203 total cpu time spent up to now is 73.9 secs Computing kpt #: 204 total cpu time spent up to now is 74.3 secs Computing kpt #: 205 total cpu time spent up to now is 74.6 secs Computing kpt #: 206 total cpu time spent up to now is 75.0 secs Computing kpt #: 207 total cpu time spent up to now is 75.4 secs Computing kpt #: 208 total cpu time spent up to now is 75.8 secs Computing kpt #: 209 total cpu time spent up to now is 76.2 secs Computing kpt #: 210 total cpu time spent up to now is 76.5 secs Computing kpt #: 211 total cpu time spent up to now is 76.9 secs Computing kpt #: 212 total cpu time spent up to now is 77.3 secs Computing kpt #: 213 total cpu time spent up to now is 77.7 secs Computing kpt #: 214 total cpu time spent up to now is 78.0 secs Computing kpt #: 215 total cpu time spent up to now is 78.4 secs Computing kpt #: 216 total cpu time spent up to now is 78.7 secs Computing kpt #: 217 total cpu time spent up to now is 79.1 secs Computing kpt #: 218 total cpu time spent up to now is 79.4 secs Computing kpt #: 219 total cpu time spent up to now is 79.8 secs Computing kpt #: 220 total cpu time spent up to now is 80.1 secs Computing kpt #: 221 total cpu time spent up to now is 80.5 secs Computing kpt #: 222 total cpu time spent up to now is 80.9 secs Computing kpt #: 223 total cpu time spent up to now is 81.3 secs Computing kpt #: 224 total cpu time spent up to now is 81.7 secs Computing kpt #: 225 total cpu time spent up to now is 82.1 secs Computing kpt #: 226 total cpu time spent up to now is 82.5 secs Computing kpt #: 227 total cpu time spent up to now is 82.9 secs Computing kpt #: 228 total cpu time spent up to now is 83.3 secs Computing kpt #: 229 total cpu time spent up to now is 83.7 secs Computing kpt #: 230 total cpu time spent up to now is 84.1 secs Computing kpt #: 231 total cpu time spent up to now is 84.5 secs Computing kpt #: 232 total cpu time spent up to now is 84.9 secs Computing kpt #: 233 total cpu time spent up to now is 85.2 secs Computing kpt #: 234 total cpu time spent up to now is 85.6 secs Computing kpt #: 235 total cpu time spent up to now is 86.0 secs Computing kpt #: 236 total cpu time spent up to now is 86.4 secs Computing kpt #: 237 total cpu time spent up to now is 86.8 secs Computing kpt #: 238 total cpu time spent up to now is 87.1 secs Computing kpt #: 239 total cpu time spent up to now is 87.5 secs Computing kpt #: 240 total cpu time spent up to now is 88.0 secs Computing kpt #: 241 total cpu time spent up to now is 88.4 secs Computing kpt #: 242 total cpu time spent up to now is 88.8 secs Computing kpt #: 243 total cpu time spent up to now is 89.2 secs Computing kpt #: 244 total cpu time spent up to now is 89.6 secs Computing kpt #: 245 total cpu time spent up to now is 90.0 secs Computing kpt #: 246 total cpu time spent up to now is 90.3 secs Computing kpt #: 247 total cpu time spent up to now is 90.7 secs Computing kpt #: 248 total cpu time spent up to now is 91.0 secs Computing kpt #: 249 total cpu time spent up to now is 91.5 secs Computing kpt #: 250 total cpu time spent up to now is 91.8 secs Computing kpt #: 251 total cpu time spent up to now is 92.2 secs Computing kpt #: 252 total cpu time spent up to now is 92.6 secs Computing kpt #: 253 total cpu time spent up to now is 92.9 secs Computing kpt #: 254 total cpu time spent up to now is 93.3 secs Computing kpt #: 255 total cpu time spent up to now is 93.7 secs Computing kpt #: 256 total cpu time spent up to now is 94.1 secs Computing kpt #: 257 total cpu time spent up to now is 94.5 secs Computing kpt #: 258 total cpu time spent up to now is 94.9 secs Computing kpt #: 259 total cpu time spent up to now is 95.3 secs Computing kpt #: 260 total cpu time spent up to now is 95.6 secs Computing kpt #: 261 total cpu time spent up to now is 96.0 secs Computing kpt #: 262 total cpu time spent up to now is 96.4 secs Computing kpt #: 263 total cpu time spent up to now is 96.8 secs Computing kpt #: 264 total cpu time spent up to now is 97.2 secs Computing kpt #: 265 total cpu time spent up to now is 97.6 secs Computing kpt #: 266 total cpu time spent up to now is 97.9 secs Computing kpt #: 267 total cpu time spent up to now is 98.3 secs Computing kpt #: 268 total cpu time spent up to now is 98.7 secs Computing kpt #: 269 total cpu time spent up to now is 99.1 secs Computing kpt #: 270 total cpu time spent up to now is 99.5 secs Computing kpt #: 271 total cpu time spent up to now is 99.9 secs Computing kpt #: 272 total cpu time spent up to now is 100.2 secs Computing kpt #: 273 total cpu time spent up to now is 100.6 secs Computing kpt #: 274 total cpu time spent up to now is 101.0 secs Computing kpt #: 275 total cpu time spent up to now is 101.4 secs Computing kpt #: 276 total cpu time spent up to now is 101.8 secs Computing kpt #: 277 total cpu time spent up to now is 102.2 secs Computing kpt #: 278 total cpu time spent up to now is 102.6 secs Computing kpt #: 279 total cpu time spent up to now is 103.0 secs Computing kpt #: 280 total cpu time spent up to now is 103.4 secs Computing kpt #: 281 total cpu time spent up to now is 103.7 secs Computing kpt #: 282 total cpu time spent up to now is 104.1 secs Computing kpt #: 283 total cpu time spent up to now is 104.5 secs Computing kpt #: 284 total cpu time spent up to now is 104.9 secs Computing kpt #: 285 total cpu time spent up to now is 105.3 secs Computing kpt #: 286 total cpu time spent up to now is 105.7 secs Computing kpt #: 287 total cpu time spent up to now is 106.1 secs Computing kpt #: 288 total cpu time spent up to now is 106.5 secs Computing kpt #: 289 total cpu time spent up to now is 106.9 secs Computing kpt #: 290 total cpu time spent up to now is 107.3 secs Computing kpt #: 291 total cpu time spent up to now is 107.6 secs Computing kpt #: 292 total cpu time spent up to now is 108.0 secs Computing kpt #: 293 total cpu time spent up to now is 108.4 secs Computing kpt #: 294 total cpu time spent up to now is 108.8 secs Computing kpt #: 295 total cpu time spent up to now is 109.2 secs Computing kpt #: 296 total cpu time spent up to now is 109.6 secs Computing kpt #: 297 total cpu time spent up to now is 110.0 secs Computing kpt #: 298 total cpu time spent up to now is 110.4 secs Computing kpt #: 299 total cpu time spent up to now is 110.8 secs Computing kpt #: 300 total cpu time spent up to now is 111.2 secs Computing kpt #: 301 total cpu time spent up to now is 111.5 secs Computing kpt #: 302 total cpu time spent up to now is 111.9 secs Computing kpt #: 303 total cpu time spent up to now is 112.3 secs Computing kpt #: 304 total cpu time spent up to now is 112.7 secs Computing kpt #: 305 total cpu time spent up to now is 113.1 secs Computing kpt #: 306 total cpu time spent up to now is 113.5 secs Computing kpt #: 307 total cpu time spent up to now is 113.9 secs Computing kpt #: 308 total cpu time spent up to now is 114.2 secs Computing kpt #: 309 total cpu time spent up to now is 114.6 secs Computing kpt #: 310 total cpu time spent up to now is 114.9 secs Computing kpt #: 311 total cpu time spent up to now is 115.3 secs Computing kpt #: 312 total cpu time spent up to now is 115.7 secs Computing kpt #: 313 total cpu time spent up to now is 116.0 secs Computing kpt #: 314 total cpu time spent up to now is 116.4 secs Computing kpt #: 315 total cpu time spent up to now is 116.8 secs Computing kpt #: 316 total cpu time spent up to now is 117.1 secs Computing kpt #: 317 total cpu time spent up to now is 117.5 secs Computing kpt #: 318 total cpu time spent up to now is 117.9 secs Computing kpt #: 319 total cpu time spent up to now is 118.3 secs Computing kpt #: 320 total cpu time spent up to now is 118.7 secs Computing kpt #: 321 total cpu time spent up to now is 119.1 secs Computing kpt #: 322 total cpu time spent up to now is 119.5 secs Computing kpt #: 323 total cpu time spent up to now is 119.9 secs Computing kpt #: 324 total cpu time spent up to now is 120.3 secs Computing kpt #: 325 total cpu time spent up to now is 120.7 secs Computing kpt #: 326 total cpu time spent up to now is 121.0 secs Computing kpt #: 327 total cpu time spent up to now is 121.4 secs Computing kpt #: 328 total cpu time spent up to now is 121.7 secs Computing kpt #: 329 total cpu time spent up to now is 122.1 secs Computing kpt #: 330 total cpu time spent up to now is 122.4 secs Computing kpt #: 331 total cpu time spent up to now is 122.7 secs Computing kpt #: 332 total cpu time spent up to now is 123.0 secs Computing kpt #: 333 total cpu time spent up to now is 123.4 secs Computing kpt #: 334 total cpu time spent up to now is 123.7 secs Computing kpt #: 335 total cpu time spent up to now is 124.0 secs Computing kpt #: 336 total cpu time spent up to now is 124.3 secs Computing kpt #: 337 total cpu time spent up to now is 124.7 secs Computing kpt #: 338 total cpu time spent up to now is 125.1 secs Computing kpt #: 339 total cpu time spent up to now is 125.6 secs Computing kpt #: 340 total cpu time spent up to now is 126.0 secs Computing kpt #: 341 total cpu time spent up to now is 126.4 secs Computing kpt #: 342 total cpu time spent up to now is 126.9 secs Computing kpt #: 343 total cpu time spent up to now is 127.3 secs Computing kpt #: 344 total cpu time spent up to now is 127.7 secs Computing kpt #: 345 total cpu time spent up to now is 128.1 secs Computing kpt #: 346 total cpu time spent up to now is 128.5 secs Computing kpt #: 347 total cpu time spent up to now is 128.9 secs Computing kpt #: 348 total cpu time spent up to now is 129.4 secs Computing kpt #: 349 total cpu time spent up to now is 129.8 secs Computing kpt #: 350 total cpu time spent up to now is 130.2 secs Computing kpt #: 351 total cpu time spent up to now is 130.6 secs Computing kpt #: 352 total cpu time spent up to now is 131.0 secs Computing kpt #: 353 total cpu time spent up to now is 131.4 secs Computing kpt #: 354 total cpu time spent up to now is 131.8 secs Computing kpt #: 355 total cpu time spent up to now is 132.2 secs Computing kpt #: 356 total cpu time spent up to now is 132.5 secs Computing kpt #: 357 total cpu time spent up to now is 132.9 secs Computing kpt #: 358 total cpu time spent up to now is 133.3 secs Computing kpt #: 359 total cpu time spent up to now is 133.7 secs Computing kpt #: 360 total cpu time spent up to now is 134.0 secs Computing kpt #: 361 total cpu time spent up to now is 134.4 secs Computing kpt #: 362 total cpu time spent up to now is 134.8 secs Computing kpt #: 363 total cpu time spent up to now is 135.2 secs Computing kpt #: 364 total cpu time spent up to now is 135.6 secs ethr = 2.38E-08, avg # of iterations = 16.8 total cpu time spent up to now is 135.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5515 PWs) bands (ev): -66.6362 -66.6362 -66.6315 -66.6315 -36.4494 -36.4494 -36.4230 -36.4230 -35.3112 -35.3112 -35.2686 -35.2686 -35.1554 -35.1554 -35.1476 -35.1476 -3.4592 -3.4592 -1.9181 -1.9181 4.7914 4.7914 7.8402 7.8402 7.9880 7.9880 9.7937 9.7937 10.3133 10.3133 10.7058 10.7058 10.7103 10.7103 10.7705 10.7705 10.8492 10.8492 10.8642 10.8642 10.9201 10.9201 11.7446 11.7446 11.7775 11.7775 12.7024 12.7024 14.5439 14.5439 k = 0.0100 0.0058-0.0000 ( 5525 PWs) bands (ev): -66.6380 -66.6380 -66.6315 -66.6315 -36.4494 -36.4494 -36.4230 -36.4230 -35.3112 -35.3112 -35.2687 -35.2687 -35.1555 -35.1555 -35.1476 -35.1476 -3.4582 -3.4582 -1.9177 -1.9177 4.7928 4.7928 7.8376 7.8376 7.9852 7.9852 9.7881 9.7881 10.3006 10.3006 10.6623 10.6623 10.6923 10.6923 10.8101 10.8101 10.8126 10.8126 10.8843 10.8843 10.9601 10.9601 11.7433 11.7433 11.7764 11.7764 12.7023 12.7023 14.5291 14.5291 k = 0.0200 0.0115-0.0000 ( 5517 PWs) bands (ev): -66.6366 -66.6366 -66.6315 -66.6315 -36.4494 -36.4494 -36.4230 -36.4230 -35.3112 -35.3112 -35.2686 -35.2686 -35.1555 -35.1555 -35.1476 -35.1476 -3.4551 -3.4551 -1.9168 -1.9168 4.7970 4.7970 7.8355 7.8355 7.9832 7.9832 9.7823 9.7823 10.2662 10.2662 10.5934 10.5934 10.6442 10.6442 10.8079 10.8079 10.8723 10.8723 10.8901 10.8901 11.0355 11.0355 11.7504 11.7504 11.7855 11.7855 12.7018 12.7018 14.5073 14.5073 k = 0.0300 0.0173-0.0000 ( 5501 PWs) bands (ev): -66.6353 -66.6353 -66.6300 -66.6300 -36.4494 -36.4494 -36.4230 -36.4230 -35.3112 -35.3112 -35.2686 -35.2686 -35.1555 -35.1555 -35.1476 -35.1476 -3.4500 -3.4500 -1.9151 -1.9151 4.8043 4.8043 7.8331 7.8331 7.9817 7.9817 9.7662 9.7662 10.2184 10.2184 10.5227 10.5227 10.5727 10.5727 10.8415 10.8415 10.8979 10.8979 10.9341 10.9341 11.1168 11.1168 11.7566 11.7566 11.7919 11.7919 12.7030 12.7030 14.4699 14.4699 k = 0.0400 0.0231-0.0000 ( 5513 PWs) bands (ev): -66.6360 -66.6360 -66.6314 -66.6314 -36.4494 -36.4494 -36.4231 -36.4231 -35.3112 -35.3112 -35.2686 -35.2686 -35.1555 -35.1555 -35.1477 -35.1477 -3.4430 -3.4430 -1.9129 -1.9129 4.8140 4.8140 7.8257 7.8257 7.9761 7.9761 9.7387 9.7387 10.1630 10.1630 10.4446 10.4446 10.4910 10.4910 10.8752 10.8752 10.9012 10.9012 10.9893 10.9893 11.1951 11.1951 11.7532 11.7532 11.7931 11.7931 12.7019 12.7019 14.4095 14.4095 k = 0.0500 0.0289-0.0000 ( 5501 PWs) bands (ev): -66.6354 -66.6354 -66.6300 -66.6300 -36.4494 -36.4494 -36.4231 -36.4231 -35.3112 -35.3112 -35.2686 -35.2686 -35.1556 -35.1556 -35.1477 -35.1477 -3.4338 -3.4338 -1.9100 -1.9100 4.8267 4.8267 7.8180 7.8180 7.9717 7.9717 9.6991 9.6991 10.1081 10.1081 10.3704 10.3704 10.4119 10.4119 10.9003 10.9003 10.9309 10.9309 11.0467 11.0467 11.2751 11.2751 11.7606 11.7606 11.8049 11.8049 12.7011 12.7011 14.3434 14.3434 k = 0.0600 0.0346-0.0000 ( 5505 PWs) bands (ev): -66.6361 -66.6361 -66.6301 -66.6301 -36.4494 -36.4494 -36.4231 -36.4231 -35.3112 -35.3112 -35.2687 -35.2687 -35.1557 -35.1557 -35.1478 -35.1478 -3.4228 -3.4228 -1.9065 -1.9065 4.8422 4.8422 7.8062 7.8062 7.9656 7.9656 9.6426 9.6426 10.0552 10.0552 10.2951 10.2951 10.3317 10.3317 10.9107 10.9107 10.9687 10.9687 11.1006 11.1006 11.3471 11.3471 11.7558 11.7558 11.8183 11.8183 12.7012 12.7012 14.2680 14.2680 k = 0.0700 0.0404-0.0000 ( 5505 PWs) bands (ev): -66.6361 -66.6361 -66.6301 -66.6301 -36.4495 -36.4495 -36.4232 -36.4232 -35.3112 -35.3112 -35.2687 -35.2687 -35.1558 -35.1558 -35.1479 -35.1479 -3.4097 -3.4097 -1.9023 -1.9023 4.8604 4.8604 7.7916 7.7916 7.9602 7.9602 9.5694 9.5694 10.0062 10.0062 10.2243 10.2243 10.2537 10.2537 10.9195 10.9195 11.0059 11.0059 11.1553 11.1553 11.4109 11.4109 11.7565 11.7565 11.8427 11.8427 12.6991 12.6991 14.1901 14.1901 k = 0.0800 0.0462-0.0000 ( 5501 PWs) bands (ev): -66.6361 -66.6361 -66.6294 -66.6294 -36.4495 -36.4495 -36.4232 -36.4232 -35.3112 -35.3112 -35.2688 -35.2688 -35.1559 -35.1559 -35.1479 -35.1479 -3.3946 -3.3946 -1.8976 -1.8976 4.8814 4.8814 7.7738 7.7738 7.9556 7.9556 9.4797 9.4797 9.9578 9.9578 10.1615 10.1615 10.1788 10.1788 10.9329 10.9329 11.0407 11.0407 11.2107 11.2107 11.4640 11.4640 11.7572 11.7572 11.8786 11.8786 12.6973 12.6973 14.1110 14.1110 k = 0.0900 0.0520-0.0000 ( 5503 PWs) bands (ev): -66.6365 -66.6365 -66.6294 -66.6294 -36.4495 -36.4495 -36.4233 -36.4233 -35.3113 -35.3113 -35.2688 -35.2688 -35.1560 -35.1560 -35.1480 -35.1480 -3.3777 -3.3777 -1.8924 -1.8924 4.9051 4.9051 7.7519 7.7519 7.9511 7.9511 9.3753 9.3753 9.9046 9.9046 10.1007 10.1007 10.1150 10.1150 10.9434 10.9434 11.0701 11.0701 11.2644 11.2644 11.5045 11.5045 11.7572 11.7572 11.9274 11.9274 12.6945 12.6945 14.0283 14.0283 k = 0.1000 0.0577-0.0000 ( 5495 PWs) bands (ev): -66.6358 -66.6358 -66.6286 -66.6286 -36.4495 -36.4495 -36.4233 -36.4233 -35.3113 -35.3113 -35.2688 -35.2688 -35.1561 -35.1561 -35.1481 -35.1481 -3.3588 -3.3588 -1.8866 -1.8866 4.9315 4.9315 7.7276 7.7276 7.9478 7.9478 9.2609 9.2609 9.8449 9.8449 10.0308 10.0308 10.0771 10.0771 10.9570 10.9570 11.0995 11.0995 11.3178 11.3178 11.5367 11.5367 11.7576 11.7576 11.9930 11.9930 12.6933 12.6933 13.9510 13.9510 k = 0.1100 0.0635-0.0000 ( 5493 PWs) bands (ev): -66.6357 -66.6357 -66.6283 -66.6283 -36.4496 -36.4496 -36.4234 -36.4234 -35.3113 -35.3113 -35.2689 -35.2689 -35.1562 -35.1562 -35.1482 -35.1482 -3.3380 -3.3380 -1.8803 -1.8803 4.9606 4.9606 7.6997 7.6997 7.9454 7.9454 9.1380 9.1380 9.7775 9.7775 9.9606 9.9606 10.0519 10.0519 10.9716 10.9716 11.1265 11.1265 11.3703 11.3703 11.5534 11.5534 11.7574 11.7574 12.0628 12.0628 12.6872 12.6872 13.8721 13.8721 k = 0.1200 0.0693-0.0000 ( 5493 PWs) bands (ev): -66.6364 -66.6364 -66.6276 -66.6276 -36.4496 -36.4496 -36.4235 -36.4235 -35.3113 -35.3113 -35.2689 -35.2689 -35.1564 -35.1564 -35.1484 -35.1484 -3.3155 -3.3155 -1.8735 -1.8735 4.9924 4.9924 7.6675 7.6675 7.9428 7.9428 9.0082 9.0082 9.7062 9.7062 9.8917 9.8917 10.0342 10.0342 10.9903 10.9903 11.1493 11.1493 11.4192 11.4192 11.5638 11.5638 11.7572 11.7572 12.1376 12.1376 12.6852 12.6852 13.7907 13.7907 k = 0.1300 0.0751-0.0000 ( 5489 PWs) bands (ev): -66.6364 -66.6364 -66.6269 -66.6269 -36.4497 -36.4497 -36.4235 -36.4235 -35.3113 -35.3113 -35.2690 -35.2690 -35.1566 -35.1566 -35.1485 -35.1485 -3.2910 -3.2910 -1.8662 -1.8662 5.0268 5.0268 7.6327 7.6327 7.9410 7.9410 8.8741 8.8741 9.6342 9.6342 9.8250 9.8250 10.0215 10.0215 11.0058 11.0058 11.1715 11.1715 11.4658 11.4658 11.5732 11.5732 11.7568 11.7568 12.2204 12.2204 12.6840 12.6840 13.7126 13.7126 k = 0.1400 0.0808-0.0000 ( 5487 PWs) bands (ev): -66.6357 -66.6357 -66.6272 -66.6272 -36.4497 -36.4497 -36.4236 -36.4236 -35.3114 -35.3114 -35.2690 -35.2690 -35.1567 -35.1567 -35.1486 -35.1486 -3.2649 -3.2649 -1.8585 -1.8585 5.0636 5.0636 7.5946 7.5946 7.9402 7.9402 8.7365 8.7365 9.5606 9.5606 9.7597 9.7597 10.0115 10.0115 11.0216 11.0216 11.1909 11.1909 11.5098 11.5098 11.5788 11.5788 11.7594 11.7594 12.3062 12.3062 12.6783 12.6783 13.6347 13.6347 k = 0.1500 0.0866-0.0000 ( 5495 PWs) bands (ev): -66.6363 -66.6363 -66.6279 -66.6279 -36.4498 -36.4498 -36.4237 -36.4237 -35.3114 -35.3114 -35.2691 -35.2691 -35.1569 -35.1569 -35.1488 -35.1488 -3.2370 -3.2370 -1.8505 -1.8505 5.1030 5.1030 7.5531 7.5531 7.9381 7.9381 8.5964 8.5964 9.4864 9.4864 9.6952 9.6952 10.0025 10.0025 11.0371 11.0371 11.2077 11.2077 11.5417 11.5417 11.5839 11.5839 11.7571 11.7571 12.3895 12.3895 12.6742 12.6742 13.5569 13.5569 k = 0.1600 0.0924-0.0000 ( 5501 PWs) bands (ev): -66.6373 -66.6373 -66.6279 -66.6279 -36.4498 -36.4498 -36.4238 -36.4238 -35.3115 -35.3115 -35.2692 -35.2692 -35.1572 -35.1572 -35.1490 -35.1490 -3.2075 -3.2075 -1.8421 -1.8421 5.1449 5.1449 7.5078 7.5078 7.9366 7.9366 8.4558 8.4558 9.4131 9.4131 9.6327 9.6327 9.9946 9.9946 11.0542 11.0542 11.2244 11.2244 11.5557 11.5557 11.6041 11.6041 11.7568 11.7568 12.4721 12.4721 12.6727 12.6727 13.4765 13.4765 k = 0.1700 0.0981-0.0000 ( 5503 PWs) bands (ev): -66.6377 -66.6377 -66.6278 -66.6278 -36.4499 -36.4499 -36.4239 -36.4239 -35.3115 -35.3115 -35.2692 -35.2692 -35.1574 -35.1574 -35.1492 -35.1492 -3.1763 -3.1763 -1.8335 -1.8335 5.1898 5.1898 7.4601 7.4601 7.9358 7.9358 8.3162 8.3162 9.3395 9.3395 9.5721 9.5721 9.9888 9.9888 11.0711 11.0711 11.2428 11.2428 11.5532 11.5532 11.6345 11.6345 11.7566 11.7566 12.5444 12.5444 12.6859 12.6859 13.4010 13.4010 k = 0.1800 0.1039-0.0000 ( 5503 PWs) bands (ev): -66.6376 -66.6376 -66.6278 -66.6278 -36.4500 -36.4500 -36.4240 -36.4240 -35.3115 -35.3115 -35.2693 -35.2693 -35.1576 -35.1576 -35.1494 -35.1494 -3.1435 -3.1435 -1.8245 -1.8245 5.2365 5.2365 7.4091 7.4091 7.9352 7.9352 8.1784 8.1784 9.2678 9.2678 9.5134 9.5134 9.9835 9.9835 11.0899 11.0899 11.2623 11.2623 11.5489 11.5489 11.6649 11.6649 11.7569 11.7569 12.5955 12.5955 12.7134 12.7134 13.3294 13.3294 k = 0.1900 0.1097-0.0000 ( 5501 PWs) bands (ev): -66.6372 -66.6372 -66.6277 -66.6277 -36.4500 -36.4500 -36.4241 -36.4241 -35.3116 -35.3116 -35.2693 -35.2693 -35.1578 -35.1578 -35.1495 -35.1495 -3.1093 -3.1093 -1.8154 -1.8154 5.2856 5.2856 7.3545 7.3545 7.9345 7.9345 8.0437 8.0437 9.1976 9.1976 9.4566 9.4566 9.9784 9.9784 11.1088 11.1088 11.2830 11.2830 11.5438 11.5438 11.6924 11.6924 11.7576 11.7576 12.6114 12.6114 12.7754 12.7754 13.2621 13.2621 k = 0.2000 0.1155-0.0000 ( 5507 PWs) bands (ev): -66.6371 -66.6371 -66.6288 -66.6288 -36.4501 -36.4501 -36.4242 -36.4242 -35.3117 -35.3117 -35.2694 -35.2694 -35.1580 -35.1580 -35.1498 -35.1498 -3.0736 -3.0736 -1.8062 -1.8062 5.3367 5.3367 7.2941 7.2941 7.9125 7.9125 7.9333 7.9333 9.1283 9.1283 9.4010 9.4010 9.9726 9.9726 11.1265 11.1265 11.3003 11.3003 11.5369 11.5369 11.7150 11.7150 11.7588 11.7588 12.6061 12.6061 12.8510 12.8510 13.1928 13.1928 k = 0.2100 0.1212-0.0000 ( 5495 PWs) bands (ev): -66.6364 -66.6364 -66.6273 -66.6273 -36.4502 -36.4502 -36.4243 -36.4243 -35.3117 -35.3117 -35.2695 -35.2695 -35.1582 -35.1582 -35.1499 -35.1499 -3.0366 -3.0366 -1.7969 -1.7969 5.3907 5.3907 7.2286 7.2286 7.7892 7.7892 7.9335 7.9335 9.0606 9.0606 9.3489 9.3489 9.9680 9.9680 11.1477 11.1477 11.3248 11.3248 11.5300 11.5300 11.7360 11.7360 11.7631 11.7631 12.6076 12.6076 12.9314 12.9314 13.1336 13.1336 k = 0.2200 0.1270-0.0000 ( 5497 PWs) bands (ev): -66.6366 -66.6366 -66.6272 -66.6272 -36.4502 -36.4502 -36.4244 -36.4244 -35.3117 -35.3117 -35.2695 -35.2695 -35.1584 -35.1584 -35.1501 -35.1501 -2.9983 -2.9983 -1.7875 -1.7875 5.4464 5.4464 7.1544 7.1544 7.6735 7.6735 7.9323 7.9323 8.9938 8.9938 9.2976 9.2976 9.9606 9.9606 11.1677 11.1677 11.3446 11.3446 11.5219 11.5219 11.7469 11.7469 11.7704 11.7704 12.5976 12.5976 13.0069 13.0069 13.0729 13.0729 k = 0.2300 0.1328-0.0000 ( 5497 PWs) bands (ev): -66.6365 -66.6365 -66.6272 -66.6272 -36.4503 -36.4503 -36.4245 -36.4245 -35.3118 -35.3118 -35.2696 -35.2696 -35.1586 -35.1586 -35.1503 -35.1503 -2.9588 -2.9588 -1.7782 -1.7782 5.5041 5.5041 7.0714 7.0714 7.5681 7.5681 7.9312 7.9312 8.9280 8.9280 9.2484 9.2484 9.9544 9.9544 11.1878 11.1878 11.3646 11.3646 11.5131 11.5131 11.7529 11.7529 11.7811 11.7811 12.5867 12.5867 13.0020 13.0020 13.0938 13.0938 k = 0.2400 0.1386-0.0000 ( 5503 PWs) bands (ev): -66.6368 -66.6368 -66.6278 -66.6278 -36.4504 -36.4504 -36.4246 -36.4246 -35.3118 -35.3118 -35.2697 -35.2697 -35.1589 -35.1589 -35.1506 -35.1506 -2.9183 -2.9183 -1.7691 -1.7691 5.5637 5.5637 6.9789 6.9789 7.4737 7.4737 7.9292 7.9292 8.8638 8.8638 9.2008 9.2008 9.9471 9.9471 11.2031 11.2031 11.3831 11.3831 11.5046 11.5046 11.7550 11.7550 11.7891 11.7891 12.5720 12.5720 12.9449 12.9449 13.1666 13.1666 k = 0.2500 0.1443-0.0000 ( 5515 PWs) bands (ev): -66.6374 -66.6374 -66.6292 -66.6292 -36.4505 -36.4505 -36.4247 -36.4247 -35.3119 -35.3119 -35.2698 -35.2698 -35.1591 -35.1591 -35.1508 -35.1508 -2.8767 -2.8767 -1.7601 -1.7601 5.6250 5.6250 6.8776 6.8776 7.3895 7.3895 7.9272 7.9272 8.7985 8.7985 9.1552 9.1552 9.9388 9.9388 11.2225 11.2225 11.3974 11.3974 11.4897 11.4897 11.7579 11.7579 11.7966 11.7966 12.5536 12.5536 12.8840 12.8840 13.2338 13.2338 k = 0.2600 0.1501-0.0000 ( 5515 PWs) bands (ev): -66.6373 -66.6373 -66.6291 -66.6291 -36.4506 -36.4506 -36.4248 -36.4248 -35.3119 -35.3119 -35.2699 -35.2699 -35.1594 -35.1594 -35.1510 -35.1510 -2.8341 -2.8341 -1.7514 -1.7514 5.6880 5.6880 6.7700 6.7700 7.3160 7.3160 7.9254 7.9254 8.7366 8.7366 9.1121 9.1121 9.9312 9.9312 11.2417 11.2417 11.4152 11.4152 11.4832 11.4832 11.7611 11.7611 11.8024 11.8024 12.5354 12.5354 12.8324 12.8324 13.3023 13.3023 k = 0.2700 0.1559-0.0000 ( 5511 PWs) bands (ev): -66.6358 -66.6358 -66.6298 -66.6298 -36.4506 -36.4506 -36.4249 -36.4249 -35.3120 -35.3120 -35.2699 -35.2699 -35.1596 -35.1596 -35.1512 -35.1512 -2.7908 -2.7908 -1.7430 -1.7430 5.7526 5.7526 6.6585 6.6585 7.2502 7.2502 7.9224 7.9224 8.6770 8.6770 9.0708 9.0708 9.9237 9.9237 11.2568 11.2568 11.4313 11.4313 11.4858 11.4858 11.7658 11.7658 11.8036 11.8036 12.5207 12.5207 12.7880 12.7880 13.3676 13.3676 k = 0.2800 0.1617-0.0000 ( 5513 PWs) bands (ev): -66.6353 -66.6353 -66.6305 -66.6305 -36.4507 -36.4507 -36.4250 -36.4250 -35.3121 -35.3121 -35.2699 -35.2699 -35.1598 -35.1598 -35.1515 -35.1515 -2.7468 -2.7468 -1.7350 -1.7350 5.8183 5.8183 6.5444 6.5444 7.1906 7.1906 7.9187 7.9187 8.6176 8.6176 9.0313 9.0313 9.9148 9.9148 11.2750 11.2750 11.4370 11.4370 11.4916 11.4916 11.7692 11.7692 11.8044 11.8044 12.4981 12.4981 12.7435 12.7435 13.4276 13.4276 k = 0.2900 0.1674-0.0000 ( 5511 PWs) bands (ev): -66.6349 -66.6349 -66.6305 -66.6305 -36.4508 -36.4508 -36.4251 -36.4251 -35.3121 -35.3121 -35.2700 -35.2700 -35.1600 -35.1600 -35.1517 -35.1517 -2.7021 -2.7021 -1.7275 -1.7275 5.8852 5.8852 6.4299 6.4299 7.1361 7.1361 7.9155 7.9155 8.5596 8.5596 8.9944 8.9944 9.9051 9.9051 11.2929 11.2929 11.4358 11.4358 11.5061 11.5061 11.7727 11.7727 11.8031 11.8031 12.4776 12.4776 12.7031 12.7031 13.4840 13.4840 k = 0.3000 0.1732-0.0000 ( 5503 PWs) bands (ev): -66.6341 -66.6341 -66.6298 -66.6298 -36.4508 -36.4508 -36.4252 -36.4252 -35.3122 -35.3122 -35.2701 -35.2701 -35.1602 -35.1602 -35.1518 -35.1518 -2.6571 -2.6571 -1.7206 -1.7206 5.9524 5.9524 6.3173 6.3173 7.0857 7.0857 7.9127 7.9127 8.5027 8.5027 8.9600 8.9600 9.8974 9.8974 11.3099 11.3099 11.4291 11.4291 11.5247 11.5247 11.7780 11.7780 11.8069 11.8069 12.4581 12.4581 12.6673 12.6673 13.5354 13.5354 k = 0.3100 0.1790-0.0000 ( 5503 PWs) bands (ev): -66.6337 -66.6337 -66.6301 -66.6301 -36.4509 -36.4509 -36.4253 -36.4253 -35.3122 -35.3122 -35.2701 -35.2701 -35.1604 -35.1604 -35.1520 -35.1520 -2.6117 -2.6117 -1.7144 -1.7144 6.0161 6.0161 6.2106 6.2106 7.0384 7.0384 7.9090 7.9090 8.4468 8.4468 8.9275 8.9275 9.8871 9.8871 11.3228 11.3228 11.4219 11.4219 11.5430 11.5430 11.7800 11.7800 11.8052 11.8052 12.4330 12.4330 12.6336 12.6336 13.5817 13.5817 k = 0.3200 0.1848-0.0000 ( 5507 PWs) bands (ev): -66.6343 -66.6343 -66.6301 -66.6301 -36.4510 -36.4510 -36.4254 -36.4254 -35.3123 -35.3123 -35.2702 -35.2702 -35.1606 -35.1606 -35.1522 -35.1522 -2.5662 -2.5662 -1.7089 -1.7089 6.0435 6.0435 6.1432 6.1432 6.9939 6.9939 7.9045 7.9045 8.3915 8.3915 8.8968 8.8968 9.8757 9.8757 11.3363 11.3363 11.4124 11.4124 11.5580 11.5580 11.7779 11.7779 11.8037 11.8037 12.4090 12.4090 12.6013 12.6013 13.6214 13.6214 k = 0.3300 0.1905-0.0000 ( 5501 PWs) bands (ev): -66.6331 -66.6331 -66.6301 -66.6301 -36.4511 -36.4511 -36.4255 -36.4255 -35.3123 -35.3123 -35.2702 -35.2702 -35.1608 -35.1608 -35.1524 -35.1524 -2.5206 -2.5206 -1.7043 -1.7043 5.9664 5.9664 6.1847 6.1847 6.9522 6.9522 7.9004 7.9004 8.3373 8.3373 8.8686 8.8686 9.8657 9.8657 11.3492 11.3492 11.4063 11.4063 11.5752 11.5752 11.7784 11.7784 11.8124 11.8124 12.3841 12.3841 12.5751 12.5751 13.6564 13.6564 k = 0.3400 0.1963-0.0000 ( 5493 PWs) bands (ev): -66.6316 -66.6316 -66.6300 -66.6300 -36.4511 -36.4511 -36.4255 -36.4255 -35.3123 -35.3123 -35.2703 -35.2703 -35.1609 -35.1609 -35.1526 -35.1526 -2.4750 -2.4750 -1.7006 -1.7006 5.8678 5.8678 6.2521 6.2521 6.9130 6.9130 7.8958 7.8958 8.2845 8.2845 8.8424 8.8424 9.8552 9.8552 11.3583 11.3583 11.4076 11.4076 11.5920 11.5920 11.7756 11.7756 11.8213 11.8213 12.3586 12.3586 12.5527 12.5527 13.6880 13.6880 k = 0.3500 0.2021-0.0000 ( 5497 PWs) bands (ev): -66.6316 -66.6316 -66.6307 -66.6307 -36.4512 -36.4512 -36.4256 -36.4256 -35.3124 -35.3124 -35.2703 -35.2703 -35.1611 -35.1611 -35.1528 -35.1528 -2.4298 -2.4298 -1.6979 -1.6979 5.7699 5.7699 6.3230 6.3230 6.8764 6.8764 7.8906 7.8906 8.2320 8.2320 8.8181 8.8181 9.8428 9.8428 11.3579 11.3579 11.4071 11.4071 11.6062 11.6062 11.7660 11.7660 11.8237 11.8237 12.3293 12.3293 12.5330 12.5330 13.7136 13.7136 k = 0.3600 0.2078-0.0000 ( 5501 PWs) bands (ev): -66.6315 -66.6315 -66.6313 -66.6313 -36.4513 -36.4513 -36.4257 -36.4257 -35.3125 -35.3125 -35.2704 -35.2704 -35.1613 -35.1613 -35.1530 -35.1530 -2.3849 -2.3849 -1.6964 -1.6964 5.6753 5.6753 6.3947 6.3947 6.8426 6.8426 7.8844 7.8844 8.1798 8.1798 8.7957 8.7957 9.8328 9.8328 11.3521 11.3521 11.4101 11.4101 11.6145 11.6145 11.7594 11.7594 11.8306 11.8306 12.3031 12.3031 12.5137 12.5137 13.7329 13.7329 k = 0.3700 0.2136-0.0000 ( 5509 PWs) bands (ev): -66.6329 -66.6329 -66.6313 -66.6313 -36.4513 -36.4513 -36.4258 -36.4258 -35.3125 -35.3125 -35.2705 -35.2705 -35.1615 -35.1615 -35.1531 -35.1531 -2.3407 -2.3407 -1.6962 -1.6962 5.5849 5.5849 6.4661 6.4661 6.8119 6.8119 7.8787 7.8787 8.1283 8.1283 8.7753 8.7753 9.8211 9.8211 11.3394 11.3394 11.4169 11.4169 11.6157 11.6157 11.7505 11.7505 11.8395 11.8395 12.2755 12.2755 12.4935 12.4935 13.7515 13.7515 k = 0.3800 0.2194-0.0000 ( 5505 PWs) bands (ev): -66.6328 -66.6328 -66.6305 -66.6305 -36.4514 -36.4514 -36.4259 -36.4259 -35.3125 -35.3125 -35.2705 -35.2705 -35.1617 -35.1617 -35.1532 -35.1532 -2.2972 -2.2972 -1.6971 -1.6971 5.5002 5.5002 6.5356 6.5356 6.7859 6.7859 7.8725 7.8725 8.0775 8.0775 8.7569 8.7569 9.8100 9.8100 11.3279 11.3279 11.4281 11.4281 11.6244 11.6244 11.7431 11.7431 11.8531 11.8531 12.2521 12.2521 12.4840 12.4840 13.7640 13.7640 k = 0.3900 0.2252-0.0000 ( 5503 PWs) bands (ev): -66.6324 -66.6324 -66.6305 -66.6305 -36.4514 -36.4514 -36.4259 -36.4259 -35.3126 -35.3126 -35.2706 -35.2706 -35.1618 -35.1618 -35.1533 -35.1533 -2.2546 -2.2546 -1.6995 -1.6995 5.4211 5.4211 6.5992 6.5992 6.7679 6.7679 7.8651 7.8651 8.0281 8.0281 8.7403 8.7403 9.7966 9.7966 11.3153 11.3153 11.4368 11.4368 11.6337 11.6337 11.7391 11.7391 11.8642 11.8642 12.2304 12.2304 12.4755 12.4755 13.7723 13.7723 k = 0.4000 0.2309-0.0000 ( 5501 PWs) bands (ev): -66.6327 -66.6327 -66.6298 -66.6298 -36.4514 -36.4514 -36.4260 -36.4260 -35.3126 -35.3126 -35.2706 -35.2706 -35.1620 -35.1620 -35.1534 -35.1534 -2.2131 -2.2131 -1.7032 -1.7032 5.3478 5.3478 6.6453 6.6453 6.7698 6.7698 7.8564 7.8564 7.9803 7.9803 8.7254 8.7254 9.7837 9.7837 11.3027 11.3027 11.4435 11.4435 11.6400 11.6400 11.7329 11.7329 11.8740 11.8740 12.2088 12.2088 12.4735 12.4735 13.7790 13.7790 k = 0.4100 0.2367-0.0000 ( 5499 PWs) bands (ev): -66.6320 -66.6320 -66.6301 -66.6301 -36.4515 -36.4515 -36.4261 -36.4261 -35.3126 -35.3126 -35.2706 -35.2706 -35.1621 -35.1621 -35.1536 -35.1536 -2.1728 -2.1728 -1.7085 -1.7085 5.2804 5.2804 6.6577 6.6577 6.8071 6.8071 7.8437 7.8437 7.9360 7.9360 8.7122 8.7122 9.7747 9.7747 11.2940 11.2940 11.4504 11.4504 11.6441 11.6441 11.7277 11.7277 11.8839 11.8839 12.1850 12.1850 12.4695 12.4695 13.7826 13.7826 k = 0.4200 0.2425-0.0000 ( 5503 PWs) bands (ev): -66.6327 -66.6327 -66.6300 -66.6300 -36.4515 -36.4515 -36.4261 -36.4261 -35.3126 -35.3126 -35.2707 -35.2707 -35.1622 -35.1622 -35.1537 -35.1537 -2.1341 -2.1341 -1.7152 -1.7152 5.2195 5.2195 6.6496 6.6496 6.8670 6.8670 7.8211 7.8211 7.9012 7.9012 8.7004 8.7004 9.7674 9.7674 11.2812 11.2812 11.4493 11.4493 11.6485 11.6485 11.7153 11.7153 11.8860 11.8860 12.1612 12.1612 12.4744 12.4744 13.7856 13.7856 k = 0.4300 0.2483-0.0000 ( 5501 PWs) bands (ev): -66.6330 -66.6330 -66.6293 -66.6293 -36.4515 -36.4515 -36.4262 -36.4262 -35.3126 -35.3126 -35.2707 -35.2707 -35.1623 -35.1623 -35.1538 -35.1538 -2.0970 -2.0970 -1.7235 -1.7235 5.1651 5.1651 6.6363 6.6363 6.9336 6.9336 7.7851 7.7851 7.8816 7.8816 8.6904 8.6904 9.7589 9.7589 11.2671 11.2671 11.4520 11.4520 11.6493 11.6493 11.7115 11.7115 11.8911 11.8911 12.1442 12.1442 12.4776 12.4776 13.7888 13.7888 k = 0.4400 0.2540-0.0000 ( 5495 PWs) bands (ev): -66.6323 -66.6323 -66.6289 -66.6289 -36.4516 -36.4516 -36.4262 -36.4262 -35.3126 -35.3126 -35.2707 -35.2707 -35.1624 -35.1624 -35.1538 -35.1538 -2.0619 -2.0619 -1.7331 -1.7331 5.1176 5.1176 6.6227 6.6227 7.0021 7.0021 7.7389 7.7389 7.8706 7.8706 8.6819 8.6819 9.7515 9.7515 11.2596 11.2596 11.4566 11.4566 11.6509 11.6509 11.7106 11.7106 11.8988 11.8988 12.1316 12.1316 12.4797 12.4797 13.7895 13.7895 k = 0.4500 0.2598-0.0000 ( 5495 PWs) bands (ev): -66.6316 -66.6316 -66.6296 -66.6296 -36.4516 -36.4516 -36.4262 -36.4262 -35.3127 -35.3127 -35.2707 -35.2707 -35.1624 -35.1624 -35.1539 -35.1539 -2.0292 -2.0292 -1.7441 -1.7441 5.0772 5.0772 6.6103 6.6103 7.0704 7.0704 7.6873 7.6873 7.8632 7.8632 8.6747 8.6747 9.7433 9.7433 11.2508 11.2508 11.4607 11.4607 11.6529 11.6529 11.7135 11.7135 11.9056 11.9056 12.1098 12.1098 12.4816 12.4816 13.7876 13.7876 k = 0.4600 0.2656-0.0000 ( 5506 PWs) bands (ev): -66.6317 -66.6317 -66.6315 -66.6315 -36.4517 -36.4517 -36.4263 -36.4263 -35.3128 -35.3128 -35.2708 -35.2708 -35.1625 -35.1625 -35.1540 -35.1540 -1.9992 -1.9992 -1.7560 -1.7560 5.0432 5.0432 6.5998 6.5998 7.1377 7.1377 7.6322 7.6322 7.8583 7.8583 8.6689 8.6689 9.7368 9.7368 11.2392 11.2392 11.4631 11.4631 11.6521 11.6521 11.7134 11.7134 11.9080 11.9080 12.0914 12.0914 12.4704 12.4704 13.7827 13.7827 k = 0.4700 0.2714-0.0000 ( 5518 PWs) bands (ev): -66.6332 -66.6332 -66.6322 -66.6322 -36.4517 -36.4517 -36.4263 -36.4263 -35.3128 -35.3128 -35.2708 -35.2708 -35.1626 -35.1626 -35.1541 -35.1541 -1.9728 -1.9728 -1.7683 -1.7683 5.0169 5.0169 6.5915 6.5915 7.2042 7.2042 7.5753 7.5753 7.8543 7.8543 8.6644 8.6644 9.7319 9.7319 11.2272 11.2272 11.4613 11.4613 11.6508 11.6508 11.7101 11.7101 11.9054 11.9054 12.0746 12.0746 12.4693 12.4693 13.7798 13.7798 k = 0.4800 0.2771-0.0000 ( 5510 PWs) bands (ev): -66.6325 -66.6325 -66.6315 -66.6315 -36.4517 -36.4517 -36.4263 -36.4263 -35.3128 -35.3128 -35.2708 -35.2708 -35.1626 -35.1626 -35.1541 -35.1541 -1.9512 -1.9512 -1.7796 -1.7796 4.9984 4.9984 6.5855 6.5855 7.2697 7.2697 7.5174 7.5174 7.8522 7.8522 8.6612 8.6612 9.7288 9.7288 11.2224 11.2224 11.4650 11.4650 11.6555 11.6555 11.7128 11.7128 11.9138 11.9138 12.0703 12.0703 12.4721 12.4721 13.7791 13.7791 k = 0.4900 0.2829-0.0000 ( 5506 PWs) bands (ev): -66.6318 -66.6318 -66.6315 -66.6315 -36.4517 -36.4517 -36.4263 -36.4263 -35.3128 -35.3128 -35.2708 -35.2708 -35.1626 -35.1626 -35.1541 -35.1541 -1.9364 -1.9364 -1.7882 -1.7882 4.9872 4.9872 6.5818 6.5818 7.3343 7.3343 7.4582 7.4582 7.8510 7.8510 8.6593 8.6593 9.7271 9.7271 11.2194 11.2194 11.4658 11.4658 11.6550 11.6550 11.7121 11.7121 11.9159 11.9159 12.0714 12.0714 12.4757 12.4757 13.7796 13.7796 k = 0.5000 0.2887-0.0000 ( 5506 PWs) bands (ev): -66.6318 -66.6318 -66.6315 -66.6315 -36.4517 -36.4517 -36.4263 -36.4263 -35.3128 -35.3128 -35.2708 -35.2708 -35.1626 -35.1626 -35.1541 -35.1541 -1.9311 -1.9311 -1.7915 -1.7915 4.9834 4.9834 6.5806 6.5806 7.3954 7.3954 7.3986 7.3986 7.8505 7.8505 8.6587 8.6587 9.7265 9.7265 11.2183 11.2183 11.4660 11.4660 11.6548 11.6548 11.7119 11.7119 11.9164 11.9164 12.0700 12.0700 12.4760 12.4760 13.7794 13.7794 k = 0.5000 0.2887-0.0000 ( 5506 PWs) bands (ev): -66.6318 -66.6318 -66.6315 -66.6315 -36.4517 -36.4517 -36.4263 -36.4263 -35.3128 -35.3128 -35.2708 -35.2708 -35.1626 -35.1626 -35.1541 -35.1541 -1.9311 -1.9311 -1.7915 -1.7915 4.9834 4.9834 6.5806 6.5806 7.3954 7.3954 7.3986 7.3986 7.8505 7.8505 8.6587 8.6587 9.7265 9.7265 11.2183 11.2183 11.4660 11.4660 11.6548 11.6548 11.7119 11.7119 11.9164 11.9164 12.0700 12.0700 12.4760 12.4760 13.7794 13.7794 k = 0.4943 0.2986-0.0000 ( 5506 PWs) bands (ev): -66.6318 -66.6318 -66.6315 -66.6315 -36.4517 -36.4517 -36.4263 -36.4263 -35.3128 -35.3128 -35.2708 -35.2708 -35.1626 -35.1626 -35.1541 -35.1541 -1.9307 -1.9307 -1.7912 -1.7912 4.9844 4.9844 6.5804 6.5804 7.3960 7.3960 7.3988 7.3988 7.8504 7.8504 8.6453 8.6453 9.7371 9.7371 11.2188 11.2188 11.4669 11.4669 11.6546 11.6546 11.7118 11.7118 11.9165 11.9165 12.0697 12.0697 12.4773 12.4773 13.7782 13.7782 k = 0.4885 0.3086-0.0000 ( 5506 PWs) bands (ev): -66.6317 -66.6317 -66.6315 -66.6315 -36.4517 -36.4517 -36.4263 -36.4263 -35.3128 -35.3128 -35.2708 -35.2708 -35.1626 -35.1626 -35.1541 -35.1541 -1.9297 -1.9297 -1.7902 -1.7902 4.9874 4.9874 6.5796 6.5796 7.3967 7.3967 7.3996 7.3996 7.8498 7.8498 8.6065 8.6065 9.7671 9.7671 11.2200 11.2200 11.4689 11.4689 11.6540 11.6540 11.7113 11.7113 11.9157 11.9157 12.0756 12.0756 12.4816 12.4816 13.7699 13.7699 k = 0.4828 0.3185-0.0000 ( 5510 PWs) bands (ev): -66.6322 -66.6322 -66.6317 -66.6317 -36.4517 -36.4517 -36.4263 -36.4263 -35.3128 -35.3128 -35.2708 -35.2708 -35.1626 -35.1626 -35.1542 -35.1542 -1.9281 -1.9281 -1.7885 -1.7885 4.9924 4.9924 6.5784 6.5784 7.3978 7.3978 7.4023 7.4023 7.8507 7.8507 8.5466 8.5466 9.8097 9.8097 11.2225 11.2225 11.4680 11.4680 11.6522 11.6522 11.7101 11.7101 11.9091 11.9091 12.0723 12.0723 12.4864 12.4864 13.7663 13.7663 k = 0.4770 0.3285-0.0000 ( 5512 PWs) bands (ev): -66.6325 -66.6325 -66.6317 -66.6317 -36.4517 -36.4517 -36.4264 -36.4264 -35.3128 -35.3128 -35.2708 -35.2708 -35.1627 -35.1627 -35.1542 -35.1542 -1.9257 -1.9257 -1.7862 -1.7862 4.9994 4.9994 6.5766 6.5766 7.3983 7.3983 7.4066 7.4066 7.8478 7.8478 8.4704 8.4704 9.8668 9.8668 11.2246 11.2246 11.4747 11.4747 11.6486 11.6486 11.7060 11.7060 11.9136 11.9136 12.0680 12.0680 12.4984 12.4984 13.7572 13.7572 k = 0.4713 0.3384-0.0000 ( 5506 PWs) bands (ev): -66.6318 -66.6318 -66.6314 -66.6314 -36.4517 -36.4517 -36.4263 -36.4263 -35.3128 -35.3128 -35.2708 -35.2708 -35.1627 -35.1627 -35.1542 -35.1542 -1.9227 -1.9227 -1.7834 -1.7834 5.0084 5.0084 6.5744 6.5744 7.3987 7.3987 7.4124 7.4124 7.8472 7.8472 8.3824 8.3824 9.9334 9.9334 11.2289 11.2289 11.4819 11.4819 11.6483 11.6483 11.7067 11.7067 11.9148 11.9148 12.0658 12.0658 12.5109 12.5109 13.7467 13.7467 k = 0.4655 0.3484-0.0000 ( 5498 PWs) bands (ev): -66.6314 -66.6314 -66.6304 -66.6304 -36.4517 -36.4517 -36.4263 -36.4263 -35.3128 -35.3128 -35.2708 -35.2708 -35.1627 -35.1627 -35.1542 -35.1542 -1.9191 -1.9191 -1.7799 -1.7799 5.0193 5.0193 6.5717 6.5717 7.3992 7.3992 7.4191 7.4191 7.8451 7.8451 8.2860 8.2860 10.0020 10.0020 11.2372 11.2372 11.4959 11.4959 11.6485 11.6485 11.7080 11.7080 11.9205 11.9205 12.0624 12.0624 12.5252 12.5252 13.7307 13.7307 k = 0.4598 0.3584-0.0000 ( 5506 PWs) bands (ev): -66.6318 -66.6318 -66.6314 -66.6314 -36.4517 -36.4517 -36.4264 -36.4264 -35.3128 -35.3128 -35.2708 -35.2708 -35.1627 -35.1627 -35.1542 -35.1542 -1.9149 -1.9149 -1.7760 -1.7760 5.0320 5.0320 6.5686 6.5686 7.3995 7.3995 7.4270 7.4270 7.8424 7.8424 8.1836 8.1836 10.0685 10.0685 11.2393 11.2393 11.4977 11.4977 11.6423 11.6423 11.7025 11.7025 11.9205 11.9205 12.0575 12.0575 12.5409 12.5409 13.7136 13.7136 k = 0.4540 0.3683-0.0000 ( 5506 PWs) bands (ev): -66.6318 -66.6318 -66.6314 -66.6314 -36.4517 -36.4517 -36.4264 -36.4264 -35.3128 -35.3128 -35.2708 -35.2708 -35.1628 -35.1628 -35.1543 -35.1543 -1.9100 -1.9100 -1.7715 -1.7715 5.0464 5.0464 6.5649 6.5649 7.3998 7.3998 7.4361 7.4361 7.8393 7.8393 8.0780 8.0780 10.1372 10.1372 11.2463 11.2463 11.5096 11.5096 11.6351 11.6351 11.6970 11.6970 11.9247 11.9247 12.0521 12.0521 12.5588 12.5588 13.6943 13.6943 k = 0.4483 0.3783-0.0000 ( 5510 PWs) bands (ev): -66.6321 -66.6321 -66.6318 -66.6318 -36.4518 -36.4518 -36.4264 -36.4264 -35.3128 -35.3128 -35.2708 -35.2708 -35.1628 -35.1628 -35.1543 -35.1543 -1.9046 -1.9046 -1.7667 -1.7667 5.0626 5.0626 6.5608 6.5608 7.3997 7.3997 7.4462 7.4462 7.8343 7.8343 7.9707 7.9707 10.2029 10.2029 11.2574 11.2574 11.5196 11.5196 11.6272 11.6272 11.6898 11.6898 11.9289 11.9289 12.0437 12.0437 12.5751 12.5751 13.6719 13.6719 k = 0.4425 0.3882-0.0000 ( 5506 PWs) bands (ev): -66.6325 -66.6325 -66.6307 -66.6307 -36.4518 -36.4518 -36.4264 -36.4264 -35.3128 -35.3128 -35.2709 -35.2709 -35.1629 -35.1629 -35.1543 -35.1543 -1.8986 -1.8986 -1.7615 -1.7615 5.0805 5.0805 6.5562 6.5562 7.3991 7.3991 7.4582 7.4582 7.8242 7.8242 7.8688 7.8688 10.2644 10.2644 11.2667 11.2667 11.5286 11.5286 11.6189 11.6189 11.6825 11.6825 11.9415 11.9415 12.0434 12.0434 12.5961 12.5961 13.6536 13.6536 k = 0.4368 0.3982-0.0000 ( 5496 PWs) bands (ev): -66.6321 -66.6321 -66.6293 -66.6293 -36.4517 -36.4517 -36.4264 -36.4264 -35.3128 -35.3128 -35.2709 -35.2709 -35.1629 -35.1629 -35.1543 -35.1543 -1.8921 -1.8921 -1.7559 -1.7559 5.1003 5.1003 6.5515 6.5515 7.3969 7.3969 7.4699 7.4699 7.7488 7.7488 7.8349 7.8349 10.3253 10.3253 11.2764 11.2764 11.5381 11.5381 11.6153 11.6153 11.6797 11.6797 11.9554 11.9554 12.0439 12.0439 12.6204 12.6204 13.6245 13.6245 k = 0.4310 0.4081-0.0000 ( 5494 PWs) bands (ev): -66.6318 -66.6318 -66.6293 -66.6293 -36.4518 -36.4518 -36.4265 -36.4265 -35.3128 -35.3128 -35.2709 -35.2709 -35.1630 -35.1630 -35.1543 -35.1543 -1.8850 -1.8850 -1.7502 -1.7502 5.1215 5.1215 6.5462 6.5462 7.3909 7.3909 7.4816 7.4816 7.6489 7.6489 7.8286 7.8286 10.3852 10.3852 11.2866 11.2866 11.5456 11.5456 11.6098 11.6098 11.6747 11.6747 11.9663 11.9663 12.0363 12.0363 12.6436 12.6436 13.5867 13.5867 k = 0.4253 0.4181-0.0000 ( 5498 PWs) bands (ev): -66.6325 -66.6325 -66.6293 -66.6293 -36.4518 -36.4518 -36.4265 -36.4265 -35.3128 -35.3128 -35.2709 -35.2709 -35.1630 -35.1630 -35.1544 -35.1544 -1.8775 -1.8775 -1.7443 -1.7443 5.1442 5.1442 6.5404 6.5404 7.3747 7.3747 7.4925 7.4925 7.5604 7.5604 7.8233 7.8233 10.4400 10.4400 11.2941 11.2941 11.5499 11.5499 11.6011 11.6011 11.6659 11.6659 11.9743 11.9743 12.0276 12.0276 12.6755 12.6755 13.5105 13.5105 k = 0.4195 0.4280-0.0000 ( 5490 PWs) bands (ev): -66.6317 -66.6317 -66.6286 -66.6286 -36.4518 -36.4518 -36.4265 -36.4265 -35.3128 -35.3128 -35.2709 -35.2709 -35.1631 -35.1631 -35.1544 -35.1544 -1.8696 -1.8696 -1.7385 -1.7385 5.1680 5.1680 6.5342 6.5342 7.3333 7.3333 7.4902 7.4902 7.5133 7.5133 7.8184 7.8184 10.4919 10.4919 11.3097 11.3097 11.5559 11.5559 11.5963 11.5963 11.6598 11.6598 11.9907 11.9907 12.0291 12.0291 12.6999 12.6999 13.4362 13.4362 k = 0.4138 0.4380-0.0000 ( 5480 PWs) bands (ev): -66.6300 -66.6300 -66.6286 -66.6286 -36.4518 -36.4518 -36.4265 -36.4265 -35.3128 -35.3128 -35.2709 -35.2709 -35.1631 -35.1631 -35.1545 -35.1545 -1.8612 -1.8612 -1.7326 -1.7326 5.1930 5.1930 6.5275 6.5275 7.2601 7.2601 7.4671 7.4671 7.5212 7.5212 7.8135 7.8135 10.5444 10.5444 11.3227 11.3227 11.5641 11.5641 11.5980 11.5980 11.6578 11.6578 11.9917 11.9917 12.0389 12.0389 12.7234 12.7234 13.3668 13.3668 k = 0.4080 0.4479-0.0000 ( 5480 PWs) bands (ev): -66.6300 -66.6300 -66.6286 -66.6286 -36.4518 -36.4518 -36.4265 -36.4265 -35.3128 -35.3128 -35.2709 -35.2709 -35.1631 -35.1631 -35.1545 -35.1545 -1.8525 -1.8525 -1.7271 -1.7271 5.2186 5.2186 6.5205 6.5205 7.1720 7.1720 7.4588 7.4588 7.5326 7.5326 7.8084 7.8084 10.5926 10.5926 11.3327 11.3327 11.5605 11.5605 11.5942 11.5942 11.6500 11.6500 11.9840 11.9840 12.0596 12.0596 12.7461 12.7461 13.3028 13.3028 k = 0.4023 0.4579-0.0000 ( 5480 PWs) bands (ev): -66.6300 -66.6300 -66.6285 -66.6285 -36.4518 -36.4518 -36.4265 -36.4265 -35.3128 -35.3128 -35.2709 -35.2709 -35.1632 -35.1632 -35.1545 -35.1545 -1.8435 -1.8435 -1.7217 -1.7217 5.2448 5.2448 6.5129 6.5129 7.0811 7.0811 7.4574 7.4574 7.5441 7.5441 7.8033 7.8033 10.6349 10.6349 11.3462 11.3462 11.5545 11.5545 11.5914 11.5914 11.6410 11.6410 11.9732 11.9732 12.0866 12.0866 12.7680 12.7680 13.2442 13.2442 k = 0.3966 0.4679-0.0000 ( 5472 PWs) bands (ev): -66.6300 -66.6300 -66.6271 -66.6271 -36.4518 -36.4518 -36.4266 -36.4266 -35.3127 -35.3127 -35.2709 -35.2709 -35.1632 -35.1632 -35.1546 -35.1546 -1.8342 -1.8342 -1.7168 -1.7168 5.2714 5.2714 6.5052 6.5052 6.9925 6.9925 7.4594 7.4594 7.5558 7.5558 7.7986 7.7986 10.6743 10.6743 11.3617 11.3617 11.5467 11.5467 11.5888 11.5888 11.6317 11.6317 11.9631 11.9631 12.1193 12.1193 12.7938 12.7938 13.1957 13.1957 k = 0.3908 0.4778-0.0000 ( 5476 PWs) bands (ev): -66.6314 -66.6314 -66.6264 -66.6264 -36.4518 -36.4518 -36.4266 -36.4266 -35.3127 -35.3127 -35.2709 -35.2709 -35.1633 -35.1633 -35.1546 -35.1546 -1.8246 -1.8246 -1.7125 -1.7125 5.2975 5.2975 6.4965 6.4965 6.9077 6.9077 7.4635 7.4635 7.5658 7.5658 7.7934 7.7934 10.7074 10.7074 11.3744 11.3744 11.5321 11.5321 11.5828 11.5828 11.6159 11.6159 11.9525 11.9525 12.1624 12.1624 12.8133 12.8133 13.1480 13.1480 k = 0.3851 0.4878-0.0000 ( 5492 PWs) bands (ev): -66.6328 -66.6328 -66.6277 -66.6277 -36.4518 -36.4518 -36.4266 -36.4266 -35.3128 -35.3128 -35.2710 -35.2710 -35.1634 -35.1634 -35.1546 -35.1546 -1.8149 -1.8149 -1.7088 -1.7088 5.3231 5.3231 6.4860 6.4860 6.8286 6.8286 7.4683 7.4683 7.5742 7.5742 7.7878 7.7878 10.7375 10.7375 11.3833 11.3833 11.5177 11.5177 11.5775 11.5775 11.6019 11.6019 11.9375 11.9375 12.1947 12.1947 12.8277 12.8277 13.0970 13.0970 k = 0.3793 0.4977-0.0000 ( 5492 PWs) bands (ev): -66.6321 -66.6321 -66.6284 -66.6284 -36.4519 -36.4519 -36.4267 -36.4267 -35.3128 -35.3128 -35.2710 -35.2710 -35.1634 -35.1634 -35.1547 -35.1547 -1.8050 -1.8050 -1.7059 -1.7059 5.3480 5.3480 6.4751 6.4751 6.7569 6.7569 7.4745 7.4745 7.5809 7.5809 7.7829 7.7829 10.7679 10.7679 11.3977 11.3977 11.5109 11.5109 11.5790 11.5790 11.5947 11.5947 11.9241 11.9241 12.2356 12.2356 12.8414 12.8414 13.0586 13.0586 k = 0.3736 0.5077-0.0000 ( 5488 PWs) bands (ev): -66.6327 -66.6327 -66.6270 -66.6270 -36.4519 -36.4519 -36.4267 -36.4267 -35.3128 -35.3128 -35.2710 -35.2710 -35.1635 -35.1635 -35.1547 -35.1547 -1.7951 -1.7951 -1.7039 -1.7039 5.3714 5.3714 6.4629 6.4629 6.6942 6.6942 7.4822 7.4822 7.5872 7.5872 7.7784 7.7784 10.7937 10.7937 11.4108 11.4108 11.5022 11.5022 11.5692 11.5692 11.5847 11.5847 11.9119 11.9119 12.2921 12.2921 12.8577 