Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 5:12 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: ./PtPb.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 23 7 2435 689 111 Max 54 24 8 2442 712 115 Sum 1921 847 253 87729 25203 4081 bravais-lattice index = 14 lattice parameter (alat) = 8.0313 a.u. unit-cell volume = 575.9428 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.031335 celldm(2)= 1.000000 celldm(3)= 1.283765 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 1.283765 ) 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 0.778959 ) PseudoPot. # 1 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pb 14.00 207.20000 Pb( 1.00) Pt 10.00 195.08400 Pt( 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 ) ( 0.6418824 ) 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 ) ( 0.6418824 ) 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 ) ( 0.6418824 ) 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 ) ( 0.6418824 ) 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 ) ( 0.6418824 ) 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 ) ( 0.6418824 ) 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 ) ( 0.6418824 ) 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 ) ( 0.6418824 ) 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 ) ( 0.6418824 ) 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 ) ( 0.6418824 ) 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 ) ( 0.6418824 ) 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 ) ( 0.6418824 ) 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= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0030120 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0030120 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0030120 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0030120 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0030120 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0030120 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0030120 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0030120 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0030120 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0030120 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0030120 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0030120 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0030120 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0030120 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0030120 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0030120 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0030120 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0030120 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0030120 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0030120 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0030120 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0030120 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0030120 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0030120 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0030120 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0030120 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0030120 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0030120 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0030120 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0030120 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0030120 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0030120 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0030120 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0030120 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0030120 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0030120 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0030120 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0030120 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0030120 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0030120 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0030120 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0030120 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030120 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030120 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0030120 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0030120 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0030120 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0030120 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0030120 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0030120 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0030120 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0030120 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0030120 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0030120 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0030120 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0030120 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0030120 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0030120 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0030120 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0030120 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0030120 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0030120 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0030120 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0030120 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0030120 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0030120 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0030120 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0030120 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030120 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030120 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0030120 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0030120 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0030120 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0030120 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0030120 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0030120 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0030120 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0030120 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0030120 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0030120 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0030120 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0030120 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0030120 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0030120 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0030120 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0030120 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0030120 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0030120 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0030120 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0030120 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0030120 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0030120 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0030120 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0030120 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0030120 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0030120 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0030120 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0030120 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0030120 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0030120 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0030120 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0030120 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0030120 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0030120 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0030120 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0030120 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0030120 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0030120 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0030120 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0030120 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0030120 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0030120 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0030120 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0030120 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0030120 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0030120 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0030120 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0030120 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0030120 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 123) = ( 0.0000000 0.0000000 0.0134303), wk = 0.0030120 k( 124) = ( 0.0000000 0.0000000 0.0268607), wk = 0.0030120 k( 125) = ( 0.0000000 0.0000000 0.0402910), wk = 0.0030120 k( 126) = ( 0.0000000 0.0000000 0.0537213), wk = 0.0030120 k( 127) = ( 0.0000000 0.0000000 0.0671516), wk = 0.0030120 k( 128) = ( 0.0000000 0.0000000 0.0805820), wk = 0.0030120 k( 129) = ( 0.0000000 0.0000000 0.0940123), wk = 0.0030120 k( 130) = ( 0.0000000 0.0000000 0.1074426), wk = 0.0030120 k( 131) = ( 0.0000000 0.0000000 0.1208729), wk = 0.0030120 k( 132) = ( 0.0000000 0.0000000 0.1343033), wk = 0.0030120 k( 133) = ( 0.0000000 0.0000000 0.1477336), wk = 0.0030120 k( 134) = ( 0.0000000 0.0000000 0.1611639), wk = 0.0030120 k( 135) = ( 0.0000000 0.0000000 0.1745942), wk = 0.0030120 k( 136) = ( 0.0000000 0.0000000 0.1880246), wk = 0.0030120 k( 137) = ( 0.0000000 0.0000000 0.2014549), wk = 0.0030120 k( 138) = ( 0.0000000 0.0000000 0.2148852), wk = 0.0030120 k( 139) = ( 0.0000000 0.0000000 0.2283156), wk = 0.0030120 k( 140) = ( 0.0000000 0.0000000 0.2417459), wk = 0.0030120 k( 141) = ( 0.0000000 0.0000000 0.2551762), wk = 0.0030120 k( 142) = ( 0.0000000 0.0000000 0.2686065), wk = 0.0030120 k( 143) = ( 0.0000000 0.0000000 0.2820369), wk = 0.0030120 k( 144) = ( 0.0000000 0.0000000 0.2954672), wk = 0.0030120 k( 145) = ( 0.0000000 0.0000000 0.3088975), wk = 0.0030120 k( 146) = ( 0.0000000 0.0000000 0.3223278), wk = 0.0030120 k( 147) = ( 0.0000000 0.0000000 0.3357582), wk = 0.0030120 k( 148) = ( 0.0000000 0.0000000 0.3491885), wk = 0.0030120 k( 149) = ( 0.0000000 0.0000000 0.3626188), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.3760491), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.3894795), wk = 0.0030120 k( 152) = ( 0.0000000 0.0000000 0.3894795), wk = 0.0030120 k( 153) = ( 0.0116279 0.0067134 0.3894795), wk = 0.0030120 k( 154) = ( 0.0232558 0.0134267 0.3894795), wk = 0.0030120 k( 155) = ( 0.0348837 0.0201401 0.3894795), wk = 0.0030120 k( 156) = ( 0.0465116 0.0268535 0.3894795), wk = 0.0030120 k( 157) = ( 0.0581395 0.0335669 0.3894795), wk = 0.0030120 k( 158) = ( 0.0697674 0.0402803 0.3894795), wk = 0.0030120 k( 159) = ( 0.0813954 0.0469936 0.3894795), wk = 0.0030120 k( 160) = ( 0.0930233 0.0537070 0.3894795), wk = 0.0030120 k( 161) = ( 0.1046512 0.0604204 0.3894795), wk = 0.0030120 k( 162) = ( 0.1162791 0.0671338 0.3894795), wk = 0.0030120 k( 163) = ( 0.1279070 0.0738471 0.3894795), wk = 0.0030120 k( 164) = ( 0.1395349 0.0805605 0.3894795), wk = 0.0030120 k( 165) = ( 0.1511628 0.0872739 0.3894795), wk = 0.0030120 k( 166) = ( 0.1627907 0.0939873 0.3894795), wk = 0.0030120 k( 167) = ( 0.1744186 0.1007006 0.3894795), wk = 0.0030120 k( 168) = ( 0.1860465 0.1074140 0.3894795), wk = 0.0030120 k( 169) = ( 0.1976744 0.1141274 0.3894795), wk = 0.0030120 k( 170) = ( 0.2093023 0.1208408 0.3894795), wk = 0.0030120 k( 171) = ( 0.2209302 0.1275541 0.3894795), wk = 0.0030120 k( 172) = ( 0.2325581 0.1342675 0.3894795), wk = 0.0030120 k( 173) = ( 0.2441860 0.1409809 0.3894795), wk = 0.0030120 k( 174) = ( 0.2558140 0.1476943 0.3894795), wk = 0.0030120 k( 175) = ( 0.2674419 0.1544076 0.3894795), wk = 0.0030120 k( 176) = ( 0.2790698 0.1611210 0.3894795), wk = 0.0030120 k( 177) = ( 0.2906977 0.1678344 0.3894795), wk = 0.0030120 k( 178) = ( 0.3023256 0.1745478 0.3894795), wk = 0.0030120 k( 179) = ( 0.3139535 0.1812611 0.3894795), wk = 0.0030120 k( 180) = ( 0.3255814 0.1879745 0.3894795), wk = 0.0030120 k( 181) = ( 0.3372093 0.1946879 0.3894795), wk = 0.0030120 k( 182) = ( 0.3488372 0.2014013 0.3894795), wk = 0.0030120 k( 183) = ( 0.3604651 0.2081146 0.3894795), wk = 0.0030120 k( 184) = ( 0.3720930 0.2148280 0.3894795), wk = 0.0030120 k( 185) = ( 0.3837209 0.2215414 0.3894795), wk = 0.0030120 k( 186) = ( 0.3953488 0.2282548 0.3894795), wk = 0.0030120 k( 187) = ( 0.4069767 0.2349681 0.3894795), wk = 0.0030120 k( 188) = ( 0.4186047 0.2416815 0.3894795), wk = 0.0030120 k( 189) = ( 0.4302326 0.2483949 0.3894795), wk = 0.0030120 k( 190) = ( 0.4418605 0.2551083 0.3894795), wk = 0.0030120 k( 191) = ( 0.4534884 0.2618216 0.3894795), wk = 0.0030120 k( 192) = ( 0.4651163 0.2685350 0.3894795), wk = 0.0030120 k( 193) = ( 0.4767442 0.2752484 0.3894795), wk = 0.0030120 k( 194) = ( 0.4883721 0.2819618 0.3894795), wk = 0.0030120 k( 195) = ( 0.5000000 0.2886751 0.3894795), wk = 0.0030120 k( 196) = ( 0.5000000 0.2886751 0.3894795), wk = 0.0030120 k( 197) = ( 0.4933333 0.3002221 0.3894795), wk = 0.0030120 k( 198) = ( 0.4866667 0.3117692 0.3894795), wk = 0.0030120 k( 199) = ( 0.4800000 0.3233162 0.3894795), wk = 0.0030120 k( 200) = ( 0.4733333 0.3348632 0.3894795), wk = 0.0030120 k( 201) = ( 0.4666667 0.3464102 0.3894795), wk = 0.0030120 k( 202) = ( 0.4600000 0.3579572 0.3894795), wk = 0.0030120 k( 203) = ( 0.4533333 0.3695042 0.3894795), wk = 0.0030120 k( 204) = ( 0.4466667 0.3810512 0.3894795), wk = 0.0030120 k( 205) = ( 0.4400000 0.3925982 0.3894795), wk = 0.0030120 k( 206) = ( 0.4333333 0.4041452 0.3894795), wk = 0.0030120 k( 207) = ( 0.4266667 0.4156922 0.3894795), wk = 0.0030120 k( 208) = ( 0.4200000 0.4272392 0.3894795), wk = 0.0030120 k( 209) = ( 0.4133333 0.4387862 0.3894795), wk = 0.0030120 k( 210) = ( 0.4066667 0.4503332 0.3894795), wk = 0.0030120 k( 211) = ( 0.4000000 0.4618802 0.3894795), wk = 0.0030120 k( 212) = ( 0.3933333 0.4734272 0.3894795), wk = 0.0030120 k( 213) = ( 0.3866667 0.4849742 0.3894795), wk = 0.0030120 k( 214) = ( 0.3800000 0.4965212 0.3894795), wk = 0.0030120 k( 215) = ( 0.3733333 0.5080682 0.3894795), wk = 0.0030120 k( 216) = ( 0.3666667 0.5196152 0.3894795), wk = 0.0030120 k( 217) = ( 0.3600000 0.5311622 0.3894795), wk = 0.0030120 k( 218) = ( 0.3533333 0.5427092 0.3894795), wk = 0.0030120 k( 219) = ( 0.3466667 0.5542563 0.3894795), wk = 0.0030120 k( 220) = ( 0.3400000 0.5658033 0.3894795), wk = 0.0030120 k( 221) = ( 0.3333333 0.5773503 0.3894795), wk = 0.0030120 k( 222) = ( 0.3333333 0.5773503 0.3894795), wk = 0.0030120 k( 223) = ( 0.3266667 0.5658033 0.3894795), wk = 0.0030120 k( 224) = ( 0.3200000 0.5542563 0.3894795), wk = 0.0030120 k( 225) = ( 0.3133333 0.5427092 0.3894795), wk = 0.0030120 k( 226) = ( 0.3066667 0.5311623 0.3894795), wk = 0.0030120 k( 227) = ( 0.3000000 0.5196152 0.3894795), wk = 0.0030120 k( 228) = ( 0.2933333 0.5080682 0.3894795), wk = 0.0030120 k( 229) = ( 0.2866667 0.4965212 0.3894795), wk = 0.0030120 k( 230) = ( 0.2800000 0.4849742 0.3894795), wk = 0.0030120 k( 231) = ( 0.2733333 0.4734272 0.3894795), wk = 0.0030120 k( 232) = ( 0.2666667 0.4618802 0.3894795), wk = 0.0030120 k( 233) = ( 0.2600000 0.4503332 0.3894795), wk = 0.0030120 k( 234) = ( 0.2533333 0.4387862 0.3894795), wk = 0.0030120 k( 235) = ( 0.2466667 0.4272392 0.3894795), wk = 0.0030120 k( 236) = ( 0.2400000 0.4156922 0.3894795), wk = 0.0030120 k( 237) = ( 0.2333333 0.4041452 0.3894795), wk = 0.0030120 k( 238) = ( 0.2266667 0.3925982 0.3894795), wk = 0.0030120 k( 239) = ( 0.2200000 0.3810512 0.3894795), wk = 0.0030120 k( 240) = ( 0.2133333 0.3695042 0.3894795), wk = 0.0030120 k( 241) = ( 0.2066667 0.3579572 0.3894795), wk = 0.0030120 k( 242) = ( 0.2000000 0.3464102 0.3894795), wk = 0.0030120 k( 243) = ( 0.1933333 0.3348632 0.3894795), wk = 0.0030120 k( 244) = ( 0.1866667 0.3233162 0.3894795), wk = 0.0030120 k( 245) = ( 0.1800000 0.3117691 0.3894795), wk = 0.0030120 k( 246) = ( 0.1733333 0.3002221 0.3894795), wk = 0.0030120 k( 247) = ( 0.1666667 0.2886751 0.3894795), wk = 0.0030120 k( 248) = ( 0.1600000 0.2771281 0.3894795), wk = 0.0030120 k( 249) = ( 0.1533333 0.2655811 0.3894795), wk = 0.0030120 k( 250) = ( 0.1466667 0.2540341 0.3894795), wk = 0.0030120 k( 251) = ( 0.1400000 0.2424871 0.3894795), wk = 0.0030120 k( 252) = ( 0.1333333 0.2309401 0.3894795), wk = 0.0030120 k( 253) = ( 0.1266667 0.2193931 0.3894795), wk = 0.0030120 k( 254) = ( 0.1200000 0.2078461 0.3894795), wk = 0.0030120 k( 255) = ( 0.1133333 0.1962991 0.3894795), wk = 0.0030120 k( 256) = ( 0.1066667 0.1847521 0.3894795), wk = 0.0030120 k( 257) = ( 0.1000000 0.1732051 0.3894795), wk = 0.0030120 k( 258) = ( 0.0933333 0.1616581 0.3894795), wk = 0.0030120 k( 259) = ( 0.0866667 0.1501111 0.3894795), wk = 0.0030120 k( 260) = ( 0.0800000 0.1385641 0.3894795), wk = 0.0030120 k( 261) = ( 0.0733333 0.1270171 0.3894795), wk = 0.0030120 k( 262) = ( 0.0666667 0.1154701 0.3894795), wk = 0.0030120 k( 263) = ( 0.0600000 0.1039230 0.3894795), wk = 0.0030120 k( 264) = ( 0.0533333 0.0923760 0.3894795), wk = 0.0030120 k( 265) = ( 0.0466667 0.0808290 0.3894795), wk = 0.0030120 k( 266) = ( 0.0400000 0.0692820 0.3894795), wk = 0.0030120 k( 267) = ( 0.0333333 0.0577350 0.3894795), wk = 0.0030120 k( 268) = ( 0.0266667 0.0461880 0.3894795), wk = 0.0030120 k( 269) = ( 0.0200000 0.0346410 0.3894795), wk = 0.0030120 k( 270) = ( 0.0133333 0.0230940 0.3894795), wk = 0.0030120 k( 271) = ( 0.0066667 0.0115470 0.3894795), wk = 0.0030120 k( 272) = ( 0.0000000 0.0000000 0.3894795), wk = 0.0030120 k( 273) = ( 0.5000000 0.2886751 0.3894795), wk = 0.0030120 k( 274) = ( 0.5000000 0.2886751 0.3760491), wk = 0.0030120 k( 275) = ( 0.5000000 0.2886751 0.3626188), wk = 0.0030120 k( 276) = ( 0.5000000 0.2886751 0.3491885), wk = 0.0030120 k( 277) = ( 0.5000000 0.2886751 0.3357582), wk = 0.0030120 k( 278) = ( 0.5000000 0.2886751 0.3223278), wk = 0.0030120 k( 279) = ( 0.5000000 0.2886751 0.3088975), wk = 0.0030120 k( 280) = ( 0.5000000 0.2886751 0.2954672), wk = 0.0030120 k( 281) = ( 0.5000000 0.2886751 0.2820369), wk = 0.0030120 k( 282) = ( 0.5000000 0.2886751 0.2686065), wk = 0.0030120 k( 283) = ( 0.5000000 0.2886751 0.2551762), wk = 0.0030120 k( 284) = ( 0.5000000 0.2886751 0.2417459), wk = 0.0030120 k( 285) = ( 0.5000000 0.2886751 0.2283156), wk = 0.0030120 k( 286) = ( 0.5000000 0.2886751 0.2148852), wk = 0.0030120 k( 287) = ( 0.5000000 0.2886751 0.2014549), wk = 0.0030120 k( 288) = ( 0.5000000 0.2886751 0.1880246), wk = 0.0030120 k( 289) = ( 0.5000000 0.2886751 0.1745942), wk = 0.0030120 k( 290) = ( 0.5000000 0.2886751 0.1611639), wk = 0.0030120 k( 291) = ( 0.5000000 0.2886751 0.1477336), wk = 0.0030120 k( 292) = ( 0.5000000 0.2886751 0.1343033), wk = 0.0030120 k( 293) = ( 0.5000000 0.2886751 0.1208729), wk = 0.0030120 k( 294) = ( 0.5000000 0.2886751 0.1074426), wk = 0.0030120 k( 295) = ( 0.5000000 0.2886751 0.0940123), wk = 0.0030120 k( 296) = ( 0.5000000 0.2886751 0.0805820), wk = 0.0030120 k( 297) = ( 0.5000000 0.2886751 0.0671516), wk = 0.0030120 k( 298) = ( 0.5000000 0.2886751 0.0537213), wk = 0.0030120 k( 299) = ( 0.5000000 0.2886751 0.0402910), wk = 0.0030120 k( 300) = ( 0.5000000 0.2886751 0.0268607), wk = 0.0030120 k( 301) = ( 0.5000000 0.2886751 0.0134303), wk = 0.0030120 k( 302) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030120 k( 303) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030120 k( 304) = ( 0.3333333 0.5773503 0.0134303), wk = 0.0030120 k( 305) = ( 0.3333333 0.5773503 0.0268607), wk = 0.0030120 k( 306) = ( 0.3333333 0.5773503 0.0402910), wk = 0.0030120 k( 307) = ( 0.3333333 0.5773503 0.0537213), wk = 0.0030120 k( 308) = ( 0.3333333 0.5773503 0.0671516), wk = 0.0030120 k( 309) = ( 0.3333333 0.5773503 0.0805820), wk = 0.0030120 k( 310) = ( 0.3333333 0.5773503 0.0940123), wk = 0.0030120 k( 311) = ( 0.3333333 0.5773503 0.1074426), wk = 0.0030120 k( 312) = ( 0.3333333 0.5773503 0.1208729), wk = 0.0030120 k( 313) = ( 0.3333333 0.5773503 0.1343033), wk = 0.0030120 k( 314) = ( 0.3333333 0.5773503 0.1477336), wk = 0.0030120 k( 315) = ( 0.3333333 0.5773503 0.1611639), wk = 0.0030120 k( 316) = ( 0.3333333 0.5773503 0.1745942), wk = 0.0030120 k( 317) = ( 0.3333333 0.5773503 0.1880246), wk = 0.0030120 k( 318) = ( 0.3333333 0.5773503 0.2014549), wk = 0.0030120 k( 319) = ( 0.3333333 0.5773503 0.2148852), wk = 0.0030120 k( 320) = ( 0.3333333 0.5773503 0.2283156), wk = 0.0030120 k( 321) = ( 0.3333333 0.5773503 0.2417459), wk = 0.0030120 k( 322) = ( 0.3333333 0.5773503 0.2551762), wk = 0.0030120 k( 323) = ( 0.3333333 0.5773503 0.2686065), wk = 0.0030120 k( 324) = ( 0.3333333 0.5773503 0.2820369), wk = 0.0030120 k( 325) = ( 0.3333333 0.5773503 0.2954672), wk = 0.0030120 k( 326) = ( 0.3333333 0.5773503 0.3088975), wk = 0.0030120 k( 327) = ( 0.3333333 0.5773503 0.3223278), wk = 0.0030120 k( 328) = ( 0.3333333 0.5773503 0.3357582), wk = 0.0030120 k( 329) = ( 0.3333333 0.5773503 0.3491885), wk = 0.0030120 k( 330) = ( 0.3333333 0.5773503 0.3626188), wk = 0.0030120 k( 331) = ( 0.3333333 0.5773503 0.3760491), wk = 0.0030120 k( 332) = ( 0.3333333 0.5773503 0.3894795), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0116279 0.0000000 -0.0000000), wk = 0.0030120 k( 3) = ( 0.0232558 0.0000000 -0.0000000), wk = 0.0030120 k( 4) = ( 0.0348837 0.0000000 -0.0000000), wk = 0.0030120 k( 5) = ( 0.0465116 0.0000000 -0.0000000), wk = 0.0030120 k( 6) = ( 0.0581395 0.0000000 -0.0000000), wk = 0.0030120 k( 7) = ( 0.0697674 0.0000000 -0.0000000), wk = 0.0030120 k( 8) = ( 0.0813954 0.0000000 -0.0000000), wk = 0.0030120 k( 9) = ( 0.0930233 0.0000000 -0.0000000), wk = 0.0030120 k( 10) = ( 0.1046512 0.0000000 -0.0000000), wk = 0.0030120 k( 11) = ( 0.1162791 0.0000000 -0.0000000), wk = 0.0030120 k( 12) = ( 0.1279070 0.0000000 0.0000000), wk = 0.0030120 k( 13) = ( 0.1395349 0.0000000 -0.0000000), wk = 0.0030120 k( 14) = ( 0.1511628 0.0000000 0.0000000), wk = 0.0030120 k( 15) = ( 0.1627907 0.0000000 -0.0000000), wk = 0.0030120 k( 16) = ( 0.1744186 0.0000000 -0.0000000), wk = 0.0030120 k( 17) = ( 0.1860465 0.0000000 -0.0000000), wk = 0.0030120 k( 18) = ( 0.1976744 0.0000000 -0.0000000), wk = 0.0030120 k( 19) = ( 0.2093023 0.0000000 -0.0000000), wk = 0.0030120 k( 20) = ( 0.2209302 0.0000000 -0.0000000), wk = 0.0030120 k( 21) = ( 0.2325581 0.0000000 -0.0000000), wk = 0.0030120 k( 22) = ( 0.2441860 0.0000000 -0.0000000), wk = 0.0030120 k( 23) = ( 0.2558140 -0.0000000 0.0000000), wk = 0.0030120 k( 24) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0030120 k( 25) = ( 0.2790698 -0.0000000 0.0000000), wk = 0.0030120 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0030120 k( 27) = ( 0.3023256 0.0000000 0.0000000), wk = 0.0030120 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0030120 k( 29) = ( 0.3255814 0.0000000 -0.0000000), wk = 0.0030120 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0030120 k( 31) = ( 0.3488372 0.0000000 0.0000000), wk = 0.0030120 k( 32) = ( 0.3604651 0.0000000 -0.0000000), wk = 0.0030120 k( 33) = ( 0.3720930 0.0000000 -0.0000000), wk = 0.0030120 k( 34) = ( 0.3837209 -0.0000000 0.0000000), wk = 0.0030120 k( 35) = ( 0.3953488 0.0000000 -0.0000000), wk = 0.0030120 k( 36) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0030120 k( 37) = ( 0.4186047 0.0000000 -0.0000000), wk = 0.0030120 k( 38) = ( 0.4302326 0.0000000 -0.0000000), wk = 0.0030120 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0030120 k( 40) = ( 0.4534884 -0.0000000 -0.0000000), wk = 0.0030120 k( 41) = ( 0.4651163 0.0000000 -0.0000000), wk = 0.0030120 k( 42) = ( 0.4767442 0.0000000 0.0000000), wk = 0.0030120 k( 43) = ( 0.4883721 0.0000000 -0.0000000), wk = 0.0030120 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030120 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030120 k( 46) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0030120 k( 47) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0030120 k( 48) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0030120 k( 49) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0030120 k( 50) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0030120 k( 51) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0030120 k( 52) = ( 0.4533333 0.0933333 -0.0000000), wk = 0.0030120 k( 53) = ( 0.4466667 0.1066667 -0.0000000), wk = 0.0030120 k( 54) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0030120 k( 55) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0030120 k( 56) = ( 0.4266667 0.1466667 -0.0000000), wk = 0.0030120 k( 57) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0030120 k( 58) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0030120 k( 59) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0030120 k( 60) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0030120 k( 61) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0030120 k( 62) = ( 0.3866667 0.2266667 -0.0000000), wk = 0.0030120 k( 63) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0030120 k( 64) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0030120 k( 65) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0030120 