12.8577 13.0278 13.0278 k = 0.3678 0.5176-0.0000 ( 5492 PWs) bands (ev): -66.6335 -66.6335 -66.6270 -66.6270 -36.4519 -36.4519 -36.4267 -36.4267 -35.3128 -35.3128 -35.2710 -35.2710 -35.1636 -35.1636 -35.1547 -35.1547 -1.7851 -1.7851 -1.7030 -1.7030 5.3925 5.3925 6.4485 6.4485 6.6414 6.6414 7.4900 7.4900 7.5916 7.5916 7.7740 7.7740 10.8186 10.8186 11.4209 11.4209 11.4910 11.4910 11.5635 11.5635 11.5718 11.5718 11.8984 11.8984 12.3378 12.3378 12.8711 12.8711 12.9996 12.9996 k = 0.3621 0.5276-0.0000 ( 5488 PWs) bands (ev): -66.6332 -66.6332 -66.6266 -66.6266 -36.4519 -36.4519 -36.4267 -36.4267 -35.3128 -35.3128 -35.2710 -35.2710 -35.1636 -35.1636 -35.1548 -35.1548 -1.7750 -1.7750 -1.7032 -1.7032 5.4112 5.4112 6.4328 6.4328 6.6000 6.6000 7.4987 7.4987 7.5938 7.5938 7.7699 7.7699 10.8409 10.8409 11.4306 11.4306 11.4881 11.4881 11.5583 11.5583 11.5654 11.5654 11.8852 11.8852 12.3878 12.3878 12.8843 12.8843 12.9546 12.9546 k = 0.3563 0.5375-0.0000 ( 5488 PWs) bands (ev): -66.6339 -66.6339 -66.6259 -66.6259 -36.4519 -36.4519 -36.4267 -36.4267 -35.3128 -35.3128 -35.2710 -35.2710 -35.1636 -35.1636 -35.1548 -35.1548 -1.7651 -1.7651 -1.7048 -1.7048 5.4265 5.4265 6.4158 6.4158 6.5693 6.5693 7.5078 7.5078 7.5947 7.5947 7.7662 7.7662 10.8573 10.8573 11.4363 11.4363 11.4855 11.4855 11.5496 11.5496 11.5562 11.5562 11.8733 11.8733 12.4392 12.4392 12.8946 12.8946 12.8959 12.8959 k = 0.3506 0.5475-0.0000 ( 5484 PWs) bands (ev): -66.6332 -66.6332 -66.6259 -66.6259 -36.4519 -36.4519 -36.4267 -36.4267 -35.3128 -35.3128 -35.2710 -35.2710 -35.1637 -35.1637 -35.1548 -35.1548 -1.7553 -1.7553 -1.7078 -1.7078 5.4383 5.4383 6.3995 6.3995 6.5479 6.5479 7.5174 7.5174 7.5935 7.5935 7.7627 7.7627 10.8749 10.8749 11.4394 11.4394 11.4897 11.4897 11.5486 11.5486 11.5511 11.5511 11.8630 11.8630 12.4906 12.4906 12.8344 12.8344 12.9033 12.9033 k = 0.3448 0.5574-0.0000 ( 5480 PWs) bands (ev): -66.6332 -66.6332 -66.6252 -66.6252 -36.4519 -36.4519 -36.4267 -36.4267 -35.3128 -35.3128 -35.2710 -35.2710 -35.1637 -35.1637 -35.1548 -35.1548 -1.7457 -1.7457 -1.7123 -1.7123 5.4462 5.4462 6.3869 6.3869 6.5342 6.5342 7.5270 7.5270 7.5907 7.5907 7.7599 7.7599 10.8847 10.8847 11.4396 11.4396 11.4946 11.4946 11.5459 11.5459 11.5462 11.5462 11.8564 11.8564 12.5442 12.5442 12.7781 12.7781 12.9178 12.9178 k = 0.3391 0.5674-0.0000 ( 5480 PWs) bands (ev): -66.6332 -66.6332 -66.6252 -66.6252 -36.4519 -36.4519 -36.4267 -36.4267 -35.3128 -35.3128 -35.2710 -35.2710 -35.1637 -35.1637 -35.1548 -35.1548 -1.7364 -1.7364 -1.7185 -1.7185 5.4506 5.4506 6.3790 6.3790 6.5263 6.5263 7.5351 7.5351 7.5867 7.5867 7.7580 7.7580 10.8905 10.8905 11.4389 11.4389 11.4982 11.4982 11.5429 11.5429 11.5445 11.5445 11.8513 11.8513 12.5952 12.5952 12.7225 12.7225 12.9224 12.9224 k = 0.3333 0.5774-0.0000 ( 5484 PWs) bands (ev): -66.6339 -66.6339 -66.6252 -66.6252 -36.4519 -36.4519 -36.4268 -36.4268 -35.3127 -35.3127 -35.2710 -35.2710 -35.1637 -35.1637 -35.1548 -35.1548 -1.7294 -1.7294 -1.7244 -1.7244 5.4516 5.4516 6.3767 6.3767 6.5240 6.5240 7.5387 7.5387 7.5841 7.5841 7.7573 7.7573 10.8902 10.8902 11.4354 11.4354 11.4991 11.4991 11.5391 11.5391 11.5420 11.5420 11.8493 11.8493 12.6248 12.6248 12.6871 12.6871 12.9265 12.9265 k = 0.3333 0.5774-0.0000 ( 5484 PWs) bands (ev): -66.6339 -66.6339 -66.6252 -66.6252 -36.4519 -36.4519 -36.4268 -36.4268 -35.3127 -35.3127 -35.2710 -35.2710 -35.1637 -35.1637 -35.1548 -35.1548 -1.7294 -1.7294 -1.7244 -1.7244 5.4516 5.4516 6.3767 6.3767 6.5240 6.5240 7.5387 7.5387 7.5841 7.5841 7.7573 7.7573 10.8902 10.8902 11.4354 11.4354 11.4991 11.4991 11.5391 11.5391 11.5420 11.5420 11.8493 11.8493 12.6248 12.6248 12.6871 12.6871 12.9265 12.9265 k = 0.3276 0.5674-0.0000 ( 5476 PWs) bands (ev): -66.6325 -66.6325 -66.6252 -66.6252 -36.4519 -36.4519 -36.4267 -36.4267 -35.3128 -35.3128 -35.2710 -35.2710 -35.1637 -35.1637 -35.1548 -35.1548 -1.7372 -1.7372 -1.7177 -1.7177 5.4511 5.4511 6.3786 6.3786 6.5265 6.5265 7.5338 7.5338 7.5879 7.5879 7.7581 7.7581 10.8925 10.8925 11.4422 11.4422 11.4988 11.4988 11.5437 11.5437 11.5479 11.5479 11.8518 11.8518 12.5936 12.5936 12.7238 12.7238 12.9222 12.9223 k = 0.3218 0.5574-0.0000 ( 5476 PWs) bands (ev): -66.6325 -66.6325 -66.6252 -66.6252 -36.4519 -36.4519 -36.4267 -36.4267 -35.3128 -35.3128 -35.2710 -35.2710 -35.1636 -35.1636 -35.1548 -35.1548 -1.7489 -1.7489 -1.7095 -1.7095 5.4489 5.4489 6.3839 6.3839 6.5352 6.5352 7.5194 7.5194 7.5974 7.5974 7.7609 7.7609 10.8868 10.8868 11.4434 11.4434 11.4965 11.4965 11.5442 11.5442 11.5501 11.5501 11.8580 11.8580 12.5438 12.5438 12.7778 12.7778 12.9233 12.9233 k = 0.3161 0.5475-0.0000 ( 5476 PWs) bands (ev): -66.6325 -66.6325 -66.6252 -66.6252 -36.4519 -36.4519 -36.4267 -36.4267 -35.3127 -35.3127 -35.2710 -35.2710 -35.1636 -35.1636 -35.1548 -35.1548 -1.7628 -1.7628 -1.7015 -1.7015 5.4466 5.4466 6.3909 6.3909 6.5505 6.5505 7.4981 7.4981 7.6101 7.6101 7.7657 7.7657 10.8775 10.8775 11.4453 11.4453 11.4939 11.4939 11.5440 11.5440 11.5544 11.5544 11.8680 11.8680 12.4940 12.4940 12.8346 12.8346 12.9263 12.9263 k = 0.3103 0.5375-0.0000 ( 5478 PWs) bands (ev): -66.6328 -66.6328 -66.6252 -66.6252 -36.4519 -36.4519 -36.4267 -36.4267 -35.3127 -35.3127 -35.2710 -35.2710 -35.1636 -35.1636 -35.1547 -35.1547 -1.7789 -1.7789 -1.6940 -1.6940 5.4451 5.4451 6.3982 6.3982 6.5730 6.5730 7.4714 7.4714 7.6245 7.6245 7.7728 7.7728 10.8623 10.8623 11.4464 11.4464 11.4904 11.4904 11.5428 11.5428 11.5605 11.5605 11.8801 11.8801 12.4462 12.4462 12.8896 12.8896 12.9316 12.9316 k = 0.3046 0.5276-0.0000 ( 5472 PWs) bands (ev): -66.6318 -66.6318 -66.6252 -66.6252 -36.4518 -36.4518 -36.4267 -36.4267 -35.3127 -35.3127 -35.2710 -35.2710 -35.1635 -35.1635 -35.1547 -35.1547 -1.7970 -1.7970 -1.6869 -1.6869 5.4457 5.4457 6.4052 6.4052 6.6019 6.6019 7.4397 7.4397 7.6408 7.6408 7.7825 7.7825 10.8454 10.8454 11.4538 11.4538 11.4934 11.4934 11.5443 11.5443 11.5715 11.5715 11.8967 11.8967 12.4003 12.4003 12.9308 12.9308 12.9441 12.9441 k = 0.2989 0.5176-0.0000 ( 5478 PWs) bands (ev): -66.6321 -66.6321 -66.6258 -66.6258 -36.4518 -36.4518 -36.4267 -36.4267 -35.3127 -35.3127 -35.2710 -35.2710 -35.1635 -35.1635 -35.1547 -35.1547 -1.8173 -1.8173 -1.6805 -1.6805 5.4487 5.4487 6.4115 6.4115 6.6366 6.6366 7.4035 7.4035 7.6573 7.6573 7.7944 7.7944 10.8262 10.8262 11.4536 11.4536 11.4915 11.4915 11.5428 11.5428 11.5788 11.5788 11.9130 11.9130 12.3573 12.3573 12.9306 12.9306 12.9489 12.9489 k = 0.2931 0.5077-0.0000 ( 5486 PWs) bands (ev): -66.6314 -66.6314 -66.6280 -66.6280 -36.4519 -36.4519 -36.4266 -36.4266 -35.3128 -35.3128 -35.2709 -35.2709 -35.1634 -35.1634 -35.1547 -35.1547 -1.8398 -1.8398 -1.6747 -1.6747 5.4555 5.4555 6.4173 6.4173 6.6757 6.6757 7.3625 7.3625 7.6748 7.6748 7.8084 7.8084 10.8058 10.8058 11.4548 11.4548 11.4924 11.4924 11.5440 11.5440 11.5956 11.5956 11.9260 11.9260 12.3102 12.3102 12.9252 12.9252 12.9477 12.9477 k = 0.2874 0.4977-0.0000 ( 5486 PWs) bands (ev): -66.6307 -66.6307 -66.6287 -66.6287 -36.4519 -36.4519 -36.4266 -36.4266 -35.3128 -35.3128 -35.2709 -35.2709 -35.1633 -35.1633 -35.1547 -35.1547 -1.8643 -1.8643 -1.6695 -1.6695 5.4662 5.4662 6.4244 6.4244 6.7188 6.7188 7.3182 7.3182 7.6934 7.6934 7.8251 7.8251 10.7829 10.7829 11.4570 11.4570 11.4935 11.4935 11.5473 11.5473 11.6110 11.6110 11.9421 11.9421 12.2721 12.2721 12.9218 12.9218 12.9599 12.9599 k = 0.2816 0.4878-0.0000 ( 5490 PWs) bands (ev): -66.6307 -66.6307 -66.6294 -66.6294 -36.4518 -36.4518 -36.4266 -36.4266 -35.3128 -35.3128 -35.2709 -35.2709 -35.1633 -35.1633 -35.1547 -35.1547 -1.8910 -1.8910 -1.6648 -1.6648 5.4812 5.4812 6.4327 6.4327 6.7646 6.7646 7.2701 7.2701 7.7133 7.7133 7.8444 7.8444 10.7579 10.7579 11.4533 11.4533 11.4958 11.4958 11.5527 11.5527 11.6227 11.6227 11.9547 11.9547 12.2300 12.2300 12.9185 12.9185 12.9791 12.9791 k = 0.2759 0.4778-0.0000 ( 5486 PWs) bands (ev): -66.6308 -66.6308 -66.6288 -66.6288 -36.4518 -36.4518 -36.4265 -36.4265 -35.3128 -35.3128 -35.2709 -35.2709 -35.1632 -35.1632 -35.1545 -35.1545 -1.9198 -1.9198 -1.6610 -1.6610 5.5011 5.5011 6.4417 6.4417 6.8119 6.8119 7.2198 7.2198 7.7348 7.7348 7.8663 7.8663 10.7323 10.7323 11.4515 11.4515 11.4954 11.4954 11.5599 11.5599 11.6362 11.6362 11.9700 11.9700 12.2065 12.2065 12.9151 12.9151 12.9936 12.9936 k = 0.2701 0.4679-0.0000 ( 5480 PWs) bands (ev): -66.6304 -66.6304 -66.6281 -66.6281 -36.4518 -36.4518 -36.4265 -36.4265 -35.3127 -35.3127 -35.2708 -35.2708 -35.1631 -35.1631 -35.1544 -35.1544 -1.9505 -1.9505 -1.6578 -1.6578 5.5261 5.5261 6.4520 6.4520 6.8596 6.8596 7.1680 7.1680 7.7575 7.7575 7.8905 7.8905 10.7053 10.7053 11.4506 11.4506 11.4954 11.4954 11.5690 11.5690 11.6530 11.6530 11.9803 11.9803 12.1888 12.1888 12.9133 12.9133 13.0125 13.0125 k = 0.2644 0.4579-0.0000 ( 5484 PWs) bands (ev): -66.6319 -66.6319 -66.6275 -66.6275 -36.4517 -36.4517 -36.4264 -36.4264 -35.3127 -35.3127 -35.2708 -35.2708 -35.1630 -35.1630 -35.1543 -35.1543 -1.9831 -1.9831 -1.6554 -1.6554 5.5558 5.5558 6.4634 6.4634 6.9041 6.9041 7.1173 7.1173 7.7811 7.7811 7.9165 7.9165 10.6771 10.6771 11.4450 11.4450 11.4918 11.4918 11.5747 11.5747 11.6583 11.6583 11.9896 11.9896 12.1834 12.1834 12.9089 12.9089 13.0276 13.0276 k = 0.2586 0.4479-0.0000 ( 5478 PWs) bands (ev): -66.6308 -66.6308 -66.6275 -66.6275 -36.4517 -36.4517 -36.4264 -36.4264 -35.3127 -35.3127 -35.2708 -35.2708 -35.1628 -35.1628 -35.1542 -35.1542 -2.0176 -2.0176 -1.6537 -1.6537 5.5915 5.5915 6.4764 6.4764 6.9367 6.9367 7.0772 7.0772 7.8062 7.8062 7.9446 7.9446 10.6508 10.6508 11.4443 11.4443 11.4928 11.4928 11.5927 11.5927 11.6737 11.6737 11.9808 11.9808 12.1872 12.1872 12.9075 12.9075 13.0440 13.0440 k = 0.2529 0.4380-0.0000 ( 5484 PWs) bands (ev): -66.6312 -66.6312 -66.6283 -66.6283 -36.4517 -36.4517 -36.4263 -36.4263 -35.3127 -35.3127 -35.2708 -35.2708 -35.1627 -35.1627 -35.1541 -35.1541 -2.0537 -2.0537 -1.6528 -1.6528 5.6321 5.6321 6.4902 6.4902 6.9311 6.9311 7.0735 7.0735 7.8324 7.8324 7.9741 7.9741 10.6214 10.6214 11.4423 11.4423 11.4917 11.4917 11.6012 11.6012 11.6851 11.6851 11.9624 11.9624 12.2001 12.2001 12.9066 12.9066 13.0541 13.0541 k = 0.2471 0.4280-0.0000 ( 5476 PWs) bands (ev): -66.6306 -66.6306 -66.6276 -66.6276 -36.4516 -36.4516 -36.4263 -36.4263 -35.3126 -35.3126 -35.2707 -35.2707 -35.1626 -35.1626 -35.1540 -35.1540 -2.0914 -2.0914 -1.6526 -1.6526 5.6783 5.6783 6.5055 6.5055 6.8876 6.8876 7.1072 7.1072 7.8612 7.8612 8.0066 8.0066 10.5930 10.5930 11.4464 11.4464 11.4919 11.4919 11.6142 11.6142 11.6977 11.6977 11.9416 11.9416 12.2229 12.2229 12.9085 12.9085 13.0769 13.0769 k = 0.2414 0.4181-0.0000 ( 5474 PWs) bands (ev): -66.6303 -66.6303 -66.6276 -66.6276 -36.4516 -36.4516 -36.4262 -36.4262 -35.3126 -35.3126 -35.2706 -35.2706 -35.1624 -35.1624 -35.1539 -35.1539 -2.1306 -2.1306 -1.6532 -1.6532 5.7299 5.7299 6.5208 6.5208 6.8312 6.8312 7.1533 7.1533 7.8912 7.8912 8.0403 8.0403 10.5656 10.5656 11.4455 11.4455 11.4912 11.4912 11.6286 11.6286 11.7084 11.7084 11.9188 11.9188 12.2454 12.2454 12.9122 12.9122 13.0930 13.0930 k = 0.2356 0.4081-0.0000 ( 5474 PWs) bands (ev): -66.6310 -66.6310 -66.6270 -66.6270 -36.4515 -36.4515 -36.4261 -36.4261 -35.3125 -35.3125 -35.2706 -35.2706 -35.1623 -35.1623 -35.1537 -35.1537 -2.1711 -2.1711 -1.6546 -1.6546 5.7867 5.7867 6.5343 6.5343 6.7732 6.7732 7.2026 7.2026 7.9230 7.9230 8.0757 8.0757 10.5324 10.5324 11.4420 11.4420 11.4899 11.4899 11.6410 11.6410 11.7172 11.7172 11.9030 11.9030 12.2710 12.2710 12.9182 12.9182 13.1096 13.1096 k = 0.2299 0.3982-0.0000 ( 5474 PWs) bands (ev): -66.6310 -66.6310 -66.6270 -66.6270 -36.4514 -36.4514 -36.4261 -36.4261 -35.3125 -35.3125 -35.2706 -35.2706 -35.1621 -35.1621 -35.1535 -35.1535 -2.2127 -2.2127 -1.6567 -1.6567 5.8489 5.8489 6.5410 6.5410 6.7212 6.7212 7.2529 7.2529 7.9570 7.9570 8.1136 8.1136 10.5036 10.5036 11.4423 11.4423 11.4881 11.4881 11.6533 11.6533 11.7250 11.7250 11.8806 11.8806 12.2889 12.2889 12.9277 12.9277 13.1254 13.1254 k = 0.2241 0.3882-0.0000 ( 5474 PWs) bands (ev): -66.6304 -66.6304 -66.6278 -66.6278 -36.4514 -36.4514 -36.4260 -36.4260 -35.3125 -35.3125 -35.2705 -35.2705 -35.1619 -35.1619 -35.1534 -35.1534 -2.2554 -2.2554 -1.6596 -1.6596 5.9163 5.9163 6.5289 6.5289 6.6882 6.6882 7.3029 7.3029 7.9922 7.9922 8.1524 8.1524 10.4752 10.4752 11.4423 11.4423 11.4864 11.4864 11.6682 11.6682 11.7352 11.7352 11.8552 11.8552 12.3141 12.3141 12.9393 12.9393 13.1361 13.1361 k = 0.2184 0.3783-0.0000 ( 5484 PWs) bands (ev): -66.6314 -66.6314 -66.6285 -66.6285 -36.4514 -36.4514 -36.4259 -36.4259 -35.3125 -35.3125 -35.2705 -35.2705 -35.1618 -35.1618 -35.1533 -35.1533 -2.2990 -2.2990 -1.6631 -1.6631 5.9884 5.9884 6.4894 6.4894 6.6836 6.6836 7.3517 7.3517 8.0293 8.0293 8.1921 8.1921 10.4462 10.4462 11.4356 11.4356 11.4797 11.4797 11.6764 11.6764 11.7386 11.7386 11.8339 11.8339 12.3377 12.3377 12.9525 12.9525 13.1492 13.1492 k = 0.2126 0.3683-0.0000 ( 5496 PWs) bands (ev): -66.6322 -66.6322 -66.6300 -66.6300 -36.4513 -36.4513 -36.4258 -36.4258 -35.3125 -35.3125 -35.2705 -35.2705 -35.1616 -35.1616 -35.1532 -35.1532 -2.3433 -2.3433 -1.6674 -1.6674 6.0652 6.0652 6.4317 6.4317 6.6983 6.6983 7.3990 7.3990 8.0682 8.0682 8.2341 8.2341 10.4174 10.4174 11.4318 11.4318 11.4762 11.4762 11.6799 11.6799 11.7392 11.7392 11.8107 11.8107 12.3572 12.3572 12.9683 12.9683 13.1574 13.1574 k = 0.2069 0.3584-0.0000 ( 5502 PWs) bands (ev): -66.6333 -66.6333 -66.6300 -66.6300 -36.4513 -36.4513 -36.4258 -36.4258 -35.3124 -35.3124 -35.2704 -35.2704 -35.1615 -35.1615 -35.1530 -35.1530 -2.3883 -2.3883 -1.6723 -1.6723 6.1467 6.1467 6.3666 6.3666 6.7223 6.7223 7.4452 7.4452 8.1098 8.1098 8.2782 8.2782 10.3891 10.3891 11.4238 11.4238 11.4733 11.4733 11.6815 11.6815 11.7403 11.7403 11.7941 11.7941 12.3810 12.3810 12.9897 12.9897 13.1698 13.1698 k = 0.2011 0.3484-0.0000 ( 5500 PWs) bands (ev): -66.6333 -66.6333 -66.6297 -66.6297 -36.4512 -36.4512 -36.4257 -36.4257 -35.3124 -35.3124 -35.2704 -35.2704 -35.1613 -35.1613 -35.1528 -35.1528 -2.4336 -2.4336 -1.6779 -1.6779 6.2308 6.2308 6.3004 6.3004 6.7513 6.7513 7.4898 7.4898 8.1540 8.1540 8.3238 8.3238 10.3664 10.3664 11.4165 11.4165 11.4735 11.4735 11.6821 11.6821 11.7436 11.7436 11.7854 11.7854 12.4034 12.4034 13.0152 13.0152 13.1854 13.1854 k = 0.1954 0.3384-0.0000 ( 5508 PWs) bands (ev): -66.6341 -66.6341 -66.6304 -66.6304 -36.4511 -36.4511 -36.4256 -36.4256 -35.3124 -35.3124 -35.2703 -35.2703 -35.1611 -35.1611 -35.1526 -35.1526 -2.4793 -2.4793 -1.6840 -1.6840 6.2243 6.2243 6.3280 6.3280 6.7836 6.7836 7.5324 7.5324 8.1993 8.1993 8.3696 8.3696 10.3426 10.3426 11.4050 11.4050 11.4677 11.4677 11.6789 11.6789 11.7449 11.7449 11.7771 11.7771 12.4228 12.4228 13.0445 13.0445 13.1962 13.1962 k = 0.1897 0.3285-0.0000 ( 5500 PWs) bands (ev): -66.6335 -66.6335 -66.6298 -66.6298 -36.4511 -36.4511 -36.4255 -36.4255 -35.3123 -35.3123 -35.2702 -35.2702 -35.1608 -35.1608 -35.1524 -35.1524 -2.5251 -2.5251 -1.6907 -1.6907 6.1552 6.1552 6.4223 6.4223 6.8185 6.8185 7.5742 7.5742 8.2479 8.2479 8.4196 8.4196 10.3184 10.3184 11.3922 11.3922 11.4711 11.4711 11.6802 11.6802 11.7464 11.7464 11.7746 11.7746 12.4442 12.4442 13.0818 13.0818 13.2101 13.2101 k = 0.1839 0.3185-0.0000 ( 5498 PWs) bands (ev): -66.6335 -66.6335 -66.6295 -66.6295 -36.4510 -36.4510 -36.4254 -36.4254 -35.3122 -35.3122 -35.2702 -35.2702 -35.1606 -35.1606 -35.1522 -35.1522 -2.5709 -2.5709 -1.6978 -1.6978 6.0852 6.0852 6.5216 6.5216 6.8554 6.8554 7.6129 7.6129 8.2986 8.2986 8.4707 8.4707 10.2952 10.2952 11.3768 11.3768 11.4744 11.4744 11.6717 11.6717 11.7442 11.7442 11.7764 11.7764 12.4661 12.4661 13.1188 13.1188 13.2236 13.2236 k = 0.1782 0.3086-0.0000 ( 5506 PWs) bands (ev): -66.6343 -66.6343 -66.6302 -66.6302 -36.4509 -36.4509 -36.4253 -36.4253 -35.3122 -35.3122 -35.2701 -35.2701 -35.1604 -35.1604 -35.1521 -35.1521 -2.6166 -2.6166 -1.7055 -1.7055 6.0153 6.0153 6.6247 6.6247 6.8939 6.8939 7.6484 7.6484 8.3507 8.3507 8.5229 8.5229 10.2728 10.2728 11.3566 11.3566 11.4740 11.4740 11.6567 11.6567 11.7388 11.7388 11.7790 11.7790 12.4850 12.4850 13.1557 13.1557 13.2342 13.2342 k = 0.1724 0.2986-0.0000 ( 5510 PWs) bands (ev): -66.6344 -66.6344 -66.6309 -66.6309 -36.4509 -36.4509 -36.4252 -36.4252 -35.3122 -35.3122 -35.2701 -35.2701 -35.1602 -35.1602 -35.1519 -35.1519 -2.6620 -2.6620 -1.7136 -1.7136 5.9459 5.9459 6.7317 6.7317 6.9340 6.9340 7.6822 7.6822 8.4040 8.4040 8.5767 8.5767 10.2517 10.2517 11.3377 11.3377 11.4787 11.4787 11.6409 11.6409 11.7368 11.7368 11.7822 11.7822 12.5003 12.5003 13.1984 13.1984 13.2410 13.2410 k = 0.1667 0.2887-0.0000 ( 5506 PWs) bands (ev): -66.6344 -66.6344 -66.6303 -66.6303 -36.4508 -36.4508 -36.4251 -36.4251 -35.3121 -35.3121 -35.2700 -35.2700 -35.1600 -35.1600 -35.1516 -35.1516 -2.7070 -2.7070 -1.7221 -1.7221 5.8777 5.8777 6.8424 6.8424 6.9753 6.9753 7.7141 7.7141 8.4609 8.4609 8.6339 8.6339 10.2317 10.2317 11.3176 11.3176 11.4856 11.4856 11.6257 11.6257 11.7351 11.7351 11.7841 11.7841 12.5203 12.5203 13.2440 13.2440 13.2541 13.2541 k = 0.1609 0.2787-0.0000 ( 5504 PWs) bands (ev): -66.6349 -66.6349 -66.6296 -66.6296 -36.4507 -36.4507 -36.4250 -36.4250 -35.3121 -35.3121 -35.2699 -35.2699 -35.1598 -35.1598 -35.1514 -35.1514 -2.7516 -2.7516 -1.7308 -1.7308 5.8106 5.8106 6.9563 6.9563 7.0175 7.0175 7.7433 7.7433 8.5195 8.5195 8.6916 8.6916 10.2127 10.2127 11.3015 11.3015 11.4908 11.4908 11.6067 11.6067 11.7359 11.7359 11.7835 11.7835 12.5402 12.5402 13.2594 13.2594 13.2959 13.2959 k = 0.1552 0.2688-0.0000 ( 5506 PWs) bands (ev): -66.6353 -66.6353 -66.6296 -66.6296 -36.4506 -36.4506 -36.4249 -36.4249 -35.3120 -35.3120 -35.2699 -35.2699 -35.1595 -35.1595 -35.1512 -35.1512 -2.7955 -2.7955 -1.7399 -1.7399 5.7448 5.7448 7.0595 7.0595 7.0736 7.0736 7.7711 7.7711 8.5801 8.5801 8.7510 8.7510 10.1938 10.1938 11.2794 11.2794 11.4959 11.4959 11.5913 11.5913 11.7345 11.7345 11.7772 11.7772 12.5555 12.5555 13.2581 13.2581 13.3400 13.3400 k = 0.1494 0.2588-0.0000 ( 5508 PWs) bands (ev): -66.6350 -66.6350 -66.6304 -66.6304 -36.4506 -36.4506 -36.4248 -36.4248 -35.3120 -35.3120 -35.2698 -35.2698 -35.1593 -35.1593 -35.1510 -35.1510 -2.8387 -2.8387 -1.7491 -1.7491 5.6805 5.6805 7.1037 7.1037 7.1929 7.1929 7.7970 7.7970 8.6428 8.6428 8.8117 8.8117 10.1756 10.1756 11.2528 11.2528 11.4985 11.4985 11.5757 11.5757 11.7333 11.7333 11.7740 11.7740 12.5676 12.5676 13.2327 13.2327 13.3333 13.3333 k = 0.1437 0.2489-0.0000 ( 5508 PWs) bands (ev): -66.6358 -66.6358 -66.6297 -66.6297 -36.4505 -36.4505 -36.4247 -36.4247 -35.3119 -35.3119 -35.2697 -35.2697 -35.1591 -35.1591 -35.1508 -35.1508 -2.8810 -2.8810 -1.7585 -1.7585 5.6179 5.6179 7.1479 7.1479 7.3146 7.3146 7.8200 7.8200 8.7085 8.7085 8.8750 8.8750 10.1602 10.1602 11.2319 11.2319 11.4997 11.4997 11.5546 11.5546 11.7335 11.7335 11.7679 11.7679 12.5810 12.5810 13.1809 13.1809 13.3435 13.3435 k = 0.1379 0.2389-0.0000 ( 5512 PWs) bands (ev): -66.6366 -66.6366 -66.6297 -66.6297 -36.4504 -36.4504 -36.4246 -36.4246 -35.3119 -35.3119 -35.2697 -35.2697 -35.1589 -35.1589 -35.1506 -35.1506 -2.9224 -2.9224 -1.7681 -1.7681 5.5569 5.5569 7.1923 7.1923 7.4378 7.4378 7.8423 7.8423 8.7750 8.7750 8.9394 8.9394 10.1435 10.1435 11.2079 11.2079 11.4962 11.4962 11.5410 11.5410 11.7284 11.7284 11.7582 11.7582 12.5935 12.5935 13.1168 13.1168 13.3607 13.3607 k = 0.1322 0.2289-0.0000 ( 5512 PWs) bands (ev): -66.6367 -66.6367 -66.6298 -66.6298 -36.4503 -36.4503 -36.4245 -36.4245 -35.3118 -35.3118 -35.2696 -35.2696 -35.1586 -35.1586 -35.1504 -35.1504 -2.9628 -2.9628 -1.7777 -1.7777 5.4977 5.4977 7.2368 7.2368 7.5611 7.5611 7.8649 7.8649 8.8434 8.8434 9.0056 9.0056 10.1303 10.1303 11.1855 11.1855 11.4840 11.4840 11.5367 11.5367 11.7240 11.7240 11.7498 11.7498 12.6053 12.6053 13.0465 13.0465 13.3831 13.3831 k = 0.1264 0.2190-0.0000 ( 5510 PWs) bands (ev): -66.6367 -66.6367 -66.6294 -66.6294 -36.4503 -36.4503 -36.4244 -36.4244 -35.3118 -35.3118 -35.2695 -35.2695 -35.1584 -35.1584 -35.1502 -35.1502 -3.0020 -3.0020 -1.7873 -1.7873 5.4405 5.4405 7.2811 7.2811 7.6807 7.6807 7.8912 7.8912 8.9133 8.9133 9.0733 9.0733 10.1183 10.1183 11.1665 11.1665 11.4653 11.4653 11.5385 11.5385 11.7128 11.7128 11.7457 11.7457 12.6178 12.6178 12.9719 12.9719 13.4092 13.4092 k = 0.1207 0.2090-0.0000 ( 5514 PWs) bands (ev): -66.6382 -66.6382 -66.6288 -66.6288 -36.4502 -36.4502 -36.4243 -36.4243 -35.3117 -35.3117 -35.2695 -35.2695 -35.1582 -35.1582 -35.1500 -35.1500 -3.0401 -3.0401 -1.7969 -1.7969 5.3853 5.3853 7.3244 7.3244 7.7840 7.7840 7.9322 7.9322 8.9858 8.9858 9.1440 9.1440 10.1067 10.1067 11.1435 11.1435 11.4392 11.4392 11.5431 11.5431 11.6925 11.6925 11.7440 11.7440 12.6283 12.6283 12.8954 12.8954 13.4362 13.4362 k = 0.1149 0.1991-0.0000 ( 5509 PWs) bands (ev): -66.6381 -66.6381 -66.6281 -66.6281 -36.4501 -36.4501 -36.4242 -36.4242 -35.3116 -35.3116 -35.2694 -35.2694 -35.1580 -35.1580 -35.1497 -35.1497 -3.0769 -3.0769 -1.8064 -1.8064 5.3323 5.3323 7.3681 7.3681 7.8467 7.8467 8.0160 8.0160 9.0596 9.0596 9.2157 9.2157 10.0973 10.0973 11.1222 11.1222 11.4187 11.4187 11.5486 11.5486 11.6710 11.6710 11.7446 11.7446 12.6381 12.6381 12.8151 12.8151 13.4703 13.4703 k = 0.1092 0.1891-0.0000 ( 5501 PWs) bands (ev): -66.6368 -66.6368 -66.6282 -66.6282 -36.4500 -36.4500 -36.4241 -36.4241 -35.3116 -35.3116 -35.2693 -35.2693 -35.1577 -35.1577 -35.1495 -35.1495 -3.1123 -3.1123 -1.8157 -1.8157 5.2813 5.2813 7.4123 7.4123 7.8753 7.8753 8.1332 8.1332 9.1341 9.1341 9.2884 9.2884 10.0900 10.0900 11.1016 11.1016 11.3962 11.3962 11.5549 11.5549 11.6495 11.6495 11.7469 11.7469 12.6467 12.6467 12.7332 12.7332 13.5132 13.5132 k = 0.1034 0.1792-0.0000 ( 5501 PWs) bands (ev): -66.6368 -66.6368 -66.6282 -66.6282 -36.4500 -36.4500 -36.4240 -36.4240 -35.3115 -35.3115 -35.2693 -35.2693 -35.1575 -35.1575 -35.1494 -35.1494 -3.1462 -3.1462 -1.8249 -1.8249 5.2326 5.2326 7.4542 7.4542 7.8917 7.8917 8.2608 8.2608 9.2097 9.2097 9.3624 9.3624 10.0828 10.0828 11.0816 11.0816 11.3713 11.3713 11.5577 11.5577 11.6214 11.6214 11.7483 11.7483 12.6478 12.6478 12.6551 12.6551 13.5532 13.5532 k = 0.0977 0.1692-0.0000 ( 5497 PWs) bands (ev): -66.6362 -66.6362 -66.6282 -66.6282 -36.4499 -36.4499 -36.4239 -36.4239 -35.3115 -35.3115 -35.2692 -35.2692 -35.1573 -35.1573 -35.1492 -35.1492 -3.1787 -3.1787 -1.8339 -1.8339 5.1863 5.1863 7.4956 7.4956 7.9036 7.9036 8.3929 8.3929 9.2864 9.2864 9.4378 9.4378 10.0777 