k( 66) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0030120 k( 67) = ( 0.3533333 0.2933333 -0.0000000), wk = 0.0030120 k( 68) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0030120 k( 69) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0030120 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030120 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030120 k( 72) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0030120 k( 73) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0030120 k( 74) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0030120 k( 75) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0030120 k( 76) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030120 k( 77) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0030120 k( 78) = ( 0.2866667 0.2866667 0.0000000), wk = 0.0030120 k( 79) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0030120 k( 80) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0030120 k( 81) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0030120 k( 82) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0030120 k( 83) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0030120 k( 84) = ( 0.2466667 0.2466667 -0.0000000), wk = 0.0030120 k( 85) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0030120 k( 86) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0030120 k( 87) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0030120 k( 88) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0030120 k( 89) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0030120 k( 90) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0030120 k( 91) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030120 k( 92) = ( 0.1933333 0.1933333 -0.0000000), wk = 0.0030120 k( 93) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0030120 k( 94) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0030120 k( 95) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0030120 k( 96) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030120 k( 97) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0030120 k( 98) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0030120 k( 99) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0030120 k( 100) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0030120 k( 101) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0030120 k( 102) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0030120 k( 103) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0030120 k( 104) = ( 0.1133333 0.1133333 0.0000000), wk = 0.0030120 k( 105) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0030120 k( 106) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030120 k( 107) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0030120 k( 108) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0030120 k( 109) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0030120 k( 110) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0030120 k( 111) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0030120 k( 112) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0030120 k( 113) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0030120 k( 114) = ( 0.0466667 0.0466667 -0.0000000), wk = 0.0030120 k( 115) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0030120 k( 116) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0030120 k( 117) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0030120 k( 118) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0030120 k( 119) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0030120 k( 120) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0030120 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 123) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0030120 k( 124) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0030120 k( 125) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0030120 k( 126) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0030120 k( 127) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0030120 k( 128) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0030120 k( 129) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0030120 k( 130) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0030120 k( 131) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0030120 k( 132) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0030120 k( 133) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0030120 k( 134) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0030120 k( 135) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0030120 k( 136) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0030120 k( 137) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0030120 k( 138) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0030120 k( 139) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0030120 k( 140) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0030120 k( 141) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0030120 k( 142) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0030120 k( 143) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0030120 k( 144) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0030120 k( 145) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0030120 k( 146) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0030120 k( 147) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0030120 k( 148) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0030120 k( 149) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 153) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0030120 k( 154) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0030120 k( 155) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0030120 k( 156) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0030120 k( 157) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0030120 k( 158) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0030120 k( 159) = ( 0.0813954 0.0000000 0.5000000), wk = 0.0030120 k( 160) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0030120 k( 161) = ( 0.1046512 0.0000000 0.5000000), wk = 0.0030120 k( 162) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0030120 k( 163) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0030120 k( 164) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0030120 k( 165) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0030120 k( 166) = ( 0.1627907 0.0000000 0.5000000), wk = 0.0030120 k( 167) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0030120 k( 168) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0030120 k( 169) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0030120 k( 170) = ( 0.2093023 0.0000000 0.5000000), wk = 0.0030120 k( 171) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0030120 k( 172) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0030120 k( 173) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0030120 k( 174) = ( 0.2558140 -0.0000000 0.5000000), wk = 0.0030120 k( 175) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0030120 k( 176) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0030120 k( 177) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0030120 k( 178) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0030120 k( 179) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0030120 k( 180) = ( 0.3255814 0.0000000 0.5000000), wk = 0.0030120 k( 181) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0030120 k( 182) = ( 0.3488372 0.0000000 0.5000000), wk = 0.0030120 k( 183) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0030120 k( 184) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0030120 k( 185) = ( 0.3837209 -0.0000000 0.5000000), wk = 0.0030120 k( 186) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0030120 k( 187) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0030120 k( 188) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0030120 k( 189) = ( 0.4302326 0.0000000 0.5000000), wk = 0.0030120 k( 190) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0030120 k( 191) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0030120 k( 192) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0030120 k( 193) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0030120 k( 194) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0030120 k( 195) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 196) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 197) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0030120 k( 198) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0030120 k( 199) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0030120 k( 200) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0030120 k( 201) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0030120 k( 202) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0030120 k( 203) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0030120 k( 204) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0030120 k( 205) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0030120 k( 206) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0030120 k( 207) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0030120 k( 208) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0030120 k( 209) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0030120 k( 210) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0030120 k( 211) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0030120 k( 212) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0030120 k( 213) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0030120 k( 214) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0030120 k( 215) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0030120 k( 216) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0030120 k( 217) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0030120 k( 218) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0030120 k( 219) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0030120 k( 220) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0030120 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030120 k( 222) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030120 k( 223) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0030120 k( 224) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0030120 k( 225) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0030120 k( 226) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0030120 k( 227) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0030120 k( 228) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0030120 k( 229) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0030120 k( 230) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0030120 k( 231) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0030120 k( 232) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0030120 k( 233) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0030120 k( 234) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0030120 k( 235) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0030120 k( 236) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0030120 k( 237) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0030120 k( 238) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0030120 k( 239) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0030120 k( 240) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0030120 k( 241) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0030120 k( 242) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0030120 k( 243) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0030120 k( 244) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0030120 k( 245) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0030120 k( 246) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0030120 k( 247) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0030120 k( 248) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0030120 k( 249) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0030120 k( 250) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0030120 k( 251) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0030120 k( 252) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0030120 k( 253) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0030120 k( 254) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0030120 k( 255) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0030120 k( 256) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0030120 k( 257) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0030120 k( 258) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0030120 k( 259) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0030120 k( 260) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0030120 k( 261) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0030120 k( 262) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0030120 k( 263) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0030120 k( 264) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0030120 k( 265) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0030120 k( 266) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0030120 k( 267) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0030120 k( 268) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0030120 k( 269) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0030120 k( 270) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0030120 k( 271) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0030120 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 273) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 274) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0030120 k( 275) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0030120 k( 276) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0030120 k( 277) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0030120 k( 278) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0030120 k( 279) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0030120 k( 280) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0030120 k( 281) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0030120 k( 282) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0030120 k( 283) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0030120 k( 284) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0030120 k( 285) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0030120 k( 286) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0030120 k( 287) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0030120 k( 288) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0030120 k( 289) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0030120 k( 290) = ( 0.5000000 0.0000000 0.2068965), wk = 0.0030120 k( 291) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0030120 k( 292) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0030120 k( 293) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0030120 k( 294) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0030120 k( 295) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0030120 k( 296) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0030120 k( 297) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0030120 k( 298) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0030120 k( 299) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0030120 k( 300) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0030120 k( 301) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0030120 k( 302) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030120 k( 303) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030120 k( 304) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0030120 k( 305) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0030120 k( 306) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0030120 k( 307) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0030120 k( 308) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0030120 k( 309) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0030120 k( 310) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0030120 k( 311) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0030120 k( 312) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0030120 k( 313) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0030120 k( 314) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0030120 k( 315) = ( 0.3333333 0.3333333 0.2068965), wk = 0.0030120 k( 316) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0030120 k( 317) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0030120 k( 318) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0030120 k( 319) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0030120 k( 320) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0030120 k( 321) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0030120 k( 322) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0030120 k( 323) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0030120 k( 324) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0030120 k( 325) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0030120 k( 326) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0030120 k( 327) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0030120 k( 328) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0030120 k( 329) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0030120 k( 330) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0030120 k( 331) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0030120 k( 332) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030120 Dense grid: 87729 G-vectors FFT dimensions: ( 54, 54, 72) Smooth grid: 25203 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 200, 58) NL pseudopotentials 0.21 Mb ( 100, 136) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2442) G-vector shells 0.01 Mb ( 1190) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 200, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 136, 2, 58) The potential is recalculated from file : ./PtPb.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.2 secs Computing kpt #: 7 total cpu time spent up to now is 6.8 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.8 secs Computing kpt #: 11 total cpu time spent up to now is 9.4 secs Computing kpt #: 12 total cpu time spent up to now is 10.1 secs Computing kpt #: 13 total cpu time spent up to now is 10.7 secs Computing kpt #: 14 total cpu time spent up to now is 11.2 secs Computing kpt #: 15 total cpu time spent up to now is 11.8 secs Computing kpt #: 16 total cpu time spent up to now is 12.4 secs Computing kpt #: 17 total cpu time spent up to now is 13.0 secs Computing kpt #: 18 total cpu time spent up to now is 13.6 secs Computing kpt #: 19 total cpu time spent up to now is 14.2 secs Computing kpt #: 20 total cpu time spent up to now is 14.7 secs Computing kpt #: 21 total cpu time spent up to now is 15.3 secs Computing kpt #: 22 total cpu time spent up to now is 15.9 secs Computing kpt #: 23 total cpu time spent up to now is 16.4 secs Computing kpt #: 24 total cpu time spent up to now is 17.0 secs Computing kpt #: 25 total cpu time spent up to now is 17.6 secs Computing kpt #: 26 total cpu time spent up to now is 18.1 secs Computing kpt #: 27 total cpu time spent up to now is 18.7 secs Computing kpt #: 28 total cpu time spent up to now is 19.3 secs Computing kpt #: 29 total cpu time spent up to now is 19.9 secs Computing kpt #: 30 total cpu time spent up to now is 20.4 secs Computing kpt #: 31 total cpu time spent up to now is 21.0 secs Computing kpt #: 32 total cpu time spent up to now is 21.6 secs Computing kpt #: 33 total cpu time spent up to now is 22.2 secs Computing kpt #: 34 total cpu time spent up to now is 22.8 secs Computing kpt #: 35 total cpu time spent up to now is 23.5 secs Computing kpt #: 36 total cpu time spent up to now is 24.2 secs Computing kpt #: 37 total cpu time spent up to now is 25.0 secs Computing kpt #: 38 total cpu time spent up to now is 25.8 secs Computing kpt #: 39 total cpu time spent up to now is 26.7 secs Computing kpt #: 40 total cpu time spent up to now is 27.7 secs Computing kpt #: 41 total cpu time spent up to now is 28.3 secs Computing kpt #: 42 total cpu time spent up to now is 29.2 secs Computing kpt #: 43 total cpu time spent up to now is 30.1 secs Computing kpt #: 44 total cpu time spent up to now is 30.7 secs Computing kpt #: 45 total cpu time spent up to now is 31.3 secs Computing kpt #: 46 total cpu time spent up to now is 32.1 secs Computing kpt #: 47 total cpu time spent up to now is 32.7 secs Computing kpt #: 48 total cpu time spent up to now is 33.3 secs Computing kpt #: 49 total cpu time spent up to now is 33.9 secs Computing kpt #: 50 total cpu time spent up to now is 34.5 secs Computing kpt #: 51 total cpu time spent up to now is 35.1 secs Computing kpt #: 52 total cpu time spent up to now is 35.6 secs Computing kpt #: 53 total cpu time spent up to now is 36.2 secs Computing kpt #: 54 total cpu time spent up to now is 36.8 secs Computing kpt #: 55 total cpu time spent up to now is 37.3 secs Computing kpt #: 56 total cpu time spent up to now is 37.9 secs Computing kpt #: 57 total cpu time spent up to now is 38.4 secs Computing kpt #: 58 total cpu time spent up to now is 38.9 secs Computing kpt #: 59 total cpu time spent up to now is 39.4 secs Computing kpt #: 60 total cpu time spent up to now is 39.8 secs Computing kpt #: 61 total cpu time spent up to now is 40.3 secs Computing kpt #: 62 total cpu time spent up to now is 40.8 secs Computing kpt #: 63 total cpu time spent up to now is 41.2 secs Computing kpt #: 64 total cpu time spent up to now is 41.7 secs Computing kpt #: 65 total cpu time spent up to now is 42.1 secs Computing kpt #: 66 total cpu time spent up to now is 42.5 secs Computing kpt #: 67 total cpu time spent up to now is 43.0 secs Computing kpt #: 68 total cpu time spent up to now is 43.4 secs Computing kpt #: 69 total cpu time spent up to now is 43.8 secs Computing kpt #: 70 total cpu time spent up to now is 44.2 secs Computing kpt #: 71 total cpu time spent up to now is 44.7 secs Computing kpt #: 72 total cpu time spent up to now is 45.1 secs Computing kpt #: 73 total cpu time spent up to now is 45.5 secs Computing kpt #: 74 total cpu time spent up to now is 45.9 secs Computing kpt #: 75 total cpu time spent up to now is 46.4 secs Computing kpt #: 76 total cpu time spent up to now is 46.8 secs Computing kpt #: 77 total cpu time spent up to now is 47.2 secs Computing kpt #: 78 total cpu time spent up to now is 47.7 secs Computing kpt #: 79 total cpu time spent up to now is 48.1 secs Computing kpt #: 80 total cpu time spent up to now is 48.6 secs Computing kpt #: 81 total cpu time spent up to now is 49.0 secs Computing kpt #: 82 total cpu time spent up to now is 49.5 secs Computing kpt #: 83 total cpu time spent up to now is 50.0 secs Computing kpt #: 84 total cpu time spent up to now is 50.4 secs Computing kpt #: 85 total cpu time spent up to now is 50.9 secs Computing kpt #: 86 total cpu time spent up to now is 51.4 secs Computing kpt #: 87 total cpu time spent up to now is 51.9 secs Computing kpt #: 88 total cpu time spent up to now is 52.4 secs Computing kpt #: 89 total cpu time spent up to now is 52.9 secs Computing kpt #: 90 total cpu time spent up to now is 53.4 secs Computing kpt #: 91 total cpu time spent up to now is 54.0 secs Computing kpt #: 92 total cpu time spent up to now is 54.5 secs Computing kpt #: 93 total cpu time spent up to now is 55.1 secs Computing kpt #: 94 total cpu time spent up to now is 55.6 secs Computing kpt #: 95 total cpu time spent up to now is 56.1 secs Computing kpt #: 96 total cpu time spent up to now is 56.7 secs Computing kpt #: 97 total cpu time spent up to now is 57.3 secs Computing kpt #: 98 total cpu time spent up to now is 57.8 secs Computing kpt #: 99 total cpu time spent up to now is 58.4 secs Computing kpt #: 100 total cpu time spent up to now is 58.9 secs Computing kpt #: 101 total cpu time spent up to now is 59.5 secs Computing kpt #: 102 total cpu time spent up to now is 60.0 secs Computing kpt #: 103 total cpu time spent up to now is 60.6 secs Computing kpt #: 104 total cpu time spent up to now is 61.2 secs Computing kpt #: 105 total cpu time spent up to now is 61.7 secs Computing kpt #: 106 total cpu time spent up to now is 62.3 secs Computing kpt #: 107 total cpu time spent up to now is 62.8 secs Computing kpt #: 108 total cpu time spent up to now is 63.4 secs Computing kpt #: 109 total cpu time spent up to now is 64.0 secs Computing kpt #: 110 total cpu time spent up to now is 64.5 secs Computing kpt #: 111 total cpu time spent up to now is 65.1 secs Computing kpt #: 112 total cpu time spent up to now is 65.7 secs Computing kpt #: 113 total cpu time spent up to now is 66.4 secs Computing kpt #: 114 total cpu time spent up to now is 67.0 secs Computing kpt #: 115 total cpu time spent up to now is 67.6 secs Computing kpt #: 116 total cpu time spent up to now is 68.2 secs Computing kpt #: 117 total cpu time spent up to now is 68.8 secs Computing kpt #: 118 total cpu time spent up to now is 69.4 secs Computing kpt #: 119 total cpu time spent up to now