10.0777 11.0623 11.0623 11.3477 11.3477 11.5560 11.5560 11.5958 11.5958 11.7499 11.7499 12.5622 12.5622 12.6620 12.6620 13.5994 13.5994 k = 0.0920 0.1593-0.0000 ( 5497 PWs) bands (ev): -66.6356 -66.6356 -66.6289 -66.6289 -36.4499 -36.4499 -36.4238 -36.4238 -35.3115 -35.3115 -35.2691 -35.2691 -35.1571 -35.1571 -35.1490 -35.1490 -3.2096 -3.2096 -1.8426 -1.8426 5.1418 5.1418 7.5357 7.5357 7.9125 7.9125 8.5258 8.5258 9.3634 9.3634 9.5137 9.5137 10.0740 10.0740 11.0475 11.0475 11.3212 11.3212 11.5383 11.5383 11.5809 11.5809 11.7542 11.7542 12.4748 12.4748 12.6589 12.6589 13.6495 13.6495 k = 0.0862 0.1493-0.0000 ( 5493 PWs) bands (ev): -66.6356 -66.6356 -66.6282 -66.6282 -36.4498 -36.4498 -36.4237 -36.4237 -35.3114 -35.3114 -35.2691 -35.2691 -35.1569 -35.1569 -35.1488 -35.1488 -3.2389 -3.2389 -1.8509 -1.8509 5.1004 5.1004 7.5740 7.5740 7.9201 7.9201 8.6585 8.6585 9.4423 9.4423 9.5923 9.5923 10.0717 10.0717 11.0300 11.0300 11.2948 11.2948 11.5068 11.5068 11.5776 11.5776 11.7557 11.7557 12.3883 12.3883 12.6681 12.6681 13.7014 13.7014 k = 0.0805 0.1394-0.0000 ( 5485 PWs) bands (ev): -66.6349 -66.6349 -66.6275 -66.6275 -36.4497 -36.4497 -36.4236 -36.4236 -35.3114 -35.3114 -35.2690 -35.2690 -35.1567 -35.1567 -35.1487 -35.1487 -3.2666 -3.2666 -1.8590 -1.8590 5.0614 5.0614 7.6107 7.6107 7.9264 7.9264 8.7901 8.7901 9.5218 9.5218 9.6723 9.6723 10.0720 10.0720 11.0156 11.0156 11.2681 11.2681 11.4703 11.4703 11.5760 11.5760 11.7651 11.7651 12.3024 12.3024 12.6741 12.6741 13.7570 13.7570 k = 0.0747 0.1294-0.0000 ( 5493 PWs) bands (ev): -66.6357 -66.6357 -66.6282 -66.6282 -36.4497 -36.4497 -36.4235 -36.4235 -35.3113 -35.3113 -35.2689 -35.2689 -35.1565 -35.1565 -35.1485 -35.1485 -3.2925 -3.2925 -1.8666 -1.8666 5.0248 5.0248 7.6442 7.6442 7.9315 7.9315 8.9193 8.9193 9.5990 9.5990 9.7507 9.7507 10.0743 10.0743 10.9995 10.9995 11.2382 11.2382 11.4269 11.4269 11.5679 11.5679 11.7635 11.7635 12.2150 12.2150 12.6773 12.6773 13.8109 13.8109 k = 0.0690 0.1195-0.0000 ( 5501 PWs) bands (ev): -66.6364 -66.6364 -66.6289 -66.6289 -36.4496 -36.4496 -36.4235 -36.4235 -35.3113 -35.3113 -35.2689 -35.2689 -35.1564 -35.1564 -35.1484 -35.1484 -3.3167 -3.3167 -1.8738 -1.8738 4.9906 4.9906 7.6755 7.6755 7.9356 7.9356 9.0454 9.0454 9.6760 9.6760 9.8307 9.8307 10.0805 10.0805 10.9800 10.9800 11.2057 11.2057 11.3810 11.3810 11.5625 11.5625 11.7565 11.7565 12.1339 12.1339 12.6819 12.6819 13.8693 13.8693 k = 0.0632 0.1095-0.0000 ( 5497 PWs) bands (ev): -66.6364 -66.6364 -66.6283 -66.6283 -36.4496 -36.4496 -36.4234 -36.4234 -35.3113 -35.3113 -35.2689 -35.2689 -35.1563 -35.1563 -35.1482 -35.1482 -3.3391 -3.3391 -1.8806 -1.8806 4.9592 4.9592 7.7049 7.7049 7.9403 7.9403 9.1672 9.1672 9.7520 9.7520 9.9124 9.9124 10.0923 10.0923 10.9691 10.9691 11.1736 11.1736 11.3357 11.3357 11.5531 11.5531 11.7578 11.7578 12.0574 12.0574 12.6894 12.6894 13.9326 13.9326 k = 0.0575 0.0995-0.0000 ( 5495 PWs) bands (ev): -66.6361 -66.6361 -66.6283 -66.6283 -36.4495 -36.4495 -36.4233 -36.4233 -35.3112 -35.3112 -35.2688 -35.2688 -35.1561 -35.1561 -35.1481 -35.1481 -3.3597 -3.3597 -1.8868 -1.8868 4.9303 4.9303 7.7320 7.7320 7.9453 7.9453 9.2840 9.2840 9.8243 9.8243 9.9939 9.9939 10.1120 10.1120 10.9564 10.9564 11.1405 11.1405 11.2898 11.2898 11.5337 11.5337 11.7582 11.7582 11.9859 11.9859 12.6929 12.6929 14.0006 14.0006 k = 0.0517 0.0896-0.0000 ( 5497 PWs) bands (ev): -66.6357 -66.6357 -66.6290 -66.6290 -36.4495 -36.4495 -36.4233 -36.4233 -35.3112 -35.3112 -35.2688 -35.2688 -35.1560 -35.1560 -35.1480 -35.1480 -3.3784 -3.3784 -1.8926 -1.8926 4.9041 4.9041 7.7557 7.7557 7.9504 7.9504 9.3927 9.3927 9.8906 9.8906 10.0749 10.0749 10.1424 10.1424 10.9402 10.9402 11.1044 11.1044 11.2420 11.2420 11.5045 11.5045 11.7581 11.7581 11.9255 11.9255 12.6942 12.6942 14.0698 14.0698 k = 0.0460 0.0796-0.0000 ( 5501 PWs) bands (ev): -66.6358 -66.6358 -66.6297 -66.6297 -36.4495 -36.4495 -36.4232 -36.4232 -35.3112 -35.3112 -35.2687 -35.2687 -35.1558 -35.1558 -35.1479 -35.1479 -3.3952 -3.3952 -1.8978 -1.8978 4.8806 4.8806 7.7760 7.7760 7.9549 7.9549 9.4906 9.4906 9.9497 9.9497 10.1546 10.1546 10.1864 10.1864 10.9289 10.9289 11.0633 11.0633 11.1928 11.1928 11.4621 11.4621 11.7581 11.7581 11.8772 11.8772 12.6970 12.6970 14.1397 14.1397 k = 0.0402 0.0697-0.0000 ( 5497 PWs) bands (ev): -66.6358 -66.6358 -66.6290 -66.6290 -36.4494 -36.4494 -36.4232 -36.4232 -35.3112 -35.3112 -35.2687 -35.2687 -35.1557 -35.1557 -35.1478 -35.1478 -3.4101 -3.4101 -1.9025 -1.9025 4.8599 4.8599 7.7936 7.7936 7.9610 7.9610 9.5760 9.5760 10.0037 10.0037 10.2302 10.2302 10.2510 10.2510 10.9211 10.9211 11.0238 11.0238 11.1445 11.1445 11.4101 11.4101 11.7580 11.7580 11.8419 11.8419 12.6994 12.6994 14.2114 14.2114 k = 0.0345 0.0597-0.0000 ( 5497 PWs) bands (ev): -66.6357 -66.6357 -66.6290 -66.6290 -36.4494 -36.4494 -36.4231 -36.4231 -35.3112 -35.3112 -35.2687 -35.2687 -35.1556 -35.1556 -35.1478 -35.1478 -3.4231 -3.4231 -1.9066 -1.9066 4.8418 4.8418 7.8078 7.8078 7.9667 7.9667 9.6461 9.6461 10.0558 10.0558 10.3011 10.3011 10.3296 10.3296 10.9125 10.9125 10.9802 10.9802 11.0945 11.0945 11.3464 11.3464 11.7573 11.7573 11.8180 11.8180 12.7015 12.7015 14.2831 14.2831 k = 0.0287 0.0498-0.0000 ( 5505 PWs) bands (ev): -66.6357 -66.6357 -66.6304 -66.6304 -36.4494 -36.4494 -36.4231 -36.4231 -35.3112 -35.3112 -35.2687 -35.2687 -35.1556 -35.1556 -35.1477 -35.1477 -3.4341 -3.4341 -1.9100 -1.9100 4.8264 4.8264 7.8183 7.8183 7.9715 7.9715 9.6998 9.6998 10.1088 10.1088 10.3727 10.3727 10.4097 10.4097 10.9021 10.9021 10.9339 10.9339 11.0412 11.0412 11.2715 11.2715 11.7559 11.7559 11.8027 11.8027 12.7021 12.7021 14.3523 14.3523 k = 0.0230 0.0398-0.0000 ( 5515 PWs) bands (ev): -66.6364 -66.6364 -66.6314 -66.6314 -36.4494 -36.4494 -36.4231 -36.4231 -35.3112 -35.3112 -35.2687 -35.2687 -35.1555 -35.1555 -35.1477 -35.1477 -3.4431 -3.4431 -1.9129 -1.9129 4.8137 4.8137 7.8258 7.8258 7.9759 7.9759 9.7379 9.7379 10.1639 10.1639 10.4460 10.4460 10.4911 10.4911 10.8766 10.8766 10.9024 10.9024 10.9858 10.9858 11.1944 11.1944 11.7514 11.7514 11.7920 11.7920 12.7023 12.7023 14.4139 14.4139 k = 0.0172 0.0299-0.0000 ( 5519 PWs) bands (ev): -66.6370 -66.6370 -66.6314 -66.6314 -36.4494 -36.4494 -36.4231 -36.4231 -35.3112 -35.3112 -35.2687 -35.2687 -35.1555 -35.1555 -35.1477 -35.1477 -3.4502 -3.4502 -1.9152 -1.9152 4.8040 4.8040 7.8318 7.8318 7.9803 7.9803 9.7634 9.7634 10.2185 10.2185 10.5213 10.5213 10.5713 10.5713 10.8383 10.8383 10.8934 10.8934 10.9303 10.9303 11.1141 11.1141 11.7476 11.7476 11.7847 11.7847 12.7016 12.7016 14.4676 14.4676 k = 0.0115 0.0199-0.0000 ( 5519 PWs) bands (ev): -66.6370 -66.6370 -66.6315 -66.6315 -36.4494 -36.4494 -36.4230 -36.4230 -35.3112 -35.3112 -35.2686 -35.2686 -35.1555 -35.1555 -35.1476 -35.1476 -3.4552 -3.4552 -1.9168 -1.9168 4.7970 4.7970 7.8355 7.8355 7.9832 7.9832 9.7808 9.7808 10.2666 10.2666 10.5941 10.5941 10.6447 10.6447 10.8079 10.8079 10.8716 10.8716 10.8899 10.8899 11.0348 11.0348 11.7488 11.7488 11.7842 11.7842 12.7018 12.7018 14.5073 14.5073 k = 0.0057 0.0100-0.0000 ( 5523 PWs) bands (ev): -66.6377 -66.6377 -66.6315 -66.6315 -36.4494 -36.4494 -36.4230 -36.4230 -35.3112 -35.3112 -35.2687 -35.2687 -35.1555 -35.1555 -35.1476 -35.1476 -3.4582 -3.4582 -1.9177 -1.9177 4.7928 4.7928 7.8376 7.8376 7.9852 7.9852 9.7898 9.7898 10.3007 10.3007 10.6626 10.6626 10.6925 10.6925 10.8104 10.8104 10.8123 10.8123 10.8843 10.8843 10.9598 10.9598 11.7447 11.7447 11.7779 11.7779 12.7023 12.7023 14.5292 14.5292 k = 0.0000 0.0000 0.0000 ( 5515 PWs) bands (ev): -66.6362 -66.6362 -66.6315 -66.6315 -36.4494 -36.4494 -36.4230 -36.4230 -35.3112 -35.3112 -35.2686 -35.2686 -35.1554 -35.1554 -35.1476 -35.1476 -3.4592 -3.4592 -1.9181 -1.9181 4.7914 4.7914 7.8402 7.8402 7.9880 7.9880 9.7937 9.7937 10.3133 10.3133 10.7058 10.7058 10.7103 10.7103 10.7705 10.7705 10.8492 10.8492 10.8642 10.8642 10.9201 10.9201 11.7446 11.7446 11.7775 11.7775 12.7024 12.7024 14.5439 14.5439 k = 0.0000 0.0000 0.0000 ( 5515 PWs) bands (ev): -66.6362 -66.6362 -66.6315 -66.6315 -36.4494 -36.4494 -36.4230 -36.4230 -35.3112 -35.3112 -35.2686 -35.2686 -35.1554 -35.1554 -35.1476 -35.1476 -3.4592 -3.4592 -1.9181 -1.9181 4.7914 4.7914 7.8402 7.8402 7.9880 7.9880 9.7937 9.7937 10.3133 10.3133 10.7058 10.7058 10.7103 10.7103 10.7705 10.7705 10.8492 10.8492 10.8642 10.8642 10.9201 10.9201 11.7446 11.7446 11.7775 11.7775 12.7024 12.7024 14.5439 14.5439 k = 0.0000 0.0000 0.0114 ( 5521 PWs) bands (ev): -66.6373 -66.6373 -66.6315 -66.6315 -36.4493 -36.4493 -36.4230 -36.4230 -35.3112 -35.3112 -35.2687 -35.2687 -35.1555 -35.1555 -35.1476 -35.1476 -3.4582 -3.4582 -1.9199 -1.9199 4.7952 4.7952 7.8395 7.8395 7.9871 7.9871 9.7904 9.7904 10.3035 10.3035 10.6930 10.6930 10.7082 10.7082 10.7298 10.7298 10.8280 10.8280 10.9147 10.9147 10.9485 10.9485 11.7460 11.7460 11.7795 11.7795 12.6988 12.6988 14.5347 14.5347 k = 0.0000 0.0000 0.0227 ( 5533 PWs) bands (ev): -66.6394 -66.6394 -66.6315 -66.6315 -36.4493 -36.4493 -36.4231 -36.4231 -35.3110 -35.3110 -35.2689 -35.2689 -35.1555 -35.1555 -35.1476 -35.1476 -3.4553 -3.4553 -1.9254 -1.9254 4.8066 4.8066 7.8424 7.8424 7.9900 7.9900 9.7754 9.7754 10.2753 10.2753 10.6266 10.6266 10.7096 10.7096 10.7154 10.7154 10.7938 10.7938 10.9935 10.9935 11.0015 11.0015 11.7337 11.7337 11.7690 11.7690 12.6880 12.6880 14.5278 14.5278 k = 0.0000 0.0000 0.0341 ( 5509 PWs) bands (ev): -66.6374 -66.6374 -66.6294 -66.6294 -36.4491 -36.4491 -36.4232 -36.4232 -35.3108 -35.3108 -35.2690 -35.2690 -35.1554 -35.1554 -35.1476 -35.1476 -3.4504 -3.4504 -1.9346 -1.9346 4.8259 4.8259 7.8500 7.8500 7.9977 7.9977 9.7545 9.7545 10.2334 10.2334 10.5442 10.5442 10.7213 10.7213 10.7251 10.7251 10.7615 10.7615 11.0665 11.0665 11.0762 11.0762 11.7467 11.7467 11.7854 11.7854 12.6718 12.6718 14.5246 14.5246 k = 0.0000 0.0000 0.0455 ( 5509 PWs) bands (ev): -66.6374 -66.6374 -66.6294 -66.6294 -36.4490 -36.4490 -36.4234 -36.4234 -35.3106 -35.3106 -35.2692 -35.2692 -35.1554 -35.1554 -35.1477 -35.1477 -3.4435 -3.4435 -1.9473 -1.9473 4.8524 4.8524 7.8575 7.8575 8.0052 8.0052 9.7238 9.7238 10.1812 10.1812 10.4580 10.4580 10.7260 10.7260 10.7293 10.7293 10.7306 10.7306 11.1331 11.1331 11.1543 11.1543 11.7486 11.7486 11.7926 11.7926 12.6473 12.6473 14.5123 14.5123 k = 0.0000 0.0000 0.0569 ( 5527 PWs) bands (ev): -66.6374 -66.6374 -66.6326 -66.6326 -36.4488 -36.4488 -36.4235 -36.4235 -35.3103 -35.3103 -35.2696 -35.2696 -35.1553 -35.1553 -35.1478 -35.1478 -3.4347 -3.4347 -1.9634 -1.9634 4.8860 4.8860 7.8652 7.8652 8.0129 8.0129 9.6824 9.6824 10.1213 10.1213 10.3687 10.3687 10.7017 10.7017 10.7225 10.7225 10.7258 10.7258 11.1951 11.1951 11.2222 11.2222 11.7527 11.7527 11.8044 11.8044 12.6163 12.6163 14.4934 14.4934 k = 0.0000 0.0000 0.0682 ( 5504 PWs) bands (ev): -66.6354 -66.6354 -66.6306 -66.6306 -36.4485 -36.4485 -36.4237 -36.4237 -35.3099 -35.3099 -35.2699 -35.2699 -35.1551 -35.1551 -35.1479 -35.1479 -3.4238 -3.4238 -1.9828 -1.9828 4.9284 4.9284 7.8790 7.8790 8.0269 8.0269 9.6297 9.6297 10.0584 10.0584 10.2831 10.2831 10.6776 10.6776 10.7347 10.7347 10.7379 10.7379 11.2604 11.2604 11.2875 11.2875 11.7682 11.7682 11.8299 11.8299 12.6058 12.6058 14.4813 14.4813 k = 0.0000 0.0000 0.0796 ( 5498 PWs) bands (ev): -66.6354 -66.6354 -66.6296 -66.6296 -36.4482 -36.4482 -36.4240 -36.4240 -35.3094 -35.3094 -35.2704 -35.2704 -35.1551 -35.1551 -35.1479 -35.1479 -3.4111 -3.4111 -2.0054 -2.0054 4.9765 4.9765 7.8936 7.8936 8.0415 8.0415 9.5654 9.5654 9.9924 9.9924 10.1982 10.1982 10.6582 10.6582 10.7464 10.7464 10.7493 10.7493 11.3218 11.3218 11.3441 11.3441 11.7842 11.7842 11.8586 11.8586 12.5631 12.5631 14.4597 14.4597 k = 0.0000 0.0000 0.0910 ( 5504 PWs) bands (ev): -66.6354 -66.6354 -66.6308 -66.6308 -36.4479 -36.4479 -36.4243 -36.4243 -35.3089 -35.3089 -35.2710 -35.2710 -35.1550 -35.1550 -35.1480 -35.1480 -3.3965 -3.3965 -2.0310 -2.0310 5.0308 5.0308 7.9093 7.9093 8.0573 8.0573 9.4900 9.4900 9.9234 9.9234 10.1133 10.1133 10.6444 10.6444 10.7546 10.7546 10.7575 10.7575 11.3717 11.3717 11.3864 11.3864 11.8104 11.8104 11.8989 11.8989 12.5042 12.5042 14.4330 14.4330 k = 0.0000 0.0000 0.1024 ( 5486 PWs) bands (ev): -66.6353 -66.6353 -66.6278 -66.6278 -36.4474 -36.4474 -36.4247 -36.4247 -35.3083 -35.3083 -35.2716 -35.2716 -35.1549 -35.1549 -35.1480 -35.1480 -3.3801 -3.3801 -2.0593 -2.0593 5.0923 5.0923 7.9288 7.9288 8.0768 8.0768 9.4043 9.4043 9.8542 9.8542 10.0329 10.0329 10.6375 10.6375 10.7717 10.7717 10.7743 10.7743 11.4176 11.4176 11.4231 11.4231 11.8496 11.8496 11.9517 11.9517 12.4566 12.4566 14.4056 14.4056 k = 0.0000 0.0000 0.1137 ( 5492 PWs) bands (ev): -66.6352 -66.6352 -66.6291 -66.6291 -36.4470 -36.4470 -36.4251 -36.4251 -35.3077 -35.3077 -35.2722 -35.2722 -35.1547 -35.1547 -35.1482 -35.1482 -3.3617 -3.3617 -2.0902 -2.0902 5.1599 5.1599 7.9484 7.9484 8.0965 8.0965 9.3090 9.3090 9.7807 9.7807 9.9496 9.9496 10.6370 10.6370 10.7807 10.7807 10.7833 10.7833 11.4391 11.4391 11.4402 11.4402 11.9024 11.9024 12.0156 12.0156 12.3977 12.3977 14.3716 14.3716 k = 0.0000 0.0000 0.1251 ( 5486 PWs) bands (ev): -66.6351 -66.6351 -66.6282 -66.6282 -36.4466 -36.4466 -36.4255 -36.4255 -35.3070 -35.3070 -35.2730 -35.2730 -35.1546 -35.1546 -35.1483 -35.1483 -3.3415 -3.3415 -2.1235 -2.1235 5.2342 5.2342 7.9716 7.9716 8.1198 8.1198 9.2053 9.2053 9.7062 9.7062 9.8681 9.8681 10.6431 10.6431 10.7978 10.7978 10.8002 10.8002 11.4465 11.4465 11.4520 11.4520 11.9674 11.9674 12.0885 12.0885 12.3403 12.3403 14.3367 14.3367 k = 0.0000 0.0000 0.1365 ( 5492 PWs) bands (ev): -66.6360 -66.6360 -66.6284 -66.6284 -36.4461 -36.4461 -36.4260 -36.4260 -35.3063 -35.3063 -35.2738 -35.2738 -35.1545 -35.1545 -35.1484 -35.1484 -3.3196 -3.3196 -2.1589 -2.1589 5.3141 5.3141 7.9962 7.9962 8.1444 8.1444 9.0897 9.0897 9.6298 9.6298 9.7874 9.7874 10.6489 10.6489 10.8124 10.8124 10.8147 10.8147 11.4450 11.4450 11.4530 11.4530 12.0411 12.0411 12.1676 12.1676 12.2794 12.2794 14.2972 14.2972 k = 0.0000 0.0000 0.1479 ( 5492 PWs) bands (ev): -66.6359 -66.6359 -66.6285 -66.6285 -36.4455 -36.4455 -36.4264 -36.4264 -35.3055 -35.3055 -35.2746 -35.2746 -35.1543 -35.1543 -35.1486 -35.1486 -3.2958 -3.2958 -2.1963 -2.1963 5.3998 5.3998 8.0229 8.0229 8.1712 8.1712 8.9724 8.9724 9.5538 9.5538 9.7079 9.7079 10.6661 10.6661 10.8282 10.8282 10.8304 10.8304 11.4380 11.4380 11.4470 11.4470 12.1212 12.1212 12.2163 12.2163 12.2514 12.2514 14.2544 14.2544 k = 0.0000 0.0000 0.1592 ( 5492 PWs) bands (ev): -66.6357 -66.6357 -66.6287 -66.6287 -36.4450 -36.4450 -36.4270 -36.4270 -35.3046 -35.3046 -35.2755 -35.2755 -35.1541 -35.1541 -35.1487 -35.1487 -3.2703 -3.2703 -2.2353 -2.2353 5.4908 5.4908 8.0517 8.0517 8.2000 8.2000 8.8494 8.8494 9.4779 9.4779 9.6299 9.6299 10.6886 10.6886 10.8452 10.8452 10.8473 10.8473 11.4265 11.4265 11.4360 11.4360 12.1515 12.1515 12.2056 12.2056 12.3383 12.3383 14.2084 14.2084 k = 0.0000 0.0000 0.1706 ( 5492 PWs) bands (ev): -66.6355 -66.6355 -66.6289 -66.6289 -36.4444 -36.4444 -36.4275 -36.4275 -35.3037 -35.3037 -35.2765 -35.2765 -35.1540 -35.1540 -35.1489 -35.1489 -3.2431 -3.2431 -2.2758 -2.2758 5.5870 5.5870 8.0826 8.0826 8.2310 8.2310 8.7216 8.7216 9.4026 9.4026 9.5532 9.5532 10.7158 10.7158 10.8633 10.8633 10.8652 10.8652 11.4118 11.4118 11.4213 11.4213 12.0853 12.0853 12.2927 12.2927 12.4272 12.4272 14.1593 14.1593 k = 0.0000 0.0000 0.1820 ( 5504 PWs) bands (ev): -66.6354 -66.6354 -66.6312 -66.6312 -36.4438 -36.4438 -36.4281 -36.4281 -35.3028 -35.3028 -35.2775 -35.2775 -35.1538 -35.1538 -35.1491 -35.1491 -3.2143 -3.2143 -2.3176 -2.3176 5.6877 5.6877 8.1140 8.1140 8.2624 8.2624 8.5898 8.5898 9.3275 9.3275 9.4770 9.4770 10.7472 10.7472 10.8750 10.8750 10.8769 10.8769 11.3928 11.3928 11.4021 11.4021 12.0174 12.0174 12.3805 12.3805 12.5164 12.5164 14.1043 14.1043 k = 0.0000 0.0000 0.1934 ( 5492 PWs) bands (ev): -66.6331 -66.6331 -66.6314 -66.6314 -36.4432 -36.4432 -36.4287 -36.4287 -35.3019 -35.3019 -35.2785 -35.2785 -35.1535 -35.1535 -35.1493 -35.1493 -3.1838 -3.1838 -2.3604 -2.3604 5.7934 5.7934 8.1501 8.1501 8.2988 8.2988 8.4547 8.4547 9.2553 9.2553 9.4044 9.4044 10.7830 10.7830 10.8968 10.8968 10.8987 10.8987 11.3789 11.3789 11.3879 11.3879 11.9495 11.9495 12.4741 12.4741 12.6109 12.6109 14.0528 14.0528 k = 0.0000 0.0000 0.2047 ( 5492 PWs) bands (ev): -66.6329 -66.6329 -66.6316 -66.6316 -36.4425 -36.4425 -36.4293 -36.4293 -35.3008 -35.3008 -35.2795 -35.2795 -35.1534 -35.1534 -35.1495 -35.1495 -3.1518 -3.1518 -2.4041 -2.4041 5.9033 5.9033 8.1872 8.1872 8.3171 8.3171 8.3359 8.3359 9.1834 9.1834 9.3323 9.3323 10.8219 10.8219 10.9178 10.9178 10.9195 10.9195 11.3580 11.3580 11.3668 11.3668 11.8812 11.8812 12.5642 12.5642 12.7016 12.7016 13.9945 13.9945 k = 0.0000 0.0000 0.2161 ( 5492 PWs) bands (ev): -66.6326 -66.6326 -66.6317 -66.6317 -36.4418 -36.4418 -36.4300 -36.4300 -35.2998 -35.2998 -35.2806 -35.2806 -35.1532 -35.1532 -35.1497 -35.1497 -3.1183 -3.1183 -2.4484 -2.4484 6.0174 6.0174 8.1774 8.1774 8.2263 8.2263 8.3751 8.3751 9.1129 9.1129 9.2617 9.2617 10.8641 10.8641 10.9395 10.9395 10.9411 10.9411 11.3358 11.3358 11.3444 11.3444 11.8128 11.8128 12.6544 12.6544 12.7923 12.7923 13.9332 13.9332 k = 0.0000 0.0000 0.2275 ( 5480 PWs) bands (ev): -66.6324 -66.6324 -66.6298 -66.6298 -36.4411 -36.4411 -36.4306 -36.4306 -35.2986 -35.2986 -35.2818 -35.2818 -35.1529 -35.1529 -35.1499 -35.1499 -3.0834 -3.0834 -2.4931 -2.4931 6.1362 6.1362 8.0363 8.0363 8.2687 8.2687 8.4175 8.4175 9.0442 9.0442 9.1930 9.1930 10.9093 10.9093 10.9682 10.9682 10.9696 10.9696 11.3129 11.3129 11.3215 11.3215 11.7529 11.7529 12.7448 12.7448 12.8829 12.8829 13.8717 13.8717 k = 0.0000 0.0000 0.2389 ( 5480 PWs) bands (ev): -66.6322 -66.6322 -66.6300 -66.6300 -36.4403 -36.4403 -36.4313 -36.4313 -35.2974 -35.2974 -35.2829 -35.2829 -35.1527 -35.1527 -35.1501 -35.1501 -3.0472 -3.0472 -2.5382 -2.5382 6.2576 6.2576 7.8948 7.8948 8.3117 8.3117 8.4607 8.4607 8.9766 8.9766 9.1254 9.1254 10.9606 10.9606 10.9913 10.9913 10.9925 10.9925 11.2874 11.2874 11.2961 11.2961 11.6847 11.6847 12.8334 12.8334 12.9717 12.9717 13.8048 13.8048 k = 0.0000 0.0000 0.2502 ( 5468 PWs) bands (ev): -66.6302 -66.6302 -66.6298 -66.6298 -36.4396 -36.4396 -36.4320 -36.4320 -35.2963 -35.2963 -35.2840 -35.2840 -35.1525 -35.1525 -35.1503 -35.1503 -3.0095 -3.0095 -2.5833 -2.5833 6.3823 6.3823 7.7532 7.7532 8.3572 8.3572 8.5062 8.5062 8.9123 8.9123 9.0612 9.0612 11.0136 11.0136 11.0157 11.0157 11.0170 11.0170 11.2692 11.2692 11.2786 11.2786 11.6171 11.6171 12.9259 12.9259 13.0642 13.0642 13.7365 13.7365 k = 0.0000 0.0000 0.2616 ( 5468 PWs) bands (ev): -66.6303 -66.6303 -66.6297 -66.6297 -36.4388 -36.4388 -36.4327 -36.4327 -35.2951 -35.2951 -35.2852 -35.2852 -35.1523 -35.1523 -35.1505 -35.1505 -2.9708 -2.9708 -2.6284 -2.6284 6.5100 6.5100 7.6106 7.6106 8.4043 8.4043 8.5534 8.5534 8.8484 8.8484 8.9973 8.9973 11.0402 11.0402 11.0414 11.0414 11.0651 11.0651 11.2437 11.2437 11.2545 11.2545 11.5504 11.5504 13.0136 13.0136 13.1517 13.1517 13.6647 13.6647 k = 0.0000 0.0000 0.2730 ( 5474 PWs) bands (ev): -66.6306 -66.6306 -66.6305 -66.6305 -36.4381 -36.4381 -36.4335 -36.4335 -35.2939 -35.2939 -35.2865 -35.2865 -35.1520 -35.1520 -35.1507 -35.1507 -2.9309 -2.9309 -2.6733 -2.6733 6.6406 6.6406 7.4668 7.4668 8.4534 8.4534 8.6026 8.6026 8.7860 8.7860 8.9350 8.9350 11.0650 11.0650 11.0664 11.0664 11.1070 11.1070 11.2173 11.2173 11.2315 11.2315 11.4847 11.4847 13.0998 13.0998 13.2377 13.2377 13.5906 13.5906 k = 0.0000 0.0000 0.2844 ( 5474 PWs) bands (ev): -66.6307 -66.6307 -66.6304 -66.6304 -36.4373 -36.4373 -36.4343 -36.4343 -35.2927 -35.2927 -35.2877 -35.2877 -35.1518 -35.1518 -35.1510 -35.1510 -2.8899 -2.8899 -2.7178 -2.7178 6.7745 6.7745 7.3254 7.3254 8.5039 8.5039 8.6531 8.6531 8.7255 8.7255 8.8744 8.8744 11.0874 11.0874 11.0892 11.0892 11.1487 11.1487 11.1909 11.1909 11.2203 11.2203 11.4286 11.4286 13.1846 13.1846 13.3222 13.3222 13.5131 13.5131 k = 0.0000 0.0000 0.2957 ( 5474 PWs) bands (ev): -66.6309 -66.6309 -66.6302 -66.6302 -36.4366 -36.4366 -36.4350 -36.4350 -35.2914 -35.2914 -35.2890 -35.2890 -35.1516 -35.1516 -35.1512 -35.1512 -2.8481 -2.8481 -2.7619 -2.7619 6.9098 6.9098 7.1851 7.1851 8.5568 8.5568 8.6669 8.6669 8.7061 8.7061 8.8159 8.8159 11.1122 11.1122 11.1149 11.1149 11.1532 11.1532 11.1648 11.1648 11.2486 11.2486 11.3657 11.3657 13.2683 13.2683 13.4055 13.4055 13.4346 13.4346 k = 0.0000 0.0000 0.3071 ( 5468 PWs) bands (ev): -66.6300 -66.6300 -66.6300 -66.6300 -36.4358 -36.4358 -36.4358 -36.4358 -35.2902 -35.2902 -35.2902 -35.2902 -35.1514 -35.1514 -35.1514 -35.1514 -2.8053 -2.8053 -2.8053 -2.8053 7.0462 7.0462 7.0462 7.0462 8.6119 8.6119 8.6119 8.6119 8.7611 8.7611 8.7611 8.7611 11.1370 11.1370 11.1370 11.1370 11.1419 11.1419 11.1419 11.1419 11.3025 11.3025 11.3025 11.3025 13.3548 13.3548 13.3548 13.3548 13.4912 13.4912 k = 0.0000 0.0000 0.3071 ( 5468 PWs) bands (ev): -66.6300 -66.6300 -66.6300 -66.6300 -36.4358 -36.4358 -36.4358 -36.4358 -35.2902 -35.2902 -35.2902 -35.2902 -35.1514 -35.1514 -35.1514 -35.1514 -2.8053 -2.8053 -2.8053 -2.8053 7.0462 7.0462 7.0462 7.0462 8.6119 8.6119 8.6119 8.6119 8.7611 8.7611 8.7611 8.7611 11.1370 11.1370 11.1370 11.1370 11.1419 11.1419 11.1419 11.1419 11.3025 11.3025 11.3025 11.3025 13.3548 13.3548 13.3548 13.3548 13.4912 13.4912 k = 0.0100 0.0058 0.3071 ( 5472 PWs) bands (ev): -66.6304 -66.6304 -66.6304 -66.6304 -36.4358 -36.4358 -36.4358 -36.4358 -35.2902 -35.2902 -35.2902 -35.2902 -35.1514 -35.1514 -35.1514 -35.1514 -2.8046 -2.8046 -2.8046 -2.8046 7.0457 7.0457 7.0457 7.0457 8.6101 8.6101 8.6101 8.6101 8.7593 8.7593 8.7593 8.7593 11.1350 11.1350 11.1350 11.1350 11.1405 11.1405 11.1405 11.1405 11.3051 11.3051 11.3051 11.3051 13.3511 13.3511 13.3511 13.3511 13.4874 13.4874 k = 0.0200 0.0115 0.3071 ( 5476 PWs) bands (ev): -66.6307 -66.6307 -66.6307 -66.6307 -36.4358 -36.4358 -36.4358 -36.4358 -35.2902 -35.2902 -35.2902 -35.2902 -35.1514 -35.1514 -35.1514 -35.1514 -2.8022 -2.8022 -2.8022 -2.8022 7.0433 7.0433 7.0433 7.0433 8.6062 8.6062 8.6062 8.6062 8.7555 8.7555 8.7555 8.7555 11.1320 11.1320 11.1320 11.1320 11.1399 11.1399 11.1399 11.1399 11.3096 11.3096 11.3096 11.3096 13.3435 13.3435 13.3435 13.3435 13.4797 13.4797 k = 0.0300 0.0173 0.3071 ( 5476 PWs) bands (ev): -66.6307 -66.6307 -66.6307 -66.6307 -36.4358 -36.4358 -36.4358 -36.4358 -35.2902 -35.2902 -35.2902 -35.2902 -35.1515 -35.1515 -35.1515 -35.1515 -2.7983 -2.7983 -2.7983 -2.7983 7.0393 7.0393 7.0393 7.0393 8.6002 8.6002 8.6002 8.6002 8.7500 8.7500 8.7500 8.7500 11.1286 11.1286 11.1286 11.1286 11.1407 11.1407 11.1407 11.1407 11.3182 11.3182 11.3182 11.3182 13.3314 13.3314 13.3314 13.3314 13.4698 13.4698 k = 0.0400 0.0231 0.3071 ( 5472 PWs) bands (ev): -66.6303 -66.6303 -66.6303 -66.6303 -36.4358 -36.4358 -36.4358 -36.4358 -35.2902 -35.2902 -35.2902 -35.2902 -35.1515 -35.1515 -35.1515 -35.1515 -2.7928 -2.7928 -2.7928 -2.7928 7.0337 7.0337 7.0337 7.0337 8.5920 8.5920 8.5920 8.5920 8.7430 8.7430 8.7430 8.7430 11.1255 11.1255 11.1255 11.1255 11.1428 11.1428 11.1428 11.1428 11.3308 11.3308 11.3308 11.3308 13.3136 13.3136 13.3136 13.3136 13.4590 13.4590 k = 0.0500 0.0289 0.3071 ( 5472 PWs) bands (ev): -66.6303 -66.6303 -66.6303 -66.6303 -36.4359 -36.4359 -36.4359 -36.4359 -35.2903 -35.2903 -35.2903 -35.2903 -35.1516 -35.1516 -35.1516 -35.1516 -2.7858 -2.7858 -2.7858 -2.7858 7.0262 7.0262 7.0262 7.0262 8.5808 8.5808 8.5808 8.5808 8.7342 8.7342 8.7342 8.7342 11.1192 11.1192 11.1192 11.1192 11.1443 11.1443 11.1443 11.1443 11.3465 11.3465 11.3465 11.3465 13.2879 13.2879 13.2879 13.2879 13.4478 13.4478 k = 0.0600 0.0346 0.3071 ( 5472 PWs) bands (ev): -66.6302 -66.6302 -66.6302 -66.6302 -36.4359 -36.4359 -36.4359 -36.4359 -35.2903 -35.2903 -35.2903 -35.2903 -35.1516 -35.1516 -35.1516 -35.1516 -2.7773 -2.7773 -2.7773 -2.7773 7.0168 7.0168 7.0168 7.0168 8.5670 8.5670 8.5670 8.5670 8.7243 8.7243 8.7243 8.7243 11.1113 11.1113 11.1113 11.1113 11.1461 11.1461 11.1461 11.1461 11.3655 11.3655 11.3655 11.3655 13.2551 13.2551 13.2551 13.2551 13.4375 13.4375 k = 0.0700 0.0404 0.3071 ( 5478 PWs) bands (ev): -66.6307 -66.6307 -66.6307 -66.6307 -36.4359 -36.4359 -36.4359 -36.4359 -35.2903 -35.2903 -35.2903 -35.2903 -35.1517 -35.1517 -35.1517 -35.1517 -2.7672 -2.7672 -2.7672 -2.7672 7.0051 7.0051 7.0051 7.0051 8.5503 8.5503 8.5503 8.5503 8.7134 8.7134 8.7134 8.7134 11.0981 11.0981 11.0981 11.0981 11.1480 11.1480 11.1480 11.1480 11.3871 11.3871 11.3871 11.3871 13.2143 13.2143 13.2143 13.2143 13.4280 13.4280 k = 0.0800 0.0462 0.3071 ( 5482 PWs) bands (ev): -66.6310 -66.6310 -66.6310 -66.6310 -36.4360 -36.4360 -36.4360 -36.4360 -35.2904 -35.2904 -35.2904 -35.2904 -35.1519 -35.1519 -35.1519 -35.1519 -2.7557 -2.7557 -2.7557 -2.7557 6.9915 6.9915 6.9915 6.9915 8.5309 8.5309 8.5309 8.5309 8.7018 8.7018 8.7018 8.7018 11.0859 11.0859 11.0859 11.0859 11.1506 11.1506 11.1506 11.1506 11.4115 11.4115 11.4115 11.4115 13.1679 13.1679 13.1679 13.1679 13.4193 13.4193 k = 0.0900 0.0520 0.3071 ( 5486 PWs) bands (ev): -66.6313 -66.6313 -66.6313 -66.6313 -36.4360 -36.4360 -36.4360 -36.4360 -35.2904 -35.2904 -35.2904 -35.2904 -35.1520 -35.1520 -35.1520 -35.1520 -2.7427 -2.7427 -2.7427 -2.7427 6.9753 6.9753 6.9753 6.9753 8.5098 8.5098 8.5098 8.5098 8.6898 8.6898 8.6898 8.6898 11.0720 11.0720 11.0720 11.0720 11.1532 11.1532 11.1532 11.1532 11.4381 11.4381 11.4381 11.4381 13.1196 13.1196 13.1196 13.1196 13.4105 13.4105 k = 0.1000 0.0577 0.3071 ( 5494 PWs) bands (ev): -66.6319 -66.6319 -66.6319 -66.6319 -36.4361 -36.4361 -36.4361 -36.4361 -35.2905 -35.2905 -35.2905 -35.2905 -35.1521 -35.1521 -35.1521 -35.1521 -2.7283 -2.7283 -2.7283 -2.7283 6.9567 6.9567 6.9567 6.9567 8.4864 8.4864 8.4864 8.4864 8.6776 8.6776 8.6776 8.6776 11.0535 11.0535 11.0535 11.0535 11.1570 11.1570 11.1570 11.1570 11.4661 11.4661 11.4661 11.4661 13.0667 13.0667 13.0667 13.0667 13.4025 13.4025 k = 0.1100 0.0635 0.3071 ( 5494 PWs) bands (ev): -66.6318 -66.6318 -66.6318 -66.6318 -36.4361 -36.4361 -36.4361 -36.4361 -35.2905 -35.2905 -35.2905 -35.2905 -35.1523 -35.1523 -35.1523 -35.1523 -2.7125 -2.7125 -2.7125 -2.7125 6.9355 6.9355 6.9355 6.9355 8.4621 8.4621 8.4621 8.4621 8.6650 8.6650 8.6650 8.6650 11.0400 11.0400 11.0400 11.0400 11.1616 11.1616 11.1616 11.1616 11.4980 11.4980 11.4980 11.4980 13.0147 13.0147 13.0147 13.0147 13.3933 13.3933 k = 0.1200 0.0693 0.3071 ( 5502 PWs) bands (ev): -66.6325 -66.6325 -66.6325 -66.6325 -36.4362 -36.4362 -36.4362 -36.4362 -35.2905 -35.2905 -35.2905 -35.2905 -35.1524 -35.1524 -35.1524 -35.1524 -2.6953 -2.6953 -2.6953 -2.6953 6.9117 6.9117 6.9117 6.9117 8.4360 8.4360 8.4360 8.4360 8.6511 8.6511 8.6511 8.6511 11.0211 11.0211 11.0211 11.0211 11.1653 11.1653 11.1653 11.1653 11.5323 11.5323 11.5323 11.5323 12.9609 12.9609 12.9609 12.9609 13.3809 13.3809 k = 0.1300 0.0751 0.3071 ( 5506 PWs) bands (ev): -66.6328 -66.6328 -66.6328 -66.6328 -36.4363 -36.4363 -36.4363 -36.4363 -35.2906 -35.2906 -35.2906 -35.2906 -35.1526 -35.1526 -35.1526 -35.1526 -2.6768 -2.6768 -2.6768 -2.6768 6.8845 6.8845 6.8845 6.8845 8.4102 8.4102 8.4102 8.4102 8.6383 8.6383 8.6383 8.6383 11.0017 11.0017 11.0017 11.0017 11.1714 11.1714 11.1714 11.1714 11.5650 11.5650 11.5650 11.5650 12.9088 12.9088 12.9088 12.9088 13.3718 13.3718 k = 0.1400 0.0808 0.3071 ( 5502 PWs) bands (ev): -66.6324 -66.6324 -66.6324 -66.6324 -36.4363 -36.4363 -36.4363 -36.4363 -35.2906 -35.2906 -35.2906 -35.2906 -35.1527 -35.1527 -35.1527 -35.1527 -2.6571 -2.6571 -2.6571 -2.6571 6.8547 6.8547 6.8547 6.8547 8.3852 8.3852 8.3852 8.3852 8.6256 8.6256 8.6256 8.6256 10.9833 10.9833 10.9833 10.9833 11.1768 11.1768 11.1768 11.1768 11.6024 11.6024 11.6024 11.6024 12.8611 12.8611 12.8611 12.8611 13.3638 13.3638 k = 0.1500 0.0866 0.3071 ( 5496 PWs) bands (ev): -66.6318 -66.6318 -66.6318 -66.6318 -36.4364 -36.4364 -36.4364 -36.4364 -35.2907 -35.2907 -35.2907 -35.2907 -35.1529 -35.1529 -35.1529 -35.1529 -2.6361 -2.6361 -2.6361 -2.6361 6.8210 6.8210 6.8210 6.8210 8.3605 8.3605 8.3605 8.3605 8.6130 8.6130 8.6130 8.6130 10.9652 10.9652 10.9652 10.9652 11.1876 11.1876 11.1876 11.1876 11.6367 11.6367 11.6367 11.6367 12.8160 12.8160 12.8160 12.8160 13.3558 13.3558 k = 0.1600 0.0924 0.3071 ( 5500 PWs) bands (ev): -66.6321 -66.6321 -66.6321 -66.6321 -36.4365 -36.4365 -36.4365 -36.4365 -35.2907 -35.2907 -35.2907 -35.2907 -35.1531 -35.1531 -35.1531 -35.1531 -2.6139 -2.6139 -2.6139 -2.6139 6.7844 6.7844 6.7844 6.7844 8.3358 8.3358 8.3358 8.3358 8.5986 8.5986 8.5986 8.5986 10.9455 10.9455 10.9455 10.9455 11.1927 11.1927 11.1927 11.1927 11.6728 11.6728 11.6728 11.6728 12.7713 12.7713 12.7713 12.7713 13.3428 13.3428 k = 0.1700 0.0981 0.3071 ( 5486 PWs) bands (ev): -66.6308 -66.6308 -66.6308 -66.6308 -36.4365 -36.4365 -36.4365 -36.4365 -35.2907 -35.2907 -35.2907 -35.2907 -35.1533 -35.1533 -35.1533 -35.1533 -2.5906 -2.5906 -2.5906 -2.5906 6.7451 6.7451 6.7451 6.7451 8.3131 8.3131 8.3131 8.3131 8.5851 8.5851 8.5851 8.5851 10.9261 10.9261 10.9261 10.9261 11.2039 11.2039 11.2039 11.2039 11.7186 11.7186 11.7186 11.7186 12.7315 12.7315 12.7315 12.7315 13.3321 13.3321 k = 0.1800 0.1039 0.3071 ( 5490 PWs) bands (ev): -66.6311 -66.6311 -66.6311 -66.6311 -36.4366 -36.4366 -36.4366 -36.4366 -35.2908 -35.2908 -35.2908 -35.2908 -35.1535 -35.1535 -35.1535 -35.1535 -2.5664 -2.5664 -2.5664 -2.5664 6.7020 6.7020 6.7020 6.7020 8.2906 8.2906 8.2906 8.2906 8.5707 8.5707 8.5707 8.5707 10.9021 10.9021 10.9021 10.9021 11.2125 11.2125 11.2125 11.2125 11.7532 11.7532 11.7532 11.7532 12.6941 12.6941 12.6941 12.6941 13.3190 13.3190 k = 0.1900 0.1097 0.3071 ( 5486 PWs) bands (ev): -66.6307 -66.6307 -66.6307 -66.6307 -36.4367 -36.4367 -36.4367 -36.4367 -35.2908 -35.2908 -35.2908 -35.2908 -35.1536 -35.1536 -35.1536 -35.1536 -2.5411 -2.5411 -2.5411 -2.5411 6.6558 6.6558 6.6558 6.6558 8.2692 8.2692 8.2692 8.2692 8.5561 8.5561 8.5561 8.5561 10.8813 10.8813 10.8813 10.8813 11.2259 11.2259 11.2259 11.2259 11.7887 11.7887 11.7887 11.7887 12.6618 12.6618 12.6618 12.6618 13.3055 13.3055 k = 0.2000 0.1155 0.3071 ( 5490 PWs) bands (ev): -66.6310 -66.6310 -66.6310 -66.6310 -36.4368 -36.4368 -36.4368 -36.4368 -35.2909 -35.2909 -35.2909 -35.2909 -35.1539 -35.1539 -35.1539 -35.1539 -2.5149 -2.5149 -2.5149 -2.5149 6.6064 6.6064 6.6064 6.6064 8.2491 8.2491 8.2491 8.2491 8.5413 8.5413 8.5413 8.5413 10.8585 10.8585 10.8585 10.8585 11.2383 11.2383 11.2383 11.2383 11.8175 11.8175 11.8175 11.8175 12.6334 12.6334 12.6334 12.6334 13.2908 13.2908 k = 0.2100 0.1212 0.3071 ( 5494 PWs) bands (ev): -66.6313 -66.6313 -66.6313 -66.6313 -36.4369 -36.4369 -36.4369 -36.4369 -35.2910 -35.2910 -35.2910 -35.2910 -35.1541 -35.1541 -35.1541 -35.1541 -2.4880 -2.4880 -2.4880 -2.4880 6.5541 6.5541 6.5541 6.5541 8.2304 8.2304 8.2304 8.2304 8.5263 8.5263 8.5263 8.5263 10.8363 10.8363 10.8363 10.8363 11.2518 11.2518 11.2518 11.2518 11.8435 11.8435 11.8435 11.8435 12.6101 12.6101 12.6101 12.6101 13.2757 13.2757 k = 0.2200 0.1270 0.3071 ( 5496 PWs) bands (ev): -66.6314 -66.6314 -66.6314 -66.6314 -36.4370 -36.4370 -36.4370 -36.4370 -35.2910 -35.2910 -35.2910 -35.2910 -35.1543 -35.1543 -35.1543 -35.1543 -2.4603 -2.4603 -2.4603 -2.4603 6.4998 6.4998 6.4998 6.4998 8.2131 8.2131 8.2131 8.2131 8.5110 8.5110 8.5110 8.5110 10.8129 10.8129 10.8129 10.8129 11.2670 11.2670 11.2670 11.2670 11.8677 11.8677 11.8677 11.8677 12.5962 12.5962 12.5962 12.5962 13.2587 13.2587 k = 0.2300 0.1328 0.3071 ( 5490 PWs) bands (ev): -66.6308 -66.6308 -66.6308 -66.6308 -36.4371 -36.4371 -36.4371 -36.4371 -35.2911 -35.2911 -35.2911 -35.2911 -35.1545 -35.1545 -35.1545 -35.1545 -2.4319 -2.4319 -2.4319 -2.4319 6.4436 6.4436 6.4436 6.4436 8.1974 8.1974 8.1974 8.1974 8.4958 8.4958 8.4958 8.4958 10.7928 10.7928 10.7928 10.7928 11.2846 11.2846 11.2846 11.2846 11.8892 11.8892 11.8892 11.8892 12.5934 12.5934 12.5934 12.5934 13.2411 13.2411 k = 0.2400 0.1386 0.3071 ( 5494 PWs) bands (ev): -66.6311 -66.6311 -66.6311 -66.6311 -36.4372 -36.4372 -36.4372 -36.4372 -35.2912 -35.2912 -35.2912 -35.2912 -35.1547 -35.1547 -35.1547 -35.1547 -2.4029 -2.4029 -2.4029 -2.4029 6.3851 6.3851 6.3851 6.3851 8.1825 8.1825 8.1825 8.1825 8.4803 8.4803 8.4803 8.4803 10.7700 10.7700 10.7700 10.7700 11.3000 11.3000 11.3000 11.3000 11.9075 11.9075 11.9075 11.9075 12.5912 12.5912 12.5912 12.5912 13.2221 13.2221 k = 0.2500 0.1443 0.3071 ( 5500 PWs) bands (ev): -66.6316 -66.6316 -66.6316 -66.6316 -36.4373 -36.4373 -36.4373 -36.4373 -35.2912 -35.2912 -35.2912 -35.2912 -35.1549 -35.1549 -35.1549 -35.1549 -2.3736 -2.3736 -2.3736 -2.3736 6.3251 6.3251 6.3251 6.3251 8.1686 8.1686 8.1686 8.1686 8.4640 8.4640 8.4640 8.4640 10.7495 10.7495 10.7495 10.7495 11.3155 11.3155 11.3155 11.3155 11.9191 11.9191 11.9191 11.9191 12.5985 12.5985 12.5985 12.5985 13.1995 13.1995 k = 0.2600 0.1501 0.3071 ( 5500 PWs) bands (ev): -66.6315 -66.6315 -66.6315 -66.6315 -36.4373 -36.4373 -36.4373 -36.4373 -35.2913 -35.2913 -35.2913 -35.2913 -35.1551 -35.1551 -35.1551 -35.1551 -2.3438 -2.3438 -2.3438 -2.3438 6.2641 6.2641 6.2641 6.2641 8.1556 8.1556 8.1556 8.1556 8.4485 8.4485 8.4485 8.4485 10.7295 10.7295 10.7295 10.7295 11.3354 11.3354 11.3354 11.3354 11.9258 11.9258 11.9258 11.9258 12.6155 12.6155 12.6155 12.6155 13.1782 13.1782 k = 0.2700 0.1559 0.3071 ( 5504 PWs) bands (ev): -66.6319 -66.6319 -66.6319 -66.6319 -36.4374 -36.4374 -36.4374 -36.4374 -35.2914 -35.2914 -35.2914 -35.2914 -35.1554 -35.1554 -35.1554 -35.1554 -2.3138 -2.3138 -2.3138 -2.3138 6.2021 6.2021 6.2021 6.2021 8.1430 8.1430 8.1430 8.1430 8.4332 8.4332 8.4332 8.4332 10.7115 10.7115 10.7115 10.7115 11.3546 11.3546 11.3546 11.3546 11.9270 11.9270 11.9270 11.9270 12.6355 12.6355 12.6355 12.6355 13.1570 13.1570 k = 0.2800 0.1617 0.3071 ( 5500 PWs) bands (ev): -66.6315 -66.6315 -66.6315 -66.6315 -36.4375 -36.4375 -36.4375 -36.4375 -35.2914 -35.2914 -35.2914 -35.2914 -35.1556 -35.1556 -35.1556 -35.1556 -2.2837 -2.2837 -2.2837 -2.2837 6.1400 6.1400 6.1400 6.1400 8.1318 8.1318 8.1318 8.1318 8.4182 8.4182 8.4182 8.4182 10.6953 10.6953 10.6953 10.6953 11.3756 11.3756 11.3756 11.3756 11.9297 11.9297 11.9297 11.9297 12.6643 12.6643 12.6643 12.6643 13.1350 13.1350 k = 0.2900 0.1674 0.3071 ( 5506 PWs) bands (ev): -66.6319 -66.6319 -66.6319 -66.6319 -36.4376 -36.4376 -36.4376 -36.4376 -35.2915 -35.2915 -35.2915 -35.2915 -35.1558 -35.1558 -35.1558 -35.1558 -2.2536 -2.2536 -2.2536 -2.2536 6.0770 6.0770 6.0770 6.0770 8.1208 8.1208 8.1208 8.1208 8.4034 8.4034 8.4034 8.4034 10.6801 10.6801 10.6801 10.6801 11.3958 11.3958 11.3958 11.3958 11.9238 11.9238 11.9238 11.9238 12.6934 12.6934 12.6934 12.6934 13.1121 13.1121 k = 0.3000 0.1732 0.3071 ( 5514 PWs) bands (ev): -66.6326 -66.6326 -66.6326 -66.6326 -36.4377 -36.4377 -36.4377 -36.4377 -35.2916 -35.2916 -35.2916 -35.2916 -35.1560 -35.1560 -35.1560 -35.1560 -2.2235 -2.2235 -2.2235 -2.2235 6.0142 6.0142 6.0142 6.0142 8.1103 8.1103 8.1103 8.1103 8.3884 8.3884 8.3884 8.3884 10.6662 10.6662 10.6662 10.6662 11.4157 11.4157 11.4157 11.4157 11.9159 11.9159 11.9159 11.9159 12.7270 12.7270 12.7270 12.7270 13.0863 13.0863 k = 0.3100 0.1790 0.3071 ( 5514 PWs) bands (ev): -66.6326 -66.6326 -66.6326 -66.6326 -36.4378 -36.4378 -36.4378 -36.4378 -35.2916 -35.2916 -35.2916 -35.2916 -35.1562 -35.1562 -35.1562 -35.1562 -2.1937 -2.1937 -2.1937 -2.1937 5.9522 5.9522 5.9522 5.9522 8.1004 8.1004 8.1004 8.1004 8.3743 8.3743 8.3743 8.3743 10.6550 10.6550 10.6550 10.6550 11.4380 11.4380 11.4380 11.4380 11.9105 11.9105 11.9105 11.9105 12.7641 12.7641 12.7641 12.7641 13.0630 13.0630 k = 0.3200 0.1848 0.3071 ( 5518 PWs) bands (ev): -66.6329 -66.6329 -66.6329 -66.6329 -36.4379 -36.4379 -36.4379 -36.4379 -35.2917 -35.2917 -35.2917 -35.2917 -35.1564 -35.1564 -35.1564 -35.1564 -2.1643 -2.1643 -2.1643 -2.1643 5.8911 5.8911 5.8911 5.8911 8.0908 8.0908 8.0908 8.0908 8.3605 8.3605 8.3605 8.3605 10.6438 10.6438 10.6438 10.6438 11.4591 11.4591 11.4591 11.4591 11.9043 11.9043 11.9043 11.9043 12.8023 12.8023 12.8023 12.8023 13.0391 13.0391 k = 0.3300 0.1905 0.3071 ( 5514 PWs) bands (ev): -66.6326 -66.6326 -66.6326 -66.6326 -36.4380 -36.4380 -36.4380 -36.4380 -35.2917 -35.2917 -35.2917 -35.2917 -35.1566 -35.1566 -35.1566 -35.1566 -2.1353 -2.1353 -2.1353 -2.1353 5.8313 5.8313 5.8313 5.8313 8.0817 8.0817 8.0817 8.0817 8.3474 8.3474 8.3474 8.3474 10.6366 10.6366 10.6366 10.6366 11.4833 11.4833 11.4833 11.4833 11.8988 11.8988 11.8988 11.8988 12.8448 12.8448 12.8448 12.8448 13.0160 13.0160 k = 0.3400 0.1963 0.3071 ( 5522 PWs) bands (ev): -66.6332 -66.6332 -66.6332 -66.6332 -36.4380 -36.4380 -36.4380 -36.4380 -35.2918 -35.2918 -35.2918 -35.2918 -35.1568 -35.1568 -35.1568 -35.1568 -2.1070 -2.1070 -2.1070 -2.1070 5.7728 5.7728 5.7728 5.7728 8.0727 8.0727 8.0727 8.0727 8.3338 8.3338 8.3338 8.3338 10.6292 10.6292 10.6292 10.6292 11.5020 11.5020 11.5020 11.5020 11.8909 11.8909 11.8909 11.8909 12.8853 12.8853 12.8853 12.8853 12.9898 12.9898 k = 0.3500 0.2021 0.3071 ( 5516 PWs) bands (ev): -66.6327 -66.6327 -66.6327 -66.6327 -36.4381 -36.4381 -36.4381 -36.4381 -35.2918 -35.2918 -35.2918 -35.2918 -35.1570 -35.1570 -35.1570 -35.1570 -2.0795 -2.0795 -2.0795 -2.0795 5.7161 5.7161 5.7161 5.7161 8.0643 8.0643 8.0643 8.0643 8.3221 8.3221 8.3221 8.3221 10.6246 10.6246 10.6246 10.6246 11.5293 11.5293 11.5293 11.5293 11.8852 11.8852 11.8852 11.8852 12.9203 12.9203 12.9203 12.9203 12.9766 12.9766 k = 0.3600 0.2078 0.3071 ( 5514 PWs) bands (ev): -66.6325 -66.6325 -66.6325 -66.6325 -36.4382 -36.4382 -36.4382 -36.4382 -35.2919 -35.2919 -35.2919 -35.2919 -35.1571 -35.1571 -35.1571 -35.1571 -2.0529 -2.0529 -2.0529 -2.0529 5.6616 5.6616 5.6616 5.6616 8.0563 8.0563 8.0563 8.0563 8.3102 8.3102 8.3102 8.3102 10.6211 10.6211 10.6211 10.6211 11.5543 11.5543 11.5543 11.5543 11.8793 11.8793 11.8793 11.8793 12.9266 12.9266 12.9266 12.9266 12.9897 12.9897 k = 0.3700 0.2136 0.3071 ( 5514 PWs) bands (ev): -66.6325 -66.6325 -66.6325 -66.6325 -36.4382 -36.4382 -36.4382 -36.4382 -35.2919 -35.2919 -35.2919 -35.2919 -35.1573 -35.1573 -35.1573 -35.1573 -2.0273 -2.0273 -2.0273 -2.0273 5.6095 5.6095 5.6095 5.6095 8.0485 8.0485 8.0485 8.0485 8.2991 8.2991 8.2991 8.2991 10.6179 10.6179 10.6179 10.6179 11.5779 11.5779 11.5779 11.5779 11.8732 11.8732 11.8732 11.8732 12.9076 12.9076 12.9076 12.9076 13.0281 13.0281 k = 0.3800 0.2194 0.3071 ( 5518 PWs) bands (ev): -66.6328 -66.6328 -66.6328 -66.6328 -36.4383 -36.4383 -36.4383 -36.4383 -35.2920 -35.2920 -35.2920 -35.2920 -35.1575 -35.1575 -35.1575 -35.1575 -2.0030 -2.0030 -2.0030 -2.0030 5.5601 5.5601 5.5601 5.5601 8.0410 8.0410 8.0410 8.0410 8.2886 8.2886 8.2886 8.2886 10.6155 10.6155 10.6155 10.6155 11.5979 11.5979 11.5979 11.5979 11.8666 11.8666 11.8666 11.8666 12.8844 12.8844 12.8844 12.8844 13.0701 13.0701 k = 0.3900 0.2252 0.3071 ( 5514 PWs) bands (ev): -66.6325 -66.6325 -66.6325 -66.6325 -36.4384 -36.4384 -36.4384 -36.4384 -35.2920 -35.2920 -35.2920 -35.2920 -35.1576 -35.1576 -35.1576 -35.1576 -1.9799 -1.9799 -1.9799 -1.9799 5.5138 5.5138 5.5138 5.5138 8.0340 8.0340 8.0340 8.0340 8.2792 8.2792 8.2792 8.2792 10.6140 10.6140 10.6140 10.6140 11.6188 11.6188 11.6188 11.6188 11.8660 11.8660 11.8660 11.8660 12.8630 12.8630 12.8630 12.8630 13.1133 13.1133 k = 0.4000 0.2309 0.3071 ( 5514 PWs) bands (ev): -66.6324 -66.6324 -66.6324 -66.6324 -36.4384 -36.4384 -36.4384 -36.4384 -35.2920 -35.2920 -35.2920 -35.2920 -35.1577 -35.1577 -35.1577 -35.1577 -1.9584 -1.9584 -1.9584 -1.9584 5.4705 5.4705 5.4705 5.4705 8.0274 8.0274 8.0274 8.0274 8.2701 8.2701 8.2701 8.2701 10.6129 10.6129 10.6129 10.6129 11.6423 11.6423 11.6423 11.6423 11.8616 11.8616 11.8616 11.8616 12.8408 12.8408 12.8408 12.8408 13.1536 13.1536 k = 0.4100 0.2367 0.3071 ( 5518 PWs) bands (ev): -66.6328 -66.6328 -66.6328 -66.6328 -36.4385 -36.4385 -36.4385 -36.4385 -35.2921 -35.2921 -35.2921 -35.2921 -35.1579 -35.1579 -35.1579 -35.1579 -1.9385 -1.9385 -1.9385 -1.9385 5.4303 5.4303 5.4303 5.4303 8.0212 8.0212 8.0212 8.0212 8.2617 8.2617 8.2617 8.2617 10.6128 10.6128 10.6128 10.6128 11.6661 11.6661 11.6661 11.6661 11.8524 11.8524 11.8524 11.8524 12.8180 12.8180 12.8180 12.8180 13.1922 13.1922 k = 0.4200 0.2425 0.3071 ( 5512 PWs) bands (ev): -66.6322 -66.6322 -66.6322 -66.6322 -36.4385 -36.4385 -36.4385 -36.4385 -35.2921 -35.2921 -35.2921 -35.2921 -35.1579 -35.1579 -35.1579 -35.1579 -1.9202 -1.9202 -1.9202 -1.9202 5.3940 5.3940 5.3940 5.3940 8.0159 8.0159 8.0159 8.0159 8.2546 8.2546 8.2546 8.2546 10.6139 10.6139 10.6139 10.6139 11.6863 11.6863 11.6863 11.6863 11.8517 11.8517 11.8517 11.8517 12.7996 12.7996 12.7996 12.7996 13.2321 13.2321 k = 0.4300 0.2483 0.3071 ( 5516 PWs) bands (ev): -66.6326 -66.6326 -66.6326 -66.6326 -36.4386 -36.4386 -36.4386 -36.4386 -35.2921 -35.2921 -35.2921 -35.2921 -35.1581 -35.1581 -35.1581 -35.1581 -1.9039 -1.9039 -1.9039 -1.9039 5.3615 5.3615 5.3615 5.3615 8.0105 8.0105 8.0105 8.0105 8.2480 8.2480 8.2480 8.2480 10.6128 10.6128 10.6128 10.6128 11.7027 11.7027 11.7027 11.7027 11.8498 11.8498 11.8498 11.8498 12.7812 12.7812 12.7812 12.7812 13.2648 13.2648 k = 0.4400 0.2540 0.3071 ( 5516 PWs) bands (ev): -66.6326 -66.6326 -66.6326 -66.6326 -36.4386 -36.4386 -36.4386 -36.4386 -35.2922 -35.2922 -35.2922 -35.2922 -35.1581 -35.1581 -35.1581 -35.1581 -1.8895 -1.8895 -1.8895 -1.8895 5.3328 5.3328 5.3328 5.3328 8.0061 8.0061 8.0061 8.0061 8.2422 8.2422 8.2422 8.2422 10.6139 10.6139 10.6139 10.6139 11.7204 11.7204 11.7204 11.7204 11.8471 11.8471 11.8471 11.8471 12.7634 12.7634 12.7634 12.7634 13.2971 13.2971 k = 0.4500 0.2598 0.3071 ( 5524 PWs) bands (ev): -66.6333 -66.6333 -66.6333 -66.6333 -36.4386 -36.4386 -36.4386 -36.4386 -35.2922 -35.2922 -35.2922 -35.2922 -35.1582 -35.1582 -35.1582 -35.1582 -1.8771 -1.8771 -1.8771 -1.8771 5.3083 5.3083 5.3083 5.3083 8.0018 8.0018 8.0018 8.0018 8.2364 8.2364 8.2364 8.2364 10.6133 10.6133 10.6133 10.6133 11.7338 11.7338 11.7338 11.7338 11.8439 11.8439 11.8439 11.8439 12.7446 12.7446 12.7446 12.7446 13.3235 13.3235 k = 0.4600 0.2656 0.3071 ( 5524 PWs) bands (ev): -66.6333 -66.6333 -66.6333 -66.6333 -36.4387 -36.4387 -36.4387 -36.4387 -35.2922 -35.2922 -35.2922 -35.2922 -35.1583 -35.1583 -35.1583 -35.1583 -1.8668 -1.8668 -1.8668 -1.8668 5.2882 5.2882 5.2882 5.2882 7.9988 7.9988 7.9988 7.9988 8.2322 8.2322 8.2322 8.2322 10.6147 10.6147 10.6147 10.6147 11.7443 11.7443 11.7443 11.7443 11.8428 11.8428 11.8428 11.8428 12.7312 12.7312 12.7312 12.7312 13.3493 13.3493 k = 0.4700 0.2714 0.3071 ( 5528 PWs) bands (ev): -66.6336 -66.6336 -66.6336 -66.6336 -36.4387 -36.4387 -36.4387 -36.4387 -35.2922 -35.2922 -35.2922 -35.2922 -35.1584 -35.1584 -35.1584 -35.1584 -1.8588 -1.8588 -1.8588 -1.8588 5.2723 5.2723 5.2723 5.2723 7.9964 7.9964 7.9964 7.9964 8.2285 8.2285 8.2285 8.2285 10.6170 10.6170 10.6170 10.6170 11.7487 11.7487 11.7487 11.7487 11.8414 11.8414 11.8414 11.8414 12.7180 12.7180 12.7180 12.7180 13.3707 13.3707 k = 0.4800 0.2771 0.3071 ( 5532 PWs) bands (ev): -66.6339 -66.6339 -66.6339 -66.6339 -36.4387 -36.4387 -36.4387 -36.4387 -35.2923 -35.2923 -35.2923 -35.2923 -35.1584 -35.1584 -35.1584 -35.1584 -1.8530 -1.8530 -1.8530 -1.8530 5.2608 5.2608 5.2608 5.2608 7.9945 7.9945 7.9945 7.9945 8.2262 8.2262 8.2262 8.2262 10.6177 10.6177 10.6177 10.6177 11.7544 11.7544 11.7544 11.7544 11.8380 11.8380 11.8380 11.8380 12.7107 12.7107 12.7107 12.7107 13.3836 13.3836 k = 0.4900 0.2829 0.3071 ( 5524 PWs) bands (ev): -66.6332 -66.6332 -66.6332 -66.6332 -36.4387 -36.4387 -36.4387 -36.4387 -35.2923 -35.2923 -35.2923 -35.2923 -35.1584 -35.1584 -35.1584 -35.1584 -1.8495 -1.8495 -1.8495 -1.8495 5.2541 5.2541 5.2541 5.2541 7.9937 7.9937 7.9937 7.9937 8.2250 8.2250 8.2250 8.2250 10.6190 10.6190 10.6190 10.6190 11.7617 11.7617 11.7617 11.7617 11.8419 11.8419 11.8419 11.8419 12.7065 12.7065 12.7065 12.7065 13.3950 13.3950 k = 0.5000 0.2887 0.3071 ( 5524 PWs) bands (ev): -66.6332 -66.6332 -66.6332 -66.6332 -36.4387 -36.4387 -36.4387 -36.4387 -35.2923 -35.2923 -35.2923 -35.2923 -35.1584 -35.1584 -35.1584 -35.1584 -1.8483 -1.8483 -1.8483 -1.8483 5.2517 5.2517 5.2517 5.2517 7.9937 7.9937 7.9937 7.9937 8.2247 8.2247 8.2247 8.2247 10.6206 10.6206 10.6206 10.6206 11.7629 11.7629 11.7629 11.7629 11.8391 11.8391 11.8391 11.8391 12.7051 12.7051 12.7051 12.7051 13.3985 13.3985 k = 0.5000 0.2887 0.3071 ( 5524 PWs) bands (ev): -66.6332 -66.6332 -66.6332 -66.6332 -36.4387 -36.4387 -36.4387 -36.4387 -35.2923 -35.2923 -35.2923 -35.2923 -35.1584 -35.1584 -35.1584 -35.1584 -1.8483 -1.8483 -1.8483 -1.8483 5.2517 5.2517 5.2517 5.2517 7.9937 7.9937 7.9937 7.9937 8.2247 8.2247 8.2247 8.2247 10.6206 10.6206 10.6206 10.6206 11.7629 11.7629 11.7629 11.7629 11.8391 11.8391 11.8391 11.8391 12.7051 12.7051 12.7051 12.7051 13.3985 13.3985 k = 0.4943 0.2986 0.3071 ( 5524 PWs) bands (ev): -66.6332 -66.6332 -66.6332 -66.6332 -36.4387 -36.4387 -36.4387 -36.4387 -35.2923 -35.2923 -35.2922 -35.2922 -35.1584 -35.1584 -35.1584 -35.1584 -1.8482 -1.8482 -1.8479 -1.8479 5.2529 5.2529 5.2530 5.2530 7.9857 7.9857 7.9971 7.9971 8.2179 8.2179 8.2276 8.2276 10.6201 10.6201 10.6213 10.6213 11.7595 11.7595 11.7636 11.7636 11.8380 11.8380 11.8408 11.8408 12.7018 12.7018 12.7021 12.7021 13.4018 13.4018 k = 0.4885 0.3086 0.3071 ( 5524 PWs) bands (ev): -66.6332 -66.6332 -66.6332 -66.6332 -36.4387 -36.4387 -36.4387 -36.4387 -35.2923 -35.2923 -35.2922 -35.2922 -35.1584 -35.1584 -35.1584 -35.1584 -1.8473 -1.8473 -1.8468 -1.8468 5.2564 5.2564 5.2566 5.2566 7.9738 7.9738 7.9965 7.9965 8.2064 8.2064 8.2257 8.2257 10.6234 10.6234 10.6258 10.6258 11.7547 11.7547 11.7637 11.7637 11.8337 11.8337 11.8396 11.8396 12.6881 12.6881 12.6883 12.6883 13.4192 13.4192 k = 0.4828 0.3185 0.3071 ( 5524 PWs) bands (ev): -66.6332 -66.6332 -66.6332 -66.6332 -36.4387 -36.4387 -36.4387 -36.4387 -35.2923 -35.2923 -35.2922 -35.2922 -35.1585 -35.1585 -35.1584 -35.1584 -1.8459 -1.8459 -1.8451 -1.8451 5.2624 5.2624 5.2626 5.2626 7.9569 7.9569 7.9912 7.9912 8.1909 8.1909 8.2201 8.2201 10.6300 10.6300 10.6337 10.6337 11.7502 11.7502 11.7633 11.7633 11.8290 11.8290 11.8372 11.8372 12.6652 12.6652 12.6656 12.6656 13.4468 13.4468 k = 0.4770 0.3285 0.3071 ( 5528 PWs) bands (ev): -66.6336 -66.6336 -66.6336 -66.6336 -36.4387 -36.4387 -36.4387 -36.4387 -35.2923 -35.2923 -35.2923 -35.2923 -35.1585 -35.1585 -35.1584 -35.1584 -1.8438 -1.8438 -1.8428 -1.8428 5.2708 5.2708 5.2711 5.2711 7.9344 7.9344 7.9798 7.9798 8.1718 8.1718 8.2105 8.2105 10.6389 10.6389 10.6436 10.6436 11.7483 11.7483 11.7653 11.7653 11.8209 11.8209 11.8315 11.8315 12.6297 12.6297 12.6311 12.6311 13.4838 13.4838 k = 0.4713 0.3384 0.3071 ( 5524 PWs) bands (ev): -66.6332 -66.6332 -66.6332 -66.6332 -36.4387 -36.4387 -36.4387 -36.4387 -35.2923 -35.2923 -35.2923 -35.2923 -35.1585 -35.1585 -35.1584 -35.1584 -1.8411 -1.8411 -1.8399 -1.8399 5.2817 5.2817 5.2820 5.2820 7.9060 7.9060 7.9612 7.9612 8.1531 8.1531 8.2001 8.2001 10.6517 10.6517 10.6574 10.6574 11.7463 11.7463 11.7696 11.7696 11.8122 11.8122 11.8278 11.8278 12.5961 12.5961 12.5990 12.5990 13.5266 13.5266 k = 0.4655 0.3484 0.3071 ( 5528 PWs) bands (ev): -66.6336 -66.6336 -66.6336 -66.6336 -36.4388 -36.4388 -36.4387 -36.4387 -35.2923 -35.2923 -35.2923 -35.2923 -35.1585 -35.1585 -35.1585 -35.1585 -1.8379 -1.8379 -1.8364 -1.8364 5.2948 5.2948 5.2951 5.2951 7.8704 7.8704 7.9331 7.9331 8.1358 8.1358 8.1888 8.1888 10.6662 10.6662 10.6726 10.6726 11.7395 11.7395 11.7680 11.7680 11.8011 11.8011 11.8206 11.8206 12.5575 12.5575 12.5622 12.5622 13.5722 13.5722 k = 0.4598 0.3584 0.3071 ( 5524 PWs) bands (ev): -66.6332 -66.6332 -66.6332 -66.6332 -36.4388 -36.4388 -36.4387 -36.4387 -35.2923 -35.2923 -35.2923 -35.2923 -35.1586 -35.1586 -35.1585 -35.1585 -1.8341 -1.8341 -1.8323 -1.8323 5.3104 5.3104 5.3107 5.3107 7.8284 7.8284 7.8957 7.8957 8.1220 8.1220 8.1783 8.1783 10.6850 10.6850 10.6922 10.6922 11.7331 11.7331 11.7671 11.7671 11.7904 11.7904 11.8140 11.8140 12.5221 12.5221 12.5289 12.5289 13.6212 13.6212 k = 0.4540 0.3683 0.3071 ( 5522 PWs) bands (ev): -66.6330 -66.6330 -66.6330 -66.6330 -36.4388 -36.4388 -36.4387 -36.4387 -35.2923 -35.2923 -35.2923 -35.2923 -35.1586 -35.1586 -35.1585 -35.1585 -1.8298 -1.8298 -1.8277 -1.8277 5.3283 5.3283 5.3285 5.3285 7.7798 7.7798 7.8491 7.8491 8.1108 8.1108 8.1677 8.1677 10.7052 10.7052 10.7130 10.7130 11.7242 11.7242 11.7594 11.7594 11.7835 11.7835 11.8067 11.8067 12.4890 12.4890 12.4981 12.4981 13.6686 13.6686 k = 0.4483 0.3783 0.3071 ( 5510 PWs) bands (ev): -66.6320 -66.6320 -66.6320 -66.6320 -36.4388 -36.4388 -36.4387 -36.4387 -35.2923 -35.2923 -35.2922 -35.2922 -35.1586 -35.1586 -35.1585 -35.1585 -1.8249 -1.8249 -1.8227 -1.8227 5.3486 5.3486 5.3487 5.3487 7.7246 7.7246 7.7945 7.7945 8.1027 8.1027 8.1589 8.1589 10.7287 10.7287 10.7369 10.7369 11.7157 11.7157 11.7496 11.7496 11.7834 11.7834 11.8037 11.8037 12.4613 12.4613 12.4727 12.4727 13.7181 13.7181 k = 0.4425 0.3882 0.3071 ( 5498 PWs) bands (ev): -66.6309 -66.6309 -66.6309 -66.6309 -36.4388 -36.4388 -36.4387 -36.4387 -35.2923 -35.2923 -35.2922 -35.2922 -35.1586 -35.1586 -35.1585 -35.1585 -1.8197 -1.8197 -1.8172 -1.8172 5.3711 5.3711 5.3712 5.3712 7.6641 7.6641 7.7335 7.7335 8.0965 8.0965 8.1511 8.1511 10.7516 10.7516 10.7603 10.7603 11.7054 11.7054 11.7323 11.7323 11.7902 11.7902 11.8019 11.8019 12.4359 12.4359 12.4497 12.4497 13.7672 13.7672 k = 0.4368 0.3982 0.3071 ( 5490 PWs) bands (ev): -66.6302 -66.6302 -66.6302 -66.6302 -36.4388 -36.4388 -36.4387 -36.4387 -35.2923 -35.2923 -35.2922 -35.2922 -35.1586 -35.1586 -35.1585 -35.1585 -1.8140 -1.8140 -1.8113 -1.8113 5.3958 5.3958 5.3961 5.3961 7.5979 7.5979 7.6665 7.6665 8.0913 8.0913 8.1439 8.1439 10.7772 10.7772 10.7861 10.7861 11.6897 11.6897 11.7127 11.7127 11.7954 11.7954 11.8021 11.8021 12.4094 12.4094 12.4254 12.4254 13.8134 13.8134 k = 0.4310 0.4081 0.3071 ( 5502 PWs) bands (ev): -66.6313 -66.6313 -66.6313 -66.6313 -36.4388 -36.4388 -36.4388 -36.4388 -35.2923 -35.2923 -35.2922 -35.2922 -35.1587 -35.1587 -35.1586 -35.1586 -1.8080 -1.8080 -1.8051 -1.8051 5.4225 5.4225 5.4232 5.4232 7.5271 7.5271 7.5948 7.5948 8.0853 8.0853 8.1358 8.1358 10.7967 10.7967 10.8057 10.8057 11.6696 11.6696 11.6902 11.6902 11.7920 11.7920 11.7950 11.7950 12.3825 12.3825 12.4007 12.4007 13.8533 13.8533 k = 0.4253 0.4181 0.3071 ( 5506 PWs) bands (ev): -66.6316 -66.6316 -66.6316 -66.6316 -36.4388 -36.4388 -36.4388 -36.4388 -35.2923 -35.2923 -35.2923 -35.2923 -35.1588 -35.1588 -35.1587 -35.1587 -1.8017 -1.8017 -1.7986 -1.7986 5.4513 5.4513 5.4525 5.4525 7.4526 7.4526 7.5196 7.5196 8.0805 8.0805 8.1290 8.1290 10.8202 10.8202 10.8292 10.8292 11.6493 11.6493 11.6673 11.6673 11.7934 11.7934 11.7941 11.7941 12.3570 12.3570 12.3773 12.3773 13.8928 13.8928 k = 0.4195 0.4280 0.3071 ( 5500 PWs) bands (ev): -66.6311 -66.6311 -66.6311 -66.6311 -36.4389 -36.4389 -36.4388 -36.4388 -35.2923 -35.2923 -35.2923 -35.2923 -35.1588 -35.1588 -35.1587 -35.1587 -1.7952 -1.7952 -1.7919 -1.7919 5.4824 5.4824 5.4842 5.4842 7.3754 7.3754 7.4418 7.4418 8.0766 8.0766 8.1233 8.1233 10.8452 10.8452 10.8541 10.8541 11.6309 11.6309 11.6470 11.6470 11.7977 11.7977 11.8014 11.8014 12.3371 12.3371 12.3595 12.3595 13.9319 13.9319 k = 0.4138 0.4380 0.3071 ( 5506 PWs) bands (ev): -66.6316 -66.6316 -66.6316 -66.6316 -36.4389 -36.4389 -36.4388 -36.4388 -35.2923 -35.2923 -35.2923 -35.2923 -35.1589 -35.1589 -35.1587 -35.1587 -1.7885 -1.7885 -1.7850 -1.7850 5.5153 5.5153 5.5179 5.5179 7.2954 7.2954 7.3615 7.3615 8.0724 8.0724 8.1174 8.1174 10.8693 10.8693 10.8779 10.8779 11.6083 11.6083 11.6230 11.6230 11.8013 11.8013 11.8070 11.8070 12.3114 12.3114 12.3356 12.3356 13.9671 13.9671 k = 0.4080 0.4479 0.3071 ( 5506 PWs) bands (ev): -66.6316 -66.6316 -66.6316 -66.6316 -36.4389 -36.4389 -36.4388 -36.4388 -35.2923 -35.2923 -35.2923 -35.2923 -35.1589 -35.1589 -35.1588 -35.1588 -1.7817 -1.7817 -1.7780 -1.7780 5.5502 5.5502 5.5537 5.5537 7.2144 7.2144 7.2805 7.2805 8.0688 8.0688 8.1124 8.1124 10.8937 10.8937 10.9021 10.9021 11.5861 11.5861 11.5996 11.5996 11.8066 11.8066 11.8144 11.8144 12.2912 12.2912 12.3173 12.3173 14.0021 14.0021 k = 0.4023 0.4579 0.3071 ( 5514 PWs) bands (ev): -66.6323 -66.6323 -66.6323 -66.6323 -36.4389 -36.4389 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1590 -35.1590 -35.1589 -35.1589 -1.7749 -1.7749 -1.7711 -1.7711 5.5867 5.5867 5.5916 5.5916 7.1322 7.1322 7.1988 7.1988 8.0646 8.0646 8.1070 8.1070 10.9163 10.9163 10.9244 10.9244 11.5613 11.5613 11.5739 11.5739 11.8103 11.8103 11.8200 11.8200 12.2711 12.2711 12.2991 12.2991 14.0325 14.0325 k = 0.3966 0.4679 0.3071 ( 5514 PWs) bands (ev): -66.6323 -66.6323 -66.6323 -66.6323 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1591 -35.1591 -35.1589 -35.1589 -1.7682 -1.7682 -1.7641 -1.7641 5.6250 5.6250 5.6314 5.6314 7.0498 7.0498 7.1172 7.1172 8.0614 8.0614 8.1026 8.1026 10.9404 10.9404 10.9482 10.9482 11.5380 11.5380 11.5501 11.5501 11.8194 11.8194 11.8307 11.8307 12.2528 12.2528 12.2827 12.2827 14.0634 14.0634 k = 0.3908 0.4778 0.3071 ( 5518 PWs) bands (ev): -66.6327 -66.6327 -66.6327 -66.6327 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1591 -35.1591 -35.1590 -35.1590 -1.7615 -1.7615 -1.7573 -1.7573 5.6648 5.6648 5.6732 5.6732 6.9671 6.9671 7.0360 7.0360 8.0579 8.0579 8.0982 8.0982 10.9637 10.9637 10.9710 10.9710 11.5140 11.5140 11.5257 11.5257 11.8292 11.8292 11.8416 11.8416 12.2336 12.2336 12.2653 12.2653 14.0907 14.0907 k = 0.3851 0.4878 0.3071 ( 5514 PWs) bands (ev): -66.6323 -66.6323 -66.6323 -66.6323 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1592 -35.1592 -35.1590 -35.1590 -1.7551 -1.7551 -1.7508 -1.7508 5.7059 5.7059 5.7168 5.7168 6.8855 6.8855 6.9564 6.9564 8.0555 8.0555 8.0951 8.0951 10.9871 10.9871 10.9943 10.9943 11.4923 11.4923 11.5037 11.5037 11.8422 11.8422 11.8565 11.8565 12.2158 12.2158 12.2497 12.2497 14.1195 14.1195 k = 0.3793 0.4977 0.3071 ( 5498 PWs) bands (ev): -66.6309 -66.6309 -66.6309 -66.6309 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1592 -35.1592 -35.1590 -35.1590 -1.7490 -1.7490 -1.7445 -1.7445 5.7481 5.7481 5.7622 5.7622 6.8051 6.8051 6.8789 6.8789 8.0547 8.0547 8.0937 8.0937 11.0149 11.0149 11.0219 11.0219 11.4721 11.4721 11.4835 11.4835 11.8586 11.8586 11.8746 11.8746 12.2012 12.2012 12.2374 12.2374 14.1504 14.1504 k = 0.3736 0.5077 0.3071 ( 5490 PWs) bands (ev): -66.6302 -66.6302 -66.6302 -66.6302 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1592 -35.1592 -35.1590 -35.1590 -1.7432 -1.7432 -1.7386 -1.7386 5.7910 5.7910 5.8092 5.8092 6.7261 6.7261 6.8037 6.8037 8.0524 8.0524 8.0909 8.0909 11.0369 11.0369 11.0437 11.0437 11.4516 11.4516 11.4630 11.4630 11.8783 11.8783 11.8965 11.8965 12.1862 12.1862 12.2251 12.2251 14.1739 14.1739 k = 0.3678 0.5176 0.3071 ( 5488 PWs) bands (ev): -66.6301 -66.6301 -66.6301 -66.6301 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1592 -35.1592 -35.1590 -35.1590 -1.7379 -1.7379 -1.7333 -1.7333 5.8338 5.8338 5.8575 5.8575 6.6492 6.6492 6.7319 6.7319 8.0500 8.0500 8.0880 8.0880 11.0563 11.0563 11.0629 11.0629 11.4311 11.4311 11.4426 11.4426 11.8971 11.8971 11.9185 11.9185 12.1679 12.1679 12.2105 12.2105 14.1936 14.1936 k = 0.3621 0.5276 0.3071 ( 5480 PWs) bands (ev): -66.6294 -66.6294 -66.6294 -66.6294 -36.4390 -36.4390 -36.4389 -36.4389 -35.2923 -35.2923 -35.2923 -35.2923 -35.1592 -35.1592 -35.1590 -35.1590 -1.7332 -1.7332 -1.7285 -1.7285 5.8759 5.8759 5.9066 5.9066 6.5753 6.5753 6.6648 6.6648 8.0489 8.0489 8.0867 8.0867 11.0786 11.0786 11.0851 11.0851 11.4156 11.4156 11.4275 11.4275 11.9100 11.9100 11.9342 11.9342 12.1508 12.1508 12.1970 12.1970 14.2153 14.2153 k = 0.3563 0.5375 0.3071 ( 5480 PWs) bands (ev): -66.6294 -66.6294 -66.6294 -66.6294 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1593 -35.1593 -35.1591 -35.1591 -1.7292 -1.7292 -1.7243 -1.7243 5.9159 5.9159 5.9561 5.9561 6.5050 6.5050 6.6038 6.6038 8.0473 8.0473 8.0848 8.0848 11.0952 11.0952 11.1019 11.1019 11.3981 11.3981 11.4106 11.4106 11.9223 11.9223 11.9503 11.9503 12.1345 12.1345 12.1850 12.1850 14.2307 14.2307 k = 0.3506 0.5475 0.3071 ( 5480 PWs) bands (ev): -66.6294 -66.6294 -66.6294 -66.6294 -36.4390 -36.4390 -36.4389 -36.4389 -35.2923 -35.2923 -35.2923 -35.2923 -35.1593 -35.1593 -35.1591 -35.1591 -1.7259 -1.7259 -1.7210 -1.7210 5.9521 5.9521 6.0047 6.0047 6.4397 6.4397 6.5508 6.5508 8.0470 8.0470 8.0845 8.0845 11.1129 11.1129 11.1197 11.1197 11.3814 11.3814 11.3944 11.3944 11.9304 11.9304 11.9628 11.9628 12.1155 12.1155 12.1710 12.1710 14.2472 14.2472 k = 0.3448 0.5574 0.3071 ( 5480 PWs) bands (ev): -66.6294 -66.6294 -66.6294 -66.6294 -36.4390 -36.4390 -36.4389 -36.4389 -35.2923 -35.2923 -35.2923 -35.2923 -35.1593 -35.1593 -35.1591 -35.1591 -1.7234 -1.7234 -1.7185 -1.7185 5.9817 5.9817 6.0499 6.0499 6.3825 6.3825 6.5091 6.5091 8.0461 8.0461 8.0834 8.0834 11.1237 11.1237 11.1309 11.1309 11.3697 11.3697 11.3833 11.3833 11.9393 11.9393 11.9768 11.9768 12.1016 12.1016 12.1626 12.1626 14.2564 14.2564 k = 0.3391 0.5674 0.3071 ( 5480 PWs) bands (ev): -66.6294 -66.6294 -66.6294 -66.6294 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1593 -35.1593 -35.1591 -35.1591 -1.7219 -1.7219 -1.7169 -1.7169 6.0015 6.0015 6.0857 6.0857 6.3394 6.3394 6.4819 6.4819 8.0455 8.0455 8.0827 8.0827 11.1305 11.1305 11.1380 11.1380 11.3622 11.3622 11.3763 11.3763 11.9452 11.9452 11.9873 11.9873 12.0913 12.0913 12.1571 12.1571 14.2621 14.2621 k = 0.3333 0.5774 0.3071 ( 5478 PWs) bands (ev): -66.6293 -66.6293 -66.6293 -66.6293 -36.4390 -36.4390 -36.4389 -36.4389 -35.2923 -35.2923 -35.2923 -35.2923 -35.1593 -35.1593 -35.1591 -35.1591 -1.7213 -1.7213 -1.7164 -1.7164 6.0085 6.0085 6.1003 6.1003 6.3223 6.3223 6.4725 6.4725 8.0456 8.0456 8.0828 8.0828 11.1340 11.1340 11.1416 11.1416 11.3598 11.3598 11.3741 11.3741 11.9473 11.9473 11.9914 11.9914 12.0873 12.0873 12.1552 12.1552 14.2652 14.2652 k = 0.3333 0.5774 0.3071 ( 5478 PWs) bands (ev): -66.6293 -66.6293 -66.6293 -66.6293 -36.4390 -36.4390 -36.4389 -36.4389 -35.2923 -35.2923 -35.2923 -35.2923 -35.1593 -35.1593 -35.1591 -35.1591 -1.7213 -1.7213 -1.7164 -1.7164 6.0085 6.0085 6.1003 6.1003 6.3223 6.3223 6.4725 6.4725 8.0456 8.0456 8.0828 8.0828 11.1340 11.1340 11.1416 11.1416 11.3598 11.3598 11.3741 11.3741 11.9473 11.9473 11.9914 11.9914 12.0873 12.0873 12.1552 12.1552 14.2652 14.2652 k = 0.3276 0.5674 0.3071 ( 5482 PWs) bands (ev): -66.6296 -66.6296 -66.6296 -66.6296 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1593 -35.1593 -35.1591 -35.1591 -1.7219 -1.7219 -1.7170 -1.7170 6.0018 6.0018 6.0862 6.0862 6.3388 6.3388 6.4817 6.4817 8.0451 8.0451 8.0824 8.0824 11.1294 11.1294 11.1369 11.1369 11.3621 11.3621 11.3762 11.3762 11.9451 11.9451 11.9872 11.9872 12.0914 12.0914 12.1572 12.1572 14.2608 14.2608 k = 0.3218 0.5574 0.3071 ( 5482 PWs) bands (ev): -66.6296 -66.6296 -66.6296 -66.6296 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1593 -35.1593 -35.1591 -35.1591 -1.7236 -1.7236 -1.7187 -1.7187 5.9840 5.9840 6.0534 6.0534 6.3793 6.3793 6.5071 6.5071 8.0458 8.0458 8.0831 8.0831 11.1230 11.1230 11.1302 11.1302 11.3691 11.3691 11.3827 11.3827 11.9388 11.9388 11.9761 11.9761 12.1020 12.1020 12.1628 12.1628 14.2546 14.2546 k = 0.3161 0.5475 0.3071 ( 5484 PWs) bands (ev): -66.6298 -66.6298 -66.6298 -66.6298 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1593 -35.1593 -35.1591 -35.1591 -1.7266 -1.7266 -1.7217 -1.7217 5.9589 5.9589 6.0138 6.0138 6.4316 6.4316 6.5450 6.5450 8.0460 8.0460 8.0833 8.0833 11.1097 11.1097 11.1165 11.1165 11.3820 11.3820 11.3946 11.3946 11.9304 11.9304 11.9632 11.9632 12.1167 12.1167 12.1723 12.1723 14.2404 14.2405 k = 0.3103 0.5375 0.3071 ( 5484 PWs) bands (ev): -66.6297 -66.6297 -66.6297 -66.6297 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1593 -35.1593 -35.1591 -35.1591 -1.7308 -1.7308 -1.7260 -1.7260 5.9303 5.9303 5.9736 5.9736 6.4899 6.4899 6.5918 6.5918 8.0476 8.0476 8.0850 8.0850 11.0975 11.0975 11.1038 11.1038 11.3955 11.3955 11.4073 11.4073 11.9148 11.9148 11.9419 11.9419 12.1361 12.1361 12.1855 12.1855 14.2255 14.2255 k = 0.3046 0.5276 0.3071 ( 5494 PWs) bands (ev): -66.6306 -66.6306 -66.6306 -66.6306 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1592 -35.1592 -35.1591 -35.1591 -1.7365 -1.7365 -1.7317 -1.7317 5.9006 5.9006 5.9351 5.9351 6.5515 6.5515 6.6445 6.6445 8.0486 8.0486 8.0860 8.0860 11.0802 11.0802 11.0864 11.0864 11.4058 11.4058 11.4165 11.4165 11.8986 11.8986 11.9224 11.9224 12.1523 12.1523 12.1975 12.1975 14.2020 14.2020 k = 0.2989 0.5176 0.3071 ( 5510 PWs) bands (ev): -66.6320 -66.6320 -66.6320 -66.6320 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1592 -35.1592 -35.1591 -35.1591 -1.7435 -1.7435 -1.7389 -1.7389 5.8717 5.8717 5.8994 5.8994 6.6152 6.6152 6.7015 6.7015 8.0501 8.0501 8.0875 8.0875 11.0622 11.0622 11.0682 11.0682 11.4188 11.4188 11.4288 11.4288 11.8734 11.8734 11.8943 11.8943 12.1653 12.1653 12.2067 12.2067 14.1746 14.1746 k = 0.2931 0.5077 0.3071 ( 5506 PWs) bands (ev): -66.6317 -66.6317 -66.6317 -66.6317 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1592 -35.1592 -35.1590 -35.1590 -1.7520 -1.7520 -1.7474 -1.7474 5.8452 5.8452 5.8677 5.8677 6.6808 6.6808 6.7620 6.7620 8.0531 8.0531 8.0907 8.0907 11.0467 11.0467 11.0525 11.0525 11.4355 11.4355 11.4444 11.4444 11.8563 11.8563 11.8753 11.8753 12.1856 12.1856 12.2240 12.2240 14.1473 14.1473 k = 0.2874 0.4977 0.3071 ( 5502 PWs) bands (ev): -66.6313 -66.6313 -66.6313 -66.6313 -36.4390 -36.4390 -36.4389 -36.4389 -35.2924 -35.2924 -35.2923 -35.2923 -35.1591 -35.1591 -35.1589 -35.1589 -1.7619 -1.7619 -1.7575 -1.7575 5.8215 5.8215 5.8400 5.8400 6.7475 6.7475 6.8246 6.8246 8.0568 8.0568 8.0943 8.0943 11.0316 11.0316 11.0376 11.0376 11.4524 11.4524 11.4600 11.4600 11.8394 11.8394 11.8577 11.8577 12.2035 12.2035 12.2396 12.2396 14.1155 14.1155 k = 0.2816 0.4878 0.3071 ( 5502 PWs) bands (ev): -66.6313 -66.6313 -66.6313 -66.6313 -36.4389 -36.4389 -36.4389 -36.4389 -35.2923 -35.2923 -35.2923 -35.2923 -35.1590 -35.1590 -35.1589 -35.1589 -1.7734 -1.7734 -1.7690 -1.7690 5.8011 5.8011 5.8165 5.8165 6.8151 6.8151 6.8890 6.8890 8.0603 8.0603 8.0979 8.0979 11.0144 11.0144 11.0201 11.0201 11.4670 11.4670 11.4732 11.4732 11.8232 11.8232 11.8409 11.8409 12.2202 12.2202 12.2542 12.2542 14.0804 14.0804 k = 0.2759 0.4778 0.3071 ( 5502 PWs) bands (ev): -66.6313 -66.6313 -66.6313 -66.6313 -36.4389 -36.4389 -36.4388 -36.4388 -35.2923 -35.2923 -35.2923 -35.2923 -35.1590 -35.1590 -35.1588 -35.1588 -1.7863 -1.7863 -1.7821 -1.7821 5.7845 5.7845 5.7973 5.7973 6.8832 6.8832 6.9545 6.9545 8.0645 8.0645 8.1020 8.1020 10.9980 10.9980 11.0038 11.0038 11.4798 11.4798 11.4844 11.4844 11.8100 11.8100 11.8282 11.8282 12.2338 12.2338 12.2663 12.2663 14.0413 14.0413 k = 0.2701 0.4679 0.3071 ( 5498 PWs) bands (ev): -66.6310 -66.6310 -66.6310 -66.6310 -36.4389 -36.4389 -36.4388 -36.4388 -35.2923 -35.2923 -35.2922 -35.2922 -35.1588 -35.1588 -35.1587 -35.1587 -1.8007 -1.8007 -1.7966 -1.7966 5.7718 5.7718 5.7826 5.7826 6.9519 6.9519 7.0209 7.0209 8.0693 8.0693 8.1066 8.1066 10.9823 10.9823 10.9883 10.9883 11.4907 11.4907 11.4935 11.4935 11.8021 11.8021 11.8213 11.8213 12.2472 12.2472 12.2784 12.2784 14.0000 14.0000 k = 0.2644 0.4579 0.3071 ( 5502 PWs) bands (ev): -66.6314 -66.6314 -66.6314 -66.6314 -36.4388 -36.4388 -36.4387 -36.4387 -35.2923 -35.2923 -35.2922 -35.2922 -35.1588 -35.1588 -35.1586 -35.1586 -1.8166 -1.8166 -1.8127 -1.8127 5.7631 5.7631 5.7723 5.7723 7.0205 7.0205 7.0876 7.0876 8.0740 8.0740 8.1112 8.1112 10.9667 10.9667 10.9731 10.9731 11.4969 11.4969 11.4983 11.4983 11.7908 11.7908 11.8107 11.8107 12.2591 12.2591 12.2889 12.2889 13.9543 13.9543 k = 0.2586 0.4479 0.3071 ( 5494 PWs) bands (ev): -66.6307 -66.6307 -66.6307 -66.6307 -36.4388 -36.4388 -36.4387 -36.4387 -35.2922 -35.2922 -35.2922 -35.2922 -35.1586 -35.1586 -35.1585 -35.1585 -1.8340 -1.8340 -1.8302 -1.8302 5.7588 5.7588 5.7665 5.7665 7.0896 7.0896 7.1550 7.1550 8.0802 8.0802 8.1170 8.1170 10.9536 10.9536 10.9602 10.9602 11.5016 11.5016 11.5016 11.5016 11.7867 11.7867 11.8074 11.8074 12.2741 12.2741 12.3027 12.3027 13.9120 13.9120 k = 0.2529 0.4380 0.3071 ( 5490 PWs) bands (ev): -66.6304 -66.6304 -66.6304 -66.6304 -36.4387 -36.4387 -36.4386 -36.4386 -35.2922 -35.2922 -35.2921 -35.2921 -35.1585 -35.1585 -35.1583 -35.1583 -1.8527 -1.8527 -1.8491 -1.8491 5.7586 5.7586 5.7653 5.7653 7.1586 7.1586 7.2224 7.2224 8.0864 8.0864 8.1229 8.1229 10.9399 10.9399 10.9470 10.9470 11.4987 11.4987 11.4999 11.4999 11.7854 11.7854 11.8071 11.8071 12.2882 12.2882 12.3158 12.3158 13.8669 13.8669 k = 0.2471 0.4280 0.3071 ( 5486 PWs) bands (ev): -66.6301 -66.6301 -66.6301 -66.6301 -36.4387 -36.4387 -36.4386 -36.4386 -35.2921 -35.2921 -35.2921 -35.2921 -35.1584 -35.1584 -35.1582 -35.1582 -1.8729 -1.8729 -1.8694 -1.8694 5.7627 5.7627 5.7684 5.7684 7.2272 7.2272 7.2894 7.2894 8.0931 8.0931 8.1290 8.1290 10.9271 10.9271 10.9350 10.9350 11.4927 11.4927 11.4943 11.4943 11.7884 11.7884 11.8108 11.8108 12.3008 12.3008 12.3274 12.3274 13.8203 13.8203 k = 0.2414 0.4181 0.3071 ( 5490 PWs) bands (ev): -66.6304 -66.6304 -66.6304 -66.6304 -36.4386 -36.4386 -36.4385 -36.4385 -35.2921 -35.2921 -35.2921 -35.2921 -35.1582 -35.1582 -35.1581 -35.1581 -1.8944 -1.8944 -1.8911 -1.8911 5.7708 5.7708 5.7757 5.7757 7.2954 7.2954 7.3560 7.3560 8.0996 8.0996 8.1347 8.1347 10.9120 10.9120 10.9206 10.9206 11.4840 11.4840 11.4857 11.4857 11.7908 11.7908 11.8137 11.8137 12.3101 12.3101 12.3360 12.3360 13.7729 13.7729 k = 0.2356 0.4081 0.3071 ( 5492 PWs) bands (ev): -66.6307 -66.6307 -66.6307 -66.6307 -36.4385 -36.4385 -36.4385 -36.4385 -35.2921 -35.2921 -35.2920 -35.2920 -35.1581 -35.1581 -35.1580 -35.1580 -1.9171 -1.9171 -1.9140 -1.9140 5.7829 5.7829 5.7871 5.7871 7.3626 7.3626 7.4216 7.4216 8.1069 8.1069 8.1410 8.1410 10.9001 10.9001 10.9094 10.9094 11.4691 11.4691 11.4706 11.4706 11.8017 11.8017 11.8249 11.8249 12.3169 12.3169 12.3421 12.3421 13.7255 13.7255 k = 0.2299 0.3982 0.3071 ( 5500 PWs) bands (ev): -66.6314 -66.6314 -66.6314 -66.6314 -36.4385 -36.4385 -36.4384 -36.4384 -35.2920 -35.2920 -35.2920 -35.2920 -35.1580 -35.1580 -35.1578 -35.1578 -1.9411 -1.9411 -1.9381 -1.9381 5.7990 5.7990 5.8027 5.8027 7.4292 7.4292 7.4863 7.4863 8.1146 8.1146 8.1474 8.1474 10.8868 10.8868 10.8970 10.8970 11.4493 11.4493 11.4500 11.4500 11.8128 11.8128 11.8366 11.8366 12.3225 12.3225 12.3475 12.3475 13.6782 13.6782 k = 0.2241 0.3882 0.3071 ( 5496 PWs) bands (ev): -66.6311 -66.6311 -66.6311 -66.6311 -36.4384 -36.4384 -36.4384 -36.4384 -35.2920 -35.2920 -35.2920 -35.2920 -35.1578 -35.1578 -35.1577 -35.1577 -1.9661 -1.9661 -1.9633 -1.9633 5.8192 5.8192 5.8223 5.8223 7.4950 7.4950 7.5500 7.5500 8.1233 8.1233 8.1546 8.1546 10.8772 10.8772 10.8884 10.8884 11.4324 11.4324 11.4326 11.4326 11.8291 11.8291 11.8533 11.8533 12.3296 12.3296 12.3544 12.3544 13.6346 13.6346 k = 0.2184 0.3783 0.3071 ( 5496 PWs) bands (ev): -66.6311 -66.6311 -66.6311 -66.6311 -36.4384 -36.4384 -36.4383 -36.4383 -35.2920 -35.2920 -35.2919 -35.2919 -35.1576 -35.1576 -35.1575 -35.1575 -1.9921 -1.9921 -1.9895 -1.9895 5.8429 5.8429 5.8456 5.8456 7.5597 7.5597 7.6121 7.6121 8.1324 8.1324 8.1618 8.1618 10.8685 10.8685 10.8808 10.8808 11.4110 11.4110 11.4123 11.4123 11.8461 11.8461 11.8709 11.8709 12.3341 12.3341 12.3589 12.3589 13.5921 13.5921 k = 0.2126 0.3683 0.3071 ( 5492 PWs) bands (ev): -66.6307 -66.6307 -66.6307 -66.6307 -36.4383 -36.4383 -36.4382 -36.4382 -35.2919 -35.2919 -35.2919 -35.2919 -35.1574 -35.1574 -35.1573 -35.1573 -2.0191 -2.0191 -2.0166 -2.0166 5.8704 5.8704 5.8727 5.8727 7.6233 7.6233 7.6731 7.6731 8.1422 8.1422 8.1693 8.1693 10.8603 10.8603 10.8736 10.8736 11.3891 11.3891 11.3914 11.3914 11.8675 11.8675 11.8931 11.8931 12.3385 12.3385 12.3634 12.3634 13.5532 13.5532 k = 0.2069 0.3584 0.3071 ( 5484 PWs) bands (ev): -66.6300 -66.6300 -66.6300 -66.6300 -36.4382 -36.4382 -36.4381 -36.4381 -35.2918 -35.2918 -35.2918 -35.2918 -35.1572 -35.1572 -35.1571 -35.1571 -2.0468 -2.0468 -2.0445 -2.0445 5.9011 5.9011 5.9031 5.9031 7.6853 7.6853 7.7317 7.7317 8.1533 8.1533 8.1775 8.1775 10.8584 10.8584 10.8729 10.8729 11.3671 11.3671 11.3705 11.3705 11.8872 11.8872 11.9137 11.9137 12.3419 12.3419 12.3672 12.3672 13.5172 13.5172 k = 0.2011 0.3484 0.3071 ( 5484 PWs) bands (ev): -66.6301 -66.6301 -66.6301 -66.6301 -36.4381 -36.4381 -36.4381 -36.4381 -35.2918 -35.2918 -35.2917 -35.2917 -35.1570 -35.1570 -35.1569 -35.1569 -2.0753 -2.0753 -2.0731 -2.0731 5.9348 5.9348 5.9365 5.9365 7.7455 7.7455 7.7878 7.7878 8.1646 8.1646 8.1852 8.1852 10.8528 10.8528 10.8682 10.8682 11.3479 11.3479 11.3523 11.3523 11.9049 11.9049 11.9329 11.9329 12.3406 12.3406 12.3667 12.3667 13.4824 13.4824 k = 0.1954 0.3384 0.3071 ( 5484 PWs) bands (ev): -66.6301 -66.6301 -66.6301 -66.6301 -36.4380 -36.4380 -36.4380 -36.4380 -35.2917 -35.2917 -35.2917 -35.2917 -35.1568 -35.1568 -35.1567 -35.1567 -2.1044 -2.1044 -2.1024 -2.1024 5.9717 5.9717 5.9731 5.9731 7.8037 7.8037 7.8408 7.8408 8.1771 8.1771 8.1929 8.1929 10.8493 10.8493 10.8660 10.8660 11.3271 11.3271 11.3326 11.3326 11.9216 11.9216 11.9510 11.9510 12.3418 12.3418 12.3689 12.3689 13.4481 13.4481 k = 0.1897 0.3285 0.3071 ( 5488 PWs) bands (ev): -66.6304 -66.6304 -66.6304 -66.6304 -36.4380 -36.4380 -36.4379 -36.4379 -35.2917 -35.2917 -35.2917 -35.2917 -35.1566 -35.1566 -35.1566 -35.1566 -2.1340 -2.1340 -2.1322 -2.1322 6.0109 6.0109 6.0120 6.0120 7.8598 7.8598 7.8907 7.8907 8.1911 8.1911 8.2013 8.2013 10.8471 10.8471 10.8651 10.8651 11.3054 11.3054 11.3124 11.3124 11.9375 11.9375 11.9691 11.9691 12.3368 12.3368 12.3654 12.3654 13.4179 13.4179 k = 0.1839 0.3185 0.3071 ( 5480 PWs) bands (ev): -66.6298 -66.6298 -66.6298 -66.6298 -36.4379 -36.4379 -36.4378 -36.4378 -35.2916 -35.2916 -35.2916 -35.2916 -35.1564 -35.1564 -35.1563 -35.1563 -2.1640 -2.1640 -2.1623 -2.1623 6.0530 6.0530 6.0539 6.0539 7.9143 7.9143 7.9377 7.9377 8.2072 8.2072 8.2105 8.2105 10.8484 10.8484 10.8676 10.8676 11.2860 11.2860 11.2942 11.2942 11.9551 11.9551 11.9890 11.9890 12.3379 12.3379 12.3683 12.3683 13.3935 13.3935 k = 0.1782 0.3086 0.3071 ( 5486 PWs) bands (ev): -66.6303 -66.6303 -66.6303 -66.6303 -36.4378 -36.4378 -36.4377 -36.4377 -35.2916 -35.2916 -35.2915 -35.2915 -35.1562 -35.1562 -35.1561 -35.1561 -2.1943 -2.1943 -2.1927 -2.1927 6.0968 6.0968 6.0974 6.0974 7.9655 7.9655 7.9800 7.9800 8.2201 8.2201 8.2251 8.2251 10.8481 10.8481 10.8687 10.8687 11.2666 11.2666 11.2761 11.2761 11.9646 11.9646 12.0013 12.0013 12.3330 12.3330 12.3655 12.3655 13.3707 13.3707 k = 0.1724 0.2986 0.3071 ( 5482 PWs) bands (ev): -66.6300 -66.6300 -66.6300 -66.6300 -36.4377 -36.4377 -36.4376 -36.4376 -35.2915 -35.2915 -35.2915 -35.2915 -35.1560 -35.1560 -35.1559 -35.1559 -2.2247 -2.2247 -2.2233 -2.2233 6.1427 6.1427 6.1431 6.1431 8.0145 8.0145 8.0186 8.0186 8.2310 8.2310 8.2458 8.2458 10.8523 10.8523 10.8746 10.8746 11.2476 11.2476 11.2587 11.2587 11.9752 11.9752 12.0146 12.0146 12.3324 12.3324 12.3671 12.3671 13.3536 13.3536 k = 0.1667 0.2887 0.3071 ( 5482 PWs) bands (ev): -66.6300 -66.6300 -66.6300 -66.6300 -36.4376 -36.4376 -36.4376 -36.4376 -35.2914 -35.2914 -35.2914 -35.2914 -35.1558 -35.1558 -35.1557 -35.1557 -2.2553 -2.2553 -2.2540 -2.2540 6.1901 6.1901 6.1902 6.1902 8.0520 8.0520 8.0598 8.0598 8.2430 8.2430 8.2689 8.2689 10.8554 10.8554 10.8791 10.8791 11.2323 11.2323 11.2449 11.2449 11.9807 11.9807 12.0222 12.0222 12.3343 12.3343 12.3706 12.3706 13.3376 13.3376 k = 0.1609 0.2787 0.3071 ( 5498 PWs) bands (ev): -66.6314 -66.6314 -66.6314 -66.6314 -36.4375 -36.4375 -36.4375 -36.4375 -35.2914 -35.2914 -35.2914 -35.2914 -35.1556 -35.1556 -35.1555 -35.1555 -2.2858 -2.2858 -2.2847 -2.2847 6.2381 6.2381 6.2382 6.2382 8.0805 8.0805 8.1005 8.1005 8.2566 8.2566 8.2938 8.2938 10.8585 10.8585 10.8838 10.8838 11.2130 11.2130 11.2271 11.2271 11.9761 11.9761 12.0190 12.0190 12.3339 12.3339 12.3709 12.3709 13.3222 13.3222 k = 0.1552 0.2688 0.3071 ( 5506 PWs) bands (ev): -66.6321 -66.6321 -66.6321 -66.6321 -36.4375 -36.4375 -36.4374 -36.4374 -35.2914 -35.2914 -35.2914 -35.2914 -35.1554 -35.1554 -35.1553 -35.1553 -2.3162 -2.3162 -2.3152 -2.3152 6.2872 6.2872 6.2875 6.2875 8.1057 8.1057 8.1371 8.1371 8.2729 8.2729 8.3207 8.3207 10.8637 10.8637 10.8904 10.8904 11.1969 11.1969 11.2123 11.2123 11.9686 11.9686 12.0115 12.0115 12.3421 12.3421 12.3788 12.3788 13.3123 13.3123 k = 0.1494 0.2588 0.3071 ( 5502 PWs) bands (ev): -66.6318 -66.6318 -66.6318 -66.6318 -36.4374 -36.4374 -36.4373 -36.4373 -35.2913 -35.2913 -35.2913 -35.2913 -35.1552 -35.1552 -35.1551 -35.1551 -2.3464 -2.3464 -2.3455 -2.3455 6.3373 6.3373 6.3378 6.3378 8.1287 8.1287 8.1691 8.1691 8.2938 8.2938 8.3497 8.3497 10.8698 10.8698 10.8977 10.8977 11.1837 11.1837 11.2004 11.2004 11.9629 11.9629 12.0045 12.0045 12.3596 12.3596 12.3947 12.3947 13.3084 13.3084 k = 0.1437 0.2489 0.3071 ( 5510 PWs) bands (ev): -66.6326 -66.6326 -66.6326 -66.6326 -36.4373 -36.4373 -36.4373 -36.4373 -35.2913 -35.2913 -35.2913 -35.2913 -35.1550 -35.1550 -35.1549 -35.1549 -2.3763 -2.3763 -2.3754 -2.3754 6.3872 6.3872 6.3878 6.3878 8.1486 8.1486 8.1949 8.1949 8.3172 8.3172 8.3779 8.3779 10.8777 10.8777 10.9069 10.9069 11.1716 11.1716 11.1896 11.1896 11.9458 11.9458 11.9855 11.9855 12.3778 12.3778 12.4103 12.4103 13.3021 13.3021 k = 0.1379 0.2389 0.3071 ( 5512 PWs) bands (ev): -66.6328 -66.6328 -66.6328 -66.6328 -36.4372 -36.4372 -36.4372 -36.4372 -35.2912 -35.2912 -35.2912 -35.2912 -35.1547 -35.1547 -35.1547 -35.1547 -2.4057 -2.4057 -2.4049 -2.4049 6.4369 6.4369 6.4377 6.4377 8.1675 8.1675 8.2168 8.2168 8.3435 8.3435 8.4063 8.4063 10.8869 10.8869 10.9168 10.9168 11.1651 11.1651 11.1836 11.1836 11.9251 11.9251 11.9624 11.9624 12.4023 12.4023 12.4316 12.4316 13.2991 13.2991 k = 0.1322 0.2289 0.3071 ( 5512 PWs) bands (ev): -66.6328 -66.6328 -66.6328 -66.6328 -36.4371 -36.4371 -36.4371 -36.4371 -35.2912 -35.2912 -35.2911 -35.2911 -35.1545 -35.1545 -35.1545 -35.1545 -2.4346 -2.4346 -2.4339 -2.4339 6.4866 6.4866 6.4875 6.4875 8.1861 8.1861 8.2363 8.2363 8.3719 8.3719 8.4344 8.4344 10.8953 10.8953 10.9259 10.9259 11.1564 11.1564 11.1758 11.1758 11.9023 11.9023 11.9366 11.9366 12.4344 12.4344 12.4602 12.4602 13.3003 13.3003 k = 0.1264 0.2190 0.3071 ( 5508 PWs) bands (ev): -66.6325 -66.6325 -66.6325 -66.6325 -36.4370 -36.4370 -36.4370 -36.4370 -35.2911 -35.2911 -35.2911 -35.2911 -35.1543 -35.1543 -35.1543 -35.1543 -2.4629 -2.4629 -2.4623 -2.4623 6.5353 6.5353 6.5363 6.5363 8.2048 8.2048 8.2540 8.2540 8.4017 8.4017 8.4622 8.4622 10.9064 10.9064 10.9374 10.9374 11.1509 11.1509 11.1707 11.1707 11.8744 11.8744 11.9059 11.9059 12.4697 12.4697 12.4925 12.4925 13.3066 13.3066 k = 0.1207 0.2090 0.3071 ( 5498 PWs) bands (ev): -66.6317 -66.6317 -66.6317 -66.6317 -36.4369 -36.4369 -36.4369 -36.4369 -35.2910 -35.2910 -35.2910 -35.2910 -35.1541 -35.1541 -35.1540 -35.1540 -2.4905 -2.4905 -2.4900 -2.4900 6.5832 6.5832 6.5844 6.5844 8.2244 8.2244 8.2717 8.2717 8.4313 8.4313 8.4887 8.4887 10.9187 10.9187 10.9505 10.9505 11.1462 11.1462 11.1670 11.1670 11.8465 11.8465 11.8751 11.8751 12.5119 12.5119 12.5312 12.5312 13.3146 13.3146 k = 0.1149 0.1991 0.3071 ( 5500 PWs) bands (ev): -66.6319 -66.6319 -66.6319 -66.6319 -36.4368 -36.4368 -36.4368 -36.4368 -35.2909 -35.2909 -35.2909 -35.2909 -35.1539 -35.1539 -35.1538 -35.1538 -2.5173 -2.5173 -2.5169 -2.5169 6.6290 6.6290 6.6303 6.6303 8.2438 8.2438 8.2890 8.2890 8.4591 8.4591 8.5134 8.5134 10.9285 10.9285 10.9606 10.9606 11.1413 11.1413 11.1627 11.1627 11.8138 11.8138 11.8397 11.8397 12.5525 12.5525 12.5687 12.5687 13.3208 13.3208 k = 0.1092 0.1891 0.3071 ( 5496 PWs) bands (ev): -66.6316 -66.6316 -66.6316 -66.6316 -36.4367 -36.4367 -36.4367 -36.4367 -35.2909 -35.2909 -35.2909 -35.2909 -35.1536 -35.1536 -35.1536 -35.1536 -2.5433 -2.5433 -2.5430 -2.5430 6.6734 6.6734 6.6747 6.6747 8.2644 8.2644 8.3069 8.3069 8.4858 8.4858 8.5363 8.5363 10.9416 10.9416 10.9739 10.9739 11.1380 11.1380 11.1599 11.1599 11.7821 11.7821 11.8056 11.8056 12.5965 12.5965 12.6098 12.6098 13.3281 13.3281 k = 0.1034 0.1792 0.3071 ( 5496 PWs) bands (ev): -66.6317 -66.6317 -66.6317 -66.6317 -36.4366 -36.4366 -36.4366 -36.4366 -35.2908 -35.2908 -35.2908 -35.2908 -35.1535 -35.1535 -35.1534 -35.1534 -2.5684 -2.5684 -2.5681 -2.5681 6.7154 6.7154 6.7167 6.7167 8.2856 8.2856 8.3255 8.3255 8.5110 8.5110 8.5579 8.5579 10.9545 10.9545 10.9868 10.9868 11.1357 11.1357 11.1579 11.1579 11.7452 11.7452 11.7664 11.7664 12.6434 12.6434 12.6539 12.6539 13.3356 13.3356 k = 0.0977 0.1692 0.3071 ( 5504 PWs) bands (ev): -66.6324 -66.6324 -66.6324 -66.6324 -36.4366 -36.4366 -36.4366 -36.4366 -35.2908 -35.2908 -35.2908 -35.2908 -35.1533 -35.1533 -35.1533 -35.1533 -2.5926 -2.5926 -2.5923 -2.5923 6.7550 6.7550 6.7562 6.7562 8.3079 8.3079 8.3447 8.3447 8.5344 8.5344 8.5772 8.5772 10.9656 10.9656 10.9978 10.9978 11.1323 11.1323 11.1547 11.1547 11.7027 11.7027 11.7217 11.7217 12.6925 12.6925 12.7004 12.7004 13.3424 13.3424 k = 0.0920 0.1593 0.3071 ( 5508 PWs) bands (ev): -66.6328 -66.6328 -66.6328 -66.6328 -36.4365 -36.4365 -36.4365 -36.4365 -35.2907 -35.2907 -35.2907 -35.2907 -35.1531 -35.1531 -35.1531 -35.1531 -2.6156 -2.6156 -2.6154 -2.6154 6.7921 6.7921 6.7933 6.7933 8.3311 8.3311 8.3649 8.3649 8.5567 8.5567 8.5956 8.5956 10.9767 10.9767 11.0084 11.0084 11.1299 11.1299 11.1524 11.1524 11.6653 11.6653 11.6823 11.6823 12.7422 12.7422 12.7478 12.7478 13.3501 13.3501 k = 0.0862 0.1493 0.3071 ( 5504 PWs) bands (ev): -66.6325 -66.6325 -66.6325 -66.6325 -36.4364 -36.4364 -36.4364 -36.4364 -35.2907 -35.2907 -35.2907 -35.2907 -35.1529 -35.1529 -35.1529 -35.1529 -2.6376 -2.6376 -2.6374 -2.6374 6.8267 6.8267 6.8279 6.8279 8.3556 8.3556 8.3865 8.3865 8.5777 8.5777 8.6129 8.6129 10.9909 10.9909 11.0217 11.0217 11.1297 11.1297 11.1517 11.1517 11.6308 11.6308 11.6458 11.6458 12.7959 12.7959 12.7992 12.7992 13.3580 13.3580 k = 0.0805 0.1394 0.3071 ( 5504 PWs) bands (ev): -66.6326 -66.6326 -66.6326 -66.6326 -36.4363 -36.4363 -36.4363 -36.4363 -35.2906 -35.2906 -35.2906 -35.2906 -35.1527 -35.1527 -35.1527 -35.1527 -2.6584 -2.6584 -2.6583 -2.6583 6.8587 6.8587 6.8597 6.8597 8.3804 8.3804 8.4082 8.4082 8.5976 8.5976 8.6288 8.6288 11.0041 11.0041 11.0340 11.0340 11.1286 11.1286 11.1505 11.1505 11.5949 11.5949 11.6082 11.6082 12.8491 12.8491 12.8507 12.8507 13.3662 13.3662 k = 0.0747 0.1294 0.3071 ( 5496 PWs) bands (ev): -66.6319 -66.6319 -66.6319 -66.6319 -36.4363 -36.4363 -36.4363 -36.4363 -35.2906 -35.2906 -35.2906 -35.2906 -35.1526 -35.1526 -35.1526 -35.1526 -2.6780 -2.6780 -2.6779 -2.6779 6.8878 6.8878 6.8887 6.8887 8.4063 8.4063 8.4312 8.4312 8.6164 8.6164 8.6442 8.6442 11.0187 11.0187 11.0474 11.0474 11.1299 11.1299 11.1511 11.1511 11.5635 11.5635 11.5751 11.5751 12.9050 12.9050 12.9051 12.9051 13.3747 13.3747 k = 0.0690 0.1195 0.3071 ( 5500 PWs) bands (ev): -66.6323 -66.6323 -66.6323 -66.6323 -36.4362 -36.4362 -36.4362 -36.4362 -35.2905 -35.2905 -35.2905 -35.2905 -35.1524 -35.1524 -35.1524 -35.1524 -2.6963 -2.6963 -2.6962 -2.6962 6.9139 6.9139 6.9147 6.9147 8.4320 8.4320 8.4531 8.4531 8.6334 8.6334 8.6568 8.6568 11.0313 11.0313 11.0581 11.0581 11.1306 11.1306 11.1508 11.1508 11.5274 11.5274 11.5372 11.5372 12.9571 12.9571 12.9590 12.9590 13.3800 13.3800 k = 0.0632 0.1095 0.3071 ( 5492 PWs) bands (ev): -66.6317 -66.6317 -66.6317 -66.6317 -36.4361 -36.4361 -36.4361 -36.4361 -35.2905 -35.2905 -35.2905 -35.2905 -35.1523 -35.1523 -35.1523 -35.1523 -2.7133 -2.7133 -2.7132 -2.7132 6.9375 6.9375 6.9381 6.9381 8.4576 8.4576 8.4757 8.4757 8.6502 8.6502 8.6701 8.6701 11.0474 11.0474 11.0727 11.0727 11.1318 11.1318 11.1512 11.1512 11.4964 11.4964 11.5048 11.5048 13.0126 13.0126 13.0157 13.0157 13.3881 13.3881 k = 0.0575 0.0995 0.3071 ( 5484 PWs) bands (ev): -66.6310 -66.6310 -66.6310 -66.6310 -36.4361 -36.4361 -36.4361 -36.4361 -35.2904 -35.2904 -35.2904 -35.2904 -35.1521 -35.1521 -35.1521 -35.1521 -2.7290 -2.7290 -2.7289 -2.7289 6.9582 6.9582 6.9587 6.9587 8.4832 8.4832 8.4978 8.4978 8.6668 8.6668 8.6827 8.6827 11.0605 11.0605 11.0840 11.0840 11.1336 11.1336 11.1519 11.1519 11.4669 11.4669 11.4738 11.4738 13.0676 13.0676 13.0726 13.0726 13.3970 13.3970 k = 0.0517 0.0896 0.3071 ( 5476 PWs) bands (ev): -66.6304 -66.6304 -66.6304 -66.6304 -36.4360 -36.4360 -36.4360 -36.4360 -35.2904 -35.2904 -35.2904 -35.2904 -35.1520 -35.1520 -35.1519 -35.1519 -2.7433 -2.7433 -2.7432 -2.7432 6.9765 6.9765 6.9769 6.9769 8.5073 8.5073 8.5190 8.5190 8.6826 8.6826 8.6953 8.6953 11.0741 11.0741 11.0957 11.0957 11.1352 11.1352 11.1524 11.1524 11.4377 11.4377 11.4432 11.4432 13.1212 13.1212 13.1265 13.1265 13.4075 13.4075 k = 0.0460 0.0796 0.3071 ( 5480 PWs) bands (ev): -66.6308 -66.6308 -66.6308 -66.6308 -36.4360 -36.4360 -36.4360 -36.4360 -35.2903 -35.2903 -35.2903 -35.2903 -35.1519 -35.1519 -35.1519 -35.1519 -2.7561 -2.7561 -2.7561 -2.7561 6.9921 6.9921 6.9924 6.9924 8.5284 8.5284 8.5371 8.5371 8.6964 8.6964 8.7058 8.7058 11.0838 11.0838 11.1032 11.1032 11.1355 11.1355 11.1515 11.1515 11.4097 11.4097 11.4140 11.4140 13.1673 13.1673 13.1726 13.1726 13.4152 13.4152 k = 0.0402 0.0697 0.3071 ( 5472 PWs) bands (ev): -66.6302 -66.6302 -66.6302 -66.6302 -36.4359 -36.4359 -36.4359 -36.4359 -35.2903 -35.2903 -35.2903 -35.2903 -35.1517 -35.1517 -35.1517 -35.1517 -2.7676 -2.7676 -2.7675 -2.7675 7.0057 7.0057 7.0059 7.0059 8.5484 8.5484 8.5549 8.5549 8.7101 8.7101 8.7171 8.7171 11.0962 11.0962 11.1135 11.1135 11.1369 11.1369 11.1516 11.1516 11.3868 11.3868 11.3900 11.3900 13.2141 13.2141 13.2186 13.2186 13.4257 13.4257 k = 0.0345 0.0597 0.3071 ( 5468 PWs) bands (ev): -66.6299 -66.6299 -66.6299 -66.6299 -36.4359 -36.4359 -36.4359 -36.4359 -35.2903 -35.2903 -35.2903 -35.2903 -35.1516 -35.1516 -35.1516 -35.1516 -2.7775 -2.7775 -2.7775 -2.7775 7.0172 7.0172 7.0174 7.0174 8.5656 8.5656 8.5702 8.5702 8.7222 8.7222 8.7272 8.7272 11.1081 11.1081 11.1229 11.1229 11.1374 11.1374 11.1505 11.1505 11.3653 11.3653 11.3674 11.3674 13.2548 13.2548 13.2580 13.2580 13.4362 13.4362 k = 0.0287 0.0498 0.3071 ( 5472 PWs) bands (ev): -66.6303 -66.6303 -66.6303 -66.6303 -36.4359 -36.4359 -36.4359 -36.4359 -35.2903 -35.2903 -35.2903 -35.2903 -35.1516 -35.1516 -35.1516 -35.1516 -2.7860 -2.7860 -2.7860 -2.7860 7.0264 7.0264 7.0265 7.0265 8.5800 8.5800 8.5823 8.5823 8.7331 8.7331 8.7356 8.7356 11.1151 11.1151 11.1271 11.1271 11.1363 11.1363 11.1473 11.1473 11.3462 11.3462 11.3475 11.3475 13.2867 13.2867 13.2901 13.2901 13.4458 13.4458 k = 0.0230 0.0398 0.3071 ( 5472 PWs) bands (ev): -66.6303 -66.6303 -66.6303 -66.6303 -36.4358 -36.4358 -36.4358 -36.4358 -35.2902 -35.2902 -35.2902 -35.2902 -35.1515 -35.1515 -35.1515 -35.1515 -2.7929 -2.7929 -2.7929 -2.7929 7.0338 7.0338 7.0339 7.0339 8.5916 8.5916 8.5926 8.5926 8.7426 8.7426 8.7436 8.7436 11.1220 11.1220 11.1310 11.1310 11.1370 11.1370 11.1455 11.1455 11.3310 11.3310 11.3316 11.3316 13.3125 13.3125 13.3152 13.3152 13.4575 13.4575 k = 0.0172 0.0299 0.3071 ( 5472 PWs) bands (ev): -66.6303 -66.6303 -66.6303 -66.6303 -36.4358 -36.4358 -36.4358 -36.4358 -35.2902 -35.2902 -35.2902 -35.2902 -35.1515 -35.1515 -35.1515 -35.1515 -2.7984 -2.7984 -2.7984 -2.7984 7.0395 7.0395 7.0395 7.0395 8.6005 8.6005 8.6005 8.6005 8.7503 8.7503 8.7503 8.7503 11.1276 11.1276 11.1333 11.1333 11.1381 11.1381 11.1437 11.1437 11.3192 11.3192 11.3194 11.3194 13.3311 13.3311 13.3333 13.3333 13.4692 13.4692 k = 0.0115 0.0199 0.3071 ( 5474 PWs) bands (ev): -66.6305 -66.6305 -66.6305 -66.6305 -36.4358 -36.4358 -36.4358 -36.4358 -35.2902 -35.2902 -35.2902 -35.2902 -35.1514 -35.1514 -35.1514 -35.1514 -2.8022 -2.8022 -2.8022 -2.8022 7.0434 7.0434 7.0434 7.0434 8.6062 8.6062 8.6064 8.6064 8.7555 8.7555 8.7558 8.7558 11.1309 11.1309 11.1341 11.1341 11.1385 11.1385 11.1417 11.1417 11.3105 11.3105 11.3106 11.3106 13.3430 13.3430 13.3444 13.3444 13.4792 13.4792 k = 0.0057 0.0100 0.3071 ( 5474 PWs) bands (ev): -66.6305 -66.6305 -66.6305 -66.6305 -36.4358 -36.4358 -36.4358 -36.4358 -35.2902 -35.2902 -35.2902 -35.2902 -35.1514 -35.1514 -35.1514 -35.1514 -2.8046 -2.8046 -2.8046 -2.8046 7.0458 7.0458 7.0458 7.0458 8.6096 8.6096 8.6100 8.6100 8.7587 8.7587 8.7592 8.7592 11.1335 11.1335 11.1352 11.1352 11.1389 11.1389 11.1407 11.1407 11.3055 11.3055 11.3056 11.3056 13.3497 13.3497 13.3510 13.3510 13.4860 13.4860 k = 0.0000 0.0000 0.3071 ( 5468 PWs) bands (ev): -66.6300 -66.6300 -66.6300 -66.6300 -36.4358 -36.4358 -36.4358 -36.4358 -35.2902 -35.2902 -35.2902 -35.2902 -35.1514 -35.1514 -35.1514 -35.1514 -2.8053 -2.8053 -2.8053 -2.8053 7.0462 7.0462 7.0462 7.0462 8.6119 8.6119 8.6119 8.6119 8.7611 8.7611 8.7611 8.7611 11.1370 11.1370 11.1370 11.1370 11.1419 11.1419 11.1419 11.1419 11.3025 11.3025 11.3025 11.3025 13.3548 13.3548 13.3548 13.3548 13.4912 13.4912 k = 0.5000 0.2887 0.3071 ( 5524 PWs) bands (ev): -66.6332 -66.6332 -66.6332 -66.6332 -36.4387 -36.4387 -36.4387 -36.4387 -35.2923 -35.2923 -35.2923 -35.2923 -35.1584 -35.1584 -35.1584 -35.1584 -1.8483 -1.8483 -1.8483 -1.8483 5.2517 5.2517 5.2517 5.2517 7.9937 7.9937 7.9937 7.9937 8.2247 8.2247 8.2247 8.2247 10.6206 10.6206 10.6206 10.6206 11.7629 11.7629 11.7629 11.7629 11.8391 11.8391 11.8391 11.8391 12.7051 12.7051 12.7051 12.7051 13.3985 13.3985 k = 0.5000 0.2887 0.2957 ( 5524 PWs) bands (ev): -66.6341 -66.6341 -66.6324 -66.6324 -36.4394 -36.4394 -36.4380 -36.4380 -35.2934 -35.2934 -35.2911 -35.2911 -35.1587 -35.1587 -35.1581 -35.1581 -1.8525 -1.8525 -1.8443 -1.8443 5.2194 5.2194 5.2864 5.2864 7.9783 7.9783 8.0048 8.0048 8.2087 8.2087 8.2430 8.2430 10.5695 10.5695 10.6679 10.6679 11.7539 11.7539 11.7694 11.7694 11.8291 11.8291 11.8516 11.8516 12.6294 12.6294 12.7878 12.7878 13.3341 13.3341 k = 0.5000 0.2887 0.2844 ( 5526 PWs) bands (ev): -66.6339 -66.6339 -66.6329 -66.6329 -36.4402 -36.4402 -36.4373 -36.4373 -35.2947 -35.2947 -35.2898 -35.2898 -35.1589 -35.1589 -35.1579 -35.1579 -1.8568 -1.8568 -1.8403 -1.8403 5.1895 5.1895 5.3233 5.3233 7.9599 7.9599 8.0113 8.0113 8.1930 8.1930 8.2629 8.2629 10.5203 10.5203 10.7134 10.7134 11.7481 11.7481 11.7731 11.7731 11.8225 11.8225 11.8594 11.8594 12.5585 12.5585 12.8656 12.8656 13.2694 13.2694 k = 0.5000 0.2887 0.2730 ( 5524 PWs) bands (ev): -66.6334 -66.6334 -66.6331 -66.6331 -36.4409 -36.4409 -36.4365 -36.4365 -35.2959 -35.2959 -35.2886 -35.2886 -35.1592 -35.1592 -35.1577 -35.1577 -1.8610 -1.8610 -1.8365 -1.8365 5.1620 5.1620 5.3627 5.3627 7.9387 7.9387 8.0134 8.0134 8.1791 8.1791 8.2842 8.2842 10.4705 10.4705 10.7577 10.7577 11.7434 11.7434 11.7786 11.7786 11.8143 11.8143 11.8692 11.8692 12.4923 12.4923 12.9455 12.9455 13.2071 13.2071 k = 0.5000 0.2887 0.2616 ( 5532 PWs) bands (ev): -66.6350 -66.6350 -66.6329 -66.6329 -36.4416 -36.4416 -36.4358 -36.4358 -35.2971 -35.2971 -35.2874 -35.2874 -35.1594 -35.1594 -35.1574 -35.1574 -1.8654 -1.8654 -1.8327 -1.8327 5.1368 5.1368 5.4045 5.4045 7.9150 7.9150 8.0108 8.0108 8.1665 8.1665 8.3031 8.3031 10.4208 10.4208 10.7997 10.7997 11.7344 11.7344 11.7823 11.7823 11.8029 11.8029 11.8795 11.8795 12.4126 12.4126 13.0264 13.0264 13.1483 13.1483 k = 0.5000 0.2887 0.2502 ( 5528 PWs) bands (ev): -66.6352 -66.6352 -66.6320 -66.6320 -36.4424 -36.4424 -36.4351 -36.4351 -35.2982 -35.2982 -35.2863 -35.2863 -35.1597 -35.1597 -35.1572 -35.1572 -1.8697 -1.8697 -1.8291 -1.8291 5.1139 5.1139 5.4489 5.4489 7.8896 7.8896 8.0045 8.0045 8.1551 8.1551 8.3246 8.3246 10.3727 10.3727 10.8412 10.8412 11.7278 11.7278 11.7852 11.7852 11.7973 11.7973 11.8937 11.8937 12.3456 12.3456 13.0916 13.0916 13.1120 13.1120 k = 0.5000 0.2887 0.2389 ( 5540 PWs) bands (ev): -66.6353 -66.6353 -66.6340 -66.6340 -36.4431 -36.4431 -36.4344 -36.4344 -35.2994 -35.2994 -35.2851 -35.2851 -35.1599 -35.1599 -35.1570 -35.1570 -1.8741 -1.8741 -1.8257 -1.8257 5.0931 5.0931 5.4951 5.4951 7.8618 7.8618 7.9939 7.9939 8.1427 8.1427 8.3461 8.3461 10.3228 10.3228 10.8789 10.8789 11.7207 11.7207 11.7769 11.7769 11.7875 11.7875 11.8986 11.8986 12.2813 12.2813 13.0356 13.0356 13.1885 13.1885 k = 0.5000 0.2887 0.2275 ( 5532 PWs) bands (ev): -66.6341 -66.6341 -66.6338 -66.6338 -36.4438 -36.4438 -36.4338 -36.4338 -35.3005 -35.3005 -35.2839 -35.2839 -35.1601 -35.1601 -35.1568 -35.1568 -1.8784 -1.8784 -1.8224 -1.8224 5.0746 5.0746 5.5438 5.5438 7.8331 7.8331 7.9818 7.9818 8.1308 8.1308 8.3690 8.3690 10.2758 10.2758 10.9201 10.9201 11.7157 11.7157 11.7745 11.7745 11.7860 11.7860 11.9103 11.9103 12.2270 12.2270 12.9840 12.9840 13.2726 13.2726 k = 0.5000 0.2887 0.2161 ( 5526 PWs) bands (ev): -66.6343 -66.6343 -66.6325 -66.6325 -36.4445 -36.4445 -36.4331 -36.4331 -35.3016 -35.3016 -35.2827 -35.2827 -35.1603 -35.1603 -35.1565 -35.1565 -1.8827 -1.8827 -1.8192 -1.8192 5.0585 5.0585 5.5945 5.5945 7.8033 7.8033 7.9676 7.9676 8.1169 8.1169 8.3909 8.3909 10.2305 10.2305 10.9563 10.9563 11.7145 11.7145 11.7754 11.7754 11.7862 11.7862 11.9165 11.9165 12.1700 12.1700 12.9345 12.9345 13.3572 13.3572 k = 0.5000 0.2887 0.2047 ( 5518 PWs) bands (ev): -66.6338 -66.6338 -66.6316 -66.6316 -36.4451 -36.4451 -36.4324 -36.4324 -35.3026 -35.3026 -35.2816 -35.2816 -35.1605 -35.1605 -35.1563 -35.1563 -1.8869 -1.8869 -1.8163 -1.8163 5.0442 5.0442 5.6473 5.6473 7.7724 7.7724 7.9523 7.9523 8.1011 8.1011 8.4131 8.4131 10.1846 10.1846 10.9909 10.9909 11.7138 11.7138 11.7734 11.7734 11.7849 11.7849 11.9312 11.9312 12.1201 12.1201 12.8863 12.8863 13.4444 13.4444 k = 0.5000 0.2887 0.1934 ( 5510 PWs) bands (ev): -66.6322 -66.6322 -66.6318 -66.6318 -36.4458 -36.4458 -36.4318 -36.4318 -35.3036 -35.3036 -35.2806 -35.2806 -35.1607 -35.1607 -35.1561 -35.1561 -1.8910 -1.8910 -1.8135 -1.8135 5.0316 5.0316 5.7020 5.7020 7.7413 7.7413 7.9374 7.9374 8.0838 8.0838 8.4347 8.4347 10.1401 10.1401 11.0216 11.0216 11.7082 11.7082 11.7666 11.7666 11.7839 11.7839 11.9444 11.9444 12.0720 12.0720 12.8434 12.8434 13.5379 13.5379 k = 0.5000 0.2887 0.1820 ( 5510 PWs) bands (ev): -66.6328 -66.6328 -66.6312 -66.6312 -36.4464 -36.4464 -36.4312 -36.4312 -35.3046 -35.3046 -35.2795 -35.2795 -35.1609 -35.1609 -35.1559 -35.1559 -1.8951 -1.8951 -1.8108 -1.8108 5.0209 5.0209 5.7586 5.7586 7.7098 7.7098 7.9191 7.9191 8.0627 8.0627 8.4559 8.4559 10.0986 10.0986 11.0491 11.0491 11.7039 11.7039 11.7630 11.7630 11.7766 11.7766 11.9493 11.9493 12.0293 12.0293 12.8001 12.8001 13.6212 13.6212 k = 0.5000 0.2887 0.1706 ( 5502 PWs) bands (ev): -66.6319 -66.6319 -66.6306 -66.6306 -36.4470 -36.4470 -36.4306 -36.4306 -35.3055 -35.3055 -35.2785 -35.2785 -35.1611 -35.1611 -35.1557 -35.1557 -1.8990 -1.8990 -1.8084 -1.8084 5.0119 5.0119 5.8169 5.8169 7.6788 7.6788 7.8999 7.8999 8.0400 8.0400 8.4771 8.4771 10.0589 10.0589 11.0765 11.0765 11.6989 11.6989 11.7567 11.7567 11.7664 11.7664 11.9601 11.9601 11.9994 11.9994 12.7664 12.7664 13.7039 13.7039 k = 0.5000 0.2887 0.1592 ( 5506 PWs) bands (ev): -66.6325 -66.6325 -66.6308 -66.6308 -36.4476 -36.4476 -36.4301 -36.4301 -35.3064 -35.3064 -35.2776 -35.2776 -35.1613 -35.1613 -35.1555 -35.1555 -1.9027 -1.9027 -1.8061 -1.8061 5.0043 5.0043 5.8766 5.8766 7.6477 7.6477 7.8778 7.8778 8.0153 8.0153 8.4974 8.4974 10.0182 10.0182 11.0991 11.0991 11.6924 11.6924 11.7411 11.7411 11.7551 11.7551 11.9616 11.9616 11.9813 11.9813 12.7267 12.7267 13.7768 13.7768 k = 0.5000 0.2887 0.1479 ( 5506 PWs) bands (ev): -66.6324 -66.6324 -66.6309 -66.6309 -36.4481 -36.4481 -36.4296 -36.4296 -35.3073 -35.3073 -35.2767 -35.2767 -35.1615 -35.1615 -35.1553 -35.1553 -1.9063 -1.9063 -1.8040 -1.8040 4.9982 4.9982 5.9377 5.9377 7.6174 7.6174 7.8536 7.8536 7.9908 7.9908 8.5170 8.5170 9.9800 9.9800 11.1192 11.1192 11.6855 11.6855 11.7206 11.7206 11.7483 11.7483 11.9467 11.9467 11.9876 11.9876 12.6922 12.6922 13.8121 13.8121 k = 0.5000 0.2887 0.1365 ( 5502 PWs) bands (ev): -66.6317 -66.6317 -66.6308 -66.6308 -36.4486 -36.4486 -36.4292 -36.4292 -35.3080 -35.3080 -35.2759 -35.2759 -35.1616 -35.1616 -35.1551 -35.1551 -1.9097 -1.9097 -1.8020 -1.8020 4.9935 4.9935 5.9999 5.9999 7.5882 7.5882 7.8261 7.8261 7.9676 7.9676 8.5356 8.5356 9.9436 9.9436 11.1383 11.1383 11.6745 11.6745 11.6975 11.6975 11.7406 11.7406 11.9317 11.9317 12.0034 12.0034 12.6689 12.6689 13.8120 13.8120 k = 0.5000 0.2887 0.1251 ( 5502 PWs) bands (ev): -66.6318 -66.6318 -66.6307 -66.6307 -36.4490 -36.4490 -36.4287 -36.4287 -35.3087 -35.3087 -35.2751 -35.2751 -35.1618 -35.1618 -35.1550 -35.1550 -1.9130 -1.9130 -1.8003 -1.8003 4.9898 4.9898 6.0626 6.0626 7.5600 7.5600 7.7941 7.7941 7.9463 7.9463 8.5533 8.5533 9.9103 9.9103 11.1566 11.1566 11.6534 11.6534 11.6825 11.6825 11.7346 11.7346 11.9210 11.9210 12.0139 12.0139 12.6398 12.6398 13.8058 13.8058 k = 0.5000 0.2887 0.1137 ( 5494 PWs) bands (ev): -66.6309 -66.6309 -66.6302 -66.6302 -36.4495 -36.4495 -36.4283 -36.4283 -35.3094 -35.3094 -35.2743 -35.2743 -35.1619 -35.1619 -35.1548 -35.1548 -1.9160 -1.9160 -1.7987 -1.7987 4.9871 4.9871 6.1258 6.1258 7.5334 7.5334 7.7575 7.7575 7.9276 7.9276 8.5705 8.5705 9.8819 9.8819 11.1730 11.1730 11.6297 11.6297 11.6804 11.6804 11.7345 11.7345 11.9198 11.9198 12.0212 12.0212 12.6132 12.6132 13.7988 13.7988 k = 0.5000 0.2887 0.1024 ( 5498 PWs) bands (ev): -66.6317 -66.6317 -66.6301 -66.6301 -36.4499 -36.4499 -36.4279 -36.4279 -35.3100 -35.3100 -35.2737 -35.2737 -35.1621 -35.1621 -35.1547 -35.1547 -1.9187 -1.9187 -1.7973 -1.7973 4.9851 4.9851 6.1888 6.1888 7.5083 7.5083 7.7163 7.7163 7.9116 7.9116 8.5861 8.5861 9.8513 9.8513 11.1786 11.1786 11.6029 11.6029 11.6738 11.6738 11.7287 11.7287 11.9193 11.9193 12.0328 12.0328 12.5886 12.5886 13.7913 13.7913 k = 0.5000 0.2887 0.0910 ( 5494 PWs) bands (ev): -66.6318 -66.6318 -66.6293 -66.6293 -36.4502 -36.4502 -36.4276 -36.4276 -35.3105 -35.3105 -35.2731 -35.2731 -35.1622 -35.1622 -35.1545 -35.1545 -1.9212 -1.9212 -1.7960 -1.7960 4.9840 4.9840 6.2512 6.2512 7.4852 7.4852 7.6727 7.6727 7.8986 7.8986 8.6006 8.6006 9.8255 9.8255 11.1894 11.1894 11.5761 11.5761 11.6696 11.6696 11.7249 11.7249 11.9182 11.9182 12.0469 12.0469 12.5695 12.5695 13.7882 13.7882 k = 0.5000 0.2887 0.0796 ( 5494 PWs) bands (ev): -66.6318 -66.6318 -66.6292 -66.6292 -36.4506 -36.4506 -36.4273 -36.4273 -35.3110 -35.3110 -35.2726 -35.2726 -35.1623 -35.1623 -35.1544 -35.1544 -1.9235 -1.9235 -1.7949 -1.7949 4.9833 4.9833 6.3122 6.3122 7.4643 7.4643 7.6272 7.6272 7.8873 7.8873 8.6136 8.6136 9.8027 9.8027 11.2007 11.2007 11.5497 11.5497 11.6647 11.6647 11.7201 11.7201 11.9167 11.9167 12.0548 12.0548 12.5510 12.5510 13.7856 13.7856 k = 0.5000 0.2887 0.0682 ( 5494 PWs) bands (ev): -66.6309 -66.6309 -66.6302 -66.6302 -36.4509 -36.4509 -36.4270 -36.4270 -35.3115 -35.3115 -35.2721 -35.2721 -35.1623 -35.1623 -35.1544 -35.1544 -1.9255 -1.9255 -1.7940 -1.7940 4.9829 4.9829 6.3708 6.3708 7.4457 7.4457 7.5807 7.5807 7.8757 7.8757 8.6254 8.6254 9.7875 9.7875 11.2076 11.2076 11.5313 11.5313 11.6658 11.6658 11.7215 11.7215 11.9181 11.9181 12.0523 12.0523 12.5309 12.5309 13.7820 13.7820 k = 0.5000 0.2887 0.0569 ( 5490 PWs) bands (ev): -66.6302 -66.6302 -66.6301 -66.6301 -36.4511 -36.4511 -36.4268 -36.4268 -35.3119 -35.3119 -35.2717 -35.2717 -35.1624 -35.1624 -35.1543 -35.1543 -1.9272 -1.9272 -1.7932 -1.7932 4.9830 4.9830 6.4261 6.4261 7.4298 7.4298 7.5369 7.5369 7.8683 7.8683 8.6354 8.6354 9.7680 9.7680 11.2145 11.2145 11.5127 11.5127 11.6631 11.6631 11.7197 11.7197 11.9167 11.9167 12.0632 12.0632 12.5172 12.5172 13.7876 13.7876 k = 0.5000 0.2887 0.0455 ( 5490 PWs) bands (ev): -66.6307 -66.6307 -66.6297 -66.6297 -36.4513 -36.4513 -36.4266 -36.4266 -35.3122 -35.3122 -35.2714 -35.2714 -35.1625 -35.1625 -35.1542 -35.1542 -1.9286 -1.9286 -1.7926 -1.7926 4.9829 4.9829 6.4760 6.4760 7.4164 7.4164 7.4943 7.4943 7.8641 7.8641 8.6437 8.6437 9.7546 9.7546 11.2151 11.2151 11.4966 11.4966 11.6610 11.6610 11.7175 11.7175 11.9173 11.9173 12.0711 12.0711 12.5023 12.5023 13.7856 13.7856 k = 0.5000 0.2887 0.0341 ( 5498 PWs) bands (ev): -66.6311 -66.6311 -66.6307 -66.6307 -36.4515 -36.4515 -36.4265 -36.4265 -35.3125 -35.3125 -35.2711 -35.2711 -35.1625 -35.1625 -35.1542 -35.1542 -1.9297 -1.9297 -1.7921 -1.7921 4.9830 4.9830 6.5187 6.5187 7.4060 7.4060 7.4566 7.4566 7.8572 7.8572 8.6502 8.6502 9.7429 9.7429 11.2174 11.2174 11.4840 11.4840 11.6588 11.6588 11.7153 11.7153 11.9171 11.9171 12.0722 12.0722 12.4879 12.4879 13.7812 13.7812 k = 0.5000 0.2887 0.0227 ( 5502 PWs) bands (ev): -66.6315 -66.6315 -66.6311 -66.6311 -36.4516 -36.4516 -36.4264 -36.4264 -35.3126 -35.3126 -35.2710 -35.2710 -35.1626 -35.1626 -35.1541 -35.1541 -1.9304 -1.9304 -1.7918 -1.7918 4.9832 4.9832 6.5520 6.5520 7.3988 7.3988 7.4269 7.4269 7.8539 7.8539 8.6549 8.6549 9.7330 9.7330 11.2173 11.2173 11.4733 11.4733 11.6560 11.6560 11.7130 11.7130 11.9164 11.9164 12.0749 12.0749 12.4814 12.4814 13.7807 13.7807 k = 0.5000 0.2887 0.0114 ( 5502 PWs) bands (ev): -66.6315 -66.6315 -66.6311 -66.6311 -36.4517 -36.4517 -36.4263 -36.4263 -35.3127 -35.3127 -35.2709 -35.2709 -35.1626 -35.1626 -35.1541 -35.1541 -1.9309 -1.9309 -1.7916 -1.7916 4.9834 4.9834 6.5733 6.5733 7.3952 7.3952 7.4071 7.4071 7.8519 7.8519 8.6578 8.6578 9.7282 9.7282 11.2185 11.2185 11.4679 11.4679 11.6552 11.6552 11.7123 11.7123 11.9165 11.9165 12.0766 12.0766 12.4777 12.4777 13.7807 13.7807 k = 0.5000 0.2887-0.0000 ( 5506 PWs) bands (ev): -66.6318 -66.6318 -66.6315 -66.6315 -36.4517 -36.4517 -36.4263 -36.4263 -35.3128 -35.3128 -35.2708 -35.2708 -35.1626 -35.1626 -35.1541 -35.1541 -1.9311 -1.9311 -1.7915 -1.7915 4.9834 4.9834 6.5806 6.5806 7.3954 7.3954 7.3986 7.3986 7.8505 7.8505 8.6587 8.6587 9.7265 9.7265 11.2183 11.2183 11.4660 11.4660 11.6548 11.6548 11.7119 11.7119 11.9164 11.9164 12.0700 12.0700 12.4760 12.4760 13.7794 13.7794 k = 0.3333 0.5774-0.0000 ( 5484 PWs) bands (ev): -66.6339 -66.6339 -66.6252 -66.6252 -36.4519 -36.4519 -36.4268 -36.4268 -35.3127 -35.3127 -35.2710 -35.2710 -35.1637 -35.1637 -35.1548 -35.1548 -1.7294 -1.7294 -1.7244 -1.7244 5.4516 5.4516 6.3767 6.3767 6.5240 6.5240 7.5387 7.5387 7.5841 7.5841 7.7573 7.7573 10.8902 10.8902 11.4354 11.4354 11.4991 11.4991 11.5391 11.5391 11.5420 11.5420 11.8493 11.8493 12.6248 12.6248 12.6871 12.6871 12.9265 12.9265 k = 0.3333 0.5774 0.0114 ( 5490 PWs) bands (ev): -66.6339 -66.6339 -66.6262 -66.6262 -36.4519 -36.4519 -36.4268 -36.4268 -35.3127 -35.3127 -35.2711 -35.2711 -35.1637 -35.1637 -35.1548 -35.1548 -1.7294 -1.7294 -1.7244 -1.7244 5.4530 5.4530 6.3744 6.3744 6.5213 6.5213 7.5403 7.5403 7.5860 7.5860 7.7550 7.7550 10.8910 10.8910 11.4329 11.4329 11.4919 11.4919 11.5443 11.5443 11.5460 11.5460 11.8476 11.8476 12.6182 12.6182 12.6794 12.6794 12.9288 12.9288 k = 0.3333 0.5774 0.0227 ( 5499 PWs) bands (ev): -66.6355 -66.6355 -66.6263 -66.6263 -36.4518 -36.4518 -36.4269 -36.4269 -35.3126 -35.3126 -35.2713 -35.2713 -35.1637 -35.1637 -35.1549 -35.1549 -1.7293 -1.7293 -1.7243 -1.7243 5.4572 5.4572 6.3694 6.3694 6.5152 6.5152 7.5449 7.5449 7.5917 7.5917 7.7486 7.7486 10.8837 10.8837 11.4242 11.4242 11.4725 11.4725 11.5464 11.5464 11.5587 11.5587 11.8457 11.8457 12.6045 12.6045 12.6634 12.6634 12.9509 12.9509 k = 0.3333 0.5774 0.0341 ( 5487 PWs) bands (ev): -66.6344 -66.6344 -66.6252 -66.6252 -36.4517 -36.4517 -36.4270 -36.4270 -35.3125 -35.3125 -35.2714 -35.2714 -35.1636 -35.1636 -35.1549 -35.1549 -1.7291 -1.7291 -1.7242 -1.7242 5.4645 5.4645 6.3614 6.3614 6.5056 6.5056 7.5521 7.5521 7.6019 7.6019 7.7389 7.7389 10.8906 10.8906 11.4168 11.4168 11.4566 11.4566 11.5600 11.5600 11.5804 11.5804 11.8439 11.8439 12.5904 12.5904 12.6468 12.6468 12.9851 12.9851 k = 0.3333 0.5774 0.0455 ( 5478 PWs) bands (ev): -66.6322 -66.6322 -66.6258 -66.6258 -36.4515 -36.4515 -36.4271 -36.4271 -35.3122 -35.3122 -35.2716 -35.2716 -35.1635 -35.1635 -35.1549 -35.1549 -1.7290 -1.7290 -1.7240 -1.7240 5.4742 5.4742 6.3502 6.3502 6.4923 6.4923 7.5597 7.5597 7.6154 7.6154 7.7272 7.7272 10.9002 10.9002 11.4101 11.4101 11.4487 11.4487 11.5786 11.5786 11.6002 11.6002 11.8333 11.8333 12.5684 12.5684 12.6229 12.6229 13.0217 13.0217 k = 0.3333 0.5774 0.0569 ( 5478 PWs) bands (ev): -66.6322 -66.6322 -66.6259 -66.6259 -36.4513 -36.4513 -36.4272 -36.4272 -35.3120 -35.3120 -35.2719 -35.2719 -35.1635 -35.1635 -35.1550 -35.1550 -1.7287 -1.7287 -1.7238 -1.7238 5.4867 5.4867 6.3362 6.3362 6.4757 6.4757 7.5648 7.5648 7.6324 7.6324 7.7165 7.7165 10.9072 10.9072 11.3963 11.3963 11.4306 11.4306 11.5922 11.5922 11.6177 11.6177 11.8231 11.8231 12.5421 12.5421 12.5950 12.5950 13.0673 13.0673 k = 0.3333 0.5774 0.0682 ( 5478 PWs) bands (ev): -66.6322 -66.6322 -66.6259 -66.6259 -36.4511 -36.4511 -36.4275 -36.4275 -35.3116 -35.3116 -35.2723 -35.2723 -35.1634 -35.1634 -35.1550 -35.1550 -1.7285 -1.7285 -1.7235 -1.7235 5.5019 5.5019 6.3202 6.3202 6.4570 6.4570 7.5620 7.5620 7.6515 7.6515 7.7111 7.7111 10.9158 10.9158 11.3811 11.3811 11.4118 11.4118 11.6064 11.6064 11.6353 11.6353 11.8156 11.8156 12.5166 12.5166 12.5690 12.5690 13.1152 13.1152 k = 0.3333 0.5774 0.0796 ( 5478 PWs) bands (ev): -66.6321 -66.6321 -66.6260 -66.6260 -36.4508 -36.4508 -36.4277 -36.4277 -35.3112 -35.3112 -35.2728 -35.2728 -35.1633 -35.1633 -35.1551 -35.1551 -1.7281 -1.7281 -1.7232 -1.7232 5.5198 5.5198 6.3024 6.3024 6.4364 6.4364 7.5476 7.5476 7.6729 7.6729 7.7150 7.7150 10.9260 10.9260 11.3653 11.3653 11.3928 11.3928 11.6215 11.6215 11.6532 11.6532 11.8067 11.8067 12.4911 12.4911 12.5434 12.5434 13.1670 13.1670 k = 0.3333 0.5774 0.0910 ( 5487 PWs) bands (ev): -66.6325 -66.6325 -66.6271 -66.6271 -36.4505 -36.4505 -36.4280 -36.4280 -35.3107 -35.3107 -35.2733 -35.2733 -35.1632 -35.1632 -35.1553 -35.1553 -1.7278 -1.7278 -1.7228 -1.7228 5.5404 5.5404 6.2828 6.2828 6.4139 6.4139 7.5214 7.5214 7.6957 7.6957 7.7276 7.7276 10.9305 10.9305 11.3485 11.3485 11.3731 11.3731 11.6370 11.6370 11.6712 11.6712 11.7962 11.7962 12.4632 12.4632 12.5157 12.5157 13.2172 13.2172 k = 0.3333 0.5774 0.1024 ( 5481 PWs) bands (ev): -66.6324 -66.6324 -66.6261 -66.6261 -36.4501 -36.4501 -36.4284 -36.4284 -35.3101 -35.3101 -35.2739 -35.2739 -35.1631 -35.1631 -35.1554 -35.1554 -1.7274 -1.7274 -1.7224 -1.7224 5.5637 5.5637 6.2630 6.2630 6.3912 6.3912 7.4861 7.4861 7.7206 7.7206 7.7474 7.7474 10.9375 10.9375 11.3323 11.3323 11.3545 11.3545 11.6562 11.6562 11.6924 11.6924 11.7856 11.7856 12.4419 12.4419 12.4950 12.4950 13.2792 13.2792 k = 0.3333 0.5774 0.1137 ( 5481 PWs) bands (ev): -66.6323 -66.6323 -66.6261 -66.6261 -36.4497 -36.4497 -36.4287 -36.4287 -35.3095 -35.3095 -35.2746 -35.2746 -35.1629 -35.1629 -35.1555 -35.1555 -1.7270 -1.7270 -1.7220 -1.7220 5.5896 5.5896 6.2421 6.2421 6.3677 6.3677 7.4439 7.4439 7.7457 7.7457 7.7703 7.7703 10.9518 10.9518 11.3148 11.3148 11.3348 11.3348 11.6728 11.6728 11.7108 11.7108 11.7785 11.7785 12.4184 12.4184 12.4721 12.4721 13.3373 13.3373 k = 0.3333 0.5774 0.1251 ( 5493 PWs) bands (ev): -66.6343 -66.6343 -66.6263 -66.6263 -36.4493 -36.4493 -36.4292 -36.4292 -35.3088 -35.3088 -35.2754 -35.2754 -35.1628 -35.1628 -35.1557 -35.1557 -1.7265 -1.7265 -1.7216 -1.7216 5.6179 5.6179 6.2207 6.2207 6.3437 6.3437 7.3966 7.3966 7.7714 7.7714 7.7954 7.7954 10.9671 10.9671 11.2903 11.2903 11.3077 11.3077 11.6839 11.6839 11.7238 11.7238 11.7633 11.7633 12.3944 12.3944 12.4488 12.4488 13.3988 13.3988 k = 0.3333 0.5774 0.1365 ( 5493 PWs) bands (ev): -66.6342 -66.6342 -66.6264 -66.6264 -36.4488 -36.4488 -36.4296 -36.4296 -35.3081 -35.3081 -35.2761 -35.2761 -35.1627 -35.1627 -35.1558 -35.1558 -1.7261 -1.7261 -1.7211 -1.7211 5.6488 5.6488 6.1993 6.1993 6.3198 6.3198 7.3452 7.3452 7.7980 7.7980 7.8224 7.8224 10.9913 10.9913 11.2754 11.2754 11.2914 11.2914 11.6952 11.6952 11.7343 11.7343 11.7484 11.7484 12.3711 12.3711 12.4261 12.4261 13.4638 13.4638 k = 0.3333 0.5774 0.1479 ( 5505 PWs) bands (ev): -66.6341 -66.6341 -66.6287 -66.6287 -36.4483 -36.4483 -36.4301 -36.4301 -35.3074 -35.3074 -35.2770 -35.2770 -35.1625 -35.1625 -35.1561 -35.1561 -1.7256 -1.7256 -1.7207 -1.7207 5.6824 5.6824 6.1778 6.1778 6.2961 6.2961 7.2905 7.2905 7.8233 7.8233 7.8486 7.8486 11.0078 11.0078 11.2619 11.2619 11.2759 11.2759 11.7080 11.7080 11.7189 11.7189 11.7531 11.7531 12.3435 12.3435 12.3992 12.3992 13.5242 13.5242 k = 0.3333 0.5774 0.1592 ( 5508 PWs) bands (ev): -66.6345 -66.6345 -66.6288 -66.6288 -36.4478 -36.4478 -36.4306 -36.4306 -35.3065 -35.3065 -35.2779 -35.2779 -35.1623 -35.1623 -35.1562 -35.1562 -1.7252 -1.7252 -1.7202 -1.7202 5.7182 5.7182 6.1572 6.1572 6.2735 6.2735 7.2331 7.2331 7.8492 7.8492 7.8756 7.8756 11.0200 11.0200 11.2456 11.2456 11.2583 11.2583 11.6995 11.6995 11.7263 11.7263 11.7719 11.7719 12.3211 12.3211 12.3774 12.3774 13.5923 13.5923 k = 0.3333 0.5774 0.1706 ( 5508 PWs) bands (ev): -66.6344 -66.6344 -66.6290 -66.6290 -36.4472 -36.4472 -36.4311 -36.4311 -35.3056 -35.3056 -35.2788 -35.2788 -35.1621 -35.1621 -35.1564 -35.1564 -1.7247 -1.7247 -1.7197 -1.7197 5.7564 5.7564 6.1372 6.1372 6.2518 6.2518 7.1734 7.1734 7.8744 7.8744 7.9020 7.9020 11.0401 11.0401 11.2299 11.2299 11.2420 11.2420 11.6784 11.6784 11.7450 11.7450 11.7914 11.7914 12.2990 12.2990 12.3561 12.3561 13.6614 13.6614 k = 0.3333 0.5774 0.1820 ( 5499 PWs) bands (ev): -66.6322 -66.6322 -66.6297 -66.6297 -36.4467 -36.4467 -36.4316 -36.4316 -35.3047 -35.3047 -35.2797 -35.2797 -35.1619 -35.1619 -35.1566 -35.1566 -1.7242 -1.7242 -1.7193 -1.7193 5.7973 5.7973 6.1182 6.1182 6.2313 6.2313 7.1120 7.1120 7.8989 7.8989 7.9278 7.9278 11.0642 11.0642 11.2195 11.2195 11.2310 11.2310 11.6521 11.6521 11.7722 11.7722 11.8195 11.8195 12.2761 12.2761 12.3340 12.3340 13.7309 13.7309 k = 0.3333 0.5774 0.1934 ( 5499 PWs) bands (ev): -66.6321 -66.6321 -66.6298 -66.6298 -36.4460 -36.4460 -36.4322 -36.4322 -35.3038 -35.3038 -35.2808 -35.2808 -35.1617 -35.1617 -35.1568 -35.1568 -1.7238 -1.7238 -1.7188 -1.7188 5.8399 5.8399 6.1003 6.1003 6.2122 6.2122 7.0492 7.0492 7.9218 7.9218 7.9520 7.9520 11.0855 11.0855 11.2052 11.2052 11.2173 11.2173 11.6282 11.6282 11.7914 11.7914 11.8392 11.8392 12.2548 12.2548 12.3133 12.3133 13.8004 13.8004 k = 0.3333 0.5774 0.2047 ( 5490 PWs) bands (ev): -66.6309 -66.6309 -66.6295 -66.6295 -36.4454 -36.4454 -36.4328 -36.4328 -35.3027 -35.3027 -35.2818 -35.2818 -35.1614 -35.1614 -35.1571 -35.1571 -1.7233 -1.7233 -1.7184 -1.7184 5.8843 5.8843 6.0839 6.0839 6.1949 6.1949 6.9853 6.9853 7.9444 7.9444 7.9759 7.9759 11.1075 11.1075 11.1977 11.1977 11.2115 11.2115 11.6036 11.6036 11.8113 11.8113 11.8594 11.8594 12.2327 12.2327 12.2920 12.2920 13.8740 13.8740 k = 0.3333 0.5774 0.2161 ( 5496 PWs) bands (ev): -66.6307 -66.6307 -66.6307 -66.6307 -36.4448 -36.4448 -36.4334 -36.4334 -35.3017 -35.3017 -35.2829 -35.2829 -35.1612 -35.1612 -35.1573 -35.1573 -1.7230 -1.7230 -1.7180 -1.7180 5.9304 5.9304 6.0684 6.0684 6.1792 6.1792 6.9207 6.9207 7.9638 7.9638 7.9964 7.9964 11.1268 11.1268 11.1846 11.1846 11.2033 11.2033 11.5776 11.5776 11.8304 11.8304 11.8788 11.8788 12.2067 12.2067 12.2668 12.2668 13.9384 13.9384 k = 0.3333 0.5774 0.2275 ( 5508 PWs) bands (ev): -66.6320 -66.6320 -66.6317 -66.6317 -36.4441 -36.4441 -36.4341 -36.4341 -35.3007 -35.3007 -35.2840 -35.2840 -35.1610 -35.1610 -35.1576 -35.1576 -1.7226 -1.7226 -1.7177 -1.7177 5.9775 5.9775 6.0545 6.0545 6.1660 6.1660 6.8558 6.8558 7.9813 7.9813 8.0149 8.0149 11.1315 11.1315 11.1722 11.1722 11.1970 11.1970 11.5472 11.5472 11.8491 11.8491 11.8976 11.8976 12.1831 12.1831 12.2441 12.2441 13.9995 13.9995 k = 0.3333 0.5774 0.2389 ( 5511 PWs) bands (ev): -66.6322 -66.6322 -66.6320 -66.6320 -36.4434 -36.4434 -36.4348 -36.4348 -35.2996 -35.2996 -35.2852 -35.2852 -35.1607 -35.1607 -35.1578 -35.1578 -1.7223 -1.7223 -1.7174 -1.7174 6.0246 6.0246 6.0424 6.0424 6.1568 6.1568 6.7909 6.7909 7.9967 7.9967 8.0312 8.0312 11.1373 11.1373 11.1601 11.1601 11.2039 11.2039 11.5197 11.5197 11.8679 11.8679 11.9164 11.9164 12.1634 12.1634 12.2252 12.2252 14.0582 14.0582 k = 0.3333 0.5774 0.2502 ( 5511 PWs) bands (ev): -66.6324 -66.6324 -66.6319 -66.6319 -36.4427 -36.4427 -36.4354 -36.4354 -35.2984 -35.2984 -35.2864 -35.2864 -35.1605 -35.1605 -35.1580 -35.1580 -1.7220 -1.7220 -1.7171 -1.7171 6.0321 6.0321 6.0675 6.0675 6.1549 6.1549 6.7266 6.7266 8.0104 8.0104 8.0456 8.0456 11.1367 11.1367 11.1514 11.1514 11.2225 11.2225 11.4917 11.4917 11.8863 11.8863 11.9344 11.9344 12.1445 12.1445 12.2073 12.2073 14.1125 14.1125 k = 0.3333 0.5774 0.2616 ( 5505 PWs) bands (ev): -66.6317 -66.6317 -66.6316 -66.6316 -36.4420 -36.4420 -36.4361 -36.4361 -35.2972 -35.2972 -35.2875 -35.2875 -35.1603 -35.1603 -35.1583 -35.1583 -1.7218 -1.7218 -1.7168 -1.7168 6.0236 6.0236 6.0948 6.0948 6.1717 6.1717 6.6632 6.6632 8.0218 8.0218 8.0577 8.0577 11.1334 11.1334 11.1445 11.1445 11.2463 11.2463 11.4770 11.4770 11.9037 11.9037 11.9513 11.9513 12.1271 12.1271 12.1910 12.1910 14.1606 14.1606 k = 0.3333 0.5774 0.2730 ( 5499 PWs) bands (ev): -66.6315 -66.6315 -66.6307 -66.6307 -36.4412 -36.4412 -36.4368 -36.4368 -35.2960 -35.2960 -35.2887 -35.2887 -35.1600 -35.1600 -35.1585 -35.1585 -1.7216 -1.7216 -1.7167 -1.7167 6.0170 6.0170 6.1020 6.1020 6.2109 6.2109 6.6017 6.6017 8.0318 8.0318 8.0682 8.0682 11.1321 11.1321 11.1416 11.1416 11.2726 11.2726 11.4480 11.4480 11.9197 11.9197 11.9664 11.9664 12.1118 12.1118 12.1769 12.1769 14.2036 14.2036 k = 0.3333 0.5774 0.2844 ( 5487 PWs) bands (ev): -66.6302 -66.6302 -66.6299 -66.6299 -36.4405 -36.4405 -36.4375 -36.4375 -35.2948 -35.2948 -35.2899 -35.2899 -35.1598 -35.1598 -35.1587 -35.1587 -1.7214 -1.7214 -1.7165 -1.7165 6.0123 6.0123 6.1019 6.1019 6.2580 6.2580 6.5439 6.5439 8.0390 8.0390 8.0759 8.0759 11.1320 11.1320 11.1401 11.1401 11.3089 11.3089 11.4245 11.4245 11.9346 11.9346 11.9801 11.9801 12.0996 12.0996 12.1660 12.1660 14.2361 14.2361 k = 0.3333 0.5774 0.2957 ( 5481 PWs) bands (ev): -66.6300 -66.6300 -66.6290 -66.6290 -36.4397 -36.4397 -36.4383 -36.4383 -35.2935 -35.2935 -35.2911 -35.2911 -35.1595 -35.1595 -35.1590 -35.1590 -1.7213 -1.7213 -1.7164 -1.7164 6.0094 6.0094 6.1008 6.1008 6.3014 6.3014 6.4951 6.4951 8.0438 8.0438 8.0810 8.0810 11.1328 11.1328 11.1406 11.1406 11.3369 11.3369 11.3970 11.3970 11.9439 11.9439 11.9885 11.9885 12.0906 12.0906 12.1581 12.1581 14.2575 14.2575 k = 0.3333 0.5774 0.3071 ( 5478 PWs) bands (ev): -66.6293 -66.6293 -66.6293 -66.6293 -36.4390 -36.4390 -36.4389 -36.4389 -35.2923 -35.2923 -35.2923 -35.2923 -35.1593 -35.1593 -35.1591 -35.1591 -1.7213 -1.7213 -1.7164 -1.7164 6.0085 6.0085 6.1003 6.1003 6.3223 6.3223 6.4725 6.4725 8.0456 8.0456 8.0828 8.0828 11.1340 11.1340 11.1416 11.1416 11.3598 11.3598 11.3741 11.3741 11.9473 11.9473 11.9914 11.9914 12.0873 12.0873 12.1552 12.1552 14.2652 14.2652 Writing output data file MnSe.save init_run : 0.10s CPU 0.21s WALL ( 1 calls) electrons : 132.43s CPU 134.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 132.42s CPU 134.76s 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 : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.06s WALL ( 364 calls) cegterg : 121.22s CPU 122.89s WALL ( 397 calls) Called by sum_band: Called by *egterg: h_psi : 69.20s CPU 70.41s WALL ( 6872 calls) s_psi : 1.94s CPU 1.83s WALL ( 6872 calls) g_psi : 0.32s CPU 0.28s WALL ( 6111 calls) cdiaghg : 41.29s CPU 42.04s WALL ( 6475 calls) cegterg:over : 6.16s CPU 6.24s WALL ( 6111 calls) cegterg:upda : 5.46s CPU 5.43s WALL ( 6111 calls) cegterg:last : 3.21s CPU 3.21s WALL ( 1138 calls) cdiaghg:chol : 2.27s CPU 2.38s WALL ( 6475 calls) cdiaghg:inve : 1.54s CPU 1.56s WALL ( 6475 calls) cdiaghg:para : 2.33s CPU 2.44s WALL ( 12950 calls) Called by h_psi: h_psi:vloc : 61.40s CPU 62.56s WALL ( 6872 calls) h_psi:vnl : 7.53s CPU 7.55s WALL ( 6872 calls) add_vuspsi : 3.66s CPU 3.65s WALL ( 6872 calls) General routines calbec : 3.84s CPU 3.89s WALL ( 6872 calls) fft : 0.01s CPU 0.00s WALL ( 15 calls) fftw : 58.13s CPU 59.29s WALL ( 720488 calls) davcio : 0.23s CPU 0.32s WALL ( 728 calls) Parallel routines fft_scatter : 21.33s CPU 22.20s WALL ( 720503 calls) PWSCF : 2m31.50s CPU 2m48.47s WALL This run was terminated on: 20:52:24 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=