is 70.2 secs Computing kpt #: 120 total cpu time spent up to now is 71.0 secs Computing kpt #: 121 total cpu time spent up to now is 71.9 secs Computing kpt #: 122 total cpu time spent up to now is 72.7 secs Computing kpt #: 123 total cpu time spent up to now is 73.6 secs Computing kpt #: 124 total cpu time spent up to now is 74.5 secs Computing kpt #: 125 total cpu time spent up to now is 75.2 secs Computing kpt #: 126 total cpu time spent up to now is 75.9 secs Computing kpt #: 127 total cpu time spent up to now is 76.7 secs Computing kpt #: 128 total cpu time spent up to now is 77.4 secs Computing kpt #: 129 total cpu time spent up to now is 78.0 secs Computing kpt #: 130 total cpu time spent up to now is 78.6 secs Computing kpt #: 131 total cpu time spent up to now is 79.1 secs Computing kpt #: 132 total cpu time spent up to now is 79.7 secs Computing kpt #: 133 total cpu time spent up to now is 80.2 secs Computing kpt #: 134 total cpu time spent up to now is 80.8 secs Computing kpt #: 135 total cpu time spent up to now is 81.3 secs Computing kpt #: 136 total cpu time spent up to now is 81.9 secs Computing kpt #: 137 total cpu time spent up to now is 82.4 secs Computing kpt #: 138 total cpu time spent up to now is 82.9 secs Computing kpt #: 139 total cpu time spent up to now is 83.4 secs Computing kpt #: 140 total cpu time spent up to now is 83.8 secs Computing kpt #: 141 total cpu time spent up to now is 84.3 secs Computing kpt #: 142 total cpu time spent up to now is 84.8 secs Computing kpt #: 143 total cpu time spent up to now is 85.3 secs Computing kpt #: 144 total cpu time spent up to now is 85.8 secs Computing kpt #: 145 total cpu time spent up to now is 86.3 secs Computing kpt #: 146 total cpu time spent up to now is 86.7 secs Computing kpt #: 147 total cpu time spent up to now is 87.2 secs Computing kpt #: 148 total cpu time spent up to now is 87.7 secs Computing kpt #: 149 total cpu time spent up to now is 88.2 secs Computing kpt #: 150 total cpu time spent up to now is 88.8 secs Computing kpt #: 151 total cpu time spent up to now is 89.4 secs Computing kpt #: 152 total cpu time spent up to now is 89.9 secs Computing kpt #: 153 total cpu time spent up to now is 90.5 secs Computing kpt #: 154 total cpu time spent up to now is 91.0 secs Computing kpt #: 155 total cpu time spent up to now is 91.6 secs Computing kpt #: 156 total cpu time spent up to now is 92.2 secs Computing kpt #: 157 total cpu time spent up to now is 92.7 secs Computing kpt #: 158 total cpu time spent up to now is 93.2 secs Computing kpt #: 159 total cpu time spent up to now is 93.7 secs Computing kpt #: 160 total cpu time spent up to now is 94.1 secs Computing kpt #: 161 total cpu time spent up to now is 94.6 secs Computing kpt #: 162 total cpu time spent up to now is 95.1 secs Computing kpt #: 163 total cpu time spent up to now is 95.6 secs Computing kpt #: 164 total cpu time spent up to now is 96.1 secs Computing kpt #: 165 total cpu time spent up to now is 96.6 secs Computing kpt #: 166 total cpu time spent up to now is 97.1 secs Computing kpt #: 167 total cpu time spent up to now is 97.6 secs Computing kpt #: 168 total cpu time spent up to now is 98.1 secs Computing kpt #: 169 total cpu time spent up to now is 98.6 secs Computing kpt #: 170 total cpu time spent up to now is 99.1 secs Computing kpt #: 171 total cpu time spent up to now is 99.5 secs Computing kpt #: 172 total cpu time spent up to now is 100.0 secs Computing kpt #: 173 total cpu time spent up to now is 100.5 secs Computing kpt #: 174 total cpu time spent up to now is 101.0 secs Computing kpt #: 175 total cpu time spent up to now is 101.4 secs Computing kpt #: 176 total cpu time spent up to now is 101.9 secs Computing kpt #: 177 total cpu time spent up to now is 102.4 secs Computing kpt #: 178 total cpu time spent up to now is 102.8 secs Computing kpt #: 179 total cpu time spent up to now is 103.3 secs Computing kpt #: 180 total cpu time spent up to now is 103.8 secs Computing kpt #: 181 total cpu time spent up to now is 104.3 secs Computing kpt #: 182 total cpu time spent up to now is 104.7 secs Computing kpt #: 183 total cpu time spent up to now is 105.2 secs Computing kpt #: 184 total cpu time spent up to now is 105.7 secs Computing kpt #: 185 total cpu time spent up to now is 106.1 secs Computing kpt #: 186 total cpu time spent up to now is 106.6 secs Computing kpt #: 187 total cpu time spent up to now is 107.1 secs Computing kpt #: 188 total cpu time spent up to now is 107.5 secs Computing kpt #: 189 total cpu time spent up to now is 108.0 secs Computing kpt #: 190 total cpu time spent up to now is 108.5 secs Computing kpt #: 191 total cpu time spent up to now is 108.9 secs Computing kpt #: 192 total cpu time spent up to now is 109.4 secs Computing kpt #: 193 total cpu time spent up to now is 109.9 secs Computing kpt #: 194 total cpu time spent up to now is 110.3 secs Computing kpt #: 195 total cpu time spent up to now is 110.8 secs Computing kpt #: 196 total cpu time spent up to now is 111.2 secs Computing kpt #: 197 total cpu time spent up to now is 111.8 secs Computing kpt #: 198 total cpu time spent up to now is 112.4 secs Computing kpt #: 199 total cpu time spent up to now is 113.0 secs Computing kpt #: 200 total cpu time spent up to now is 113.5 secs Computing kpt #: 201 total cpu time spent up to now is 114.1 secs Computing kpt #: 202 total cpu time spent up to now is 114.6 secs Computing kpt #: 203 total cpu time spent up to now is 115.2 secs Computing kpt #: 204 total cpu time spent up to now is 115.7 secs Computing kpt #: 205 total cpu time spent up to now is 116.3 secs Computing kpt #: 206 total cpu time spent up to now is 116.8 secs Computing kpt #: 207 total cpu time spent up to now is 117.4 secs Computing kpt #: 208 total cpu time spent up to now is 117.9 secs Computing kpt #: 209 total cpu time spent up to now is 118.5 secs Computing kpt #: 210 total cpu time spent up to now is 119.0 secs Computing kpt #: 211 total cpu time spent up to now is 119.6 secs Computing kpt #: 212 total cpu time spent up to now is 120.2 secs Computing kpt #: 213 total cpu time spent up to now is 120.9 secs Computing kpt #: 214 total cpu time spent up to now is 121.5 secs Computing kpt #: 215 total cpu time spent up to now is 122.2 secs Computing kpt #: 216 total cpu time spent up to now is 122.9 secs Computing kpt #: 217 total cpu time spent up to now is 123.6 secs Computing kpt #: 218 total cpu time spent up to now is 124.3 secs Computing kpt #: 219 total cpu time spent up to now is 125.1 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.6 secs Computing kpt #: 221 total cpu time spent up to now is 127.6 secs Computing kpt #: 222 total cpu time spent up to now is 128.6 secs Computing kpt #: 223 total cpu time spent up to now is 129.9 secs Computing kpt #: 224 total cpu time spent up to now is 130.7 secs Computing kpt #: 225 total cpu time spent up to now is 131.5 secs Computing kpt #: 226 total cpu time spent up to now is 132.2 secs Computing kpt #: 227 total cpu time spent up to now is 132.8 secs Computing kpt #: 228 total cpu time spent up to now is 133.5 secs Computing kpt #: 229 total cpu time spent up to now is 134.1 secs Computing kpt #: 230 total cpu time spent up to now is 134.7 secs Computing kpt #: 231 total cpu time spent up to now is 135.3 secs Computing kpt #: 232 total cpu time spent up to now is 135.9 secs Computing kpt #: 233 total cpu time spent up to now is 136.5 secs Computing kpt #: 234 total cpu time spent up to now is 137.1 secs Computing kpt #: 235 total cpu time spent up to now is 137.7 secs Computing kpt #: 236 total cpu time spent up to now is 138.4 secs Computing kpt #: 237 total cpu time spent up to now is 139.1 secs Computing kpt #: 238 total cpu time spent up to now is 139.9 secs Computing kpt #: 239 total cpu time spent up to now is 140.5 secs Computing kpt #: 240 total cpu time spent up to now is 141.5 secs Computing kpt #: 241 total cpu time spent up to now is 142.7 secs Computing kpt #: 242 total cpu time spent up to now is 143.7 secs Computing kpt #: 243 total cpu time spent up to now is 144.6 secs Computing kpt #: 244 total cpu time spent up to now is 145.4 secs Computing kpt #: 245 total cpu time spent up to now is 146.1 secs Computing kpt #: 246 total cpu time spent up to now is 146.7 secs Computing kpt #: 247 total cpu time spent up to now is 147.3 secs Computing kpt #: 248 total cpu time spent up to now is 147.9 secs Computing kpt #: 249 total cpu time spent up to now is 148.6 secs Computing kpt #: 250 total cpu time spent up to now is 149.2 secs Computing kpt #: 251 total cpu time spent up to now is 149.8 secs Computing kpt #: 252 total cpu time spent up to now is 150.4 secs Computing kpt #: 253 total cpu time spent up to now is 150.9 secs Computing kpt #: 254 total cpu time spent up to now is 151.5 secs Computing kpt #: 255 total cpu time spent up to now is 152.0 secs Computing kpt #: 256 total cpu time spent up to now is 152.6 secs Computing kpt #: 257 total cpu time spent up to now is 153.2 secs Computing kpt #: 258 total cpu time spent up to now is 153.7 secs Computing kpt #: 259 total cpu time spent up to now is 154.3 secs Computing kpt #: 260 total cpu time spent up to now is 154.8 secs Computing kpt #: 261 total cpu time spent up to now is 155.4 secs Computing kpt #: 262 total cpu time spent up to now is 155.9 secs Computing kpt #: 263 total cpu time spent up to now is 156.5 secs Computing kpt #: 264 total cpu time spent up to now is 157.1 secs Computing kpt #: 265 total cpu time spent up to now is 157.6 secs Computing kpt #: 266 total cpu time spent up to now is 158.2 secs Computing kpt #: 267 total cpu time spent up to now is 158.8 secs Computing kpt #: 268 total cpu time spent up to now is 159.4 secs Computing kpt #: 269 total cpu time spent up to now is 160.0 secs Computing kpt #: 270 total cpu time spent up to now is 160.6 secs Computing kpt #: 271 total cpu time spent up to now is 161.2 secs Computing kpt #: 272 total cpu time spent up to now is 161.8 secs Computing kpt #: 273 total cpu time spent up to now is 162.2 secs Computing kpt #: 274 total cpu time spent up to now is 162.8 secs Computing kpt #: 275 total cpu time spent up to now is 163.3 secs Computing kpt #: 276 total cpu time spent up to now is 163.8 secs Computing kpt #: 277 total cpu time spent up to now is 164.2 secs Computing kpt #: 278 total cpu time spent up to now is 164.7 secs Computing kpt #: 279 total cpu time spent up to now is 165.1 secs Computing kpt #: 280 total cpu time spent up to now is 165.6 secs Computing kpt #: 281 total cpu time spent up to now is 166.0 secs Computing kpt #: 282 total cpu time spent up to now is 166.5 secs Computing kpt #: 283 total cpu time spent up to now is 166.9 secs Computing kpt #: 284 total cpu time spent up to now is 167.4 secs Computing kpt #: 285 total cpu time spent up to now is 167.8 secs Computing kpt #: 286 total cpu time spent up to now is 168.3 secs Computing kpt #: 287 total cpu time spent up to now is 168.8 secs Computing kpt #: 288 total cpu time spent up to now is 169.3 secs Computing kpt #: 289 total cpu time spent up to now is 169.9 secs Computing kpt #: 290 total cpu time spent up to now is 170.4 secs Computing kpt #: 291 total cpu time spent up to now is 171.0 secs Computing kpt #: 292 total cpu time spent up to now is 171.5 secs Computing kpt #: 293 total cpu time spent up to now is 172.1 secs Computing kpt #: 294 total cpu time spent up to now is 172.7 secs Computing kpt #: 295 total cpu time spent up to now is 173.3 secs Computing kpt #: 296 total cpu time spent up to now is 173.9 secs Computing kpt #: 297 total cpu time spent up to now is 174.5 secs Computing kpt #: 298 total cpu time spent up to now is 175.2 secs Computing kpt #: 299 total cpu time spent up to now is 176.0 secs Computing kpt #: 300 total cpu time spent up to now is 176.6 secs Computing kpt #: 301 total cpu time spent up to now is 177.4 secs Computing kpt #: 302 total cpu time spent up to now is 178.0 secs Computing kpt #: 303 total cpu time spent up to now is 178.4 secs Computing kpt #: 304 total cpu time spent up to now is 178.9 secs Computing kpt #: 305 total cpu time spent up to now is 179.5 secs Computing kpt #: 306 total cpu time spent up to now is 180.1 secs Computing kpt #: 307 total cpu time spent up to now is 180.7 secs Computing kpt #: 308 total cpu time spent up to now is 181.1 secs Computing kpt #: 309 total cpu time spent up to now is 181.6 secs Computing kpt #: 310 total cpu time spent up to now is 182.0 secs Computing kpt #: 311 total cpu time spent up to now is 182.5 secs Computing kpt #: 312 total cpu time spent up to now is 182.9 secs Computing kpt #: 313 total cpu time spent up to now is 183.3 secs Computing kpt #: 314 total cpu time spent up to now is 183.8 secs Computing kpt #: 315 total cpu time spent up to now is 184.2 secs Computing kpt #: 316 total cpu time spent up to now is 184.7 secs Computing kpt #: 317 total cpu time spent up to now is 185.2 secs Computing kpt #: 318 total cpu time spent up to now is 185.7 secs Computing kpt #: 319 total cpu time spent up to now is 186.2 secs Computing kpt #: 320 total cpu time spent up to now is 186.7 secs Computing kpt #: 321 total cpu time spent up to now is 187.3 secs Computing kpt #: 322 total cpu time spent up to now is 187.8 secs Computing kpt #: 323 total cpu time spent up to now is 188.5 secs Computing kpt #: 324 total cpu time spent up to now is 189.4 secs Computing kpt #: 325 total cpu time spent up to now is 190.1 secs Computing kpt #: 326 total cpu time spent up to now is 190.8 secs Computing kpt #: 327 total cpu time spent up to now is 191.5 secs Computing kpt #: 328 total cpu time spent up to now is 192.1 secs Computing kpt #: 329 total cpu time spent up to now is 192.8 secs Computing kpt #: 330 total cpu time spent up to now is 193.5 secs Computing kpt #: 331 total cpu time spent up to now is 194.3 secs Computing kpt #: 332 total cpu time spent up to now is 195.4 secs ethr = 2.08E-08, avg # of iterations = 28.2 total cpu time spent up to now is 195.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3137 PWs) bands (ev): -4.9099 -4.9099 -4.5343 -4.5343 -4.4271 -4.4271 -4.3098 -4.3098 -2.3199 -2.3199 -2.2596 -2.2596 -1.8431 -1.8431 -1.7559 -1.7559 -1.5825 -1.5825 -1.5580 -1.5580 1.8636 1.8636 7.5520 7.5520 7.6805 7.6805 9.4953 9.4953 9.7331 9.7331 10.6396 10.6396 10.6969 10.6969 10.7357 10.7357 11.7305 11.7305 11.7472 11.7472 11.8359 11.8359 12.0148 12.0148 12.8881 12.8881 16.1376 16.1376 16.7763 16.7763 17.7514 17.7514 18.4875 18.4875 19.0833 19.0833 19.9369 19.9369 k = 0.0116 0.0067-0.0000 ( 3133 PWs) bands (ev): -4.9099 -4.9099 -4.5343 -4.5343 -4.4270 -4.4270 -4.3098 -4.3098 -2.3199 -2.3199 -2.2596 -2.2596 -1.8431 -1.8431 -1.7558 -1.7558 -1.5825 -1.5825 -1.5580 -1.5580 1.8649 1.8649 7.5516 7.5516 7.6819 7.6819 9.4950 9.4950 9.7322 9.7322 10.6384 10.6384 10.6954 10.6954 10.7358 10.7358 11.7316 11.7316 11.7485 11.7485 11.8351 11.8351 12.0157 12.0157 12.8894 12.8894 16.1230 16.1230 16.7789 16.7789 17.7391 17.7391 18.4800 18.4800 19.0932 19.0932 19.9158 19.9158 k = 0.0233 0.0134-0.0000 ( 3121 PWs) bands (ev): -4.9099 -4.9099 -4.5343 -4.5343 -4.4269 -4.4269 -4.3098 -4.3098 -2.3199 -2.3199 -2.2596 -2.2596 -1.8431 -1.8431 -1.7556 -1.7556 -1.5824 -1.5824 -1.5580 -1.5580 1.8689 1.8689 7.5504 7.5504 7.6861 7.6861 9.4940 9.4940 9.7297 9.7297 10.6348 10.6348 10.6912 10.6912 10.7360 10.7360 11.7347 11.7347 11.7523 11.7523 11.8329 11.8329 12.0187 12.0187 12.8935 12.8935 16.0810 16.0810 16.7842 16.7842 17.7045 17.7045 18.4587 18.4587 19.1185 19.1185 19.8784 19.8784 k = 0.0349 0.0201-0.0000 ( 3125 PWs) bands (ev): -4.9098 -4.9098 -4.5343 -4.5343 -4.4267 -4.4267 -4.3099 -4.3099 -2.3198 -2.3198 -2.2596 -2.2596 -1.8431 -1.8431 -1.7551 -1.7551 -1.5822 -1.5822 -1.5581 -1.5581 1.8754 1.8754 7.5483 7.5483 7.6931 7.6931 9.4918 9.4918 9.7260 9.7260 10.6291 10.6291 10.6842 10.6842 10.7360 10.7360 11.7398 11.7398 11.7584 11.7584 11.8295 11.8295 12.0237 12.0237 12.9001 12.9001 16.0158 16.0158 16.7863 16.7863 17.6541 17.6541 18.4262 18.4262 19.1476 19.1476 19.8540 19.8540 k = 0.0465 0.0269-0.0000 ( 3127 PWs) bands (ev): -4.9097 -4.9097 -4.5344 -4.5344 -4.4265 -4.4265 -4.3099 -4.3099 -2.3198 -2.3198 -2.2595 -2.2595 -1.8432 -1.8432 -1.7545 -1.7545 -1.5819 -1.5819 -1.5581 -1.5581 1.8846 1.8846 7.5455 7.5455 7.7029 7.7029 9.4880 9.4880 9.7216 9.7216 10.6215 10.6215 10.6746 10.6746 10.7357 10.7357 11.7467 11.7467 11.7665 11.7665 11.8254 11.8254 12.0308 12.0308 12.9091 12.9091 15.9320 15.9320 16.7779 16.7779 17.5956 17.5956 18.3854 18.3854 19.1666 19.1666 19.8576 19.8576 k = 0.0581 0.0336-0.0000 ( 3119 PWs) bands (ev): -4.9096 -4.9096 -4.5344 -4.5344 -4.4262 -4.4262 -4.3100 -4.3100 -2.3197 -2.3197 -2.2594 -2.2594 -1.8432 -1.8432 -1.7538 -1.7538 -1.5816 -1.5816 -1.5582 -1.5582 1.8964 1.8964 7.5420 7.5420 7.7154 7.7154 9.4817 9.4817 9.7176 9.7176 10.6123 10.6123 10.6625 10.6625 10.7350 10.7350 11.7548 11.7548 11.7757 11.7757 11.8216 11.8216 12.0402 12.0402 12.9204 12.9204 15.8336 15.8336 16.7528 16.7528 17.5362 17.5362 18.3390 18.3390 19.1657 19.1657 19.8954 19.8954 k = 0.0698 0.0403-0.0000 ( 3119 PWs) bands (ev): -4.9095 -4.9095 -4.5344 -4.5344 -4.4258 -4.4258 -4.3101 -4.3101 -2.3196 -2.3196 -2.2593 -2.2593 -1.8432 -1.8432 -1.7528 -1.7528 -1.5812 -1.5812 -1.5582 -1.5582 1.9107 1.9107 7.5377 7.5377 7.7306 7.7306 9.4720 9.4720 9.7150 9.7150 10.6018 10.6018 10.6482 10.6482 10.7335 10.7335 11.7635 11.7635 11.7835 11.7835 11.8209 11.8209 12.0519 12.0519 12.9337 12.9337 15.7233 15.7233 16.7069 16.7069 17.4802 17.4802 18.2891 18.2891 19.1441 19.1441 19.9645 19.9645 k = 0.0814 0.0470-0.0000 ( 3119 PWs) bands (ev): -4.9094 -4.9094 -4.5344 -4.5344 -4.4254 -4.4254 -4.3102 -4.3102 -2.3195 -2.3195 -2.2592 -2.2592 -1.8432 -1.8432 -1.7518 -1.7518 -1.5808 -1.5808 -1.5583 -1.5583 1.9276 1.9276 7.5328 7.5328 7.7483 7.7483 9.4582 9.4582 9.7146 9.7146 10.5901 10.5901 10.6319 10.6319 10.7314 10.7314 11.7715 11.7715 11.7866 11.7866 11.8278 11.8278 12.0661 12.0661 12.9487 12.9487 15.6033 15.6033 16.6398 16.6398 17.4285 17.4285 18.2367 18.2367 19.1079 19.1079 20.0562 20.0562 k = 0.0930 0.0537-0.0000 ( 3127 PWs) bands (ev): -4.9093 -4.9093 -4.5344 -4.5344 -4.4249 -4.4249 -4.3103 -4.3103 -2.3194 -2.3194 -2.2591 -2.2591 -1.8433 -1.8433 -1.7505 -1.7505 -1.5802 -1.5802 -1.5584 -1.5584 1.9470 1.9470 7.5272 7.5272 7.7685 7.7685 9.4397 9.4397 9.7172 9.7172 10.5773 10.5773 10.6140 10.6140 10.7284 10.7284 11.7738 11.7738 11.7895 11.7895 11.8422 11.8422 12.0829 12.0829 12.9651 12.9651 15.4753 15.4753 16.5540 16.5540 17.3787 17.3787 18.1817 18.1817 19.0654 19.0654 20.1595 20.1595 k = 0.1047 0.0604-0.0000 ( 3119 PWs) bands (ev): -4.9091 -4.9091 -4.5344 -4.5344 -4.4243 -4.4243 -4.3104 -4.3104 -2.3192 -2.3192 -2.2589 -2.2589 -1.8433 -1.8433 -1.7491 -1.7491 -1.5797 -1.5797 -1.5585 -1.5585 1.9689 1.9689 7.5209 7.5209 7.7912 7.7912 9.4163 9.4163 9.7232 9.7232 10.5631 10.5631 10.5953 10.5953 10.7247 10.7247 11.7684 11.7684 11.7972 11.7972 11.8610 11.8610 12.1027 12.1027 12.9828 12.9828 15.3407 15.3407 16.4535 16.4535 17.3274 17.3274 18.1226 18.1226 19.0245 19.0245 20.2507 20.2507 k = 0.1163 0.0671-0.0000 ( 3115 PWs) bands (ev): -4.9089 -4.9089 -4.5344 -4.5344 -4.4237 -4.4237 -4.3106 -4.3106 -2.3191 -2.3191 -2.2587 -2.2587 -1.8433 -1.8433 -1.7476 -1.7476 -1.5790 -1.5790 -1.5586 -1.5586 1.9931 1.9931 7.5142 7.5142 7.8161 7.8161 9.3882 9.3882 9.7325 9.7325 10.5469 10.5469 10.5766 10.5766 10.7203 10.7203 11.7603 11.7603 11.8060 11.8060 11.8821 11.8821 12.1255 12.1255 13.0012 13.0012 15.2009 15.2009 16.3423 16.3423 17.2716 17.2716 18.0568 18.0568 18.9917 18.9917 20.2743 20.2743 k = 0.1279 0.0738-0.0000 ( 3119 PWs) bands (ev): -4.9087 -4.9087 -4.5344 -4.5344 -4.4230 -4.4230 -4.3107 -4.3107 -2.3189 -2.3189 -2.2586 -2.2586 -1.8434 -1.8434 -1.7459 -1.7459 -1.5783 -1.5783 -1.5587 -1.5587 2.0198 2.0198 7.5069 7.5069 7.8432 7.8432 9.3557 9.3557 9.7450 9.7450 10.5280 10.5280 10.5592 10.5592 10.7153 10.7153 11.7515 11.7515 11.8148 11.8148 11.9046 11.9046 12.1516 12.1516 13.0202 13.0202 15.0571 15.0571 16.2239 16.2239 17.2099 17.2099 17.9819 17.9819 18.9714 18.9714 20.2707 20.2707 k = 0.1395 0.0806-0.0000 ( 3131 PWs) bands (ev): -4.9085 -4.9085 -4.5344 -4.5344 -4.4223 -4.4223 -4.3109 -4.3109 -2.3188 -2.3188 -2.2584 -2.2584 -1.8435 -1.8435 -1.7442 -1.7442 -1.5776 -1.5776 -1.5588 -1.5588 2.0487 2.0487 7.4992 7.4992 7.8723 7.8723 9.3195 9.3195 9.7604 9.7604 10.5062 10.5062 10.5436 10.5436 10.7097 10.7097 11.7425 11.7425 11.8230 11.8230 11.9278 11.9278 12.1809 12.1809 13.0395 13.0395 14.9105 14.9105 16.1005 16.1005 17.1418 17.1418 17.8966 17.8966 18.9658 18.9658 20.2699 20.2699 k = 0.1512 0.0873-0.0000 ( 3131 PWs) bands (ev): -4.9083 -4.9083 -4.5345 -4.5345 -4.4216 -4.4216 -4.3111 -4.3111 -2.3186 -2.3186 -2.2581 -2.2581 -1.8435 -1.8435 -1.7423 -1.7423 -1.5768 -1.5768 -1.5589 -1.5589 2.0798 2.0798 7.4910 7.4910 7.9031 7.9031 9.2800 9.2800 9.7783 9.7783 10.4820 10.4820 10.5295 10.5295 10.7037 10.7037 11.7337 11.7337 11.8306 11.8306 11.9512 11.9512 12.2136 12.2136 13.0586 13.0586 14.7621 14.7621 15.9741 15.9741 17.0676 17.0676 17.8009 17.8009 18.9743 18.9743 20.2749 20.2749 k = 0.1628 0.0940-0.0000 ( 3131 PWs) bands (ev): -4.9080 -4.9080 -4.5345 -4.5345 -4.4208 -4.4208 -4.3112 -4.3112 -2.3184 -2.3184 -2.2579 -2.2579 -1.8436 -1.8436 -1.7403 -1.7403 -1.5759 -1.5759 -1.5590 -1.5590 2.1132 2.1132 7.4825 7.4825 7.9355 7.9355 9.2378 9.2378 9.7984 9.7984 10.4564 10.4564 10.5165 10.5165 10.6973 10.6973 11.7254 11.7254 11.8374 11.8374 11.9745 11.9745 12.2495 12.2495 13.0773 13.0773 14.6133 14.6133 15.8458 15.8458 16.9881 16.9881 17.6962 17.6962 18.9950 18.9950 20.2854 20.2854 k = 0.1744 0.1007-0.0000 ( 3143 PWs) bands (ev): -4.9078 -4.9078 -4.5345 -4.5345 -4.4200 -4.4200 -4.3114 -4.3114 -2.3182 -2.3182 -2.2577 -2.2577 -1.8437 -1.8437 -1.7382 -1.7382 -1.5751 -1.5751 -1.5591 -1.5591 2.1485 2.1485 7.4738 7.4738 7.9691 7.9691 9.1935 9.1935 9.8203 9.8203 10.4299 10.4299 10.5044 10.5044 10.6908 10.6908 11.7177 11.7177 11.8433 11.8433 11.9975 11.9975 12.2884 12.2884 13.0952 13.0952 14.4652 14.4652 15.7165 15.7165 16.9040 16.9040 17.5844 17.5844 19.0253 19.0253 20.3006 20.3006 k = 0.1860 0.1074-0.0000 ( 3135 PWs) bands (ev): -4.9075 -4.9075 -4.5345 -4.5345 -4.4191 -4.4191 -4.3116 -4.3116 -2.3180 -2.3180 -2.2574 -2.2574 -1.8438 -1.8438 -1.7361 -1.7361 -1.5742 -1.5742 -1.5591 -1.5591 2.1859 2.1859 7.4648 7.4648 8.0035 8.0035 9.1476 9.1476 9.8438 9.8438 10.4031 10.4031 10.4930 10.4930 10.6843 10.6843 11.7107 11.7107 11.8484 11.8484 12.0201 12.0201 12.3300 12.3300 13.1116 13.1116 14.3190 14.3190 15.5870 15.5870 16.8160 16.8160 17.4672 17.4672 19.0625 19.0625 20.3196 20.3196 k = 0.1977 0.1141-0.0000 ( 3135 PWs) bands (ev): -4.9073 -4.9073 -4.5346 -4.5346 -4.4182 -4.4182 -4.3118 -4.3118 -2.3178 -2.3178 -2.2571 -2.2571 -1.8439 -1.8439 -1.7339 -1.7339 -1.5733 -1.5733 -1.5591 -1.5591 2.2251 2.2251 7.4556 7.4556 8.0384 8.0384 9.1008 9.1008 9.8684 9.8684 10.3763 10.3763 10.4823 10.4823 10.6779 10.6779 11.7044 11.7044 11.8526 11.8526 12.0421 12.0421 12.3740 12.3740 13.1258 13.1258 14.1764 14.1764 15.4576 15.4576 16.7249 16.7249 17.3464 17.3464 19.1040 19.1040 20.3413 20.3413 k = 0.2093 0.1208-0.0000 ( 3137 PWs) bands (ev): -4.9070 -4.9070 -4.5346 -4.5346 -4.4173 -4.4173 -4.3120 -4.3120 -2.3176 -2.3176 -2.2568 -2.2568 -1.8441 -1.8441 -1.7316 -1.7316 -1.5724 -1.5724 -1.5591 -1.5591 2.2660 2.2660 7.4463 7.4463 8.0731 8.0731 9.0537 9.0537 9.8937 9.8937 10.3500 10.3500 10.4725 10.4725 10.6718 10.6718 11.6990 11.6990 11.8559 11.8559 12.0635 12.0635 12.4200 12.4200 13.1368 13.1368 14.0391 14.0391 15.3288 15.3288 16.6311 16.6311 17.2234 17.2234 19.1478 19.1478 20.3650 20.3650 k = 0.2209 0.1276-0.0000 ( 3137 PWs) bands (ev): -4.9068 -4.9068 -4.5346 -4.5346 -4.4164 -4.4164 -4.3122 -4.3122 -2.3174 -2.3174 -2.2565 -2.2565 -1.8442 -1.8442 -1.7293 -1.7293 -1.5715 -1.5715 -1.5591 -1.5591 2.3085 2.3085 7.4369 7.4369 8.1068 8.1068 9.0072 9.0072 9.9193 9.9193 10.3246 10.3246 10.4636 10.4636 10.6660 10.6660 11.6944 11.6944 11.8583 11.8583 12.0844 12.0844 12.4673 12.4673 13.1429 13.1429 13.9096 13.9096 15.2008 15.2008 16.5351 16.5351 17.0991 17.0991 19.1922 19.1922 20.3899 20.3899 k = 0.2326 0.1343-0.0000 ( 3141 PWs) bands (ev): -4.9065 -4.9065 -4.5346 -4.5346 -4.4155 -4.4155 -4.3124 -4.3124 -2.3172 -2.3172 -2.2562 -2.2562 -1.8443 -1.8443 -1.7270 -1.7270 -1.5706 -1.5706 -1.5590 -1.5590 2.3525 2.3525 7.4275 7.4275 8.1387 8.1387 8.9624 8.9624 9.9444 9.9444 10.3006 10.3006 10.4558 10.4558 10.6608 10.6608 11.6906 11.6906 11.8597 11.8597 12.1047 12.1047 12.5152 12.5152 13.1417 13.1417 13.7914 13.7914 15.0740 15.0740 16.4375 16.4375 16.9746 16.9746 19.2357 19.2357 20.4152 20.4152 k = 0.2442 0.1410-0.0000 ( 3137 PWs) bands (ev): -4.9062 -4.9062 -4.5347 -4.5347 -4.4146 -4.4146 -4.3126 -4.3126 -2.3170 -2.3170 -2.2559 -2.2559 -1.8445 -1.8445 -1.7247 -1.7247 -1.5697 -1.5697 -1.5588 -1.5588 2.3978 2.3978 7.4181 7.4181 8.1674 8.1674 8.9206 8.9206 9.9681 9.9681 10.2789 10.2789 10.4494 10.4494 10.6562 10.6562 11.6877 11.6877 11.8602 11.8602 12.1244 12.1244 12.5628 12.5628 13.1295 13.1295 13.6893 13.6893 14.9486 14.9486 16.3388 16.3388 16.8504 16.8504 19.2775 19.2775 20.4404 20.4404 k = 0.2558 0.1477-0.0000 ( 3139 PWs) bands (ev): -4.9059 -4.9059 -4.5347 -4.5347 -4.4137 -4.4137 -4.3128 -4.3128 -2.3168 -2.3168 -2.2556 -2.2556 -1.8447 -1.8447 -1.7224 -1.7224 -1.5689 -1.5689 -1.5586 -1.5586 2.4442 2.4442 7.4089 7.4089 8.1914 8.1914 8.8834 8.8834 9.9891 9.9891 10.2605 10.2605 10.4447 10.4447 10.6524 10.6524 11.6856 11.6856 11.8597 11.8597 12.1437 12.1437 12.6083 12.6083 13.1029 13.1029 13.6088 13.6088 14.8247 14.8247 16.2393 16.2393 16.7270 16.7270 19.3166 19.3166 20.4650 20.4650 k = 0.2674 0.1544-0.0000 ( 3139 PWs) bands (ev): -4.9056 -4.9056 -4.5347 -4.5347 -4.4128 -4.4128 -4.3129 -4.3129 -2.3167 -2.3167 -2.2553 -2.2553 -1.8448 -1.8448 -1.7200 -1.7200 -1.5681 -1.5681 -1.5583 -1.5583 2.4916 2.4916 7.3997 7.3997 8.2086 8.2086 8.8527 8.8527 10.0058 10.0058 10.2465 10.2465 10.4420 10.4420 10.6495 10.6495 11.6842 11.6842 11.8582 11.8582 12.1624 12.1624 12.6486 12.6486 13.0614 13.0614 13.5536 13.5536 14.7027 14.7027 16.1394 16.1394 16.6050 16.6050 19.3527 19.3527 20.4887 20.4887 k = 0.2791 0.1611-0.0000 ( 3141 PWs) bands (ev): -4.9054 -4.9054 -4.5348 -4.5348 -4.4119 -4.4119 -4.3131 -4.3131 -2.3165 -2.3165 -2.2550 -2.2550 -1.8450 -1.8450 -1.7177 -1.7177 -1.5675 -1.5675 -1.5580 -1.5580 2.5397 2.5397 7.3908 7.3908 8.2172 8.2172 8.8306 8.8306 10.0163 10.0163 10.2383 10.2383 10.4418 10.4418 10.6476 10.6476 11.6834 11.6834 11.8558 11.8558 12.1806 12.1806 12.6772 12.6772 13.0135 13.0135 13.5221 13.5221 14.5825 14.5825 16.0398 16.0398 16.4847 16.4847 19.3853 19.3853 20.5114 20.5114 k = 0.2907 0.1678-0.0000 ( 3145 PWs) bands (ev): -4.9051 -4.9051 -4.5348 -4.5348 -4.4110 -4.4110 -4.3133 -4.3133 -2.3163 -2.3163 -2.2546 -2.2546 -1.8452 -1.8452 -1.7155 -1.7155 -1.5668 -1.5668 -1.5575 -1.5575 2.5882 2.5882 7.3820 7.3820 8.2155 8.2155 8.8187 8.8187 10.0196 10.0196 10.2363 10.2363 10.4448 10.4448 10.6468 10.6468 11.6832 11.6832 11.8525 11.8525 12.1982 12.1982 12.6815 12.6815 12.9773 12.9773 13.5091 13.5091 14.4645 14.4645 15.9408 15.9408 16.3662 16.3662 19.4143 19.4143 20.5330 20.5330 k = 0.3023 0.1745-0.0000 ( 3141 PWs) bands (ev): -4.9048 -4.9048 -4.5348 -4.5348 -4.4102 -4.4102 -4.3135 -4.3135 -2.3161 -2.3161 -2.2543 -2.2543 -1.8454 -1.8454 -1.7133 -1.7133 -1.5663 -1.5663 -1.5570 -1.5570 2.6370 2.6370 7.3736 7.3736 8.2032 8.2032 8.8174 8.8174 10.0159 10.0159 10.2394 10.2394 10.4514 10.4514 10.6474 10.6474 11.6833 11.6833 11.8483 11.8483 12.2151 12.2151 12.6505 12.6505 12.9699 12.9699 13.5088 13.5088 14.3488 14.3488 15.8429 15.8429 16.2499 16.2499 19.4398 19.4398 20.5535 20.5535 k = 0.3140 0.1813-0.0000 ( 3145 PWs) bands (ev): -4.9046 -4.9046 -4.5349 -4.5349 -4.4094 -4.4094 -4.3136 -4.3136 -2.3159 -2.3159 -2.2540 -2.2540 -1.8455 -1.8455 -1.7112 -1.7112 -1.5659 -1.5659 -1.5564 -1.5564 2.6858 2.6858 7.3654 7.3654 8.1808 8.1808 8.8261 8.8261 10.0068 10.0068 10.2457 10.2457 10.4619 10.4619 10.6495 10.6495 11.6835 11.6835 11.8434 11.8434 12.2311 12.2311 12.5912 12.5912 12.9890 12.9890 13.5173 13.5173 14.2355 14.2355 15.7466 15.7466 16.1360 16.1360 19.4618 19.4618 20.5729 20.5729 k = 0.3256 0.1880-0.0000 ( 3147 PWs) bands (ev): -4.9043 -4.9043 -4.5349 -4.5349 -4.4086 -4.4086 -4.3137 -4.3137 -2.3158 -2.3158 -2.2537 -2.2537 -1.8457 -1.8457 -1.7091 -1.7091 -1.5655 -1.5655 -1.5557 -1.5557 2.7343 2.7343 7.3575 7.3575 8.1502 8.1502 8.8430 8.8430 9.9942 9.9942 10.2529 10.2529 10.4762 10.4762 10.6534 10.6534 11.6836 11.6836 11.8377 11.8377 12.2454 12.2454 12.5199 12.5199 13.0214 13.0214 13.5322 13.5322 14.1249 14.1249 15.6525 15.6525 16.0247 16.0247 19.4806 19.4806 20.5914 20.5914 k = 0.3372 0.1947-0.0000 ( 3145 PWs) bands (ev): -4.9041 -4.9041 -4.5349 -4.5349 -4.4078 -4.4078 -4.3139 -4.3139 -2.3156 -2.3156 -2.2534 -2.2534 -1.8459 -1.8459 -1.7071 -1.7071 -1.5651 -1.5651 -1.5550 -1.5550 2.7822 2.7822 7.3501 7.3501 8.1134 8.1134 8.8660 8.8660 9.9795 9.9795 10.2596 10.2596 10.4936 10.4936 10.6597 10.6597 11.6830 11.6830 11.8313 11.8313 12.2560 12.2560 12.4488 12.4488 13.0585 13.0585 13.5524 13.5524 14.0173 14.0173 15.5612 15.5612 15.9161 15.9161 19.4964 19.4964 20.6090 20.6090 k = 0.3488 0.2014-0.0000 ( 3137 PWs) bands (ev): -4.9039 -4.9039 -4.5349 -4.5349 -4.4071 -4.4071 -4.3140 -4.3140 -2.3155 -2.3155 -2.2531 -2.2531 -1.8461 -1.8461 -1.7052 -1.7052 -1.5649 -1.5649 -1.5543 -1.5543 2.8291 2.8291 7.3430 7.3430 8.0726 8.0726 8.8933 8.8933 9.9639 9.9639 10.2651 10.2651 10.5125 10.5125 10.6691 10.6691 11.6813 11.6813 11.8246 11.8246 12.2569 12.2569 12.3896 12.3896 13.0958 13.0958 13.5774 13.5774 13.9128 13.9128 15.4730 15.4730 15.8103 15.8103 19.5095 19.5095 20.6257 20.6257 k = 0.3605 0.2081-0.0000 ( 3133 PWs) bands (ev): -4.9036 -4.9036 -4.5350 -4.5350 -4.4064 -4.4064 -4.3141 -4.3141 -2.3154 -2.3154 -2.2528 -2.2528 -1.8462 -1.8462 -1.7034 -1.7034 -1.5646 -1.5646 -1.5535 -1.5535 2.8747 2.8747 7.3363 7.3363 8.0295 8.0295 8.9229 8.9229 9.9482 9.9482 10.2694 10.2694 10.5313 10.5313 10.6825 10.6825 11.6777 11.6777 11.8174 11.8174 12.2346 12.2346 12.3587 12.3587 13.1310 13.1310 13.6066 13.6066 13.8120 13.8120 15.3887 15.3887 15.7077 15.7077 19.5203 19.5203 20.6414 20.6414 k = 0.3721 0.2148-0.0000 ( 3127 PWs) bands (ev): -4.9034 -4.9034 -4.5350 -4.5350 -4.4058 -4.4058 -4.3142 -4.3142 -2.3152 -2.3152 -2.2525 -2.2525 -1.8464 -1.8464 -1.7018 -1.7018 -1.5644 -1.5644 -1.5528 -1.5528 2.9187 2.9187 7.3301 7.3301 7.9855 7.9855 8.9537 8.9537 9.9328 9.9328 10.2726 10.2726 10.5479 10.5479 10.7008 10.7008 11.6716 11.6716 11.8099 11.8099 12.1909 12.1909 12.3567 12.3567 13.1628 13.1628 13.6371 13.6371 13.7180 13.7180 15.3088 15.3088 15.6082 15.6082 19.5290 19.5290 20.6561 20.6561 k = 0.3837 0.2215-0.0000 ( 3123 PWs) bands (ev): -4.9032 -4.9032 -4.5350 -4.5350 -4.4052 -4.4052 -4.3143 -4.3143 -2.3151 -2.3151 -2.2522 -2.2522 -1.8466 -1.8466 -1.7002 -1.7002 -1.5643 -1.5643 -1.5521 -1.5521 2.9607 2.9607 7.3244 7.3244 7.9420 7.9420 8.9845 8.9845 9.9180 9.9180 10.2750 10.2750 10.5613 10.5613 10.7241 10.7241 11.6622 11.6622 11.8018 11.8018 12.1440 12.1440 12.3672 12.3672 13.1903 13.1903 13.6100 13.6100 13.6896 13.6896 15.2338 15.2338 15.5122 15.5122 19.5359 19.5359 20.6696 20.6696 k = 0.3953 0.2283-0.0000 ( 3125 PWs) bands (ev): -4.9031 -4.9031 -4.5350 -4.5350 -4.4047 -4.4047 -4.3144 -4.3144 -2.3150 -2.3150 -2.2520 -2.2520 -1.8467 -1.8467 -1.6988 -1.6988 -1.5641 -1.5641 -1.5514 -1.5514 3.0002 3.0002 7.3191 7.3191 7.8997 7.8997 9.0145 9.0145 9.9043 9.9043 10.2768 10.2768 10.5713 10.5713 10.7520 10.7520 11.6488 11.6488 11.7929 11.7929 12.1029 12.1029 12.3825 12.3825 13.2134 13.2134 13.5241 13.5241 13.7278 13.7278 15.1643 15.1643 15.4200 15.4200 19.5414 19.5414 20.6817 20.6817 k = 0.4070 0.2350-0.0000 ( 3125 PWs) bands (ev): -4.9029 -4.9029 -4.5351 -4.5351 -4.4042 -4.4042 -4.3144 -4.3144 -2.3149 -2.3149 -2.2518 -2.2518 -1.8468 -1.8468 -1.6975 -1.6975 -1.5640 -1.5640 -1.5508 -1.5508 3.0369 3.0369 7.3144 7.3144 7.8597 7.8597 9.0429 9.0429 9.8916 9.8916 10.2783 10.2783 10.5782 10.5782 10.7830 10.7830 11.6313 11.6313 11.7831 11.7831 12.0709 12.0709 12.4001 12.4001 13.2320 13.2320 13.4397 13.4397 13.7724 13.7724 15.1008 15.1008 15.3319 15.3319 19.5456 19.5456 20.6921 20.6921 k = 0.4186 0.2417-0.0000 ( 3136 PWs) bands (ev): -4.9028 -4.9028 -4.5351 -4.5351 -4.4038 -4.4038 -4.3145 -4.3145 -2.3149 -2.3149 -2.2516 -2.2516 -1.8470 -1.8470 -1.6964 -1.6964 -1.5639 -1.5639 -1.5502 -1.5502 3.0705 3.0705 7.3102 7.3102 7.8227 7.8227 9.0692 9.0692 9.8802 9.8802 10.2794 10.2794 10.5827 10.5827 10.8160 10.8160 11.6098 11.6098 11.7726 11.7726 12.0483 12.0483 12.4194 12.4194 13.2454 13.2454 13.3610 13.3610 13.8192 13.8192 15.0438 15.0438 15.2484 15.2484 19.5488 19.5488 20.7000 20.7000 k = 0.4302 0.2484-0.0000 ( 3142 PWs) bands (ev): -4.9026 -4.9026 -4.5351 -4.5351 -4.4034 -4.4034 -4.3145 -4.3145 -2.3148 -2.3148 -2.2514 -2.2514 -1.8471 -1.8471 -1.6954 -1.6954 -1.5638 -1.5638 -1.5497 -1.5497 3.1004 3.1004 7.3065 7.3065 7.7892 7.7892 9.0929 9.0929 9.8702 9.8702 10.2803 10.2803 10.5855 10.5855 10.8495 10.8495 11.5852 11.5852 11.7620 11.7620 12.0343 12.0343 12.4398 12.4398 13.2462 13.2462 13.2969 13.2969 13.8666 13.8666 14.9938 14.9938 15.1703 15.1703 19.5512 19.5512 20.7043 20.7043 k = 0.4419 0.2551-0.0000 ( 3148 PWs) bands (ev): -4.9025 -4.9025 -4.5351 -4.5351 -4.4031 -4.4031 -4.3146 -4.3146 -2.3147 -2.3147 -2.2513 -2.2513 -1.8472 -1.8472 -1.6945 -1.6945 -1.5637 -1.5637 -1.5493 -1.5493 3.1265 3.1265 7.3033 7.3033 7.7599 7.7599 9.1136 9.1136 9.8615 9.8615 10.2811 10.2811 10.5870 10.5870 10.8823 10.8823 11.5590 11.5590 11.7520 11.7520 12.0268 12.0268 12.4610 12.4610 13.2027 13.2027 13.2806 13.2806 13.9130 13.9130 14.9513 14.9513 15.0985 15.0985 19.5530 19.5530 20.7034 20.7034 k = 0.4535 0.2618-0.0000 ( 3146 PWs) bands (ev): -4.9024 -4.9024 -4.5351 -4.5351 -4.4029 -4.4029 -4.3146 -4.3146 -2.3147 -2.3147 -2.2512 -2.2512 -1.8473 -1.8473 -1.6938 -1.6938 -1.5637 -1.5637 -1.5489 -1.5489 3.1483 3.1483 7.3007 7.3007 7.7352 7.7352 9.1310 9.1310 9.8544 9.8544 10.2818 10.2818 10.5876 10.5876 10.9128 10.9128 11.5330 11.5330 11.7432 11.7432 12.0238 12.0238 12.4822 12.4822 13.1450 13.1450 13.2839 13.2839 13.9563 13.9563 14.9168 14.9168 15.0342 15.0342 19.5542 19.5542 20.6975 20.6975 k = 0.4651 0.2685-0.0000 ( 3150 PWs) bands (ev): -4.9024 -4.9024 -4.5352 -4.5352 -4.4027 -4.4027 -4.3146 -4.3146 -2.3146 -2.3146 -2.2511 -2.2511 -1.8473 -1.8473 -1.6932 -1.6932 -1.5636 -1.5636 -1.5486 -1.5486 3.1656 3.1656 7.2987 7.2987 7.7155 7.7155 9.1448 9.1448 9.8488 9.8488 10.2823 10.2823 10.5877 10.5877 10.9396 10.9396 11.5093 11.5093 11.7361 11.7361 12.0234 12.0234 12.5022 12.5022 13.0940 13.0940 13.2879 13.2879 13.9944 13.9944 14.8908 14.8908 14.9791 14.9791 19.5551 19.5551 20.6894 20.6894 k = 0.4767 0.2752-0.0000 ( 3148 PWs) bands (ev): -4.9023 -4.9023 -4.5352 -4.5352 -4.4025 -4.4025 -4.3147 -4.3147 -2.3146 -2.3146 -2.2510 -2.2510 -1.8474 -1.8474 -1.6928 -1.6928 -1.5636 -1.5636 -1.5484 -1.5484 3.1781 3.1781 7.2973 7.2973 7.7013 7.7013 9.1548 9.1548 9.8448 9.8448 10.2826 10.2826 10.5876 10.5876 10.9608 10.9608 11.4901 11.4901 11.7308 11.7308 12.0242 12.0242 12.5192 12.5192 13.0541 13.0541 13.2908 13.2908 14.0246 14.0246 14.8737 14.8737 14.9354 14.9354 19.5556 19.5556 20.6821 20.6821 k = 0.4884 0.2820-0.0000 ( 3152 PWs) bands (ev): -4.9023 -4.9023 -4.5352 -4.5352 -4.4024 -4.4024 -4.3147 -4.3147 -2.3146 -2.3146 -2.2510 -2.2510 -1.8474 -1.8474 -1.6926 -1.6926 -1.5636 -1.5636 -1.5483 -1.5483 3.1857 3.1857 7.2964 7.2964 7.6926 7.6926 9.1608 9.1608 9.8424 9.8424 10.2828 10.2828 10.5874 10.5874 10.9745 10.9745 11.4775 11.4775 11.7277 11.7277 12.0250 12.0250 12.5310 12.5310 13.0284 13.0284 13.2926 13.2926 14.0441 14.0441 14.8657 14.8657 14.9055 14.9055 19.5559 19.5559 20.6773 20.6773 k = 0.5000 0.2887-0.0000 ( 3152 PWs) bands (ev): -4.9023 -4.9023 -4.5352 -4.5352 -4.4024 -4.4024 -4.3147 -4.3147 -2.3146 -2.3146 -2.2509 -2.2509 -1.8474 -1.8474 -1.6925 -1.6925 -1.5636 -1.5636 -1.5482 -1.5482 3.1882 3.1882 7.2961 7.2961 7.6897 7.6897 9.1628 9.1628 9.8416 9.8416 10.2829 10.2829 10.5873 10.5873 10.9793 10.9793 11.4731 11.4731 11.7266 11.7266 12.0254 12.0254 12.5352 12.5352 13.0195 13.0195 13.2932 13.2932 14.0509 14.0509 14.8643 14.8643 14.8940 14.8940 19.5560 19.5560 20.6757 20.6757 k = 0.5000 0.2887-0.0000 ( 3152 PWs) bands (ev): -4.9023 -4.9023 -4.5352 -4.5352 -4.4024 -4.4024 -4.3147 -4.3147 -2.3146 -2.3146 -2.2509 -2.2509 -1.8474 -1.8474 -1.6925 -1.6925 -1.5636 -1.5636 -1.5482 -1.5482 3.1882 3.1882 7.2961 7.2961 7.6897 7.6897 9.1628 9.1628 9.8416 9.8416 10.2829 10.2829 10.5873 10.5873 10.9793 10.9793 11.4731 11.4731 11.7266 11.7266 12.0254 12.0254 12.5352 12.5352 13.0195 13.0195 13.2932 13.2932 14.0509 14.0509 14.8643 14.8643 14.8940 14.8940 19.5560 19.5560 20.6757 20.6757 k = 0.4933 0.3002-0.0000 ( 3148 PWs) bands (ev): -4.9023 -4.9023 -4.5352 -4.5352 -4.4024 -4.4024 -4.3147 -4.3147 -2.3146 -2.3146 -2.2509 -2.2509 -1.8474 -1.8474 -1.6925 -1.6925 -1.5636 -1.5636 -1.5482 -1.5482 3.1888 3.1888 7.2960 7.2960 7.6920 7.6920 9.1626 9.1626 9.8423 9.8423 10.2827 10.2827 10.5865 10.5865 10.9773 10.9773 11.4729 11.4729 11.7256 11.7256 12.0246 12.0246 12.5336 12.5336 13.0090 13.0090 13.2938 13.2938 14.0515 14.0515 14.8541 14.8541 14.9222 14.9222 19.5590 19.5590 20.5743 20.5743 k = 0.4867 0.3118-0.0000 ( 3148 PWs) bands (ev): -4.9023 -4.9023 -4.5352 -4.5352 -4.4024 -4.4024 -4.3147 -4.3147 -2.3146 -2.3146 -2.2509 -2.2509 -1.8474 -1.8474 -1.6923 -1.6923 -1.5636 -1.5636 -1.5483 -1.5483 3.1904 3.1904 7.2955 7.2955 7.6989 7.6989 9.1618 9.1618 9.8442 9.8442 10.2820 10.2820 10.5841 10.5841 10.9714 10.9714 11.4725 11.4725 11.7225 11.7225 12.0223 12.0223 12.5290 12.5290 12.9788 12.9788 13.2960 13.2960 14.0528 14.0528 14.8507 14.8507 14.9787 14.9787 19.5672 19.5672 20.4180 20.4180 k = 0.4800 0.3233-0.0000 ( 3150 PWs) bands (ev): -4.9023 -4.9023 -4.5351 -4.5351 -4.4023 -4.4023 -4.3147 -4.3147 -2.3145 -2.3145 -2.2509 -2.2509 -1.8474 -1.8474 -1.6921 -1.6921 -1.5636 -1.5636 -1.5483 -1.5483 3.1932 3.1932 7.2947 7.2947 7.7102 7.7102 9.1604 9.1604 9.8475 9.8475 10.2808 10.2808 10.5800 10.5800 10.9612 10.9612 11.4717 11.4717 11.7175 11.7175 12.0184 12.0184 12.5215 12.5215 12.9319 12.9319 13.3003 13.3003 14.0544 14.0544 14.8606 14.8606 15.0536 15.0536 19.5787 19.5787 20.2536 20.2536 k = 0.4733 0.3349-0.0000 ( 3142 PWs) bands (ev): -4.9022 -4.9022 -4.5351 -4.5351 -4.4023 -4.4023 -4.3147 -4.3147 -2.3145 -2.3145 -2.2509 -2.2509 -1.8474 -1.8474 -1.6918 -1.6918 -1.5637 -1.5637 -1.5484 -1.5484 3.1971 3.1971 7.2936 7.2936 7.7262 7.7262 9.1585 9.1585 9.8520 9.8520 10.2790 10.2790 10.5745 10.5745 10.9461 10.9461 11.4706 11.4706 11.7106 11.7106 12.0131 12.0131 12.5113 12.5113 12.8730 12.8730 13.3070 13.3070 14.0558 14.0558 14.8826 14.8826 15.1439 15.1439 19.5875 19.5875 20.0943 20.0943 k = 0.4667 0.3464-0.0000 ( 3146 PWs) bands (ev): -4.9022 -4.9022 -4.5351 -4.5351 -4.4022 -4.4022 -4.3147 -4.3147 -2.3145 -2.3145 -2.2509 -2.2509 -1.8474 -1.8474 -1.6914 -1.6914 -1.5637 -1.5637 -1.5485 -1.5485 3.2020 3.2020 7.2922 7.2922 7.7466 7.7466 9.1561 9.1561 9.8578 9.8578 10.2766 10.2766 10.5674 10.5674 10.9255 10.9255 11.4691 11.4691 11.7018 11.7018 12.0064 12.0064 12.4988 12.4988 12.8072 12.8072 13.3160 13.3160 14.0565 14.0565 14.9152 14.9152 15.2463 15.2463 19.5779 19.5779 19.9560 19.9560 k = 0.4600 0.3580-0.0000 ( 3138 PWs) bands (ev): -4.9022 -4.9022 -4.5351 -4.5351 -4.4021 -4.4021 -4.3147 -4.3147 -2.3144 -2.3144 -2.2509 -2.2509 -1.8475 -1.8475 -1.6909 -1.6909 -1.5638 -1.5638 -1.5486 -1.5486 3.2079 3.2079 7.2906 7.2906 7.7715 7.7715 9.1531 9.1531 9.8648 9.8648 10.2732 10.2732 10.5589 10.5589 10.8987 10.8987 11.4674 11.4674 11.6913 11.6913 11.9987 11.9987 12.4843 12.4843 12.7394 12.7394 13.3270 13.3270 14.0566 14.0566 14.9571 14.9571 15.3577 15.3577 19.5191 19.5191 19.8619 19.8619 k = 0.4533 0.3695-0.0000 ( 3142 PWs) bands (ev): -4.9021 -4.9021 -4.5350 -4.5350 -4.4020 -4.4020 -4.3147 -4.3147 -2.3144 -2.3144 -2.2508 -2.2508 -1.8475 -1.8475 -1.6904 -1.6904 -1.5639 -1.5639 -1.5487 -1.5487 3.2147 3.2147 7.2888 7.2888 7.8009 7.8009 9.1496 9.1496 9.8729 9.8729 10.2687 10.2687 10.5489 10.5489 10.8650 10.8650 11.4653 11.4653 11.6795 11.6795 11.9901 11.9901 12.4681 12.4681 12.6734 12.6734 13.3398 13.3398 14.0560 14.0560 15.0072 15.0072 15.4752 15.4752 19.4006 19.4006 19.7898 19.7898 k = 0.4467 0.3811-0.0000 ( 3138 PWs) bands (ev): -4.9021 -4.9021 -4.5350 -4.5350 -4.4019 -4.4019 -4.3148 -4.3148 -2.3143 -2.3143 -2.2508 -2.2508 -1.8475 -1.8475 -1.6897 -1.6897 -1.5639 -1.5639 -1.5488 -1.5488 3.2224 3.2224 7.2867 7.2867 7.8347 7.8347 9.1456 9.1456 9.8820 9.8820 10.2626 10.2626 10.5376 10.5376 10.8241 10.8241 11.4628 11.4628 11.6664 11.6664 11.9813 11.9813 12.4504 12.4504 12.6123 12.6123 13.3539 13.3539 14.0548 14.0548 15.0647 15.0647 15.5961 15.5961 19.2502 19.2502 19.6699 19.6699 k = 0.4400 0.3926-0.0000 ( 3142 PWs) bands (ev): -4.9020 -4.9020 -4.5350 -4.5350 -4.4017 -4.4017 -4.3148 -4.3148 -2.3143 -2.3143 -2.2508 -2.2508 -1.8475 -1.8475 -1.6891 -1.6891 -1.5640 -1.5640 -1.5490 -1.5490 3.2309 3.2309 7.2845 7.2845 7.8729 7.8729 9.1410 9.1410 9.8922 9.8922 10.2544 10.2544 10.5246 10.5246 10.7763 10.7763 11.4601 11.4601 11.6525 11.6525 11.9728 11.9728 12.4313 12.4313 12.5581 12.5581 13.3692 13.3692 14.0533 14.0533 15.1289 15.1289 15.7186 15.7186 19.0883 19.0883 19.5121 19.5121 k = 0.4333 0.4041-0.0000 ( 3138 PWs) bands (ev): -4.9019 -4.9019 -4.5349 -4.5349 -4.4016 -4.4016 -4.3148 -4.3148 -2.3142 -2.3142 -2.2507 -2.2507 -1.8476 -1.8476 -1.6884 -1.6884 -1.5641 -1.5641 -1.5491 -1.5491 3.2401 3.2401 7.2821 7.2821 7.9154 7.9154 9.1360 9.1360 9.9033 9.9033 10.2430 10.2430 10.5095 10.5095 10.7230 10.7230 11.4572 11.4572 11.6381 11.6381 11.9654 11.9654 12.4110 12.4110 12.5119 12.5119 13.3854 13.3854 14.0514 14.0514 15.1990 15.1990 15.8408 15.8408 18.9228 18.9228 19.3432 19.3432 k = 0.4267 0.4157-0.0000 ( 3132 PWs) bands (ev): -4.9019 -4.9019 -4.5349 -4.5349 -4.4015 -4.4015 -4.3148 -4.3148 -2.3141 -2.3141 -2.2507 -2.2507 -1.8476 -1.8476 -1.6876 -1.6876 -1.5642 -1.5642 -1.5493 -1.5493 3.2499 3.2499 7.2796 7.2796 7.9621 7.9621 9.1304 9.1304 9.9151 9.9151 10.2268 10.2268 10.4912 10.4912 10.6674 10.6674 11.4540 11.4540 11.6236 11.6236 11.9597 11.9597 12.3900 12.3900 12.4735 12.4735 13.4021 13.4021 14.0495 14.0495 15.2746 15.2746 15.9615 15.9615 18.7570 18.7570 19.1725 19.1725 k = 0.4200 0.4272-0.0000 ( 3132 PWs) bands (ev): -4.9018 -4.9018 -4.5349 -4.5349 -4.4013 -4.4013 -4.3148 -4.3148 -2.3141 -2.3141 -2.2506 -2.2506 -1.8476 -1.8476 -1.6868 -1.6868 -1.5643 -1.5643 -1.5494 -1.5494 3.2602 3.2602 7.2771 7.2771 8.0130 8.0130 9.1243 9.1243 9.9275 9.9275 10.2035 10.2035 10.4681 10.4681 10.6148 10.6148 11.4507 11.4507 11.6093 11.6093 11.9562 11.9562 12.3688 12.3688 12.4419 12.4419 13.4192 13.4192 14.0474 14.0474 15.3551 15.3551 16.0796 16.0796 18.5923 18.5923 19.0033 19.0033 k = 0.4133 0.4388-0.0000 ( 3140 PWs) bands (ev): -4.9017 -4.9017 -4.5348 -4.5348 -4.4012 -4.4012 -4.3149 -4.3149 -2.3140 -2.3140 -2.2506 -2.2506 -1.8476 -1.8476 -1.6861 -1.6861 -1.5644 -1.5644 -1.5496 -1.5496 3.2709 3.2709 7.2745 7.2745 8.0679 8.0679 9.1177 9.1177 9.9403 9.9403 10.1697 10.1697 10.4384 10.4384 10.5715 10.5715 11.4473 11.4473 11.5955 11.5955 11.9553 11.9553 12.3486 12.3486 12.4155 12.4155 13.4365 13.4365 14.0455 14.0455 15.4399 15.4399 16.1943 16.1943 18.4298 18.4298 18.8372 18.8372 k = 0.4067 0.4503-0.0000 ( 3144 PWs) bands (ev): -4.9017 -4.9017 -4.5348 -4.5348 -4.4010 -4.4010 -4.3149 -4.3149 -2.3139 -2.3139 -2.2505 -2.2505 -1.8477 -1.8477 -1.6853 -1.6853 -1.5644 -1.5644 -1.5498 -1.5498 3.2817 3.2817 7.2719 7.2719 8.1269 8.1269 9.1106 9.1106 9.9525 9.9525 10.1222 10.1222 10.4046 10.4046 10.5407 10.5407 11.4439 11.4439 11.5824 11.5824 11.9571 11.9571 12.3300 12.3300 12.3927 12.3927 13.4536 13.4536 14.0436 14.0436 15.5288 15.5288 16.3052 16.3052 18.2698 18.2698 18.6752 18.6752 k = 0.4000 0.4619-0.0000 ( 3144 PWs) bands (ev): -4.9016 -4.9016 -4.5347 -4.5347 -4.4009 -4.4009 -4.3149 -4.3149 -2.3139 -2.3139 -2.2505 -2.2505 -1.8477 -1.8477 -1.6845 -1.6845 -1.5645 -1.5645 -1.5499 -1.5499 3.2927 3.2927 7.2694 7.2694 8.1896 8.1896 9.1030 9.1030 9.9614 9.9614 10.0626 10.0626 10.3721 10.3721 10.5197 10.5198 11.4403 11.4403 11.5702 11.5702 11.9616 11.9616 12.3135 12.3135 12.3722 12.3722 13.4704 13.4704 14.0420 14.0420 15.6212 15.6212 16.4119 16.4119 18.1130 18.1130 18.5180 18.5180 k = 0.3933 0.4734-0.0000 ( 3144 PWs) bands (ev): -4.9015 -4.9015 -4.5347 -4.5347 -4.4007 -4.4007 -4.3149 -4.3149 -2.3138 -2.3138 -2.2504 -2.2504 -1.8478 -1.8478 -1.6837 -1.6837 -1.5646 -1.5646 -1.5501 -1.5501 3.3035 3.3035 7.2670 7.2670 8.2560 8.2560 9.0949 9.0949 9.9451 9.9451 10.0146 10.0146 10.3443 10.3443 10.5052 10.5052 11.4367 11.4367 11.5590 11.5590 11.9686 11.9686 12.2990 12.2990 12.3534 12.3534 13.4865 13.4865 14.0406 14.0406 15.7168 15.7168 16.5141 16.5141 17.9597 17.9597 18.3662 18.3662 k = 0.3867 0.4850-0.0000 ( 3138 PWs) bands (ev): -4.9015 -4.9015 -4.5347 -4.5347 -4.4006 -4.4006 -4.3150 -4.3150 -2.3137 -2.3137 -2.2504 -2.2504 -1.8478 -1.8478 -1.6830 -1.6830 -1.5646 -1.5646 -1.5502 -1.5502 3.3141 3.3141 7.2647 7.2647 8.3259 8.3259 9.0861 9.0861 9.8729 9.8729 10.0129 10.0129 10.3208 10.3208 10.4945 10.4945 11.4329 11.4329 11.5491 11.5491 11.9778 11.9778 12.2864 12.2864 12.3358 12.3358 13.5019 13.5019 14.0396 14.0396 15.8153 15.8153 16.6118 16.6118 17.8103 17.8103 18.2204 18.2204 k = 0.3800 0.4965-0.0000 ( 3143 PWs) bands (ev): -4.9014 -4.9014 -4.5346 -4.5346 -4.4005 -4.4005 -4.3150 -4.3150 -2.3137 -2.3137 -2.2503 -2.2503 -1.8478 -1.8478 -1.6824 -1.6824 -1.5647 -1.5647 -1.5503 -1.5503 3.3243 3.3243 7.2625 7.2625 8.3988 8.3988 9.0768 9.0768 9.7821 9.7821 10.0244 10.0244 10.3004 10.3004 10.4867 10.4867 11.4291 11.4291 11.5404 11.5404 11.9888 11.9888 12.2755 12.2755 12.3192 12.3192 13.5161 13.5161 14.0388 14.0388 15.9161 15.9161 16.7047 16.7047 17.6656 17.6656 18.0811 18.0811 k = 0.3733 0.5081-0.0000 ( 3139 PWs) bands (ev): -4.9014 -4.9014 -4.5346 -4.5346 -4.4003 -4.4003 -4.3150 -4.3150 -2.3136 -2.3136 -2.2503 -2.2503 -1.8479 -1.8479 -1.6818 -1.6818 -1.5647 -1.5647 -1.5504 -1.5504 3.3338 3.3338 7.2606 7.2606 8.4745 8.4745 9.0669 9.0669 9.6868 9.6868 10.0380 10.0380 10.2822 10.2822 10.4809 10.4809 11.4254 11.4254 11.5331 11.5331 12.0012 12.0012 12.2660 12.2660 12.3035 12.3035 13.5291 13.5291 14.0383 14.0383 16.0189 16.0189 16.7923 16.7923 17.5266 17.5266 17.9489 17.9489 k = 0.3667 0.5196-0.0000 ( 3141 PWs) bands (ev): -4.9013 -4.9013 -4.5346 -4.5346 -4.4002 -4.4002 -4.3150 -4.3150 -2.3136 -2.3136 -2.2503 -2.2503 -1.8479 -1.8479 -1.6812 -1.6812 -1.5647 -1.5647 -1.5505 -1.5505 3.3424 3.3424 7.2589 7.2589 8.5522 8.5522 9.0563 9.0563 9.5914 9.5914 10.0519 10.0519 10.2655 10.2655 10.4766 10.4766 11.4217 11.4217 11.5271 11.5271 12.0145 12.0145 12.2577 12.2577 12.2889 12.2889 13.5405 13.5405 14.0382 14.0382 16.1231 16.1231 16.8731 16.8731 17.3957 17.3957 17.8243 17.8243 k = 0.3600 0.5312-0.0000 ( 3145 PWs) bands (ev): -4.9013 -4.9013 -4.5346 -4.5346 -4.4001 -4.4001 -4.3150 -4.3150 -2.3135 -2.3135 -2.2502 -2.2502 -1.8479 -1.8479 -1.6808 -1.6808 -1.5647 -1.5647 -1.5506 -1.5506 3.3500 3.3500 7.2574 7.2574 8.6306 8.6306 9.0450 9.0450 9.4991 9.4991 10.0651 10.0651 10.2505 10.2505 10.4736 10.4736 11.4182 11.4182 11.5225 11.5225 12.0280 12.0280 12.2504 12.2504 12.2757 12.2757 13.5502 13.5502 14.0383 14.0383 16.2279 16.2279 16.9412 16.9412 17.2795 17.2795 17.7080 17.7080 k = 0.3533 0.5427-0.0000 ( 3137 PWs) bands (ev): -4.9012 -4.9012 -4.5346 -4.5346 -4.4001 -4.4001 -4.3150 -4.3150 -2.3135 -2.3135 -2.2502 -2.2502 -1.8479 -1.8479 -1.6804 -1.6804 -1.5647 -1.5647 -1.5506 -1.5506 3.3563 3.3563 7.2562 7.2562 8.7077 8.7077 9.0331 9.0331 9.4133 9.4133 10.0770 10.0770 10.2375 10.2375 10.4717 10.4717 11.4152 11.4152 11.5191 11.5191 12.0408 12.0408 12.2441 12.2441 12.2642 12.2642 13.5580 13.5580 14.0386 14.0386 16.3318 16.3318 16.9735 16.9735 17.2028 17.2028 17.6006 17.6006 k = 0.3467 0.5543-0.0000 ( 3129 PWs) bands (ev): -4.9012 -4.9012 -4.5346 -4.5346 -4.4000 -4.4000 -4.3150 -4.3150 -2.3135 -2.3135 -2.2502 -2.2502 -1.8479 -1.8479 -1.6801 -1.6801 -1.5647 -1.5647 -1.5506 -1.5506 3.3610 3.3610 7.2554 7.2554 8.7787 8.7787 9.0213 9.0213 9.3386 9.3386 10.0866 10.0866 10.2271 10.2271 10.4704 10.4704 11.4127 11.4127 11.5168 11.5168 12.0517 12.0517 12.2392 12.2392 12.2549 12.2549 13.5637 13.5637 14.0390 14.0390 16.4317 16.4317 16.9330 16.9330 17.2058 17.2058 17.5034 17.5034 k = 0.3400 0.5658-0.0000 ( 3123 PWs) bands (ev): -4.9012 -4.9012 -4.5345 -4.5345 -4.3999 -4.3999 -4.3150 -4.3150 -2.3135 -2.3135 -2.2501 -2.2501 -1.8479 -1.8479 -1.6799 -1.6799 -1.5647 -1.5647 -1.5506 -1.5506 3.3640 3.3640 7.2548 7.2548 8.8330 8.8330 9.0126 9.0126 9.2836 9.2836 10.0929 10.0929 10.2203 10.2203 10.4698 10.4698 11.4111 11.4111 11.5155 11.5155 12.0592 12.0592 12.2368 12.2368 12.2479 12.2479 13.5672 13.5672 14.0394 14.0394 16.5178 16.5178 16.8594 16.8594 17.2560 17.2560 17.4190 17.4190 k = 0.3333 0.5774-0.0000 ( 3111 PWs) bands (ev): -4.9012 -4.9012 -4.5345 -4.5345 -4.3999 -4.3999 -4.3150 -4.3150 -2.3135 -2.3135 -2.2501 -2.2501 -1.8479 -1.8479 -1.6799 -1.6799 -1.5647 -1.5647 -1.5507 -1.5507 3.3651 3.3651 7.2547 7.2547 8.8537 8.8537 9.0104 9.0104 9.2618 9.2618 10.0950 10.0950 10.2180 10.2180 10.4696 10.4696 11.4106 11.4106 11.5151 11.5151 12.0619 12.0619 12.2370 12.2370 12.2444 12.2444 13.5683 13.5683 14.0396 14.0396 16.5581 16.5581 16.8208 16.8208 17.2963 17.2963 17.3696 17.3696 k = 0.3333 0.5774-0.0000 ( 3111 PWs) bands (ev): -4.9012 -4.9012 -4.5345 -4.5345 -4.3999 -4.3999 -4.3150 -4.3150 -2.3135 -2.3135 -2.2501 -2.2501 -1.8479 -1.8479 -1.6799 -1.6799 -1.5647 -1.5647 -1.5507 -1.5507 3.3651 3.3651 7.2547 7.2547 8.8537 8.8537 9.0104 9.0104 9.2618 9.2618 10.0950 10.0950 10.2180 10.2180 10.4696 10.4696 11.4106 11.4106 11.5151 11.5151 12.0619 12.0619 12.2370 12.2370 12.2444 12.2444 13.5683 13.5683 14.0396 14.0396 16.5581 16.5581 16.8208 16.8208 17.2963 17.2963 17.3696 17.3696 k = 0.3267 0.5658-0.0000 ( 3119 PWs) bands (ev): -4.9012 -4.9012 -4.5345 -4.5345 -4.4000 -4.4000 -4.3150 -4.3150 -2.3135 -2.3135 -2.2501 -2.2501 -1.8479 -1.8479 -1.6800 -1.6800 -1.5647 -1.5647 -1.5506 -1.5506 3.3640 3.3640 7.2548 7.2548 8.8362 8.8362 9.0081 9.0081 9.2849 9.2849 10.0930 10.0930 10.2202 10.2202 10.4698 10.4698 11.4112 11.4112 11.5155 11.5155 12.0591 12.0591 12.2351 12.2351 12.2497 12.2497 13.5672 13.5672 14.0393 14.0393 16.5191 16.5191 16.8586 16.8586 17.2602 17.2602 17.4145 17.4145 k = 0.3200 0.5543-0.0000 ( 3127 PWs) bands (ev): -4.9012 -4.9012 -4.5346 -4.5346 -4.4000 -4.4000 -4.3150 -4.3150 -2.3135 -2.3135 -2.2502 -2.2502 -1.8479 -1.8479 -1.6801 -1.6801 -1.5647 -1.5647 -1.5506 -1.5506 3.3605 3.3605 7.2554 7.2554 8.7953 8.7953 8.9983 8.9983 9.3453 9.3453 10.0877 10.0877 10.2260 10.2260 10.4703 10.4703 11.4132 11.4132 11.5165 11.5165 12.0512 12.0512 12.2318 12.2318 12.2626 12.2626 13.5636 13.5636 14.0384 14.0384 16.4390 16.4390 16.9312 16.9312 17.2212 17.2212 17.4843 17.4843 k = 0.3133 0.5427-0.0000 ( 3129 PWs) bands (ev): -4.9012 -4.9012 -4.5346 -4.5346 -4.4001 -4.4001 -4.3150 -4.3150 -2.3135 -2.3135 -2.2502 -2.2502 -1.8479 -1.8479 -1.6804 -1.6804 -1.5647 -1.5647 -1.5506 -1.5506 3.3544 3.3544 7.2564 7.2564 8.7447 8.7447 8.9840 8.9840 9.4266 9.4266 10.0802 10.0802 10.2342 10.2342 10.4711 10.4711 11.4168 11.4168 11.5182 11.5182 12.0392 12.0392 12.2288 12.2288 12.2807 12.2807 13.5578 13.5578 14.0364 14.0364 16.3501 16.3501 16.9898 16.9898 17.2177 17.2177 17.5576 17.5576 k = 0.3067 0.5312-0.0000 ( 3137 PWs) bands (ev): -4.9013 -4.9013 -4.5346 -4.5346 -4.4002 -4.4002 -4.3150 -4.3150 -2.3135 -2.3135 -2.2502 -2.2502 -1.8479 -1.8479 -1.6809 -1.6809 -1.5648 -1.5648 -1.5506 -1.5506 3.3456 3.3456 7.2578 7.2578 8.6917 8.6917 8.9678 8.9678 9.5181 9.5181 10.0718 10.0718 10.2436 10.2436 10.4724 10.4724 11.4221 11.4221 11.5204 11.5204 12.0244 12.0244 12.2260 12.2260 12.3026 12.3026 13.5498 13.5498 14.0331 14.0331 16.2623 16.2623 17.0062 17.0062 17.2707 17.2707 17.6323 17.6323 k = 0.3000 0.5196-0.0000 ( 3133 PWs) bands (ev): -4.9013 -4.9013 -4.5346 -4.5346 -4.4003 -4.4003 -4.3150 -4.3150 -2.3136 -2.3136 -2.2503 -2.2503 -1.8478 -1.8478 -1.6814 -1.6814 -1.5648 -1.5648 -1.5506 -1.5506 3.3339 3.3339 7.2596 7.2596 8.6402 8.6402 8.9508 8.9508 9.6145 9.6145 10.0632 10.0632 10.2535 10.2535 10.4743 10.4743 11.4294 11.4294 11.5232 11.5232 12.0079 12.0079 12.2235 12.2235 12.3278 12.3278 13.5397 13.5397 14.0279 14.0279 16.1792 16.1792 16.9961 16.9961 17.3617 17.3617 17.7082 17.7082 k = 0.2933 0.5081-0.0000 ( 3129 PWs) bands (ev): -4.9014 -4.9014 -4.5346 -4.5346 -4.4005 -4.4005 -4.3150 -4.3150 -2.3136 -2.3136 -2.2504 -2.2504 -1.8478 -1.8478 -1.6821 -1.6821 -1.5648 -1.5648 -1.5507 -1.5507 3.3193 3.3193 7.2618 7.2618 8.5924 8.5924 8.9330 8.9330 9.7127 9.7127 10.0549 10.0549 10.2632 10.2632 10.4770 10.4770 11.4387 11.4387 11.5267 11.5267 11.9907 11.9907 12.2211 12.2211 12.3557 12.3557 13.5278 13.5278 14.0204 14.0204 16.1026 16.1026 16.9815 16.9815 17.4671 17.4671 17.7851 17.7851 k = 0.2867 0.4965-0.0000 ( 3121 PWs) bands (ev): -4.9015 -4.9015 -4.5346 -4.5346 -4.4007 -4.4007 -4.3149 -4.3149 -2.3137 -2.3137 -2.2505 -2.2505 -1.8477 -1.8477 -1.6829 -1.6829 -1.5648 -1.5648 -1.5507 -1.5507 3.3016 3.3016 7.2645 7.2645 8.5494 8.5494 8.9144 8.9144 9.8102 9.8102 10.0475 10.0475 10.2724 10.2724 10.4809 10.4809 11.4505 11.4505 11.5312 11.5312 11.9735 11.9735 12.2188 12.2188 12.3861 12.3861 13.5142 13.5142 14.0102 14.0102 16.0339 16.0339 16.9704 16.9704 17.5780 17.5780 17.8633 17.8633 k = 0.2800 0.4850-0.0000 ( 3121 PWs) bands (ev): -4.9016 -4.9016 -4.5346 -4.5346 -4.4009 -4.4009 -4.3149 -4.3149 -2.3138 -2.3138 -2.2506 -2.2506 -1.8477 -1.8477 -1.6838 -1.6838 -1.5648 -1.5648 -1.5508 -1.5508 3.2808 3.2808 7.2676 7.2676 8.5121 8.5121 8.8949 8.8949 9.9050 9.9050 10.0410 10.0410 10.2806 10.2806 10.4864 10.4864 11.4649 11.4649 11.5371 11.5371 11.9569 11.9569 12.2165 12.2165 12.4190 12.4190 13.4990 13.4990 13.9966 13.9966 15.9740 15.9740 16.9650 16.9650 17.6907 17.6907 17.9432 17.9432 k = 0.2733 0.4734-0.0000 ( 3119 PWs) bands (ev): -4.9017 -4.9017 -4.5346 -4.5346 -4.4012 -4.4012 -4.3149 -4.3149 -2.3139 -2.3139 -2.2507 -2.2507 -1.8476 -1.8476 -1.6849 -1.6849 -1.5648 -1.5648 -1.5509 -1.5509 3.2569 3.2569 7.2712 7.2712 8.4806 8.4806 8.8744 8.8744 9.9946 9.9946 10.0359 10.0359 10.2878 10.2878 10.4942 10.4942 11.4820 11.4820 11.5455 11.5455 11.9414 11.9414 12.2141 12.2141 12.4544 12.4544 13.4825 13.4825 13.9794 13.9794 15.9238 15.9238 16.9662 16.9662 17.8032 17.8032 18.0251 18.0251 k = 0.2667 0.4619-0.0000 ( 3127 PWs) bands (ev): -4.9018 -4.9018 -4.5347 -4.5347 -4.4015 -4.4015 -4.3149 -4.3149 -2.3140 -2.3140 -2.2508 -2.2508 -1.8475 -1.8475 -1.6860 -1.6860 -1.5649 -1.5649 -1.5511 -1.5511 3.2300 3.2300 7.2752 7.2752 8.4554 8.4554 8.8527 8.8527 10.0316 10.0316 10.0768 10.0768 10.2937 10.2937 10.5049 10.5049 11.5007 11.5007 11.5585 11.5585 11.9276 11.9276 12.2117 12.2117 12.4924 12.4924 13.4647 13.4647 13.9582 13.9582 15.8838 15.8838 16.9739 16.9739 17.9138 17.9138 18.1098 18.1098 k = 0.2600 0.4503-0.0000 ( 3123 PWs) bands (ev): -4.9020 -4.9020 -4.5347 -4.5347 -4.4019 -4.4019 -4.3148 -4.3148 -2.3141 -2.3141 -2.2510 -2.2510 -1.8474 -1.8474 -1.6873 -1.6873 -1.5649 -1.5649 -1.5513 -1.5513 3.2002 3.2002 7.2796 7.2796 8.4364 8.4364 8.8299 8.8299 10.0293 10.0293 10.1482 10.1482 10.2984 10.2984 10.5190 10.5190 11.5183 11.5183 11.5806 11.5806 11.9159 11.9159 12.2092 12.2092 12.5332 12.5332 13.4457 13.4457 13.9330 13.9330 15.8545 15.8545 16.9880 16.9880 18.0208 18.0208 18.1982 18.1982 k = 0.2533 0.4388-0.0000 ( 3127 PWs) bands (ev): -4.9021 -4.9021 -4.5347 -4.5347 -4.4023 -4.4023 -4.3148 -4.3148 -2.3142 -2.3142 -2.2512 -2.2512 -1.8473 -1.8473 -1.6887 -1.6887 -1.5650 -1.5650 -1.5516 -1.5516 3.1675 3.1675 7.2844 7.2844 8.4237 8.4237 8.8057 8.8057 10.0283 10.0283 10.2068 10.2068 10.3021 10.3021 10.5366 10.5366 11.5325 11.5325 11.6154 11.6154 11.9069 11.9069 12.2065 12.2065 12.5771 12.5771 13.4256 13.4256 13.9038 13.9038 15.8363 15.8363 17.0079 17.0079 18.1225 18.1225 18.2914 18.2914 k = 0.2467 0.4272-0.0000 ( 3123 PWs) bands (ev): -4.9023 -4.9023 -4.5347 -4.5347 -4.4027 -4.4027 -4.3147 -4.3147 -2.3143 -2.3143 -2.2514 -2.2514 -1.8471 -1.8471 -1.6902 -1.6902 -1.5650 -1.5650 -1.5519 -1.5519 3.1321 3.1321 7.2897 7.2897 8.4170 8.4170 8.7802 8.7802 10.0290 10.0290 10.2502 10.2502 10.3063 10.3063 10.5564 10.5564 11.5439 11.5439 11.6632 11.6632 11.9014 11.9014 12.2036 12.2036 12.6242 12.6242 13.4042 13.4042 13.8711 13.8711 15.8291 15.8291 17.0334 17.0334 18.2176 18.2176 18.3897 18.3897 k = 0.2400 0.4157-0.0000 ( 3123 PWs) bands (ev): -4.9025 -4.9025 -4.5347 -4.5347 -4.4032 -4.4032 -4.3146 -4.3146 -2.3144 -2.3144 -2.2516 -2.2516 -1.8470 -1.8470 -1.6919 -1.6919 -1.5651 -1.5651 -1.5523 -1.5523 3.0943 3.0943 7.2954 7.2954 8.4163 8.4163 8.7532 8.7532 10.0312 10.0312 10.2752 10.2752 10.3154 10.3154 10.5764 10.5764 11.5540 11.5540 11.7215 11.7215 11.9016 11.9016 12.2004 12.2004 12.6747 12.6747 13.3813 13.3813 13.8356 13.8356 15.8327 15.8327 17.0638 17.0638 18.3058 18.3059 18.4926 18.4926 k = 0.2333 0.4041-0.0000 ( 3121 PWs) bands (ev): -4.9026 -4.9026 -4.5347 -4.5347 -4.4038 -4.4038 -4.3146 -4.3146 -2.3145 -2.3145 -2.2518 -2.2518 -1.8469 -1.8469 -1.6936 -1.6936 -1.5651 -1.5651 -1.5527 -1.5527 3.0541 3.0541 7.3014 7.3014 8.4213 8.4213 8.7248 8.7248 10.0350 10.0350 10.2820 10.2820 10.3314 10.3314 10.5941 10.5941 11.5634 11.5634 11.7822 11.7822 11.9148 11.9148 12.1972 12.1972 12.7288 12.7288 13.3568 13.3568 13.7982 13.7982 15.8470 15.8470 17.0988 17.0988 18.3874 18.3874 18.5986 18.5986 k = 0.2267 0.3926-0.0000 ( 3125 PWs) bands (ev): -4.9028 -4.9028 -4.5347 -4.5347 -4.4043 -4.4043 -4.3145 -4.3145 -2.3147 -2.3147 -2.2520 -2.2520 -1.8467 -1.8467 -1.6954 -1.6954 -1.5652 -1.5652 -1.5531 -1.5531 3.0119 3.0119 7.3079 7.3079 8.4316 8.4316 8.6949 8.6949 10.0405 10.0405 10.2797 10.2797 10.3474 10.3474 10.6077 10.6077 11.5724 11.5724 11.8252 11.8252 11.9596 11.9596 12.1939 12.1939 12.7865 12.7865 13.3304 13.3304 13.7602 13.7602 15.8712 15.8712 17.1378 17.1378 18.4625 18.4625 18.7061 18.7061 k = 0.2200 0.3811-0.0000 ( 3133 PWs) bands (ev): -4.9031 -4.9031 -4.5347 -4.5347 -4.4049 -4.4049 -4.3144 -4.3144 -2.3148 -2.3148 -2.2523 -2.2523 -1.8465 -1.8465 -1.6973 -1.6973 -1.5653 -1.5653 -1.5536 -1.5536 2.9679 2.9679 7.3147 7.3147 8.4471 8.4471 8.6636 8.6636 10.0476 10.0476 10.2731 10.2731 10.3609 10.3609 10.6166 10.6166 11.5812 11.5812 11.8428 11.8428 12.0413 12.0413 12.1915 12.1915 12.8478 12.8478 13.3020 13.3020 13.7229 13.7229 15.9051 15.9051 17.1804 17.1804 18.5307 18.5307 18.8137 18.8137 k = 0.2133 0.3695-0.0000 ( 3133 PWs) bands (ev): -4.9033 -4.9033 -4.5348 -4.5348 -4.4056 -4.4056 -4.3143 -4.3143 -2.3150 -2.3150 -2.2526 -2.2526 -1.8464 -1.8464 -1.6993 -1.6993 -1.5654 -1.5654 -1.5542 -1.5542 2.9224 2.9224 7.3219 7.3219 8.4672 8.4672 8.6311 8.6311 10.0562 10.0562 10.2634 10.2634 10.3719 10.3719 10.6215 10.6215 11.5896 11.5896 11.8495 11.8495 12.1347 12.1347 12.1980 12.1980 12.9120 12.9120 13.2722 13.2722 13.6878 13.6878 15.9478 15.9478 17.2260 17.2260 18.5912 18.5912 18.9205 18.9205 k = 0.2067 0.3580-0.0000 ( 3141 PWs) bands (ev): -4.9035 -4.9035 -4.5348 -4.5348 -4.4063 -4.4063 -4.3142 -4.3142 -2.3151 -2.3151 -2.2528 -2.2528 -1.8462 -1.8462 -1.7014 -1.7014 -1.5655 -1.5655 -1.5547 -1.5547 2.8755 2.8755 7.3294 7.3294 8.4913 8.4913 8.5976 8.5976 10.0663 10.0663 10.2508 10.2508 10.3814 10.3814 10.6231 10.6231 11.5976 11.5976 11.8530 11.8530 12.1678 12.1678 12.2751 12.2751 12.9770 12.9770 13.2427 13.2427 13.6568 13.6568 15.9989 15.9989 17.2742 17.2742 18.6424 18.6424 19.0256 19.0256 k = 0.2000 0.3464-0.0000 ( 3139 PWs) bands (ev): -4.9038 -4.9038 -4.5347 -4.5347 -4.4070 -4.4070 -4.3140 -4.3140 -2.3153 -2.3153 -2.2531 -2.2531 -1.8460 -1.8460 -1.7035 -1.7035 -1.5657 -1.5657 -1.5553 -1.5553 2.8276 2.8276 7.3372 7.3372 8.5170 8.5170 8.5652 8.5652 10.0776 10.0776 10.2356 10.2356 10.3898 10.3898 10.6229 10.6229 11.6053 11.6053 11.8555 11.8555 12.1662 12.1662 12.3918 12.3918 13.0363 13.0363 13.2208 13.2208 13.6316 13.6316 16.0577 16.0577 17.3246 17.3246 18.6826 18.6826 19.1286 19.1286 k = 0.1933 0.3349-0.0000 ( 3135 PWs) bands (ev): -4.9040 -4.9040 -4.5347 -4.5347 -4.4078 -4.4078 -4.3139 -4.3139 -2.3155 -2.3155 -2.2534 -2.2534 -1.8458 -1.8458 -1.7057 -1.7057 -1.5659 -1.5659 -1.5559 -1.5559 2.7790 2.7790 7.3454 7.3454 8.5166 8.5166 8.5614 8.5614 10.0899 10.0899 10.2182 10.2182 10.3976 10.3976 10.6217 10.6217 11.6126 11.6126 11.8575 11.8575 12.1608 12.1608 12.5122 12.5122 13.0696 13.0696 13.2271 13.2271 13.6147 13.6147 16.1237 16.1237 17.3766 17.3766 18.7101 18.7101 19.2289 19.2289 k = 0.1867 0.3233-0.0000 ( 3131 PWs) bands (ev): -4.9043 -4.9043 -4.5347 -4.5347 -4.4086 -4.4086 -4.3138 -4.3138 -2.3157 -2.3157 -2.2537 -2.2537 -1.8457 -1.8457 -1.7080 -1.7080 -1.5662 -1.5662 -1.5564 -1.5564 2.7299 2.7299 7.3538 7.3538 8.4825 8.4825 8.5936 8.5936 10.1021 10.1021 10.1995 10.1995 10.4053 10.4053 10.6204 10.6204 11.6196 11.6196 11.8593 11.8593 12.1542 12.1542 12.6273 12.6273 13.0642 13.0642 13.2762 13.2762 13.6099 13.6099 16.1963 16.1963 17.4298 17.4298 18.7240 18.7240 19.3262 19.3262 k = 0.1800 0.3118-0.0000 ( 3139 PWs) bands (ev): -4.9045 -4.9045 -4.5347 -4.5347 -4.4094 -4.4094 -4.3136 -4.3136 -2.3158 -2.3158 -2.2541 -2.2541 -1.8455 -1.8455 -1.7103 -1.7103 -1.5665 -1.5665 -1.5570 -1.5570 2.6805 2.6805 7.3625 7.3625 8.4445 8.4445 8.6318 8.6318 10.1116 10.1116 10.1826 10.1826 10.4129 10.4129 10.6197 10.6197 11.6263 11.6263 11.8608 11.8608 12.1467 12.1467 12.7250 12.7250 13.0478 13.0478 13.3445 13.3445 13.6241 13.6241 16.2750 16.2750 17.4836 17.4836 18.7239 18.7239 19.4202 19.4202 k = 0.1733 0.3002-0.0000 ( 3139 PWs) bands (ev): -4.9048 -4.9048 -4.5347 -4.5347 -4.4102 -4.4102 -4.3135 -4.3135 -2.3160 -2.3160 -2.2544 -2.2544 -1.8453 -1.8453 -1.7127 -1.7127 -1.5669 -1.5669 -1.5575 -1.5575 2.6311 2.6311 7.3714 7.3714 8.4050 8.4050 8.6732 8.6732 10.1111 10.1111 10.1750 10.1750 10.4207 10.4207 10.6198 10.6198 11.6328 11.6328 11.8620 11.8620 12.1383 12.1383 12.7836 12.7836 13.0509 13.0509 13.4131 13.4131 13.6668 13.6668 16.3593 16.3593 17.5374 17.5374 18.7107 18.7107 19.5107 19.5107 k = 0.1667 0.2887-0.0000 ( 3137 PWs) bands (ev): -4.9051 -4.9051 -4.5347 -4.5347 -4.4111 -4.4111 -4.3133 -4.3133 -2.3162 -2.3162 -2.2547 -2.2547 -1.8451 -1.8451 -1.7150 -1.7150 -1.5674 -1.5674 -1.5579 -1.5579 2.5820 2.5820 7.3805 7.3805 8.3648 8.3648 8.7169 8.7169 10.0955 10.0955 10.1822 10.1822 10.4289 10.4289 10.6210 10.6210 11.6392 11.6392 11.8629 11.8629 12.1291 12.1291 12.7884 12.7884 13.0854 13.0854 13.4781 13.4781 13.7440 13.7440 16.4488 16.4488 17.5905 17.5905 18.6865 18.6865 19.5971 19.5971 k = 0.1600 0.2771-0.0000 ( 3137 PWs) bands (ev): -4.9054 -4.9054 -4.5347 -4.5347 -4.4120 -4.4120 -4.3131 -4.3131 -2.3164 -2.3164 -2.2550 -2.2550 -1.8450 -1.8450 -1.7174 -1.7174 -1.5679 -1.5679 -1.5583 -1.5583 2.5333 2.5333 7.3898 7.3898 8.3240 8.3240 8.7626 8.7626 10.0712 10.0712 10.1981 10.1982 10.4374 10.4374 10.6234 10.6234 11.6455 11.6455 11.8634 11.8634 12.1192 12.1192 12.7577 12.7577 13.1281 13.1281 13.5486 13.5486 13.8512 13.8512 16.5430 16.5430 17.6420 17.6420 18.6537 18.6537 19.6789 19.6789 k = 0.1533 0.2656-0.0000 ( 3141 PWs) bands (ev): -4.9057 -4.9057 -4.5347 -4.5347 -4.4129 -4.4129 -4.3129 -4.3129 -2.3166 -2.3166 -2.2553 -2.2553 -1.8448 -1.8448 -1.7199 -1.7199 -1.5686 -1.5686 -1.5586 -1.5586 2.4852 2.4852 7.3992 7.3992 8.2829 8.2829 8.8098 8.8098 10.0434 10.0434 10.2179 10.2179 10.4462 10.4462 10.6268 10.6268 11.6519 11.6519 11.8633 11.8633 12.1084 12.1084 12.7119 12.7119 13.1584 13.1584 13.6331 13.6331 13.9798 13.9798 16.6414 16.6414 17.6908 17.6908 18.6157 18.6157 19.7555 19.7555 k = 0.1467 0.2540-0.0000 ( 3137 PWs) bands (ev): -4.9059 -4.9059 -4.5346 -4.5346 -4.4138 -4.4138 -4.3128 -4.3128 -2.3168 -2.3168 -2.2557 -2.2557 -1.8446 -1.8446 -1.7223 -1.7223 -1.5693 -1.5693 -1.5588 -1.5588 2.4380 2.4380 7.4087 7.4087 8.2418 8.2418 8.8582 8.8582 10.0143 10.0143 10.2398 10.2398 10.4555 10.4555 10.6313 10.6313 11.6584 11.6584 11.8627 11.8627 12.0967 12.0967 12.6598 12.6598 13.1731 13.1731 13.7315 13.7315 14.1238 14.1238 16.7435 16.7435 17.7354 17.7354 18.5760 18.5760 19.8262 19.8262 k = 0.1400 0.2425-0.0000 ( 3133 PWs) bands (ev): -4.9062 -4.9062 -4.5346 -4.5346 -4.4147 -4.4147 -4.3126 -4.3126 -2.3170 -2.3170 -2.2560 -2.2560 -1.8445 -1.8445 -1.7247 -1.7247 -1.5701 -1.5701 -1.5590 -1.5590 2.3918 2.3918 7.4182 7.4182 8.2007 8.2007 8.9073 8.9073 9.9846 9.9846 10.2631 10.2631 10.4650 10.4650 10.6367 10.6367 11.6651 11.6651 11.8615 11.8615 12.0841 12.0841 12.6054 12.6054 13.1760 13.1760 13.8401 13.8401 14.2790 14.2790 16.8487 16.8487 17.7738 17.7738 18.5384 18.5384 19.8904 19.8904 k = 0.1333 0.2309-0.0000 ( 3133 PWs) bands (ev): -4.9065 -4.9065 -4.5346 -4.5346 -4.4156 -4.4156 -4.3124 -4.3124 -2.3172 -2.3172 -2.2563 -2.2563 -1.8443 -1.8443 -1.7271 -1.7271 -1.5709 -1.5709 -1.5591 -1.5591 2.3468 2.3468 7.4278 7.4278 8.1600 8.1600 8.9568 8.9568 9.9551 9.9551 10.2876 10.2876 10.4749 10.4749 10.6429 10.6429 11.6720 11.6720 11.8596 11.8596 12.0706 12.0706 12.5504 12.5504 13.1710 13.1710 13.9553 13.9553 14.4427 14.4427 16.9566 16.9566 17.8035 17.8035 18.5071 18.5071 19.9474 19.9474 k = 0.1267 0.2194-0.0000 ( 3131 PWs) bands (ev): -4.9068 -4.9068 -4.5346 -4.5346 -4.4165 -4.4165 -4.3122 -4.3122 -2.3174 -2.3174 -2.2566 -2.2566 -1.8442 -1.8442 -1.7294 -1.7294 -1.5717 -1.5717 -1.5592 -1.5592 2.3032 2.3032 7.4374 7.4374 8.1199 8.1199 9.0064 9.0064 9.9260 9.9260 10.3128 10.3128 10.4851 10.4851 10.6498 10.6498 11.6793 11.6793 11.8571 11.8571 12.0562 12.0562 12.4961 12.4961 13.1610 13.1610 14.0752 14.0752 14.6127 14.6127 17.0663 17.0663 17.8216 17.8216 18.4864 18.4864 19.9972 19.9972 k = 0.1200 0.2078-0.0000 ( 3131 PWs) bands (ev): -4.9071 -4.9071 -4.5346 -4.5346 -4.4174 -4.4174 -4.3120 -4.3120 -2.3176 -2.3176 -2.2569 -2.2569 -1.8441 -1.8441 -1.7318 -1.7318 -1.5726 -1.5726 -1.5592 -1.5592 2.2610 2.2610 7.4469 7.4469 8.0805 8.0805 9.0556 9.0556 9.8977 9.8977 10.3387 10.3387 10.4956 10.4956 10.6572 10.6572 11.6870 11.6870 11.8538 11.8538 12.0407 12.0407 12.4430 12.4430 13.1477 13.1477 14.1985 14.1985 14.7874 14.7874 17.1773 17.1773 17.8260 17.8260 18.4798 18.4798 20.0397 20.0397 k = 0.1133 0.1963-0.0000 ( 3127 PWs) bands (ev): -4.9073 -4.9073 -4.5345 -4.5345 -4.4183 -4.4183 -4.3118 -4.3118 -2.3178 -2.3178 -2.2571 -2.2571 -1.8439 -1.8439 -1.7341 -1.7341 -1.5735 -1.5735 -1.5592 -1.5592 2.2205 2.2205 7.4562 7.4562 8.0421 8.0421 9.1041 9.1041 9.8706 9.8706 10.3650 10.3650 10.5063 10.5063 10.6651 10.6651 11.6951 11.6951 11.8499 11.8499 12.0241 12.0241 12.3921 12.3921 13.1321 13.1321 14.3245 14.3245 14.9653 14.9653 17.2886 17.2886 17.8161 17.8161 18.4892 18.4892 20.0755 20.0755 k = 0.1067 0.1848-0.0000 ( 3131 PWs) bands (ev): -4.9076 -4.9076 -4.5345 -4.5345 -4.4192 -4.4192 -4.3116 -4.3116 -2.3180 -2.3180 -2.2574 -2.2574 -1.8438 -1.8438 -1.7363 -1.7363 -1.5743 -1.5743 -1.5591 -1.5591 2.1817 2.1817 7.4655 7.4655 8.0048 8.0048 9.1516 9.1516 9.8448 9.8448 10.3915 10.3915 10.5172 10.5172 10.6731 10.6731 11.7035 11.7035 11.8453 11.8453 12.0064 12.0064 12.3436 12.3436 13.1149 13.1149 14.4526 14.4526 15.1453 15.1453 17.3993 17.3993 17.7935 17.7935 18.5141 18.5141 20.1055 20.1055 k = 0.1000 0.1732-0.0000 ( 3127 PWs) bands (ev): -4.9078 -4.9078 -4.5345 -4.5345 -4.4200 -4.4200 -4.3114 -4.3114 -2.3182 -2.3182 -2.2577 -2.2577 -1.8437 -1.8437 -1.7384 -1.7384 -1.5752 -1.5752 -1.5591 -1.5591 2.1448 2.1448 7.4745 7.4745 7.9688 7.9688 9.1976 9.1976 9.8206 9.8206 10.4179 10.4179 10.5284 10.5284 10.6812 10.6812 11.7124 11.7124 11.8399 11.8399 11.9876 11.9876 12.2981 12.2981 13.0966 13.0966 14.5826 14.5826 15.3260 15.3260 17.5081 17.5081 17.7614 17.7614 18.5526 18.5526 20.1308 20.1308 k = 0.0933 0.1617-0.0000 ( 3121 PWs) bands (ev): -4.9081 -4.9081 -4.5345 -4.5345 -4.4209 -4.4209 -4.3112 -4.3112 -2.3184 -2.3184 -2.2579 -2.2579 -1.8436 -1.8436 -1.7405 -1.7405 -1.5761 -1.5761 -1.5590 -1.5590 2.1099 2.1099 7.4832 7.4832 7.9343 7.9343 9.2417 9.2417 9.7982 9.7982 10.4440 10.4440 10.5399 10.5399 10.6893 10.6893 11.7216 11.7216 11.8339 11.8339 11.9677 11.9677 12.2560 12.2560 13.0776 13.0776 14.7139 14.7139 15.5064 15.5064 17.6126 17.6126 17.7246 17.7246 18.6022 18.6022 20.1528 20.1528 k = 0.0867 0.1501-0.0000 ( 3121 PWs) bands (ev): -4.9083 -4.9083 -4.5345 -4.5345 -4.4216 -4.4216 -4.3110 -4.3110 -2.3186 -2.3186 -2.2582 -2.2582 -1.8435 -1.8435 -1.7424 -1.7424 -1.5769 -1.5769 -1.5589 -1.5589 2.0770 2.0770 7.4917 7.4917 7.9015 7.9015 9.2835 9.2835 9.7779 9.7779 10.4694 10.4694 10.5518 10.5518 10.6970 10.6970 11.7312 11.7312 11.8271 11.8271 11.9468 11.9468 12.2176 12.2176 13.0582 13.0582 14.8461 14.8461 15.6851 15.6851 17.6702 17.6702 17.7278 17.7278 18.6607 18.6607 20.1732 20.1732 k = 0.0800 0.1386-0.0000 ( 3121 PWs) bands (ev): -4.9085 -4.9085 -4.5344 -4.5344 -4.4224 -4.4224 -4.3109 -4.3109 -2.3188 -2.3188 -2.2584 -2.2584 -1.8435 -1.8435 -1.7443 -1.7443 -1.5776 -1.5776 -1.5588 -1.5588 2.0462 2.0462 7.4998 7.4998 7.8705 7.8705 9.3225 9.3225 9.7599 9.7599 10.4939 10.4939 10.5642 10.5642 10.7044 10.7044 11.7409 11.7409 11.8197 11.8197 11.9252 11.9252 12.1831 12.1831 13.0386 13.0386 14.9785 14.9785 15.8606 15.8606 17.6337 17.6337 17.8199 17.8199 18.7262 18.7262 20.1934 20.1934 k = 0.0733 0.1270-0.0000 ( 3119 PWs) bands (ev): -4.9087 -4.9087 -4.5344 -4.5344 -4.4231 -4.4231 -4.3107 -4.3107 -2.3189 -2.3189 -2.2586 -2.2586 -1.8434 -1.8434 -1.7461 -1.7461 -1.5784 -1.5784 -1.5587 -1.5587 2.0176 2.0176 7.5074 7.5074 7.8415 7.8415 9.3583 9.3583 9.7446 9.7446 10.5171 10.5171 10.5771 10.5771 10.7112 10.7112 11.7505 11.7505 11.8118 11.8118 11.9033 11.9033 12.1524 12.1524 13.0192 13.0192 15.1106 15.1106 16.0310 16.0310 17.5938 17.5938 17.9117 17.9117 18.7969 18.7969 20.2145 20.2145 k = 0.0667 0.1155-0.0000 ( 3115 PWs) bands (ev): -4.9089 -4.9089 -4.5344 -4.5344 -4.4237 -4.4237 -4.3106 -4.3106 -2.3191 -2.3191 -2.2588 -2.2588 -1.8433 -1.8433 -1.7477 -1.7477 -1.5791 -1.5791 -1.5586 -1.5586 1.9914 1.9914 7.5146 7.5146 7.8146 7.8146 9.3902 9.3902 9.7321 9.7321 10.5384 10.5384 10.5908 10.5908 10.7173 10.7173 11.7599 11.7599 11.8034 11.8034 11.8816 11.8816 12.1256 12.1256 13.0002 13.0002 15.2415 15.2415 16.1937 16.1937 17.5576 17.5576 17.9979 17.9979 18.8706 18.8706 20.2353 20.2353 k = 0.0600 0.1039-0.0000 ( 3123 PWs) bands (ev): -4.9091 -4.9091 -4.5344 -4.5344 -4.4244 -4.4244 -4.3104 -4.3104 -2.3192 -2.3192 -2.2589 -2.2589 -1.8433 -1.8433 -1.7492 -1.7492 -1.5797 -1.5797 -1.5585 -1.5585 1.9674 1.9674 7.5213 7.5213 7.7898 7.7898 9.4179 9.4179 9.7229 9.7229 10.5575 10.5575 10.6053 10.6053 10.7226 10.7226 11.7684 11.7684 11.7949 11.7949 11.8608 11.8608 12.1023 12.1023 12.9818 12.9818 15.3703 15.3703 16.3455 16.3455 17.5283 17.5283 18.0779 18.0779 18.9446 18.9446 20.2392 20.2392 k = 0.0533 0.0924-0.0000 ( 3123 PWs) bands (ev): -4.9093 -4.9093 -4.5344 -4.5344 -4.4249 -4.4249 -4.3103 -4.3103 -2.3194 -2.3194 -2.2591 -2.2591 -1.8433 -1.8433 -1.7506 -1.7506 -1.5803 -1.5803 -1.5584 -1.5584 1.9459 1.9459 7.5275 7.5275 7.7674 7.7674 9.4408 9.4408 9.7171 9.7171 10.5742 10.5742 10.6204 10.6204 10.7270 10.7270 11.7738 11.7738 11.7878 11.7878 11.8423 11.8423 12.0824 12.0824 12.9643 12.9643 15.4959 15.4959 16.4818 16.4818 17.5094 17.5094 18.1516 18.1516 19.0156 19.0156 20.1726 20.1726 k = 0.0467 0.0808-0.0000 ( 3119 PWs) bands (ev): -4.9094 -4.9094 -4.5344 -4.5344 -4.4254 -4.4254 -4.3102 -4.3102 -2.3195 -2.3195 -2.2592 -2.2592 -1.8432 -1.8432 -1.7518 -1.7518 -1.5808 -1.5808 -1.5583 -1.5583 1.9267 1.9267 7.5330 7.5330 7.7474 7.7474 9.4590 9.4590 9.7146 9.7146 10.5888 10.5888 10.6356 10.6356 10.7305 10.7305 11.7709 11.7709 11.7859 11.7859 11.8279 11.8279 12.0655 12.0655 12.9480 12.9480 15.6171 15.6171 16.5971 16.5971 17.5051 17.5051 18.2192 18.2192 19.0789 19.0789 20.0693 20.0693 k = 0.0400 0.0693-0.0000 ( 3123 PWs) bands (ev): -4.9095 -4.9095 -4.5344 -4.5344 -4.4258 -4.4258 -4.3101 -4.3101 -2.3196 -2.3196 -2.2593 -2.2593 -1.8432 -1.8432 -1.7529 -1.7529 -1.5812 -1.5812 -1.5582 -1.5582 1.9101 1.9101 7.5379 7.5379 7.7299 7.7299 9.4725 9.4725 9.7150 9.7150 10.6014 10.6014 10.6502 10.6502 10.7331 10.7331 11.7629 11.7629 11.7831 11.7831 11.8211 11.8211 12.0514 12.0514 12.9331 12.9331 15.7321 15.7321 16.6857 16.6857 17.5194 17.5194 18.2807 18.2807 19.1289 19.1289 19.9729 19.9729 k = 0.0333 0.0577-0.0000 ( 3123 PWs) bands (ev): -4.9096 -4.9096 -4.5344 -4.5344 -4.4262 -4.4262 -4.3100 -4.3100 -2.3197 -2.3197 -2.2594 -2.2594 -1.8432 -1.8432 -1.7538 -1.7538 -1.5816 -1.5816 -1.5582 -1.5582 1.8959 1.8959 7.5421 7.5421 7.7149 7.7149 9.4819 9.4819 9.7178 9.7178 10.6123 10.6123 10.6635 10.6635 10.7348 10.7348 11.7543 11.7543 11.7753 11.7753 11.8217 11.8217 12.0398 12.0398 12.9200 12.9200 15.8390 15.8390 16.7444 16.7444 17.5531 17.5531 18.3362 18.3362 19.1588 19.1588 19.8995 19.8995 k = 0.0267 0.0462-0.0000 ( 3125 PWs) bands (ev): -4.9097 -4.9097 -4.5344 -4.5344 -4.4265 -4.4265 -4.3099 -4.3099 -2.3198 -2.3198 -2.2595 -2.2595 -1.8432 -1.8432 -1.7546 -1.7546 -1.5820 -1.5820 -1.5581 -1.5581 1.8843 1.8843 7.5456 7.5456 7.7026 7.7026 9.4881 9.4881 9.7218 9.7218 10.6216 10.6216 10.6750 10.6750 10.7357 10.7357 11.7464 11.7464 11.7663 11.7663 11.8255 11.8255 12.0306 12.0306 12.9089 12.9089 15.9352 15.9352 16.7755 16.7755 17.6018 17.6018 18.3852 18.3852 19.1639 19.1639 19.8593 19.8593 k = 0.0200 0.0346-0.0000 ( 3127 PWs) bands (ev): -4.9098 -4.9098 -4.5343 -4.5343 -4.4268 -4.4268 -4.3099 -4.3099 -2.3198 -2.3198 -2.2596 -2.2596 -1.8431 -1.8431 -1.7552 -1.7552 -1.5822 -1.5822 -1.5581 -1.5581 1.8753 1.8753 7.5484 7.5484 7.6930 7.6930 9.4919 9.4919 9.7260 9.7260 10.6292 10.6292 10.6844 10.6844 10.7360 10.7360 11.7397 11.7397 11.7583 11.7583 11.8296 11.8296 12.0236 12.0236 12.8999 12.8999 16.0175 16.0175 16.7858 16.7858 17.6561 17.6561 18.4266 18.4266 19.1466 19.1466 19.8548 19.8548 k = 0.0133 0.0231-0.0000 ( 3127 PWs) bands (ev): -4.9099 -4.9099 -4.5343 -4.5343 -4.4269 -4.4269 -4.3098 -4.3098 -2.3199 -2.3199 -2.2596 -2.2596 -1.8431 -1.8431 -1.7556 -1.7556 -1.5824 -1.5824 -1.5580 -1.5580 1.8688 1.8688 7.5504 7.5504 7.6860 7.6860 9.4940 9.4940 9.7297 9.7297 10.6349 10.6349 10.6913 10.6913 10.7359 10.7359 11.7347 11.7347 11.7522 11.7522 11.8330 11.8330 12.0187 12.0187 12.8934 12.8934 16.0817 16.0817 16.7841 16.7841 17.7052 17.7052 18.4590 18.4590 19.1180 19.1180 19.8789 19.8789 k = 0.0067 0.0115-0.0000 ( 3129 PWs) bands (ev): -4.9099 -4.9099 -4.5343 -4.5343 -4.4270 -4.4270 -4.3098 -4.3098 -2.3199 -2.3199 -2.2596 -2.2596 -1.8431 -1.8431 -1.7558 -1.7558 -1.5825 -1.5825 -1.5580 -1.5580 1.8649 1.8649 7.5516 7.5516 7.6819 7.6819 9.4950 9.4950 9.7322 9.7322 10.6384 10.6384 10.6955 10.6955 10.7358 10.7358 11.7316 11.7316 11.7485 11.7485 11.8351 11.8351 12.0157 12.0157 12.8894 12.8894 16.1232 16.1232 16.7788 16.7788 17.7392 17.7392 18.4801 18.4801 19.0931 19.0931 19.9161 19.9161 k = 0.0000 0.0000 0.0000 ( 3137 PWs) bands (ev): -4.9099 -4.9099 -4.5343 -4.5343 -4.4271 -4.4271 -4.3098 -4.3098 -2.3199 -2.3199 -2.2596 -2.2596 -1.8431 -1.8431 -1.7559 -1.7559 -1.5825 -1.5825 -1.5580 -1.5580 1.8636 1.8636 7.5520 7.5520 7.6805 7.6805 9.4953 9.4953 9.7331 9.7331 10.6396 10.6396 10.6969 10.6969 10.7357 10.7357 11.7305 11.7305 11.7472 11.7472 11.8359 11.8359 12.0148 12.0148 12.8881 12.8881 16.1376 16.1376 16.7763 16.7763 17.7514 17.7514 18.4875 18.4875 19.0833 19.0833 19.9369 19.9369 k = 0.0000 0.0000 0.0000 ( 3137 PWs) bands (ev): -4.9099 -4.9099 -4.5343 -4.5343 -4.4271 -4.4271 -4.3098 -4.3098 -2.3199 -2.3199 -2.2596 -2.2596 -1.8431 -1.8431 -1.7559 -1.7559 -1.5825 -1.5825 -1.5580 -1.5580 1.8636 1.8636 7.5520 7.5520 7.6805 7.6805 9.4953 9.4953 9.7331 9.7331 10.6396 10.6396 10.6969 10.6969 10.7357 10.7357 11.7305 11.7305 11.7472 11.7472 11.8359 11.8359 12.0148 12.0148 12.8881 12.8881 16.1376 16.1376 16.7763 16.7763 17.7514 17.7514 18.4875 18.4875 19.0833 19.0833 19.9369 19.9369 k = 0.0000 0.0000 0.0134 ( 3131 PWs) bands (ev): -4.9092 -4.9092 -4.5342 -4.5342 -4.4270 -4.4270 -4.3099 -4.3099 -2.3199 -2.3199 -2.2592 -2.2592 -1.8431 -1.8431 -1.7560 -1.7560 -1.5834 -1.5834 -1.5586 -1.5586 1.8651 1.8651 7.4143 7.4143 7.8183 7.8183 9.4959 9.4959 9.7334 9.7334 10.6381 10.6381 10.6980 10.6980 10.7347 10.7347 11.7246 11.7246 11.7549 11.7550 11.8365 11.8365 12.0149 12.0149 12.8917 12.8917 16.1377 16.1377 16.7757 16.7757 17.7518 17.7518 18.4694 18.4694 19.0997 19.0997 19.9294 19.9294 k = 0.0000 0.0000 0.0269 ( 3143 PWs) bands (ev): -4.9070 -4.9070 -4.5339 -4.5339 -4.4266 -4.4266 -4.3100 -4.3100 -2.3199 -2.3199 -2.2579 -2.2579 -1.8430 -1.8430 -1.7562 -1.7562 -1.5862 -1.5862 -1.5604 -1.5604 1.8695 1.8695 7.2286 7.2286 8.0044 8.0044 9.4976 9.4976 9.7346 9.7346 10.6337 10.6337 10.7013 10.7013 10.7315 10.7315 11.7159 11.7159 11.7690 11.7690 11.8384 11.8384 12.0153 12.0153 12.9027 12.9027 16.1381 16.1381 16.7741 16.7741 17.7529 17.7529 18.4205 18.4205 19.1430 19.1430 19.9075 19.9075 k = 0.0000 0.0000 0.0403 ( 3149 PWs) bands (ev): -4.9033 -4.9033 -4.5333 -4.5333 -4.4260 -4.4260 -4.3103 -4.3103 -2.3198 -2.3198 -2.2558 -2.2558 -1.8428 -1.8428 -1.7565 -1.7565 -1.5908 -1.5908 -1.5635 -1.5635 1.8769 1.8769 7.0407 7.0407 8.1928 8.1928 9.5005 9.5005 9.7365 9.7365 10.6263 10.6263 10.7068 10.7068 10.7264 10.7264 11.7087 11.7087 11.7852 11.7852 11.8416 11.8416 12.0160 12.0160 12.9210 12.9210 16.1387 16.1387 16.7713 16.7713 17.7547 17.7547 18.3513 18.3513 19.2012 19.2012 19.8726 19.8726 k = 0.0000 0.0000 0.0537 ( 3137 PWs) bands (ev): -4.8982 -4.8982 -4.5325 -4.5325 -4.4252 -4.4252 -4.3107 -4.3107 -2.3196 -2.3196 -2.2529 -2.2529 -1.8426 -1.8426 -1.7569 -1.7569 -1.5971 -1.5971 -1.5677 -1.5677 1.8873 1.8873 6.8532 6.8532 8.3804 8.3804 9.5045 9.5045 9.7393 9.7393 10.6160 10.6160 10.7143 10.7143 10.7193 10.7193 11.7035 11.7035 11.8027 11.8027 11.8463 11.8463 12.0169 12.0169 12.9466 12.9466 16.1396 16.1396 16.7675 16.7675 17.7573 17.7573 18.2703 18.2703 19.2627 19.2627 19.8271 19.8271 k = 0.0000 0.0000 0.0672 ( 3137 PWs) bands (ev): -4.8918 -4.8918 -4.5314 -4.5314 -4.4242 -4.4242 -4.3112 -4.3112 -2.3194 -2.3194 -2.2490 -2.2490 -1.8423 -1.8423 -1.7574 -1.7574 -1.6052 -1.6052 -1.5731 -1.5731 1.9007 1.9007 6.6673 6.6673 8.5660 8.5660 9.5097 9.5097 9.7428 9.7428 10.6031 10.6031 10.7104 10.7104 10.7240 10.7240 11.7005 11.7005 11.8212 11.8212 11.8524 11.8524 12.0181 12.0181 12.9798 12.9798 16.1408 16.1408 16.7626 16.7626 17.7607 17.7607 18.1829 18.1829 19.3162 19.3162 19.7729 19.7730 k = 0.0000 0.0000 0.0806 ( 3149 PWs) bands (ev): -4.8840 -4.8840 -4.5302 -4.5302 -4.4229 -4.4229 -4.3119 -4.3119 -2.3190 -2.3190 -2.2444 -2.2444 -1.8420 -1.8420 -1.7581 -1.7581 -1.6150 -1.6150 -1.5797 -1.5797 1.9170 1.9170 6.4832 6.4832 8.7485 8.7485 9.5159 9.5159 9.7471 9.7471 10.5876 10.5876 10.6997 10.6997 10.7355 10.7355 11.6998 11.6998 11.8403 11.8403 11.8602 11.8602 12.0196 12.0196 13.0205 13.0205 16.1424 16.1424 16.7566 16.7566 17.7649 17.7649 18.0923 18.0923 19.3490 19.3490 19.7122 19.7122 k = 0.0000 0.0000 0.0940 ( 3155 PWs) bands (ev): -4.8749 -4.8749 -4.5289 -4.5289 -4.4214 -4.4214 -4.3127 -4.3127 -2.3184 -2.3184 -2.2389 -2.2389 -1.8416 -1.8416 -1.7588 -1.7588 -1.6264 -1.6264 -1.5874 -1.5874 1.9364 1.9364 6.3015 6.3015 8.9270 8.9270 9.5233 9.5233 9.7522 9.7522 10.5697 10.5697 10.6875 10.6875 10.7488 10.7488 11.7014 11.7014 11.8599 11.8599 11.8697 11.8697 12.0213 12.0213 13.0691 13.0691 16.1445 16.1445 16.7496 16.7496 17.7699 17.7699 18.0003 18.0003 19.3491 19.3491 19.6464 19.6464 k = 0.0000 0.0000 0.1074 ( 3155 PWs) bands (ev): -4.8647 -4.8647 -4.5274 -4.5274 -4.4197 -4.4197 -4.3135 -4.3135 -2.3176 -2.3176 -2.2326 -2.2326 -1.8412 -1.8412 -1.7597 -1.7597 -1.6394 -1.6394 -1.5962 -1.5962 1.9589 1.9589 6.1222 6.1222 9.1003 9.1003 9.5318 9.5318 9.7582 9.7582 10.5497 10.5497 10.6741 10.6741 10.7639 10.7639 11.7052 11.7052 11.8796 11.8796 11.8809 11.8809 12.0232 12.0232 13.1258 13.1258 16.1471 16.1471 16.7416 16.7416 17.7758 17.7758 17.9083 17.9083 19.3130 19.3130 19.5769 19.5769 k = 0.0000 0.0000 0.1209 ( 3143 PWs) bands (ev): -4.8533 -4.8533 -4.5259 -4.5259 -4.4179 -4.4179 -4.3145 -4.3145 -2.3166 -2.3166 -2.2255 -2.2255 -1.8409 -1.8409 -1.7607 -1.7607 -1.6538 -1.6538 -1.6060 -1.6060 1.9843 1.9843 5.9458 5.9458 9.2675 9.2675 9.5415 9.5415 9.7650 9.7650 10.5277 10.5277 10.6596 10.6596 10.7804 10.7804 11.7112 11.7112 11.8938 11.8938 11.8992 11.8992 12.0254 12.0254 13.1909 13.1909 16.1502 16.1502 16.7327 16.7327 17.7827 17.7827 17.8170 17.8170 19.2484 19.2484 19.5048 19.5048 k = 0.0000 0.0000 0.1343 ( 3143 PWs) bands (ev): -4.8409 -4.8409 -4.5243 -4.5243 -4.4158 -4.4158 -4.3157 -4.3157 -2.3151 -2.3151 -2.2176 -2.2176 -1.8407 -1.8407 -1.7617 -1.7617 -1.6696 -1.6696 -1.6168 -1.6168 2.0129 2.0129 5.7724 5.7724 9.4273 9.4273 9.5522 9.5522 9.7726 9.7726 10.5039 10.5039 10.6445 10.6445 10.7982 10.7982 11.7192 11.7192 11.9083 11.9083 11.9185 11.9185 12.0278 12.0278 13.2648 13.2648 16.1541 16.1541 16.7227 16.7227 17.7272 17.7272 17.7905 17.7905 19.1658 19.1658 19.4310 19.4310 k = 0.0000 0.0000 0.1477 ( 3143 PWs) bands (ev): -4.8275 -4.8275 -4.5228 -4.5228 -4.4136 -4.4136 -4.3169 -4.3169 -2.3132 -2.3132 -2.2089 -2.2089 -1.8406 -1.8406 -1.7629 -1.7629 -1.6865 -1.6865 -1.6287 -1.6287 2.0446 2.0446 5.6022 5.6022 9.5639 9.5639 9.5784 9.5784 9.7811 9.7811 10.4786 10.4786 10.6293 10.6293 10.8171 10.8171 11.7292 11.7292 11.9243 11.9243 11.9372 11.9372 12.0304 12.0304 13.3479 13.3479 16.1587 16.1587 16.7119 16.7119 17.6393 17.6393 17.7993 17.7993 19.0736 19.0736 19.3561 19.3561 k = 0.0000 0.0000 0.1612 ( 3137 PWs) bands (ev): -4.8134 -4.8134 -4.5212 -4.5212 -4.4112 -4.4112 -4.3182 -4.3182 -2.3109 -2.3109 -2.1994 -2.1994 -1.8408 -1.8408 -1.7642 -1.7642 -1.7043 -1.7043 -1.6414 -1.6414 2.0794 2.0794 5.4354 5.4354 9.5768 9.5768 9.7195 9.7195 9.7904 9.7904 10.4519 10.4519 10.6148 10.6148 10.8369 10.8369 11.7409 11.7409 11.9416 11.9416 11.9552 11.9552 12.0333 12.0333 13.4406 13.4406 16.1641 16.1641 16.7001 16.7001 17.5538 17.5538 17.8092 17.8092 18.9769 18.9769 19.2807 19.2807 k = 0.0000 0.0000 0.1746 ( 3125 PWs) bands (ev): -4.7985 -4.7985 -4.5198 -4.5198 -4.4086 -4.4086 -4.3197 -4.3197 -2.3079 -2.3079 -2.1891 -2.1891 -1.8415 -1.8415 -1.7655 -1.7655 -1.7227 -1.7227 -1.6550 -1.6550 2.1174 2.1174 5.2721 5.2721 9.5906 9.5906 9.8006 9.8006 9.8488 9.8488 10.4241 10.4241 10.6021 10.6021 10.8574 10.8574 11.7542 11.7542 11.9598 11.9598 11.9722 11.9722 12.0364 12.0364 13.5432 13.5432 16.1704 16.1704 16.6875 16.6875 17.4708 17.4708 17.8202 17.8202 18.8791 18.8791 19.2054 19.2054 k = 0.0000 0.0000 0.1880 ( 3125 PWs) bands (ev): -4.7830 -4.7830 -4.5186 -4.5186 -4.4059 -4.4059 -4.3213 -4.3213 -2.3043 -2.3043 -2.1781 -2.1781 -1.8432 -1.8432 -1.7670 -1.7670 -1.7413 -1.7413 -1.6694 -1.6694 2.1587 2.1587 5.1123 5.1123 9.6055 9.6055 9.8117 9.8117 9.9644 9.9644 10.3953 10.3953 10.5927 10.5927 10.8782 10.8782 11.7689 11.7689 11.9785 11.9785 11.9880 11.9880 12.0397 12.0397 13.6559 13.6559 16.1775 16.1775 16.6740 16.6740 17.3908 17.3908 17.8325 17.8325 18.7824 18.7824 19.1305 19.1305 k = 0.0000 0.0000 0.2015 ( 3124 PWs) bands (ev): -4.7671 -4.7671 -4.5177 -4.5177 -4.4031 -4.4031 -4.3230 -4.3230 -2.2999 -2.2999 -2.1663 -2.1663 -1.8464 -1.8464 -1.7685 -1.7685 -1.7592 -1.7592 -1.6845 -1.6845 2.2032 2.2032 4.9564 4.9564 9.6215 9.6215 9.8236 9.8236 10.0635 10.0635 10.3657 10.3657 10.5891 10.5891 10.8990 10.8990 11.7848 11.7848 11.9974 11.9974 12.0026 12.0026 12.0433 12.0433 13.7786 13.7786 16.1857 16.1857 16.6597 16.6597 17.3138 17.3138 17.8460 17.8460 18.6885 18.6885 19.0565 19.0565 k = 0.0000 0.0000 0.2149 ( 3136 PWs) bands (ev): -4.7509 -4.7509 -4.5170 -4.5170 -4.4002 -4.4002 -4.3248 -4.3248 -2.2947 -2.2947 -2.1538 -2.1538 -1.8523 -1.8523 -1.7752 -1.7752 -1.7701 -1.7701 -1.7004 -1.7004 2.2510 2.2510 4.8042 4.8042 9.6384 9.6384 9.8364 9.8364 10.1430 10.1430 10.3355 10.3355 10.5947 10.5947 10.9196 10.9196 11.8017 11.8017 12.0158 12.0158 12.0161 12.0161 12.0472 12.0472 13.9112 13.9112 16.1946 16.1946 16.6446 16.6446 17.2401 17.2401 17.8610 17.8610 18.5986 18.5986 18.9835 18.9835 k = 0.0000 0.0000 0.2283 ( 3136 PWs) bands (ev): -4.7344 -4.7344 -4.5167 -4.5167 -4.3972 -4.3972 -4.3268 -4.3268 -2.2885 -2.2885 -2.1407 -2.1407 -1.8623 -1.8623 -1.7878 -1.7878 -1.7718 -1.7718 -1.7168 -1.7168 2.3021 2.3021 4.6560 4.6560 9.6563 9.6563 9.8501 9.8501 10.1996 10.1996 10.3048 10.3048 10.6127 10.6127 10.9397 10.9397 11.8194 11.8194 12.0274 12.0274 12.0341 12.0341 12.0513 12.0513 14.0532 14.0532 16.2044 16.2044 16.6287 16.6287 17.1697 17.1697 17.8774 17.8774 18.5140 18.5140 18.9120 18.9120 k = 0.0000 0.0000 0.2417 ( 3136 PWs) bands (ev): -4.7179 -4.7179 -4.5169 -4.5169 -4.3941 -4.3941 -4.3288 -4.3288 -2.2814 -2.2814 -2.1269 -2.1269 -1.8769 -1.8769 -1.7961 -1.7961 -1.7735 -1.7735 -1.7339 -1.7339 2.3566 2.3566 4.5117 4.5117 9.6752 9.6752 9.8646 9.8646 10.2329 10.2329 10.2738 10.2738 10.6439 10.6439 10.9589 10.9589 11.8378 11.8378 12.0373 12.0373 12.0509 12.0509 12.0558 12.0558 14.2037 14.2037 16.2147 16.2147 16.6119 16.6119 17.1028 17.1028 17.8953 17.8953 18.4356 18.4356 18.8421 18.8421 k = 0.0000 0.0000 0.2552 ( 3136 PWs) bands (ev): -4.7015 -4.7015 -4.5175 -4.5175 -4.3909 -4.3909 -4.3310 -4.3310 -2.2732 -2.2732 -2.1124 -2.1124 -1.8956 -1.8956 -1.8009 -1.8009 -1.7753 -1.7753 -1.7514 -1.7514 2.4146 2.4146 4.3715 4.3715 9.6950 9.6950 9.8800 9.8800 10.2425 10.2425 10.2466 10.2466 10.6852 10.6852 10.9768 10.9768 11.8565 11.8565 12.0454 12.0454 12.0605 12.0605 12.0664 12.0664 14.3618 14.3618 16.2252 16.2252 16.5945 16.5945 17.0394 17.0394 17.9149 17.9149 18.3645 18.3645 18.7741 18.7741 k = 0.0000 0.0000 0.2686 ( 3142 PWs) bands (ev): -4.6853 -4.6853 -4.5188 -4.5188 -4.3877 -4.3877 -4.3333 -4.3333 -2.2639 -2.2639 -2.0973 -2.0973 -1.9169 -1.9169 -1.8032 -1.8032 -1.7771 -1.7771 -1.7694 -1.7694 2.4761 2.4761 4.2354 4.2354 9.7157 9.7157 9.8962 9.8962 10.2112 10.2112 10.2465 10.2465 10.7314 10.7314 10.9932 10.9932 11.8754 11.8754 12.0517 12.0517 12.0656 12.0656 12.0801 12.0801 14.5260 14.5260 16.2352 16.2352 16.5767 16.5767 16.9795 16.9795 17.9363 17.9363 18.3020 18.3020 18.7081 18.7081 k = 0.0000 0.0000 0.2820 ( 3136 PWs) bands (ev): -4.6694 -4.6694 -4.5207 -4.5207 -4.3844 -4.3844 -4.3357 -4.3357 -2.2535 -2.2535 -2.0817 -2.0817 -1.9398 -1.9398 -1.8041 -1.8041 -1.7877 -1.7877 -1.7790 -1.7790 2.5411 2.5411 4.1033 4.1033 9.7373 9.7373 9.9133 9.9133 10.1799 10.1799 10.2375 10.2375 10.7783 10.7783 11.0077 11.0077 11.8943 11.8943 12.0561 12.0561 12.0709 12.0709 12.0918 12.0918 14.6947 14.6947 16.2434 16.2434 16.5589 16.5589 16.9231 16.9231 17.9595 17.9595 18.2493 18.2493 18.6442 18.6442 k = 0.0000 0.0000 0.2955 ( 3136 PWs) bands (ev): -4.6539 -4.6539 -4.5233 -4.5233 -4.3811 -4.3811 -4.3382 -4.3382 -2.2418 -2.2418 -2.0655 -2.0655 -1.9635 -1.9635 -1.8064 -1.8064 -1.8040 -1.8040 -1.7809 -1.7809 2.6097 2.6097 3.9754 3.9754 9.7598 9.7598 9.9311 9.9311 10.1486 10.1486 10.2230 10.2230 10.8232 10.8232 11.0200 11.0200 11.9131 11.9131 12.0586 12.0586 12.0765 12.0765 12.1015 12.1015 14.8660 14.8660 16.2482 16.2482 16.5421 16.5421 16.8700 16.8700 17.9846 17.9846 18.2079 18.2079 18.5827 18.5827 k = 0.0000 0.0000 0.3089 ( 3124 PWs) bands (ev): -4.6390 -4.6390 -4.5267 -4.5267 -4.3778 -4.3778 -4.3408 -4.3408 -2.2288 -2.2288 -2.0488 -2.0488 -1.9876 -1.9876 -1.8253 -1.8253 -1.8034 -1.8034 -1.7828 -1.7828 2.6820 2.6820 3.8516 3.8516 9.7831 9.7831 9.9497 9.9497 10.1176 10.1176 10.2050 10.2050 10.8645 10.8645 11.0297 11.0297 11.9314 11.9314 12.0591 12.0591 12.0823 12.0823 12.1090 12.1090 15.0376 15.0376 16.2465 16.2465 16.5282 16.5282 16.8203 16.8203 18.0118 18.0118 18.1794 18.1794 18.5236 18.5236 k = 0.0000 0.0000 0.3223 ( 3130 PWs) bands (ev): -4.6247 -4.6247 -4.5309 -4.5309 -4.3745 -4.3745 -4.3435 -4.3435 -2.2146 -2.2146 -2.0316 -2.0316 -2.0117 -2.0117 -1.8444 -1.8444 -1.8023 -1.8023 -1.7848 -1.7848 2.7580 2.7580 3.7319 3.7319 9.8073 9.8073 9.9690 9.9690 10.0868 10.0868 10.1850 10.1850 10.9016 10.9016 11.0366 11.0366 11.9490 11.9490 12.0576 12.0576 12.0882 12.0882 12.1144 12.1144 15.2070 15.2070 16.2343 16.2343 16.5195 16.5195 16.7738 16.7738 18.0411 18.0411 18.1656 18.1656 18.4669 18.4669 k = 0.0000 0.0000 0.3358 ( 3130 PWs) bands (ev): -4.6112 -4.6112 -4.5360 -4.5360 -4.3712 -4.3712 -4.3463 -4.3463 -2.1991 -2.1991 -2.0356 -2.0356 -2.0140 -2.0140 -1.8636 -1.8636 -1.8010 -1.8010 -1.7867 -1.7867 2.8377 2.8377 3.6164 3.6164 9.8323 9.8323 9.9890 9.9890 10.0564 10.0564 10.1637 10.1637 10.9342 10.9342 11.0404 11.0404 11.9660 11.9660 12.0542 12.0542 12.0941 12.0941 12.1178 12.1178 15.3715 15.3715 16.2078 16.2078 16.5184 16.5184 16.7304 16.7304 18.0726 18.0726 18.1688 18.1688 18.4129 18.4129 k = 0.0000 0.0000 0.3492 ( 3136 PWs) bands (ev): -4.5985 -4.5985 -4.5420 -4.5420 -4.3679 -4.3679 -4.3491 -4.3491 -2.1824 -2.1824 -2.0591 -2.0591 -1.9960 -1.9960 -1.8828 -1.8828 -1.7996 -1.7996 -1.7887 -1.7887 2.9212 2.9212 3.5050 3.5050 9.8580 9.8580 10.0096 10.0096 10.0264 10.0264 10.1417 10.1417 10.9623 10.9623 11.0409 11.0409 11.9819 11.9819 12.0489 12.0489 12.0999 12.0999 12.1192 12.1192 15.5281 15.5281 16.1641 16.1641 16.5257 16.5257 16.6901 16.6901 18.1064 18.1064 18.1911 18.1911 18.3613 18.3613 k = 0.0000 0.0000 0.3626 ( 3142 PWs) bands (ev): -4.5867 -4.5867 -4.5490 -4.5490 -4.3646 -4.3646 -4.3521 -4.3521 -2.1645 -2.1645 -2.0819 -2.0819 -1.9777 -1.9777 -1.9020 -1.9020 -1.7979 -1.7979 -1.7906 -1.7906 3.0086 3.0086 3.3976 3.3976 9.8845 9.8845 9.9969 9.9969 10.0308 10.0308 10.1193 10.1193 10.9859 10.9859 11.0378 11.0378 11.9967 11.9967 12.0418 12.0418 12.1053 12.1053 12.1190 12.1190 15.6739 15.6739 16.1020 16.1020 16.5408 16.5408 16.6529 16.6529 18.1426 18.1426 18.2347 18.2347 18.3124 18.3124 k = 0.0000 0.0000 0.3760 ( 3142 PWs) bands (ev): -4.5758 -4.5758 -4.5570 -4.5570 -4.3614 -4.3614 -4.3551 -4.3551 -2.1454 -2.1454 -2.1040 -2.1040 -1.9591 -1.9591 -1.9212 -1.9212 -1.7962 -1.7962 -1.7925 -1.7925 3.0999 3.0999 3.2944 3.2944 9.9116 9.9116 9.9679 9.9679 10.0525 10.0525 10.0969 10.0969 11.0051 11.0051 11.0309 11.0309 12.0102 12.0102 12.0329 12.0329 12.1101 12.1101 12.1172 12.1172 15.8061 15.8061 16.0214 16.0214 16.5622 16.5622 16.6189 16.6189 18.1813 18.1813 18.2662 18.2662 18.3014 18.3014 k = 0.0000 0.0000 0.3895 ( 3154 PWs) bands (ev): -4.5659 -4.5659 -4.5659 -4.5659 -4.3583 -4.3583 -4.3583 -4.3583 -2.1252 -2.1252 -2.1252 -2.1252 -1.9402 -1.9402 -1.9402 -1.9402 -1.7944 -1.7944 -1.7944 -1.7944 3.1951 3.1951 3.1951 3.1951 9.9394 9.9394 9.9394 9.9394 10.0745 10.0745 10.0745 10.0745 11.0200 11.0200 11.0200 11.0200 12.0223 12.0223 12.0223 12.0223 12.1142 12.1142 12.1142 12.1142 15.9225 15.9225 15.9225 15.9225 16.5885 16.5885 16.5885 16.5885 18.2224 18.2224 18.2224 18.2224 18.3924 18.3924 k = 0.0000 0.0000 0.3895 ( 3154 PWs) bands (ev): -4.5659 -4.5659 -4.5659 -4.5659 -4.3583 -4.3583 -4.3583 -4.3583 -2.1252 -2.1252 -2.1252 -2.1252 -1.9402 -1.9402 -1.9402 -1.9402 -1.7944 -1.7944 -1.7944 -1.7944 3.1951 3.1951 3.1951 3.1951 9.9394 9.9394 9.9394 9.9394 10.0745 10.0745 10.0745 10.0745 11.0200 11.0200 11.0200 11.0200 12.0223 12.0223 12.0223 12.0223 12.1142 12.1142 12.1142 12.1142 15.9225 15.9225 15.9225 15.9225 16.5885 16.5885 16.5885 16.5885 18.2224 18.2224 18.2224 18.2224 18.3924 18.3924 k = 0.0116 0.0067 0.3895 ( 3142 PWs) bands (ev): -4.5659 -4.5659 -4.5659 -4.5659 -4.3582 -4.3582 -4.3582 -4.3582 -2.1252 -2.1252 -2.1252 -2.1252 -1.9402 -1.9402 -1.9402 -1.9402 -1.7943 -1.7943 -1.7943 -1.7943 3.1962 3.1962 3.1962 3.1962 9.9393 9.9393 9.9393 9.9393 10.0744 10.0744 10.0744 10.0744 11.0195 11.0195 11.0195 11.0195 12.0212 12.0212 12.0212 12.0212 12.1144 12.1144 12.1144 12.1144 15.9142 15.9142 15.9142 15.9142 16.5890 16.5890 16.5890 16.5890 18.2092 18.2092 18.2092 18.2092 18.4088 18.4088 k = 0.0233 0.0134 0.3895 ( 3142 PWs) bands (ev): -4.5659 -4.5659 -4.5659 -4.5659 -4.3582 -4.3582 -4.3582 -4.3582 -2.1251 -2.1251 -2.1251 -2.1251 -1.9402 -1.9402 -1.9402 -1.9402 -1.7942 -1.7942 -1.7942 -1.7942 3.1996 3.1996 3.1996 3.1996 9.9387 9.9387 9.9387 9.9387 10.0741 10.0741 10.0741 10.0741 11.0181 11.0181 11.0181 11.0181 12.0179 12.0179 12.0179 12.0179 12.1152 12.1152 12.1152 12.1152 15.8898 15.8898 15.8898 15.8898 16.5904 16.5904 16.5904 16.5904 18.1783 18.1783 18.1783 18.1783 18.4487 18.4487 k = 0.0349 0.0201 0.3895 ( 3140 PWs) bands (ev): -4.5659 -4.5659 -4.5659 -4.5659 -4.3581 -4.3581 -4.3581 -4.3581 -2.1250 -2.1250 -2.1250 -2.1250 -1.9403 -1.9403 -1.9403 -1.9403 -1.7940 -1.7940 -1.7940 -1.7940 3.2052 3.2052 3.2052 3.2052 9.9378 9.9378 9.9378 9.9378 10.0737 10.0737 10.0737 10.0737 11.0156 11.0156 11.0156 11.0156 12.0126 12.0126 12.0126 12.0126 12.1162 12.1162 12.1162 12.1162 15.8503 15.8503 15.8503 15.8503 16.5924 16.5924 16.5924 16.5924 18.1407 18.1407 18.1407 18.1407 18.5007 18.5007 k = 0.0465 0.0269 0.3895 ( 3142 PWs) bands (ev): -4.5658 -4.5658 -4.5658 -4.5658 -4.3580 -4.3580 -4.3580 -4.3580 -2.1249 -2.1249 -2.1249 -2.1249 -1.9403 -1.9403 -1.9403 -1.9403 -1.7937 -1.7937 -1.7937 -1.7937 3.2130 3.2130 3.2130 3.2130 9.9363 9.9363 9.9363 9.9363 10.0732 10.0732 10.0732 10.0732 11.0121 11.0121 11.0121 11.0121 12.0056 12.0056 12.0056 12.0056 12.1174 12.1174 12.1174 12.1174 15.7971 15.7971 15.7971 15.7971 16.5945 16.5945 16.5945 16.5945 18.1005 18.1005 18.1005 18.1005 18.5595 18.5595 k = 0.0581 0.0336 0.3895 ( 3158 PWs) bands (ev): -4.5658 -4.5658 -4.5658 -4.5658 -4.3579 -4.3579 -4.3579 -4.3579 -2.1248 -2.1248 -2.1248 -2.1248 -1.9404 -1.9404 -1.9404 -1.9404 -1.7933 -1.7933 -1.7933 -1.7933 3.2230 3.2230 3.2230 3.2230 9.9343 9.9343 9.9343 9.9343 10.0727 10.0727 10.0727 10.0727 11.0075 11.0075 11.0075 11.0075 11.9970 11.9970 11.9970 11.9970 12.1186 12.1186 12.1186 12.1186 15.7318 15.7318 15.7318 15.7318 16.5962 16.5962 16.5962 16.5962 18.0591 18.0591 18.0591 18.0591 18.6225 18.6225 k = 0.0698 0.0403 0.3895 ( 3152 PWs) bands (ev): -4.5657 -4.5657 -4.5657 -4.5657 -4.3577 -4.3577 -4.3577 -4.3577 -2.1246 -2.1246 -2.1246 -2.1246 -1.9404 -1.9404 -1.9404 -1.9404 -1.7928 -1.7928 -1.7928 -1.7928 3.2351 3.2351 3.2351 3.2351 9.9316 9.9316 9.9316 9.9316 10.0723 10.0723 10.0723 10.0723 11.0019 11.0019 11.0019 11.0019 11.9871 11.9871 11.9871 11.9871 12.1196 12.1196 12.1196 12.1196 15.6561 15.6561 15.6561 15.6561 16.5972 16.5972 16.5972 16.5972 18.0170 18.0170 18.0170 18.0170 18.6877 18.6878 k = 0.0814 0.0470 0.3895 ( 3156 PWs) bands (ev): -4.5657 -4.5657 -4.5657 -4.5657 -4.3575 -4.3575 -4.3575 -4.3575 -2.1244 -2.1244 -2.1244 -2.1244 -1.9405 -1.9405 -1.9405 -1.9405 -1.7922 -1.7922 -1.7922 -1.7922 3.2494 3.2494 3.2494 3.2494 9.9280 9.9280 9.9280 9.9280 10.0723 10.0723 10.0723 10.0723 10.9951 10.9951 10.9951 10.9951 11.9762 11.9762 11.9762 11.9762 12.1204 12.1204 12.1204 12.1204 15.5716 15.5716 15.5716 15.5716 16.5973 16.5973 16.5973 16.5973 17.9743 17.9743 17.9743 17.9743 18.7535 18.7535 k = 0.0930 0.0537 0.3895 ( 3152 PWs) bands (ev): -4.5656 -4.5656 -4.5656 -4.5656 -4.3573 -4.3573 -4.3573 -4.3573 -2.1242 -2.1242 -2.1242 -2.1242 -1.9406 -1.9406 -1.9406 -1.9406 -1.7916 -1.7916 -1.7916 -1.7916 3.2657 3.2657 3.2657 3.2657 9.9235 9.9235 9.9235 9.9235 10.0727 10.0727 10.0727 10.0727 10.9872 10.9872 10.9872 10.9872 11.9643 11.9643 11.9643 11.9643 12.1207 12.1207 12.1207 12.1207 15.4796 15.4796 15.4796 15.4796 16.5962 16.5962 16.5962 16.5962 17.9313 17.9313 17.9313 17.9313 18.8182 18.8182 k = 0.1047 0.0604 0.3895 ( 3144 PWs) bands (ev): -4.5655 -4.5655 -4.5655 -4.5655 -4.3570 -4.3570 -4.3570 -4.3570 -2.1239 -2.1239 -2.1239 -2.1239 -1.9407 -1.9407 -1.9407 -1.9407 -1.7909 -1.7909 -1.7909 -1.7909 3.2841 3.2841 3.2841 3.2841 9.9180 9.9180 9.9180 9.9180 10.0737 10.0737 10.0737 10.0737 10.9781 10.9781 10.9781 10.9781 11.9517 11.9517 11.9517 11.9517 12.1207 12.1207 12.1207 12.1207 15.3816 15.3816 15.3816 15.3816 16.5938 16.5938 16.5938 16.5938 17.8881 17.8881 17.8881 17.8881 18.8799 18.8799 k = 0.1163 0.0671 0.3895 ( 3144 PWs) bands (ev): -4.5654 -4.5654 -4.5654 -4.5654 -4.3567 -4.3567 -4.3567 -4.3567 -2.1237 -2.1237 -2.1237 -2.1237 -1.9408 -1.9408 -1.9408 -1.9408 -1.7901 -1.7901 -1.7901 -1.7901 3.3044 3.3044 3.3044 3.3044 9.9113 9.9113 9.9113 9.9113 10.0754 10.0754 10.0754 10.0754 10.9678 10.9678 10.9678 10.9678 11.9386 11.9386 11.9386 11.9386 12.1203 12.1203 12.1203 12.1203 15.2786 15.2786 15.2786 15.2786 16.5901 16.5901 16.5901 16.5901 17.8452 17.8452 17.8452 17.8452 18.9371 18.9371 k = 0.1279 0.0738 0.3895 ( 3136 PWs) bands (ev): -4.5653 -4.5653 -4.5653 -4.5653 -4.3564 -4.3564 -4.3564 -4.3564 -2.1234 -2.1234 -2.1234 -2.1234 -1.9409 -1.9409 -1.9409 -1.9409 -1.7892 -1.7892 -1.7892 -1.7892 3.3267 3.3267 3.3267 3.3267 9.9034 9.9034 9.9034 9.9034 10.0777 10.0777 10.0777 10.0777 10.9564 10.9564 10.9564 10.9564 11.9249 11.9249 11.9249 11.9249 12.1194 12.1194 12.1194 12.1194 15.1718 15.1718 15.1718 15.1718 16.5847 16.5847 16.5847 16.5847 17.8029 17.8029 17.8029 17.8029 18.9884 18.9884 k = 0.1395 0.0806 0.3895 ( 3128 PWs) bands (ev): -4.5652 -4.5652 -4.5652 -4.5652 -4.3561 -4.3561 -4.3561 -4.3561 -2.1230 -2.1230 -2.1230 -2.1230 -1.9411 -1.9411 -1.9411 -1.9411 -1.7883 -1.7883 -1.7883 -1.7883 3.3508 3.3508 3.3508 3.3508 9.8943 9.8943 9.8943 9.8943 10.0807 10.0807 10.0807 10.0807 10.9438 10.9438 10.9438 10.9438 11.9109 11.9109 11.9109 11.9109 12.1180 12.1180 12.1180 12.1180 15.0619 15.0619 15.0619 15.0619 16.5777 16.5777 16.5777 16.5777 17.7616 17.7616 17.7616 17.7616 19.0326 19.0326 k = 0.1512 0.0873 0.3895 ( 3128 PWs) bands (ev): -4.5651 -4.5651 -4.5651 -4.5651 -4.3557 -4.3557 -4.3557 -4.3557 -2.1227 -2.1227 -2.1227 -2.1227 -1.9412 -1.9412 -1.9412 -1.9412 -1.7873 -1.7873 -1.7873 -1.7873 3.3766 3.3766 3.3766 3.3766 9.8839 9.8839 9.8839 9.8839 10.0845 10.0845 10.0845 10.0845 10.9300 10.9300 10.9300 10.9300 11.8966 11.8966 11.8966 11.8966 12.1162 12.1162 12.1162 12.1162 14.9499 14.9499 14.9499 14.9499 16.5688 16.5688 16.5688 16.5688 17.7220 17.7220 17.7220 17.7220 19.0691 19.0691 k = 0.1628 0.0940 0.3895 ( 3128 PWs) bands (ev): -4.5650 -4.5650 -4.5650 -4.5650 -4.3554 -4.3554 -4.3554 -4.3554 -2.1223 -2.1223 -2.1223 -2.1223 -1.9413 -1.9413 -1.9413 -1.9413 -1.7863 -1.7863 -1.7863 -1.7863 3.4041 3.4041 3.4041 3.4041 9.8724 9.8724 9.8724 9.8724 10.0890 10.0890 10.0890 10.0890 10.9153 10.9153 10.9153 10.9153 11.8821 11.8821 11.8821 11.8821 12.1139 12.1139 12.1139 12.1139 14.8364 14.8364 14.8364 14.8364 16.5580 16.5580 16.5580 16.5580 17.6844 17.6844 17.6844 17.6844 19.0976 19.0976 k = 0.1744 0.1007 0.3895 ( 3128 PWs) bands (ev): -4.5648 -4.5648 -4.5648 -4.5648 -4.3550 -4.3550 -4.3550 -4.3550 -2.1219 -2.1219 -2.1219 -2.1219 -1.9415 -1.9415 -1.9415 -1.9415 -1.7852 -1.7852 -1.7852 -1.7852 3.4331 3.4331 3.4331 3.4331 9.8596 9.8596 9.8596 9.8596 10.0942 10.0942 10.0942 10.0942 10.8995 10.8995 10.8995 10.8995 11.8675 11.8675 11.8675 11.8675 12.1111 12.1111 12.1111 12.1111 14.7223 14.7223 14.7223 14.7223 16.5450 16.5450 16.5450 16.5450 17.6494 17.6494 17.6494 17.6494 19.1185 19.1185 k = 0.1860 0.1074 0.3895 ( 3128 PWs) bands (ev): -4.5647 -4.5647 -4.5647 -4.5647 -4.3546 -4.3546 -4.3546 -4.3546 -2.1215 -2.1215 -2.1215 -2.1215 -1.9416 -1.9416 -1.9416 -1.9416 -1.7840 -1.7840 -1.7840 -1.7840 3.4636 3.4636 3.4636 3.4636 9.8457 9.8457 9.8457 9.8457 10.0999 10.0999 10.0999 10.0999 10.8830 10.8830 10.8830 10.8830 11.8528 11.8528 11.8528 11.8528 12.1079 12.1079 12.1079 12.1079 14.6081 14.6081 14.6081 14.6081 16.5299 16.5299 16.5299 16.5299 17.6173 17.6173 17.6173 17.6173 19.1324 19.1324 k = 0.1977 0.1141 0.3895 ( 3122 PWs) bands (ev): -4.5646 -4.5646 -4.5646 -4.5646 -4.3542 -4.3542 -4.3542 -4.3542 -2.1211 -2.1211 -2.1211 -2.1211 -1.9418 -1.9418 -1.9418 -1.9418 -1.7828 -1.7828 -1.7828 -1.7828 3.4955 3.4955 3.4955 3.4955 9.8307 9.8307 9.8307 9.8307 10.1062 10.1062 10.1062 10.1062 10.8657 10.8657 10.8657 10.8657 11.8380 11.8380 11.8380 11.8380 12.1042 12.1042 12.1042 12.1042 14.4944 14.4944 14.4944 14.4944 16.5124 16.5124 16.5124 16.5124 17.5886 17.5886 17.5886 17.5886 19.1402 19.1402 k = 0.2093 0.1208 0.3895 ( 3122 PWs) bands (ev): -4.5644 -4.5644 -4.5644 -4.5644 -4.3538 -4.3538 -4.3538 -4.3538 -2.1206 -2.1206 -2.1206 -2.1206 -1.9419 -1.9419 -1.9419 -1.9419 -1.7816 -1.7816 -1.7816 -1.7816 3.5285 3.5285 3.5285 3.5285 9.8147 9.8147 9.8147 9.8147 10.1130 10.1130 10.1130 10.1130 10.8478 10.8478 10.8478 10.8478 11.8232 11.8232 11.8232 11.8232 12.1000 12.1000 12.1000 12.1000 14.3817 14.3817 14.3817 14.3817 16.4927 16.4927 16.4927 16.4927 17.5636 17.5636 17.5636 17.5636 19.1428 19.1428 k = 0.2209 0.1276 0.3895 ( 3120 PWs) bands (ev): -4.5643 -4.5643 -4.5643 -4.5643 -4.3533 -4.3533 -4.3533 -4.3533 -2.1202 -2.1202 -2.1202 -2.1202 -1.9421 -1.9421 -1.9421 -1.9421 -1.7804 -1.7804 -1.7804 -1.7804 3.5627 3.5627 3.5627 3.5627 9.7976 9.7976 9.7976 9.7976 10.1202 10.1202 10.1202 10.1202 10.8295 10.8295 10.8295 10.8295 11.8083 11.8083 11.8083 11.8083 12.0953 12.0953 12.0953 12.0953 14.2706 14.2706 14.2706 14.2706 16.4707 16.4707 16.4707 16.4707 17.5424 17.5424 17.5424 17.5424 19.1414 19.1414 k = 0.2326 0.1343 0.3895 ( 3120 PWs) bands (ev): -4.5641 -4.5641 -4.5641 -4.5641 -4.3529 -4.3529 -4.3529 -4.3529 -2.1197 -2.1197 -2.1197 -2.1197 -1.9422 -1.9422 -1.9422 -1.9422 -1.7791 -1.7791 -1.7791 -1.7791 3.5978 3.5978 3.5978 3.5978 9.7795 9.7795 9.7795 9.7795 10.1278 10.1278 10.1278 10.1278 10.8110 10.8110 10.8110 10.8110 11.7934 11.7934 11.7934 11.7934 12.0902 12.0902 12.0902 12.0902 14.1616 14.1616 14.1616 14.1616 16.4465 16.4465 16.4465 16.4465 17.5251 17.5251 17.5251 17.5251 19.1367 19.1367 k = 0.2442 0.1410 0.3895 ( 3116 PWs) bands (ev): -4.5639 -4.5639 -4.5639 -4.5639 -4.3525 -4.3525 -4.3525 -4.3525 -2.1193 -2.1193 -2.1193 -2.1193 -1.9424 -1.9424 -1.9424 -1.9424 -1.7778 -1.7778 -1.7778 -1.7778 3.6337 3.6337 3.6337 3.6337 9.7604 9.7604 9.7604 9.7604 10.1356 10.1356 10.1356 10.1356 10.7924 10.7924 10.7924 10.7924 11.7785 11.7785 11.7785 11.7785 12.0846 12.0846 12.0846 12.0846 14.0550 14.0550 14.0550 14.0550 16.4205 16.4205 16.4205 16.4205 17.5118 17.5118 17.5118 17.5118 19.1297 19.1297 k = 0.2558 0.1477 0.3895 ( 3116 PWs) bands (ev): -4.5638 -4.5638 -4.5638 -4.5638 -4.3520 -4.3520 -4.3520 -4.3520 -2.1188 -2.1188 -2.1188 -2.1188 -1.9425 -1.9425 -1.9425 -1.9425 -1.7765 -1.7765 -1.7765 -1.7765 3.6702 3.6702 3.6702 3.6702 9.7405 9.7405 9.7405 9.7405 10.1437 10.1437 10.1437 10.1437 10.7739 10.7739 10.7739 10.7739 11.7635 11.7635 11.7635 11.7635 12.0785 12.0785 12.0785 12.0785 13.9514 13.9514 13.9514 13.9514 16.3927 16.3927 16.3927 16.3927 17.5024 17.5024 17.5024 17.5024 19.1210 19.1210 k = 0.2674 0.1544 0.3895 ( 3132 PWs) bands (ev): -4.5636 -4.5636 -4.5636 -4.5636 -4.3516 -4.3516 -4.3516 -4.3516 -2.1183 -2.1183 -2.1183 -2.1183 -1.9427 -1.9427 -1.9427 -1.9427 -1.7753 -1.7753 -1.7753 -1.7753 3.7072 3.7072 3.7072 3.7072 9.7198 9.7198 9.7198 9.7198 10.1519 10.1519 10.1519 10.1519 10.7557 10.7557 10.7557 10.7557 11.7486 11.7486 11.7486 11.7486 12.0720 12.0720 12.0720 12.0720 13.8512 13.8512 13.8512 13.8512 16.3636 16.3636 16.3636 16.3636 17.4966 17.4966 17.4966 17.4966 19.1112 19.1112 k = 0.2791 0.1611 0.3895 ( 3130 PWs) bands (ev): -4.5635 -4.5635 -4.5635 -4.5635 -4.3512 -4.3512 -4.3512 -4.3512 -2.1179 -2.1179 -2.1179 -2.1179 -1.9428 -1.9428 -1.9428 -1.9428 -1.7740 -1.7740 -1.7740 -1.7740 3.7444 3.7444 3.7444 3.7444 9.6983 9.6983 9.6983 9.6983 10.1603 10.1603 10.1603 10.1603 10.7378 10.7378 10.7378 10.7378 11.7336 11.7336 11.7336 11.7336 12.0650 12.0650 12.0650 12.0650 13.7546 13.7546 13.7546 13.7546 16.3334 16.3334 16.3334 16.3335 17.4942 17.4942 17.4942 17.4942 19.1007 19.1007 k = 0.2907 0.1678 0.3895 ( 3130 PWs) bands (ev): -4.5633 -4.5633 -4.5633 -4.5633 -4.3508 -4.3508 -4.3508 -4.3508 -2.1174 -2.1174 -2.1174 -2.1174 -1.9430 -1.9430 -1.9430 -1.9430 -1.7727 -1.7727 -1.7727 -1.7727 3.7817 3.7817 3.7817 3.7817 9.6762 9.6762 9.6762 9.6762 10.1687 10.1687 10.1687 10.1687 10.7206 10.7206 10.7206 10.7206 11.7185 11.7185 11.7185 11.7185 12.0577 12.0577 12.0577 12.0577 13.6620 13.6620 13.6620 13.6620 16.3026 16.3026 16.3026 16.3026 17.4950 17.4950 17.4950 17.4950 19.0898 19.0898 k = 0.3023 0.1745 0.3895 ( 3130 PWs) bands (ev): -4.5631 -4.5631 -4.5631 -4.5631 -4.3504 -4.3504 -4.3504 -4.3504 -2.1170 -2.1170 -2.1170 -2.1170 -1.9431 -1.9431 -1.9431 -1.9431 -1.7714 -1.7714 -1.7714 -1.7714 3.8189 3.8189 3.8189 3.8189 9.6536 9.6536 9.6536 9.6536 10.1770 10.1770 10.1770 10.1770 10.7040 10.7040 10.7040 10.7040 11.7035 11.7035 11.7035 11.7035 12.0499 12.0499 12.0499 12.0499 13.5738 13.5738 13.5738 13.5738 16.2714 16.2714 16.2714 16.2714 17.4986 17.4986 17.4986 17.4986 19.0790 19.0790 k = 0.3140 0.1813 0.3895 ( 3130 PWs) bands (ev): -4.5630 -4.5630 -4.5630 -4.5630 -4.3500 -4.3500 -4.3500 -4.3500 -2.1165 -2.1165 -2.1165 -2.1165 -1.9433 -1.9433 -1.9433 -1.9433 -1.7702 -1.7702 -1.7702 -1.7702 3.8557 3.8557 3.8557 3.8557 9.6306 9.6306 9.6306 9.6306 10.1853 10.1853 10.1853 10.1853 10.6882 10.6882 10.6882 10.6882 11.6885 11.6885 11.6885 11.6885 12.0419 12.0419 12.0419 12.0419 13.4902 13.4902 13.4902 13.4902 16.2403 16.2403 16.2403 16.2403 17.5047 17.5047 17.5047 17.5047 19.0682 19.0682 k = 0.3256 0.1880 0.3895 ( 3130 PWs) bands (ev): -4.5628 -4.5628 -4.5628 -4.5628 -4.3496 -4.3496 -4.3496 -4.3496 -2.1161 -2.1161 -2.1161 -2.1161 -1.9434 -1.9434 -1.9434 -1.9434 -1.7690 -1.7690 -1.7690 -1.7690 3.8920 3.8920 3.8920 3.8920 9.6073 9.6073 9.6073 9.6073 10.1934 10.1934 10.1934 10.1934 10.6733 10.6733 10.6733 10.6733 11.6736 11.6736 11.6736 11.6736 12.0336 12.0336 12.0336 12.0336 13.4115 13.4115 13.4115 13.4115 16.2095 16.2095 16.2095 16.2095 17.5128 17.5128 17.5128 17.5128 19.0578 19.0578 k = 0.3372 0.1947 0.3895 ( 3126 PWs) bands (ev): -4.5627 -4.5627 -4.5627 -4.5627 -4.3492 -4.3492 -4.3492 -4.3492 -2.1156 -2.1156 -2.1156 -2.1156 -1.9435 -1.9435 -1.9435 -1.9435 -1.7679 -1.7679 -1.7679 -1.7679 3.9275 3.9275 3.9275 3.9275 9.5840 9.5840 9.5840 9.5840 10.2013 10.2013 10.2013 10.2013 10.6593 10.6593 10.6593 10.6593 11.6589 11.6589 11.6589 11.6589 12.0252 12.0252 12.0252 12.0252 13.3377 13.3377 13.3377 13.3377 16.1794 16.1794 16.1794 16.1794 17.5227 17.5227 17.5227 17.5227 19.0478 19.0478 k = 0.3488 0.2014 0.3895 ( 3136 PWs) bands (ev): -4.5625 -4.5625 -4.5625 -4.5625 -4.3488 -4.3488 -4.3488 -4.3488 -2.1152 -2.1152 -2.1152 -2.1152 -1.9436 -1.9436 -1.9436 -1.9436 -1.7668 -1.7668 -1.7668 -1.7668 3.9620 3.9620 3.9620 3.9620 9.5608 9.5608 9.5608 9.5608 10.2090 10.2090 10.2090 10.2090 10.6464 10.6464 10.6464 10.6464 11.6443 11.6443 11.6443 11.6443 12.0166 12.0166 12.0166 12.0166 13.2692 13.2692 13.2692 13.2692 16.1502 16.1502 16.1502 16.1502 17.5339 17.5339 17.5339 17.5339 19.0383 19.0383 k = 0.3605 0.2081 0.3895 ( 3144 PWs) bands (ev): -4.5624 -4.5624 -4.5624 -4.5624 -4.3485 -4.3485 -4.3485 -4.3485 -2.1149 -2.1149 -2.1149 -2.1149 -1.9437 -1.9437 -1.9437 -1.9437 -1.7657 -1.7657 -1.7657 -1.7657 3.9952 3.9952 3.9952 3.9952 9.5380 9.5380 9.5380 9.5380 10.2163 10.2163 10.2163 10.2163 10.6346 10.6346 10.6346 10.6346 11.6300 11.6300 11.6300 11.6300 12.0080 12.0080 12.0080 12.0080 13.2059 13.2059 13.2059 13.2059 16.1223 16.1223 16.1223 16.1223 17.5462 17.5462 17.5462 17.5462 19.0294 19.0294 k = 0.3721 0.2148 0.3895 ( 3144 PWs) bands (ev): -4.5622 -4.5622 -4.5622 -4.5622 -4.3482 -4.3482 -4.3482 -4.3482 -2.1145 -2.1145 -2.1145 -2.1145 -1.9438 -1.9438 -1.9438 -1.9438 -1.7647 -1.7647 -1.7647 -1.7647 4.0269 4.0269 4.0269 4.0269 9.5157 9.5157 9.5157 9.5157 10.2232 10.2232 10.2232 10.2232 10.6238 10.6238 10.6238 10.6238 11.6162 11.6162 11.6162 11.6162 11.9995 11.9995 11.9995 11.9995 13.1481 13.1481 13.1481 13.1481 16.0958 16.0958 16.0958 16.0958 17.5590 17.5590 17.5590 17.5590 19.0210 19.0210 k = 0.3837 0.2215 0.3895 ( 3154 PWs) bands (ev): -4.5621 -4.5621 -4.5621 -4.5621 -4.3479 -4.3479 -4.3479 -4.3479 -2.1141 -2.1141 -2.1141 -2.1141 -1.9439 -1.9439 -1.9439 -1.9439 -1.7638 -1.7638 -1.7638 -1.7638 4.0569 4.0569 4.0569 4.0569 9.4942 9.4942 9.4942 9.4942 10.2297 10.2297 10.2297 10.2297 10.6140 10.6140 10.6140 10.6140 11.6029 11.6029 11.6029 11.6029 11.9911 11.9911 11.9911 11.9911 13.0955 13.0955 13.0955 13.0955 16.0710 16.0710 16.0710 16.0710 17.5721 17.5721 17.5721 17.5721 19.0133 19.0133 k = 0.3953 0.2283 0.3895 ( 3146 PWs) bands (ev): -4.5620 -4.5620 -4.5620 -4.5620 -4.3476 -4.3476 -4.3476 -4.3476 -2.1138 -2.1138 -2.1138 -2.1138 -1.9440 -1.9440 -1.9440 -1.9440 -1.7630 -1.7630 -1.7630 -1.7630 4.0849 4.0849 4.0849 4.0849 9.4738 9.4738 9.4738 9.4738 10.2357 10.2357 10.2357 10.2357 10.6054 10.6054 10.6054 10.6054 11.5902 11.5902 11.5902 11.5902 11.9832 11.9832 11.9832 11.9832 13.0484 13.0484 13.0484 13.0484 16.0480 16.0480 16.0480 16.0480 17.5852 17.5852 17.5852 17.5852 19.0062 19.0062 k = 0.4070 0.2350 0.3895 ( 3144 PWs) bands (ev): -4.5619 -4.5619 -4.5619 -4.5619 -4.3474 -4.3474 -4.3474 -4.3474 -2.1135 -2.1135 -2.1135 -2.1135 -1.9441 -1.9441 -1.9441 -1.9441 -1.7622 -1.7622 -1.7622 -1.7622 4.1107 4.1107 4.1107 4.1107 9.4548 9.4548 9.4548 9.4548 10.2411 10.2411 10.2411 10.2411 10.5978 10.5978 10.5978 10.5978 11.5783 11.5783 11.5783 11.5783 11.9756 11.9756 11.9756 11.9756 13.0066 13.0066 13.0066 13.0066 16.0270 16.0270 16.0270 16.0270 17.5979 17.5979 17.5979 17.5979 18.9998 18.9998 k = 0.4186 0.2417 0.3895 ( 3146 PWs) bands (ev): -4.5618 -4.5618 -4.5618 -4.5618 -4.3472 -4.3472 -4.3472 -4.3472 -2.1133 -2.1133 -2.1133 -2.1133 -1.9442 -1.9442 -1.9442 -1.9442 -1.7615 -1.7615 -1.7615 -1.7615 4.1340 4.1340 4.1340 4.1340 9.4372 9.4372 9.4372 9.4372 10.2460 10.2460 10.2460 10.2460 10.5912 10.5912 10.5912 10.5912 11.5673 11.5673 11.5673 11.5673 11.9686 11.9686 11.9686 11.9686 12.9700 12.9700 12.9700 12.9700 16.0083 16.0083 16.0083 16.0083 17.6099 17.6099 17.6099 17.6099 18.9941 18.9941 k = 0.4302 0.2484 0.3895 ( 3142 PWs) bands (ev): -4.5617 -4.5617 -4.5617 -4.5617 -4.3470 -4.3470 -4.3470 -4.3470 -2.1131 -2.1131 -2.1131 -2.1131 -1.9442 -1.9442 -1.9442 -1.9442 -1.7609 -1.7609 -1.7609 -1.7609 4.1547 4.1547 4.1547 4.1547 9.4215 9.4215 9.4215 9.4215 10.2503 10.2503 10.2503 10.2503 10.5856 10.5856 10.5856 10.5856 11.5575 11.5575 11.5575 11.5575 11.9622 11.9622 11.9622 11.9622 12.9385 12.9385 12.9385 12.9385 15.9917 15.9917 15.9917 15.9917 17.6210 17.6210 17.6210 17.6210 18.9891 18.9891 k = 0.4419 0.2551 0.3895 ( 3146 PWs) bands (ev): -4.5616 -4.5616 -4.5616 -4.5616 -4.3468 -4.3468 -4.3468 -4.3468 -2.1129 -2.1129 -2.1129 -2.1129 -1.9443 -1.9443 -1.9443 -1.9443 -1.7604 -1.7604 -1.7604 -1.7604 4.1726 4.1726 4.1726 4.1726 9.4077 9.4077 9.4077 9.4077 10.2540 10.2540 10.2540 10.2540 10.5810 10.5810 10.5810 10.5810 11.5489 11.5489 11.5489 11.5489 11.9567 11.9567 11.9567 11.9567 12.9122 12.9122 12.9122 12.9122 15.9776 15.9776 15.9776 15.9776 17.6308 17.6308 17.6308 17.6308 18.9849 18.9849 k = 0.4535 0.2618 0.3895 ( 3146 PWs) bands (ev): -4.5616 -4.5616 -4.5616 -4.5616 -4.3467 -4.3467 -4.3467 -4.3467 -2.1127 -2.1127 -2.1127 -2.1127 -1.9443 -1.9443 -1.9443 -1.9443 -1.7599 -1.7599 -1.7599 -1.7599 4.1875 4.1875 4.1875 4.1875 9.3962 9.3962 9.3962 9.3962 10.2570 10.2570 10.2570 10.2570 10.5772 10.5772 10.5772 10.5772 11.5416 11.5416 11.5416 11.5416 11.9520 11.9520 11.9520 11.9520 12.8908 12.8908 12.8908 12.8908 15.9659 15.9659 15.9659 15.9659 17.6392 17.6392 17.6392 17.6392 18.9814 18.9814 k = 0.4651 0.2685 0.3895 ( 3150 PWs) bands (ev): -4.5615 -4.5615 -4.5615 -4.5615 -4.3466 -4.3466 -4.3466 -4.3466 -2.1126 -2.1126 -2.1126 -2.1126 -1.9444 -1.9444 -1.9444 -1.9444 -1.7596 -1.7596 -1.7596 -1.7596 4.1992 4.1992 4.1992 4.1992 9.3870 9.3870 9.3870 9.3870 10.2594 10.2594 10.2594 10.2594 10.5744 10.5744 10.5744 10.5744 11.5359 11.5359 11.5359 11.5359 11.9482 11.9482 11.9482 11.9482 12.8742 12.8742 12.8742 12.8742 15.9567 15.9567 15.9567 15.9567 17.6459 17.6459 17.6459 17.6459 18.9786 18.9786 k = 0.4767 0.2752 0.3895 ( 3146 PWs) bands (ev): -4.5615 -4.5615 -4.5615 -4.5615 -4.3465 -4.3465 -4.3465 -4.3465 -2.1125 -2.1125 -2.1125 -2.1125 -1.9444 -1.9444 -1.9444 -1.9444 -1.7594 -1.7594 -1.7594 -1.7594 4.2077 4.2077 4.2077 4.2077 9.3804 9.3804 9.3804 9.3804 10.2611 10.2611 10.2611 10.2611 10.5724 10.5724 10.5724 10.5724 11.5317 11.5317 11.5317 11.5317 11.9455 11.9455 11.9455 11.9455 12.8625 12.8625 12.8625 12.8625 15.9502 15.9502 15.9502 15.9502 17.6508 17.6508 17.6508 17.6508 18.9767 18.9767 k = 0.4884 0.2820 0.3895 ( 3152 PWs) bands (ev): -4.5615 -4.5615 -4.5615 -4.5615 -4.3464 -4.3464 -4.3464 -4.3464 -2.1124 -2.1124 -2.1124 -2.1124 -1.9444 -1.9444 -1.9444 -1.9444 -1.7592 -1.7592 -1.7592 -1.7592 4.2128 4.2128 4.2128 4.2128 9.3763 9.3763 9.3763 9.3763 10.2621 10.2621 10.2621 10.2621 10.5711 10.5711 10.5711 10.5711 11.5291 11.5291 11.5291 11.5291 11.9439 11.9439 11.9439 11.9439 12.8555 12.8555 12.8555 12.8555 15.9462 15.9462 15.9462 15.9462 17.6538 17.6538 17.6538 17.6538 18.9755 18.9755 k = 0.5000 0.2887 0.3895 ( 3152 PWs) bands (ev): -4.5615 -4.5615 -4.5615 -4.5615 -4.3464 -4.3464 -4.3464 -4.3464 -2.1124 -2.1124 -2.1124 -2.1124 -1.9444 -1.9444 -1.9444 -1.9444 -1.7592 -1.7592 -1.7592 -1.7592 4.2145 4.2145 4.2145 4.2145 9.3750 9.3750 9.3750 9.3750 10.2625 10.2625 10.2625 10.2625 10.5707 10.5707 10.5707 10.5707 11.5283 11.5283 11.5283 11.5283 11.9433 11.9433 11.9433 11.9433 12.8531 12.8531 12.8531 12.8531 15.9449 15.9449 15.9449 15.9449 17.6548 17.6548 17.6548 17.6548 18.9751 18.9751 k = 0.5000 0.2887 0.3895 ( 3152 PWs) bands (ev): -4.5615 -4.5615 -4.5615 -4.5615 -4.3464 -4.3464 -4.3464 -4.3464 -2.1124 -2.1124 -2.1124 -2.1124 -1.9444 -1.9444 -1.9444 -1.9444 -1.7592 -1.7592 -1.7592 -1.7592 4.2145 4.2145 4.2145 4.2145 9.3750 9.3750 9.3750 9.3750 10.2625 10.2625 10.2625 10.2625 10.5707 10.5707 10.5707 10.5707 11.5283 11.5283 11.5283 11.5283 11.9433 11.9433 11.9433 11.9433 12.8531 12.8531 12.8531 12.8531 15.9449 15.9449 15.9449 15.9449 17.6548 17.6548 17.6548 17.6548 18.9751 18.9751 k = 0.4933 0.3002 0.3895 ( 3148 PWs) bands (ev): -4.5620 -4.5620 -4.5610 -4.5610 -4.3467 -4.3467 -4.3461 -4.3461 -2.1132 -2.1132 -2.1116 -2.1116 -1.9452 -1.9452 -1.9437 -1.9437 -1.7593 -1.7593 -1.7590 -1.7590 4.2136 4.2136 4.2164 4.2164 9.3580 9.3580 9.3869 9.3869 10.2594 10.2594 10.2707 10.2707 10.5687 10.5687 10.5755 10.5755 11.5231 11.5231 11.5329 11.5329 11.9381 11.9381 11.9477 11.9477 12.8501 12.8501 12.8577 12.8577 15.9204 15.9204 15.9274 15.9274 17.6603 17.6603 17.6843 17.6843 18.9694 18.9694 k = 0.4867 0.3118 0.3895 ( 3144 PWs) bands (ev): -4.5625 -4.5625 -4.5605 -4.5605 -4.3470 -4.3470 -4.3457 -4.3457 -2.1139 -2.1139 -2.1108 -2.1108 -1.9459 -1.9459 -1.9429 -1.9429 -1.7594 -1.7594 -1.7589 -1.7589 4.2138 4.2138 4.2194 4.2194 9.3365 9.3365 9.3932 9.3932 10.2622 10.2622 10.2829 10.2829 10.5691 10.5691 10.5836 10.5836 11.5173 11.5173 11.5371 11.5371 11.9322 11.9322 11.9514 11.9514 12.8486 12.8486 12.8639 12.8639 15.8575 15.8575 15.8703 15.8703 17.6979 17.6979 17.7445 17.7445 18.9802 18.9802 k = 0.4800 0.3233 0.3895 ( 3144 PWs) bands (ev): -4.5629 -4.5629 -4.5600 -4.5600 -4.3473 -4.3473 -4.3454 -4.3454 -2.1147 -2.1147 -2.1100 -2.1100 -1.9466 -1.9466 -1.9421 -1.9421 -1.7595 -1.7595 -1.7587 -1.7587 4.2150 4.2150 4.2234 4.2234 9.3112 9.3112 9.3939 9.3939 10.2711 10.2711 10.2978 10.2978 10.5717 10.5717 10.5956 10.5956 11.5112 11.5112 11.5407 11.5407 11.9255 11.9255 11.9544 11.9544 12.8486 12.8486 12.8715 12.8715 15.7636 15.7636 15.7805 15.7805 17.7599 17.7599 17.8270 17.8270 19.0088 19.0088 k = 0.4733 0.3349 0.3895 ( 3144 PWs) bands (ev): -4.5634 -4.5634 -4.5595 -4.5595 -4.3476 -4.3476 -4.3450 -4.3450 -2.1154 -2.1154 -2.1092 -2.1092 -1.9472 -1.9472 -1.9414 -1.9414 -1.7596 -1.7596 -1.7586 -1.7586 4.2172 4.2172 4.2284 4.2284 9.2830 9.2830 9.3892 9.3892 10.2858 10.2858 10.3137 10.3137 10.5765 10.5765 10.6122 10.6122 11.5047 11.5047 11.5438 11.5438 11.9183 11.9183 11.9567 11.9567 12.8501 12.8501 12.8805 12.8805 15.6468 15.6468 15.6664 15.6664 17.8368 17.8368 17.9216 17.9216 19.0571 19.0571 k = 0.4667 0.3464 0.3895 ( 3136 PWs) bands (ev): -4.5638 -4.5638 -4.5590 -4.5590 -4.3479 -4.3479 -4.3447 -4.3447 -2.1161 -2.1161 -2.1084 -2.1084 -1.9479 -1.9479 -1.9406 -1.9406 -1.7597 -1.7597 -1.7584 -1.7584 4.2203 4.2203 4.2343 4.2343 9.2526 9.2526 9.3797 9.3797 10.3056 10.3056 10.3294 10.3294 10.5835 10.5835 10.6339 10.6339 11.4979 11.4979 11.5465 11.5465 11.9105 11.9105 11.9584 11.9584 12.8527 12.8527 12.8907 12.8907 15.5141 15.5141 15.5354 15.5354 17.9201 17.9201 18.0189 18.0189 19.1272 19.1272 k = 0.4600 0.3580 0.3895 ( 3144 PWs) bands (ev): -4.5643 -4.5643 -4.5585 -4.5585 -4.3481 -4.3481 -4.3443 -4.3443 -2.1167 -2.1167 -2.1076 -2.1076 -1.9485 -1.9485 -1.9398 -1.9398 -1.7598 -1.7598 -1.7582 -1.7582 4.2245 4.2245 4.2411 4.2411 9.2208 9.2208 9.3660 9.3660 10.3292 10.3292 10.3437 10.3437 10.5930 10.5930 10.6610 10.6610 11.4911 11.4911 11.5489 11.5489 11.9022 11.9022 11.9597 11.9597 12.8565 12.8565 12.9021 12.9021 15.3710 15.3710 15.3935 15.3935 18.0033 18.0033 18.1117 18.1117 19.2208 19.2208 k = 0.4533 0.3695 0.3895 ( 3140 PWs) bands (ev): -4.5647 -4.5647 -4.5580 -4.5580 -4.3484 -4.3484 -4.3439 -4.3439 -2.1174 -2.1174 -2.1068 -2.1068 -1.9491 -1.9491 -1.9390 -1.9390 -1.7598 -1.7598 -1.7581 -1.7581 4.2294 4.2294 4.2488 4.2488 9.1880 9.1880 9.3490 9.3490 10.3553 10.3553 10.3561 10.3561 10.6057 10.6057 10.6935 10.6935 11.4844 11.4844 11.5511 11.5511 11.8935 11.8935 11.9608 11.9608 12.8611 12.8611 12.9144 12.9144 15.2215 15.2215 15.2449 15.2449 18.0825 18.0825 18.1956 18.1956 19.3381 19.3381 k = 0.4467 0.3811 0.3895 ( 3144 PWs) bands (ev): -4.5651 -4.5651 -4.5576 -4.5576 -4.3486 -4.3486 -4.3436 -4.3436 -2.1180 -2.1180 -2.1060 -2.1060 -1.9496 -1.9496 -1.9383 -1.9383 -1.7599 -1.7599 -1.7579 -1.7579 4.2352 4.2352 4.2572 4.2572 9.1548 9.1548 9.3295 9.3295 10.3663 10.3663 10.3821 10.3821 10.6222 10.6222 10.7308 10.7308 11.4780 11.4780 11.5533 11.5533 11.8846 11.8846 11.9618 11.9618 12.8662 12.8662 12.9275 12.9275 15.0684 15.0684 15.0928 15.0928 18.1557 18.1557 18.2689 18.2689 19.4777 19.4777 k = 0.4400 0.3926 0.3895 ( 3144 PWs) bands (ev): -4.5655 -4.5655 -4.5571 -4.5571 -4.3488 -4.3488 -4.3432 -4.3432 -2.1185 -2.1185 -2.1052 -2.1052 -1.9501 -1.9501 -1.9375 -1.9375 -1.7599 -1.7599 -1.7577 -1.7577 4.2418 4.2418 4.2662 4.2662 9.1217 9.1217 9.3082 9.3082 10.3745 10.3745 10.4078 10.4078 10.6432 10.6432 10.7723 10.7723 11.4721 11.4721 11.5556 11.5556 11.8755 11.8755 11.9631 11.9631 12.8715 12.8715 12.9412 12.9412 14.9141 14.9141 14.9393 14.9393 18.2225 18.2225 18.3322 18.3322 19.6366 19.6366 k = 0.4333 0.4041 0.3895 ( 3140 PWs) bands (ev): -4.5658 -4.5658 -4.5566 -4.5566 -4.3490 -4.3490 -4.3428 -4.3428 -2.1190 -2.1190 -2.1045 -2.1045 -1.9506 -1.9506 -1.9368 -1.9368 -1.7599 -1.7599 -1.7575 -1.7575 4.2489 4.2489 4.2758 4.2758 9.0891 9.0891 9.2857 9.2857 10.3810 10.3810 10.4310 10.4310 10.6693 10.6693 10.8169 10.8169 11.4669 11.4669 11.5580 11.5580 11.8664 11.8664 11.9650 11.9650 12.8768 12.8768 12.9553 12.9553 14.7602 14.7602 14.7864 14.7864 18.2833 18.2833 18.3870 18.3870 19.8112 19.8112 k = 0.4267 0.4157 0.3895 ( 3138 PWs) bands (ev): -4.5662 -4.5662 -4.5562 -4.5562 -4.3491 -4.3491 -4.3425 -4.3425 -2.1195 -2.1195 -2.1038 -2.1038 -1.9510 -1.9510 -1.9361 -1.9361 -1.7599 -1.7599 -1.7573 -1.7573 4.2567 4.2567 4.2859 4.2859 9.0572 9.0572 9.2627 9.2627 10.3860 10.3860 10.4508 10.4508 10.7006 10.7006 10.8637 10.8637 11.4627 11.4627 11.5608 11.5608 11.8573 11.8573 11.9679 11.9679 12.8814 12.8814 12.9697 12.9697 14.6082 14.6082 14.6352 14.6352 18.3387 18.3387 18.4352 18.4352 19.9980 19.9980 k = 0.4200 0.4272 0.3895 ( 3140 PWs) bands (ev): -4.5665 -4.5665 -4.5558 -4.5558 -4.3493 -4.3493 -4.3421 -4.3421 -2.1199 -2.1199 -2.1031 -2.1031 -1.9514 -1.9514 -1.9355 -1.9355 -1.7599 -1.7599 -1.7571 -1.7571 4.2648 4.2648 4.2963 4.2963 9.0262 9.0263 9.2397 9.2397 10.3898 10.3898 10.4669 10.4669 10.7364 10.7364 10.9119 10.9119 11.4596 11.4596 11.5640 11.5640 11.8483 11.8483 11.9721 11.9721 12.8850 12.8850 12.9842 12.9842 14.4593 14.4593 14.4871 14.4871 18.3896 18.3896 18.4783 18.4783 20.1937 20.1937 k = 0.4133 0.4388 0.3895 ( 3140 PWs) bands (ev): -4.5668 -4.5668 -4.5554 -4.5554 -4.3494 -4.3494 -4.3418 -4.3418 -2.1203 -2.1203 -2.1024 -2.1024 -1.9518 -1.9518 -1.9348 -1.9348 -1.7599 -1.7599 -1.7569 -1.7569 4.2733 4.2733 4.3070 4.3070 8.9966 8.9966 9.2170 9.2170 10.3928 10.3928 10.4797 10.4797 10.7755 10.7755 10.9605 10.9605 11.4578 11.4578 11.5677 11.5677 11.8396 11.8396 11.9783 11.9783 12.8868 12.8868 12.9986 12.9986 14.3149 14.3149 14.3431 14.3431 18.4365 18.4365 18.5176 18.5176 20.3957 20.3957 k = 0.4067 0.4503 0.3895 ( 3140 PWs) bands (ev): -4.5670 -4.5670 -4.5551 -4.5551 -4.3495 -4.3495 -4.3415 -4.3415 -2.1207 -2.1207 -2.1018 -2.1018 -1.9522 -1.9522 -1.9342 -1.9342 -1.7598 -1.7598 -1.7567 -1.7567 4.2820 4.2820 4.3177 4.3177 8.9685 8.9685 9.1949 9.1949 10.3950 10.3950 10.4897 10.4897 10.8168 10.8168 11.0086 11.0086 11.4575 11.4575 11.5718 11.5718 11.8314 11.8314 11.9872 11.9872 12.8861 12.8861 13.0126 13.0126 14.1761 14.1761 14.2042 14.2042 18.4801 18.4801 18.5538 18.5538 20.6015 20.6015 k = 0.4000 0.4619 0.3895 ( 3136 PWs) bands (ev): -4.5673 -4.5673 -4.5547 -4.5547 -4.3496 -4.3496 -4.3412 -4.3412 -2.1210 -2.1210 -2.1012 -2.1012 -1.9525 -1.9525 -1.9337 -1.9337 -1.7598 -1.7598 -1.7565 -1.7565 4.2908 4.2908 4.3283 4.3283 8.9420 8.9420 9.1739 9.1739 10.3967 10.3967 10.4975 10.4975 10.8588 10.8588 11.0554 11.0554 11.4588 11.4588 11.5762 11.5762 11.8237 11.8237 11.9994 11.9994 12.8819 12.8819 13.0261 13.0261 14.0445 14.0445 14.0713 14.0713 18.5205 18.5205 18.5875 18.5875 20.8087 20.8087 k = 0.3933 0.4734 0.3895 ( 3136 PWs) bands (ev): -4.5675 -4.5675 -4.5544 -4.5544 -4.3496 -4.3496 -4.3410 -4.3410 -2.1213 -2.1213 -2.1007 -2.1007 -1.9528 -1.9528 -1.9332 -1.9332 -1.7597 -1.7597 -1.7563 -1.7563 4.2994 4.2994 4.3388 4.3388 8.9174 8.9174 9.1540 9.1540 10.3979 10.3979 10.5034 10.5034 10.9004 10.9004 11.1000 11.1000 11.4616 11.4616 11.5807 11.5807 11.8169 11.8169 12.0157 12.0157 12.8729 12.8729 13.0388 13.0388 13.9217 13.9217 13.9456 13.9456 18.5579 18.5579 18.6188 18.6188 21.0152 21.0152 k = 0.3867 0.4850 0.3895 ( 3136 PWs) bands (ev): -4.5677 -4.5677 -4.5542 -4.5542 -4.3497 -4.3497 -4.3407 -4.3407 -2.1215 -2.1215 -2.1002 -2.1002 -1.9530 -1.9530 -1.9327 -1.9327 -1.7597 -1.7597 -1.7561 -1.7561 4.3079 4.3079 4.3488 4.3488 8.8948 8.8948 9.1357 9.1357 10.3987 10.3987 10.5080 10.5080 10.9404 10.9404 11.1417 11.1417 11.4658 11.4658 11.5851 11.5851 11.8110 11.8110 12.0369 12.0369 12.8577 12.8577 13.0503 13.0503 13.8097 13.8097 13.8283 13.8283 18.5923 18.5923 18.6479 18.6479 21.2183 21.2183 k = 0.3800 0.4965 0.3895 ( 3140 PWs) bands (ev): -4.5679 -4.5679 -4.5539 -4.5539 -4.3498 -4.3498 -4.3405 -4.3405 -2.1217 -2.1217 -2.0998 -2.0998 -1.9532 -1.9532 -1.9323 -1.9323 -1.7596 -1.7596 -1.7560 -1.7560 4.3159 4.3159 4.3583 4.3583 8.8745 8.8745 9.1189 9.1189 10.3993 10.3993 10.5113 10.5113 10.9779 10.9779 11.1798 11.1798 11.4711 11.4711 11.5890 11.5890 11.8062 11.8062 12.0638 12.0638 12.8346 12.8346 13.0601 13.0601 13.7105 13.7105 13.7209 13.7209 18.6237 18.6237 18.6746 18.6746 21.4155 21.4155 k = 0.3733 0.5081 0.3895 ( 3138 PWs) bands (ev): -4.5680 -4.5680 -4.5537 -4.5537 -4.3498 -4.3498 -4.3403 -4.3403 -2.1219 -2.1219 -2.0994 -2.0994 -1.9534 -1.9534 -1.9320 -1.9320 -1.7596 -1.7596 -1.7558 -1.7558 4.3234 4.3234 4.3671 4.3671 8.8564 8.8564 9.1040 9.1040 10.3996 10.3996 10.5137 10.5137 11.0121 11.0121 11.2139 11.2139 11.4772 11.4772 11.5921 11.5921 11.8027 11.8027 12.0967 12.0967 12.8022 12.8022 13.0677 13.0677 13.6249 13.6249 13.6260 13.6260 18.6517 18.6517 18.6986 18.6986 21.6035 21.6035 k = 0.3667 0.5196 0.3895 ( 3126 PWs) bands (ev): -4.5681 -4.5681 -4.5535 -4.5535 -4.3498 -4.3498 -4.3401 -4.3401 -2.1221 -2.1221 -2.0991 -2.0991 -1.9536 -1.9536 -1.9317 -1.9317 -1.7595 -1.7595 -1.7557 -1.7557 4.3302 4.3302 4.3750 4.3750 8.8408 8.8408 9.0911 9.0911 10.3998 10.3998 10.5154 10.5154 11.0422 11.0422 11.2435 11.2435 11.4836 11.4836 11.5942 11.5942 11.8005 11.8005 12.1359 12.1359 12.7598 12.7598 13.0723 13.0723 13.5423 13.5423 13.5576 13.5576 18.6762 18.6762 18.7199 18.7199 21.7790 21.7790 k = 0.3600 0.5312 0.3895 ( 3126 PWs) bands (ev): -4.5682 -4.5682 -4.5533 -4.5533 -4.3498 -4.3498 -4.3400 -4.3400 -2.1222 -2.1222 -2.0988 -2.0988 -1.9537 -1.9537 -1.9315 -1.9315 -1.7594 -1.7594 -1.7555 -1.7555 4.3361 4.3361 4.3818 4.3818 8.8279 8.8279 9.0803 9.0803 10.3999 10.3999 10.5164 10.5164 11.0677 11.0677 11.2685 11.2685 11.4895 11.4895 11.5952 11.5952 11.7996 11.7996 12.1809 12.1809 12.7081 12.7081 13.0732 13.0732 13.4752 13.4752 13.5055 13.5055 18.6968 18.6968 18.7380 18.7380 21.9383 21.9383 k = 0.3533 0.5427 0.3895 ( 3130 PWs) bands (ev): -4.5683 -4.5683 -4.5532 -4.5532 -4.3499 -4.3499 -4.3398 -4.3398 -2.1223 -2.1223 -2.0986 -2.0986 -1.9538 -1.9538 -1.9313 -1.9313 -1.7594 -1.7594 -1.7554 -1.7554 4.3410 4.3410 4.3874 4.3874 8.8176 8.8176 9.0717 9.0717 10.3999 10.3999 10.5171 10.5171 11.0881 11.0881 11.2886 11.2886 11.4944 11.4944 11.5951 11.5951 11.7995 11.7995 12.2308 12.2308 12.6493 12.6493 13.0702 13.0702 13.4249 13.4249 13.4684 13.4684 18.7133 18.7133 18.7525 18.7526 22.0782 22.0782 k = 0.3467 0.5543 0.3895 ( 3132 PWs) bands (ev): -4.5683 -4.5683 -4.5531 -4.5531 -4.3499 -4.3499 -4.3398 -4.3398 -2.1223 -2.1223 -2.0985 -2.0985 -1.9538 -1.9538 -1.9311 -1.9311 -1.7593 -1.7593 -1.7553 -1.7553 4.3447 4.3447 4.3916 4.3916 8.8101 8.8101 9.0655 9.0655 10.3998 10.3998 10.5174 10.5174 11.1031 11.1031 11.3036 11.3036 11.4981 11.4981 11.5944 11.5944 11.8000 11.8000 12.2835 12.2835 12.5877 12.5877 13.0645 13.0645 13.3915 13.3915 13.4444 13.4444 18.7253 18.7253 18.7633 18.7633 22.1964 22.1964 k = 0.3400 0.5658 0.3895 ( 3134 PWs) bands (ev): -4.5684 -4.5684 -4.5531 -4.5531 -4.3499 -4.3499 -4.3397 -4.3397 -2.1223 -2.1223 -2.0984 -2.0984 -1.9539 -1.9539 -1.9311 -1.9311 -1.7593 -1.7593 -1.7553 -1.7553 4.3470 4.3470 4.3942 4.3942 8.8056 8.8056 9.0617 9.0617 10.3998 10.3998 10.5175 10.5175 11.1123 11.1123 11.3130 11.3130 11.5002 11.5002 11.5935 11.5935 11.8005 11.8005 12.3334 12.3334 12.5311 12.5312 13.0586 13.0586 13.3736 13.3736 13.4314 13.4314 18.7327 18.7327 18.7700 18.7700 22.2382 22.2391 k = 0.3333 0.5774 0.3895 ( 3138 PWs) bands (ev): -4.5684 -4.5684 -4.5531 -4.5531 -4.3499 -4.3499 -4.3397 -4.3397 -2.1223 -2.1223 -2.0984 -2.0984 -1.9539 -1.9539 -1.9310 -1.9310 -1.7593 -1.7593 -1.7553 -1.7553 4.3478 4.3478 4.3951 4.3951 8.8041 8.8041 9.0604 9.0604 10.3997 10.3997 10.5175 10.5175 11.1154 11.1154 11.3162 11.3162 11.5009 11.5009 11.5931 11.5931 11.8007 11.8007 12.3590 12.3590 12.5029 12.5029 13.0559 13.0559 13.3682 13.3682 13.4274 13.4274 18.7352 18.7352 18.7722 18.7722 22.2396 22.2396 k = 0.3333 0.5774 0.3895 ( 3138 PWs) bands (ev): -4.5684 -4.5684 -4.5531 -4.5531 -4.3499 -4.3499 -4.3397 -4.3397 -2.1223 -2.1223 -2.0984 -2.0984 -1.9539 -1.9539 -1.9310 -1.9310 -1.7593 -1.7593 -1.7553 -1.7553 4.3478 4.3478 4.3951 4.3951 8.8041 8.8041 9.0604 9.0604 10.3997 10.3997 10.5175 10.5175 11.1154 11.1154 11.3162 11.3162 11.5009 11.5009 11.5931 11.5931 11.8007 11.8007 12.3590 12.3590 12.5029 12.5029 13.0559 13.0559 13.3682 13.3682 13.4274 13.4274 18.7352 18.7352 18.7722 18.7722 22.2396 22.2396 k = 0.3267 0.5658 0.3895 ( 3138 PWs) bands (ev): -4.5684 -4.5684 -4.5531 -4.5531 -4.3499 -4.3499 -4.3397 -4.3397 -2.1223 -2.1223 -2.0984 -2.0984 -1.9539 -1.9539 -1.9311 -1.9311 -1.7593 -1.7593 -1.7553 -1.7553 4.3469 4.3469 4.3942 4.3942 8.8056 8.8056 9.0617 9.0617 10.3998 10.3998 10.5175 10.5175 11.1123 11.1123 11.3128 11.3128 11.5003 11.5003 11.5937 11.5937 11.8005 11.8005 12.3335 12.3335 12.5314 12.5314 13.0593 13.0593 13.3728 13.3728 13.4310 13.4310 18.7327 18.7327 18.7699 18.7699 22.2393 22.2393 k = 0.3200 0.5543 0.3895 ( 3130 PWs) bands (ev): -4.5683 -4.5683 -4.5531 -4.5531 -4.3499 -4.3499 -4.3398 -4.3398 -2.1223 -2.1223 -2.0985 -2.0985 -1.9538 -1.9538 -1.9311 -1.9311 -1.7593 -1.7593 -1.7554 -1.7554 4.3443 4.3443 4.3913 4.3913 8.8103 8.8103 9.0656 9.0656 10.3999 10.3999 10.5176 10.5176 11.1027 11.1027 11.3023 11.3023 11.4987 11.4987 11.5959 11.5959 11.8003 11.8003 12.2846 12.2846 12.5897 12.5897 13.0703 13.0703 13.3854 13.3854 13.4415 13.4415 18.7251 18.7251 18.7629 18.7629 22.2344 22.2344 k = 0.3133 0.5427 0.3895 ( 3114 PWs) bands (ev): -4.5683 -4.5683 -4.5532 -4.5532 -4.3499 -4.3499 -4.3398 -4.3398 -2.1223 -2.1223 -2.0986 -2.0986 -1.9538 -1.9538 -1.9313 -1.9313 -1.7594 -1.7594 -1.7554 -1.7554 4.3398 4.3398 4.3862 4.3862 8.8181 8.8181 9.0722 9.0722 10.4000 10.4000 10.5177 10.5177 11.0869 11.0869 11.2846 11.2846 11.4965 11.4965 11.5997 11.5997 11.8005 11.8005 12.2341 12.2341 12.6565 12.6565 13.0888 13.0888 13.4051 13.4051 13.4584 13.4584 18.7126 18.7126 18.7511 18.7511 22.1677 22.1677 k = 0.3067 0.5312 0.3895 ( 3126 PWs) bands (ev): -4.5682 -4.5682 -4.5533 -4.5533 -4.3499 -4.3499 -4.3400 -4.3400 -2.1222 -2.1222 -2.0988 -2.0988 -1.9537 -1.9537 -1.9314 -1.9314 -1.7595 -1.7595 -1.7556 -1.7556 4.3333 4.3333 4.3790 4.3790 8.8291 8.8291 9.0814 9.0814 10.4002 10.4002 10.5178 10.5178 11.0653 11.0653 11.2601 11.2601 11.4937 11.4937 11.6050 11.6050 11.8019 11.8019 12.1880 12.1880 12.7255 12.7255 13.1138 13.1138 13.4317 13.4317 13.4819 13.4819 18.6953 18.6953 18.7346 18.7346 22.1013 22.1013 k = 0.3000 0.5196 0.3895 ( 3134 PWs) bands (ev): -4.5682 -4.5682 -4.5535 -4.5535 -4.3499 -4.3499 -4.3401 -4.3401 -2.1222 -2.1222 -2.0991 -2.0991 -1.9536 -1.9536 -1.9316 -1.9316 -1.7597 -1.7597 -1.7558 -1.7558 4.3247 4.3247 4.3696 4.3696 8.8432 8.8432 9.0933 9.0933 10.4004 10.4004 10.5178 10.5178 11.0387 11.0387 11.2294 11.2294 11.4907 11.4907 11.6116 11.6116 11.8048 11.8048 12.1480 12.1480 12.7944 12.7944 13.1437 13.1437 13.4658 13.4658 13.5123 13.5123 18.6734 18.6734 18.7135 18.7135 22.0356 22.0356 k = 0.2933 0.5081 0.3895 ( 3130 PWs) bands (ev): -4.5681 -4.5681 -4.5537 -4.5537 -4.3499 -4.3499 -4.3403 -4.3403 -2.1221 -2.1221 -2.0994 -2.0994 -1.9534 -1.9534 -1.9319 -1.9319 -1.7598 -1.7598 -1.7561 -1.7561 4.3140 4.3140 4.3578 4.3578 8.8605 8.8605 9.1078 9.1078 10.4007 10.4007 10.5178 10.5178 11.0081 11.0081 11.1936 11.1936 11.4875 11.4875 11.6189 11.6189 11.8097 11.8097 12.1150 12.1150 12.8615 12.8615 13.1763 13.1763 13.5079 13.5079 13.5501 13.5501 18.6471 18.6471 18.6880 18.6880 21.9706 21.9706 k = 0.2867 0.4965 0.3895 ( 3138 PWs) bands (ev): -4.5680 -4.5680 -4.5539 -4.5539 -4.3499 -4.3499 -4.3405 -4.3405 -2.1220 -2.1220 -2.0998 -2.0998 -1.9533 -1.9533 -1.9321 -1.9321 -1.7601 -1.7601 -1.7564 -1.7564 4.3012 4.3012 4.3437 4.3437 8.8808 8.8808 9.1249 9.1249 10.4009 10.4009 10.5174 10.5174 10.9746 10.9746 11.1539 11.1539 11.4844 11.4844 11.6265 11.6265 11.8168 11.8168 12.0888 12.0888 12.9255 12.9255 13.2101 13.2101 13.5587 13.5587 13.5960 13.5960 18.6170 18.6170 18.6585 18.6585 21.9064 21.9064 k = 0.2800 0.4850 0.3895 ( 3134 PWs) bands (ev): -4.5679 -4.5679 -4.5541 -4.5541 -4.3500 -4.3500 -4.3408 -4.3408 -2.1219 -2.1219 -2.1002 -2.1002 -1.9531 -1.9531 -1.9324 -1.9324 -1.7604 -1.7604 -1.7568 -1.7568 4.2861 4.2861 4.3273 4.3273 8.9040 8.9040 9.1444 9.1444 10.4010 10.4010 10.5164 10.5164 10.9395 10.9395 11.1113 11.1113 11.4814 11.4814 11.6342 11.6342 11.8258 11.8258 12.0691 12.0691 12.9857 12.9857 13.2437 13.2437 13.6182 13.6182 13.6504 13.6504 18.5833 18.5833 18.6251 18.6251 21.8432 21.8432 k = 0.2733 0.4734 0.3895 ( 3138 PWs) bands (ev): -4.5678 -4.5678 -4.5544 -4.5544 -4.3500 -4.3500 -4.3411 -4.3411 -2.1219 -2.1219 -2.1007 -2.1007 -1.9528 -1.9528 -1.9328 -1.9328 -1.7607 -1.7607 -1.7572 -1.7572 4.2689 4.2689 4.3086 4.3086 8.9302 8.9302 9.1662 9.1662 10.4009 10.4009 10.5143 10.5143 10.9043 10.9043 11.0671 11.0671 11.4789 11.4789 11.6417 11.6417 11.8365 11.8365 12.0553 12.0553 13.0416 13.0416 13.2766 13.2766 13.6863 13.6863 13.7135 13.7135 18.5465 18.5465 18.5883 18.5883 21.7810 21.7810 k = 0.2667 0.4619 0.3895 ( 3136 PWs) bands (ev): -4.5676 -4.5676 -4.5547 -4.5547 -4.3501 -4.3501 -4.3414 -4.3414 -2.1218 -2.1218 -2.1013 -2.1013 -1.9526 -1.9526 -1.9331 -1.9331 -1.7611 -1.7611 -1.7577 -1.7577 4.2496 4.2496 4.2877 4.2877 8.9590 8.9590 9.1903 9.1903 10.4005 10.4005 10.5107 10.5107 10.8702 10.8702 11.0224 11.0224 11.4770 11.4770 11.6488 11.6488 11.8487 11.8488 12.0467 12.0467 13.0935 13.0935 13.3088 13.3088 13.7621 13.7621 13.7849 13.7849 18.5071 18.5071 18.5485 18.5485 21.7197 21.7197 k = 0.2600 0.4503 0.3895 ( 3146 PWs) bands (ev): -4.5675 -4.5675 -4.5550 -4.5550 -4.3501 -4.3501 -4.3418 -4.3418 -2.1217 -2.1217 -2.1018 -2.1018 -1.9523 -1.9523 -1.9335 -1.9335 -1.7615 -1.7615 -1.7583 -1.7583 4.2281 4.2281 4.2645 4.2645 8.9903 8.9903 9.2164 9.2164 10.3995 10.3995 10.5048 10.5048 10.8387 10.8387 10.9782 10.9782 11.4759 11.4759 11.6556 11.6556 11.8621 11.8621 12.0425 12.0425 13.1418 13.1418 13.3408 13.3408 13.8447 13.8447 13.8642 13.8642 18.4655 18.4655 18.5062 18.5062 21.6594 21.6594 k = 0.2533 0.4388 0.3895 ( 3142 PWs) bands (ev): -4.5674 -4.5674 -4.5553 -4.5553 -4.3502 -4.3502 -4.3422 -4.3422 -2.1217 -2.1217 -2.1025 -2.1025 -1.9520 -1.9520 -1.9338 -1.9338 -1.7620 -1.7620 -1.7589 -1.7589 4.2047 4.2047 4.2393 4.2393 9.0240 9.0240 9.2443 9.2443 10.3979 10.3979 10.4960 10.4960 10.8110 10.8110 10.9353 10.9353 11.4758 11.4758 11.6621 11.6621 11.8762 11.8762 12.0420 12.0420 13.1874 13.1874 13.3730 13.3730 13.9333 13.9333 13.9504 13.9504 18.4222 18.4222 18.4616 18.4616 21.6000 21.6000 k = 0.2467 0.4272 0.3895 ( 3138 PWs) bands (ev): -4.5672 -4.5672 -4.5557 -4.5557 -4.3503 -4.3503 -4.3426 -4.3426 -2.1216 -2.1216 -2.1031 -2.1031 -1.9517 -1.9517 -1.9342 -1.9342 -1.7626 -1.7626 -1.7596 -1.7596 4.1792 4.1792 4.2120 4.2120 9.0598 9.0598 9.2739 9.2739 10.3954 10.3954 10.4837 10.4837 10.7882 10.7882 10.8947 10.8947 11.4769 11.4769 11.6685 11.6685 11.8908 11.8908 12.0445 12.0445 13.2311 13.2311 13.4058 13.4058 14.0270 14.0270 14.0427 14.0427 18.3775 18.3775 18.4153 18.4153 21.5416 21.5416 k = 0.2400 0.4157 0.3895 ( 3134 PWs) bands (ev): -4.5671 -4.5671 -4.5561 -4.5561 -4.3504 -4.3504 -4.3430 -4.3430 -2.1216 -2.1216 -2.1038 -2.1038 -1.9514 -1.9514 -1.9346 -1.9346 -1.7632 -1.7632 -1.7604 -1.7604 4.1520 4.1520 4.1829 4.1829 9.0975 9.0975 9.3049 9.3049 10.3917 10.3917 10.4677 10.4677 10.7709 10.7709 10.8569 10.8569 11.4794 11.4794 11.6748 11.6748 11.9055 11.9055 12.0491 12.0491 13.2741 13.2741 13.4398 13.4398 14.1251 14.1251 14.1403 14.1403 18.3320 18.3320 18.3676 18.3676 21.4839 21.4839 k = 0.2333 0.4041 0.3895 ( 3134 PWs) bands (ev): -4.5670 -4.5670 -4.5565 -4.5565 -4.3505 -4.3505 -4.3435 -4.3435 -2.1215 -2.1215 -2.1046 -2.1046 -1.9511 -1.9511 -1.9350 -1.9350 -1.7639 -1.7639 -1.7612 -1.7612 4.1230 4.1230 4.1521 4.1521 9.1369 9.1369 9.3370 9.3370 10.3866 10.3866 10.4480 10.4480 10.7591 10.7591 10.8228 10.8228 11.4834 11.4834 11.6812 11.6812 11.9202 11.9202 12.0555 12.0555 13.3171 13.3171 13.4754 13.4754 14.2269 14.2269 14.2422 14.2422 18.2859 18.2859 18.3189 18.3189 21.4268 21.4268 k = 0.2267 0.3926 0.3895 ( 3130 PWs) bands (ev): -4.5668 -4.5668 -4.5569 -4.5569 -4.3506 -4.3506 -4.3439 -4.3439 -2.1215 -2.1215 -2.1053 -2.1053 -1.9507 -1.9507 -1.9354 -1.9354 -1.7647 -1.7647 -1.7621 -1.7621 4.0925 4.0925 4.1197 4.1197 9.1775 9.1775 9.3701 9.3701 10.3796 10.3796 10.4255 10.4255 10.7523 10.7523 10.7928 10.7928 11.4891 11.4891 11.6878 11.6878 11.9345 11.9345 12.0629 12.0629 13.3608 13.3608 13.5129 13.5129 14.3320 14.3320 14.3478 14.3478 18.2397 18.2397 18.2696 18.2696 21.3699 21.3699 k = 0.2200 0.3811 0.3895 ( 3138 PWs) bands (ev): -4.5667 -4.5667 -4.5573 -4.5573 -4.3508 -4.3508 -4.3445 -4.3445 -2.1215 -2.1215 -2.1061 -2.1061 -1.9503 -1.9503 -1.9358 -1.9358 -1.7655 -1.7655 -1.7631 -1.7631 4.0605 4.0605 4.0859 4.0859 9.2193 9.2193 9.4037 9.4037 10.3707 10.3707 10.4009 10.4009 10.7498 10.7498 10.7673 10.7673 11.4965 11.4965 11.6948 11.6948 11.9484 11.9484 12.0711 12.0711 13.4060 13.4060 13.5526 13.5526 14.4398 14.4398 14.4565 14.4565 18.1937 18.1937 18.2199 18.2199 21.3124 21.3125 k = 0.2133 0.3695 0.3895 ( 3142 PWs) bands (ev): -4.5666 -4.5666 -4.5577 -4.5577 -4.3510 -4.3510 -4.3450 -4.3450 -2.1214 -2.1214 -2.1070 -2.1070 -1.9499 -1.9499 -1.9362 -1.9362 -1.7663 -1.7663 -1.7641 -1.7641 4.0273 4.0273 4.0508 4.0508 9.2617 9.2617 9.4377 9.4377 10.3597 10.3597 10.3753 10.3753 10.7467 10.7467 10.7508 10.7508 11.5058 11.5058 11.7021 11.7021 11.9617 11.9617 12.0795 12.0795 13.4532 13.4532 13.5950 13.5950 14.5500 14.5500 14.5678 14.5678 18.1483 18.1483 18.1703 18.1703 21.1699 21.1699 k = 0.2067 0.3580 0.3895 ( 3130 PWs) bands (ev): -4.5665 -4.5665 -4.5581 -4.5581 -4.3511 -4.3511 -4.3455 -4.3455 -2.1214 -2.1214 -2.1078 -2.1078 -1.9495 -1.9495 -1.9366 -1.9366 -1.7673 -1.7673 -1.7652 -1.7652 3.9930 3.9930 4.0147 4.0147 9.3046 9.3046 9.4718 9.4718 10.3467 10.3467 10.3493 10.3493 10.7310 10.7310 10.7544 10.7544 11.5169 11.5169 11.7099 11.7099 11.9743 11.9743 12.0879 12.0879 13.5029 13.5029 13.6401 13.6401 14.6621 14.6621 14.6813 14.6813 18.1036 18.1036 18.1211 18.1211 21.0358 21.0358 k = 0.2000 0.3464 0.3895 ( 3130 PWs) bands (ev): -4.5663 -4.5663 -4.5586 -4.5586 -4.3513 -4.3513 -4.3461 -4.3461 -2.1215 -2.1215 -2.1087 -2.1087 -1.9490 -1.9490 -1.9370 -1.9370 -1.7682 -1.7682 -1.7663 -1.7663 3.9577 3.9577 3.9777 3.9777 9.3476 9.3476 9.5057 9.5057 10.3237 10.3237 10.3318 10.3318 10.7202 10.7202 10.7600 10.7600 11.5299 11.5299 11.7181 11.7181 11.9861 11.9861 12.0960 12.0960 13.5554 13.5554 13.6881 13.6881 14.7758 14.7758 14.7964 14.7964 18.0601 18.0601 18.0724 18.0724 20.9033 20.9033 k = 0.1933 0.3349 0.3895 ( 3134 PWs) bands (ev): -4.5662 -4.5662 -4.5590 -4.5590 -4.3515 -4.3515 -4.3467 -4.3467 -2.1215 -2.1215 -2.1095 -2.1095 -1.9486 -1.9486 -1.9373 -1.9373 -1.7692 -1.7692 -1.7675 -1.7675 3.9216 3.9216 3.9400 3.9400 9.3904 9.3904 9.5391 9.5391 10.2987 10.2987 10.3154 10.3154 10.7138 10.7138 10.7673 10.7673 11.5447 11.5447 11.7268 11.7268 11.9971 11.9971 12.1038 12.1038 13.6110 13.6110 13.7394 13.7394 14.8908 14.8908 14.9129 14.9129 18.0181 18.0181 18.0246 18.0246 20.7726 20.7726 k = 0.1867 0.3233 0.3895 ( 3126 PWs) bands (ev): -4.5661 -4.5661 -4.5594 -4.5594 -4.3518 -4.3518 -4.3472 -4.3472 -2.1215 -2.1215 -2.1104 -2.1104 -1.9481 -1.9481 -1.9377 -1.9377 -1.7703 -1.7703 -1.7687 -1.7687 3.8850 3.8850 3.9017 3.9017 9.4327 9.4327 9.5718 9.5718 10.2748 10.2748 10.2980 10.2980 10.7115 10.7115 10.7759 10.7759 11.5613 11.5613 11.7359 11.7359 12.0073 12.0073 12.1109 12.1109 13.6700 13.6700 13.7940 13.7940 15.0066 15.0066 15.0302 15.0302 17.9777 17.9777 17.9779 17.9779 20.6438 20.6438 k = 0.1800 0.3118 0.3895 ( 3130 PWs) bands (ev): -4.5660 -4.5660 -4.5599 -4.5599 -4.3520 -4.3520 -4.3478 -4.3478 -2.1216 -2.1216 -2.1113 -2.1113 -1.9477 -1.9477 -1.9380 -1.9380 -1.7714 -1.7714 -1.7699 -1.7699 3.8479 3.8479 3.8631 3.8631 9.4742 9.4742 9.6035 9.6035 10.2521 10.2521 10.2801 10.2801 10.7128 10.7128 10.7854 10.7854 11.5795 11.5795 11.7455 11.7455 12.0166 12.0166 12.1174 12.1174 13.7327 13.7327 13.8520 13.8520 15.1228 15.1228 15.1481 15.1481 17.9327 17.9327 17.9393 17.9393 20.5173 20.5173 k = 0.1733 0.3002 0.3895 ( 3124 PWs) bands (ev): -4.5659 -4.5659 -4.5603 -4.5603 -4.3522 -4.3522 -4.3484 -4.3484 -2.1216 -2.1216 -2.1122 -2.1122 -1.9472 -1.9472 -1.9383 -1.9383 -1.7725 -1.7725 -1.7712 -1.7712 3.8106 3.8106 3.8243 3.8243 9.5146 9.5146 9.6342 9.6342 10.2308 10.2308 10.2619 10.2619 10.7174 10.7174 10.7958 10.7958 11.5991 11.5991 11.7554 11.7554 12.0252 12.0252 12.1232 12.1232 13.7990 13.7990 13.9136 13.9136 15.2390 15.2390 15.2661 15.2661 17.8890 17.8890 17.9032 17.9032 20.3933 20.3933 k = 0.1667 0.2887 0.3895 ( 3116 PWs) bands (ev): -4.5658 -4.5658 -4.5607 -4.5607 -4.3525 -4.3525 -4.3490 -4.3490 -2.1217 -2.1217 -2.1131 -2.1131 -1.9467 -1.9467 -1.9386 -1.9386 -1.7737 -1.7737 -1.7725 -1.7725 3.7732 3.7732 3.7855 3.7855 9.5537 9.5537 9.6635 9.6635 10.2109 10.2109 10.2439 10.2439 10.7248 10.7248 10.8068 10.8068 11.6200 11.6200 11.7656 11.7656 12.0330 12.0330 12.1282 12.1282 13.8692 13.8692 13.9788 13.9788 15.3548 15.3548 15.3838 15.3838 17.8474 17.8474 17.8697 17.8697 20.2719 20.2719 k = 0.1600 0.2771 0.3895 ( 3118 PWs) bands (ev): -4.5658 -4.5658 -4.5611 -4.5611 -4.3528 -4.3528 -4.3496 -4.3496 -2.1218 -2.1218 -2.1139 -2.1139 -1.9463 -1.9463 -1.9389 -1.9389 -1.7749 -1.7749 -1.7738 -1.7738 3.7359 3.7359 3.7468 3.7468 9.5912 9.5912 9.6915 9.6915 10.1925 10.1925 10.2264 10.2264 10.7345 10.7345 10.8183 10.8183 11.6420 11.6420 11.7761 11.7761 12.0402 12.0402 12.1325 12.1325 13.9433 13.9433 14.0476 14.0476 15.4695 15.4695 15.5006 15.5006 17.8079 17.8079 17.8391 17.8391 20.1534 20.1534 k = 0.1533 0.2656 0.3895 ( 3114 PWs) bands (ev): -4.5657 -4.5657 -4.5615 -4.5615 -4.3531 -4.3531 -4.3502 -4.3502 -2.1219 -2.1219 -2.1148 -2.1148 -1.9458 -1.9458 -1.9391 -1.9391 -1.7760 -1.7760 -1.7751 -1.7751 3.6988 3.6988 3.7086 3.7086 9.6269 9.6269 9.7179 9.7179 10.1755 10.1755 10.2095 10.2095 10.7464 10.7464 10.8302 10.8302 11.6648 11.6648 11.7868 11.7868 12.0468 12.0468 12.1361 12.1361 14.0211 14.0211 14.1201 14.1201 15.5825 15.5825 15.6159 15.6159 17.7711 17.7711 17.8118 17.8118 20.0380 20.0380 k = 0.1467 0.2540 0.3895 ( 3118 PWs) bands (ev): -4.5657 -4.5657 -4.5619 -4.5619 -4.3533 -4.3533 -4.3508 -4.3508 -2.1220 -2.1220 -2.1156 -2.1156 -1.9454 -1.9454 -1.9394 -1.9394 -1.7773 -1.7773 -1.7764 -1.7764 3.6621 3.6621 3.6707 3.6707 9.6607 9.6607 9.7427 9.7427 10.1601 10.1601 10.1934 10.1934 10.7602 10.7602 10.8425 10.8425 11.6882 11.6882 11.7977 11.7977 12.0529 12.0529 12.1390 12.1390 14.1028 14.1028 14.1962 14.1962 15.6932 15.6932 15.7291 15.7291 17.7373 17.7373 17.7882 17.7882 19.9258 19.9258 k = 0.1400 0.2425 0.3895 ( 3130 PWs) bands (ev): -4.5656 -4.5656 -4.5623 -4.5623 -4.3536 -4.3536 -4.3514 -4.3514 -2.1222 -2.1222 -2.1164 -2.1164 -1.9449 -1.9449 -1.9396 -1.9396 -1.7785 -1.7785 -1.7777 -1.7777 3.6260 3.6260 3.6336 3.6336 9.6925 9.6925 9.7658 9.7658 10.1460 10.1460 10.1782 10.1782 10.7754 10.7754 10.8549 10.8549 11.7119 11.7119 11.8087 11.8087 12.0585 12.0585 12.1412 12.1412 14.1882 14.1882 14.2759 14.2759 15.8007 15.8007 15.8394 15.8394 17.7069 17.7069 17.7687 17.7687 19.8170 19.8170 k = 0.1333 0.2309 0.3895 ( 3130 PWs) bands (ev): -4.5656 -4.5656 -4.5627 -4.5627 -4.3539 -4.3539 -4.3520 -4.3520 -2.1223 -2.1223 -2.1172 -2.1172 -1.9445 -1.9445 -1.9398 -1.9398 -1.7797 -1.7797 -1.7790 -1.7790 3.5906 3.5906 3.5972 3.5972 9.7222 9.7222 9.7873 9.7873 10.1334 10.1334 10.1640 10.1640 10.7918 10.7918 10.8674 10.8674 11.7357 11.7357 11.8199 11.8199 12.0638 12.0638 12.1428 12.1428 14.2771 14.2771 14.3590 14.3590 15.9042 15.9042 15.9459 15.9459 17.6807 17.6807 17.7539 17.7539 19.7118 19.7118 k = 0.1267 0.2194 0.3895 ( 3128 PWs) bands (ev): -4.5655 -4.5655 -4.5630 -4.5630 -4.3543 -4.3543 -4.3525 -4.3525 -2.1225 -2.1225 -2.1180 -2.1180 -1.9441 -1.9441 -1.9399 -1.9399 -1.7809 -1.7809 -1.7803 -1.7803 3.5560 3.5560 3.5617 3.5617 9.7497 9.7497 9.8071 9.8071 10.1220 10.1220 10.1508 10.1508 10.8092 10.8092 10.8800 10.8800 11.7594 11.7594 11.8312 11.8312 12.0689 12.0689 12.1439 12.1439 14.3693 14.3693 14.4453 14.4453 16.0027 16.0027 16.0477 16.0477 17.6591 17.6591 17.7443 17.7443 19.6102 19.6102 k = 0.1200 0.2078 0.3895 ( 3136 PWs) bands (ev): -4.5655 -4.5655 -4.5633 -4.5633 -4.3546 -4.3546 -4.3531 -4.3531 -2.1226 -2.1226 -2.1187 -2.1187 -1.9437 -1.9437 -1.9400 -1.9400 -1.7821 -1.7821 -1.7816 -1.7816 3.5224 3.5224 3.5273 3.5273 9.7751 9.7751 9.8252 9.8252 10.1120 10.1120 10.1386 10.1386 10.8272 10.8272 10.8924 10.8924 11.7828 11.7828 11.8426 11.8426 12.0737 12.0737 12.1445 12.1445 14.4645 14.4645 14.5347 14.5347 16.0952 16.0952 16.1436 16.1436 17.6430 17.6430 17.7403 17.7403 19.5125 19.5125 k = 0.1133 0.1963 0.3895 ( 3136 PWs) bands (ev): -4.5655 -4.5655 -4.5636 -4.5636 -4.3549 -4.3549 -4.3536 -4.3536 -2.1228 -2.1228 -2.1194 -2.1194 -1.9433 -1.9433 -1.9402 -1.9402 -1.7832 -1.7832 -1.7828 -1.7828 3.4900 3.4900 3.4941 3.4941 9.7984 9.7984 9.8418 9.8418 10.1032 10.1032 10.1275 10.1275 10.8455 10.8455 10.9047 10.9047 11.8055 11.8055 11.8542 11.8542 12.0783 12.0783 12.1446 12.1446 14.5626 14.5626 14.6269 14.6269 16.1806 16.1806 16.2323 16.2323 17.6331 17.6331 17.7424 17.7424 19.4188 19.4188 k = 0.1067 0.1848 0.3895 ( 3136 PWs) bands (ev): -4.5655 -4.5655 -4.5639 -4.5639 -4.3552 -4.3552 -4.3541 -4.3541 -2.1230 -2.1230 -2.1201 -2.1201 -1.9429 -1.9429 -1.9403 -1.9403 -1.7843 -1.7843 -1.7840 -1.7840 3.4587 3.4587 3.4622 3.4622 9.8195 9.8195 9.8568 9.8568 10.0955 10.0955 10.1175 10.1175 10.8638 10.8638 10.9167 10.9167 11.8276 11.8276 11.8659 11.8660 12.0828 12.0828 12.1442 12.1442 14.6630 14.6630 14.7215 14.7215 16.2581 16.2581 16.3127 16.3127 17.6305 17.6305 17.7509 17.7509 19.3290 19.3290 k = 0.1000 0.1732 0.3895 ( 3136 PWs) bands (ev): -4.5655 -4.5655 -4.5642 -4.5642 -4.3555 -4.3555 -4.3546 -4.3546 -2.1231 -2.1231 -2.1208 -2.1208 -1.9425 -1.9425 -1.9403 -1.9403 -1.7854 -1.7854 -1.7852 -1.7852 3.4288 3.4288 3.4316 3.4316 9.8387 9.8387 9.8702 9.8702 10.0891 10.0891 10.1085 10.1085 10.8819 10.8819 10.9282 10.9282 11.8488 11.8488 11.8778 11.8778 12.0872 12.0872 12.1434 12.1434 14.7653 14.7653 14.8181 14.8181 16.3269 16.3269 16.3837 16.3837 17.6357 17.6357 17.7659 17.7659 19.2433 19.2433 k = 0.0933 0.1617 0.3895 ( 3132 PWs) bands (ev): -4.5655 -4.5655 -4.5644 -4.5644 -4.3558 -4.3558 -4.3550 -4.3550 -2.1233 -2.1233 -2.1213 -2.1213 -1.9422 -1.9422 -1.9404 -1.9404 -1.7865 -1.7865 -1.7863 -1.7863 3.4003 3.4003 3.4026 3.4026 9.8558 9.8558 9.8822 9.8822 10.0837 10.0837 10.1006 10.1006 10.8995 10.8995 10.9393 10.9393 11.8690 11.8690 11.8899 11.8899 12.0915 12.0915 12.1423 12.1423 14.8691 14.8691 14.9163 14.9163 16.3865 16.3865 16.4442 16.4442 17.6493 17.6493 17.7872 17.7872 19.1617 19.1617 k = 0.0867 0.1501 0.3895 ( 3132 PWs) bands (ev): -4.5656 -4.5656 -4.5647 -4.5647 -4.3561 -4.3561 -4.3555 -4.3555 -2.1235 -2.1235 -2.1219 -2.1219 -1.9419 -1.9419 -1.9404 -1.9404 -1.7875 -1.7875 -1.7873 -1.7873 3.3733 3.3733 3.3752 3.3752 9.8710 9.8710 9.8927 9.8927 10.0793 10.0793 10.0938 10.0938 10.9164 10.9164 10.9499 10.9499 11.8881 11.8881 11.9021 11.9021 12.0957 12.0957 12.1409 12.1409 14.9737 14.9737 15.0155 15.0155 16.4369 16.4369 16.4939 16.4939 17.6713 17.6713 17.8140 17.8140 19.0841 19.0841 k = 0.0800 0.1386 0.3895 ( 3132 PWs) bands (ev): -4.5656 -4.5656 -4.5649 -4.5649 -4.3564 -4.3564 -4.3559 -4.3559 -2.1237 -2.1237 -2.1224 -2.1224 -1.9416 -1.9416 -1.9405 -1.9405 -1.7885 -1.7885 -1.7883 -1.7883 3.3480 3.3480 3.3495 3.3495 9.8844 9.8844 9.9019 9.9019 10.0760 10.0760 10.0880 10.0880 10.9322 10.9322 10.9598 10.9598 11.9060 11.9060 11.9145 11.9145 12.0996 12.0996 12.1391 12.1391 15.0784 15.0784 15.1149 15.1149 16.4783 16.4783 16.5329 16.5329 17.7014 17.7014 17.8453 17.8453 19.0104 19.0104 k = 0.0733 0.1270 0.3895 ( 3132 PWs) bands (ev): -4.5656 -4.5656 -4.5651 -4.5651 -4.3566 -4.3566 -4.3562 -4.3562 -2.1239 -2.1239 -2.1229 -2.1229 -1.9414 -1.9414 -1.9405 -1.9405 -1.7894 -1.7894 -1.7892 -1.7892 3.3244 3.3244 3.3255 3.3255 9.8960 9.8960 9.9097 9.9097 10.0736 10.0736 10.0833 10.0833 10.9469 10.9469 10.9691 10.9691 11.9228 11.9228 11.9269 11.9269 12.1032 12.1032 12.1371 12.1371 15.1824 15.1824 15.2139 15.2139 16.5115 16.5115 16.5620 16.5620 17.7385 17.7385 17.8799 17.8799 18.9404 18.9404 k = 0.0667 0.1155 0.3895 ( 3132 PWs) bands (ev): -4.5656 -4.5656 -4.5652 -4.5652 -4.3569 -4.3569 -4.3566 -4.3566 -2.1241 -2.1241 -2.1233 -2.1233 -1.9412 -1.9412 -1.9405 -1.9405 -1.7902 -1.7902 -1.7901 -1.7901 3.3025 3.3025 3.3034 3.3034 9.9058 9.9058 9.9163 9.9163 10.0720 10.0720 10.0796 10.0796 10.9604 10.9604 10.9776 10.9776 11.9384 11.9384 11.9394 11.9394 12.1066 12.1066 12.1348 12.1348 15.2849 15.2849 15.3115 15.3115 16.5372 16.5372 16.5822 16.5822 17.7813 17.7813 17.9164 17.9164 18.8741 18.8741 k = 0.0600 0.1039 0.3895 ( 3140 PWs) bands (ev): -4.5657 -4.5657 -4.5654 -4.5654 -4.3571 -4.3571 -4.3569 -4.3569 -2.1242 -2.1242 -2.1237 -2.1237 -1.9410 -1.9410 -1.9404 -1.9404 -1.7910 -1.7910 -1.7909 -1.7909 3.2826 3.2826 3.2832 3.2832 9.9141 9.9141 9.9219 9.9219 10.0711 10.0711 10.0768 10.0768 10.9725 10.9725 10.9854 10.9854 11.9517 11.9517 11.9528 11.9528 12.1095 12.1095 12.1323 12.1323 15.3848 15.3848 15.4067 15.4067 16.5565 16.5565 16.5950 16.5950 17.8284 17.8284 17.9532 17.9532 18.8111 18.8111 k = 0.0533 0.0924 0.3895 ( 3144 PWs) bands (ev): -4.5657 -4.5657 -4.5655 -4.5655 -4.3573 -4.3573 -4.3572 -4.3572 -2.1244 -2.1244 -2.1240 -2.1240 -1.9408 -1.9408 -1.9404 -1.9404 -1.7917 -1.7917 -1.7916 -1.7916 3.2645 3.2645 3.2650 3.2650 9.9209 9.9209 9.9264 9.9264 10.0708 10.0708 10.0749 10.0749 10.9831 10.9831 10.9925 10.9925 11.9638 11.9638 11.9660 11.9660 12.1119 12.1119 12.1297 12.1297 15.4808 15.4808 15.4983 15.4983 16.5705 16.5705 16.6019 16.6019 17.8783 17.8783 17.9895 17.9895 18.7511 18.7511 k = 0.0467 0.0808 0.3895 ( 3144 PWs) bands (ev): -4.5657 -4.5657 -4.5656 -4.5656 -4.3575 -4.3575 -4.3574 -4.3574 -2.1246 -2.1246 -2.1243 -2.1243 -1.9406 -1.9406 -1.9404 -1.9404 -1.7923 -1.7923 -1.7923 -1.7923 3.2485 3.2485 3.2488 3.2488 9.9263 9.9263 9.9300 9.9300 10.0710 10.0710 10.0738 10.0738 10.9923 10.9923 10.9987 10.9987 11.9754 11.9754 11.9780 11.9780 12.1137 12.1137 12.1269 12.1269 15.5717 15.5717 15.5851 15.5851 16.5800 16.5800 16.6044 16.6044 17.9297 17.9297 18.0244 18.0244 18.6937 18.6937 k = 0.0400 0.0693 0.3895 ( 3148 PWs) bands (ev): -4.5658 -4.5658 -4.5657 -4.5657 -4.3577 -4.3577 -4.3577 -4.3577 -2.1247 -2.1247 -2.1245 -2.1245 -1.9405 -1.9405 -1.9404 -1.9404 -1.7928 -1.7928 -1.7928 -1.7928 3.2345 3.2345 3.2347 3.2347 9.9305 9.9305 9.9328 9.9328 10.0715 10.0715 10.0733 10.0733 11.0001 11.0001 11.0042 11.0042 11.9863 11.9863 11.9888 11.9888 12.1150 12.1150 12.1242 12.1242 15.6558 15.6558 15.6655 15.6655 16.5861 16.5861 16.6037 16.6037 17.9815 17.9815 18.0578 18.0578 18.6387 18.6387 k = 0.0333 0.0577 0.3895 ( 3152 PWs) bands (ev): -4.5658 -4.5658 -4.5658 -4.5658 -4.3579 -4.3579 -4.3578 -4.3578 -2.1249 -2.1249 -2.1248 -2.1248 -1.9404 -1.9404 -1.9403 -1.9403 -1.7933 -1.7933 -1.7933 -1.7933 3.2225 3.2225 3.2226 3.2226 9.9337 9.9337 9.9350 9.9350 10.0722 10.0722 10.0732 10.0732 11.0065 11.0065 11.0089 11.0089 11.9963 11.9963 11.9983 11.9983 12.1156 12.1156 12.1215 12.1215 15.7315 15.7315 15.7379 15.7379 16.5895 16.5895 16.6010 16.6010 18.0329 18.0329 18.0899 18.0899 18.5859 18.5859 k = 0.0267 0.0462 0.3895 ( 3148 PWs) bands (ev): -4.5658 -4.5658 -4.5658 -4.5658 -4.3580 -4.3580 -4.3580 -4.3580 -2.1250 -2.1250 -2.1249 -2.1249 -1.9403 -1.9403 -1.9403 -1.9403 -1.7937 -1.7937 -1.7937 -1.7937 3.2127 3.2127 3.2128 3.2128 9.9360 9.9360 9.9367 9.9367 10.0729 10.0729 10.0734 10.0734 11.0116 11.0116 11.0128 11.0128 12.0052 12.0052 12.0064 12.0064 12.1158 12.1158 12.1190 12.1190 15.7970 15.7970 15.8007 15.8007 16.5909 16.5909 16.5974 16.5974 18.0830 18.0830 18.1214 18.1214 18.5352 18.5352 k = 0.0200 0.0346 0.3895 ( 3144 PWs) bands (ev): -4.5659 -4.5659 -4.5659 -4.5659 -4.3581 -4.3581 -4.3581 -4.3581 -2.1251 -2.1251 -2.1250 -2.1250 -1.9403 -1.9403 -1.9403 -1.9403 -1.7940 -1.7940 -1.7940 -1.7940 3.2050 3.2050 3.2051 3.2051 9.9377 9.9377 9.9379 9.9379 10.0736 10.0736 10.0738 10.0738 11.0154 11.0154 11.0159 11.0159 12.0124 12.0124 12.0131 12.0131 12.1155 12.1155 12.1170 12.1170 15.8504 15.8504 15.8522 15.8522 16.5908 16.5908 16.5938 16.5938 18.1309 18.1309 18.1527 18.1527 18.4871 18.4871 k = 0.0133 0.0231 0.3895 ( 3142 PWs) bands (ev): -4.5659 -4.5659 -4.5659 -4.5659 -4.3582 -4.3582 -4.3582 -4.3582 -2.1251 -2.1251 -2.1251 -2.1251 -1.9402 -1.9402 -1.9402 -1.9402 -1.7942 -1.7942 -1.7942 -1.7942 3.1995 3.1995 3.1995 3.1995 9.9387 9.9387 9.9388 9.9388 10.0741 10.0741 10.0742 10.0742 11.0180 11.0180 11.0182 11.0182 12.0179 12.0179 12.0181 12.0181 12.1149 12.1149 12.1154 12.1154 15.8900 15.8900 15.8906 15.8906 16.5899 16.5899 16.5909 16.5909 18.1744 18.1744 18.1834 18.1834 18.4431 18.4431 k = 0.0067 0.0115 0.3895 ( 3142 PWs) bands (ev): -4.5659 -4.5659 -4.5659 -4.5659 -4.3582 -4.3582 -4.3582 -4.3582 -2.1252 -2.1252 -2.1252 -2.1252 -1.9402 -1.9402 -1.9402 -1.9402 -1.7943 -1.7943 -1.7943 -1.7943 3.1962 3.1962 3.1962 3.1962 9.9393 9.9393 9.9393 9.9393 10.0744 10.0744 10.0744 10.0744 11.0195 11.0195 11.0196 11.0196 12.0212 12.0212 12.0213 12.0213 12.1144 12.1144 12.1145 12.1145 15.9143 15.9143 15.9144 15.9144 16.5889 16.5889 16.5891 16.5891 18.2086 18.2086 18.2101 18.2101 18.4078 18.4078 k = 0.0000 0.0000 0.3895 ( 3154 PWs) bands (ev): -4.5659 -4.5659 -4.5659 -4.5659 -4.3583 -4.3583 -4.3583 -4.3583 -2.1252 -2.1252 -2.1252 -2.1252 -1.9402 -1.9402 -1.9402 -1.9402 -1.7944 -1.7944 -1.7944 -1.7944 3.1951 3.1951 3.1951 3.1951 9.9394 9.9394 9.9394 9.9394 10.0745 10.0745 10.0745 10.0745 11.0200 11.0200 11.0200 11.0200 12.0223 12.0223 12.0223 12.0223 12.1142 12.1142 12.1142 12.1142 15.9225 15.9225 15.9225 15.9225 16.5885 16.5885 16.5885 16.5885 18.2224 18.2224 18.2224 18.2224 18.3924 18.3924 k = 0.5000 0.2887 0.3895 ( 3152 PWs) bands (ev): -4.5615 -4.5615 -4.5615 -4.5615 -4.3464 -4.3464 -4.3464 -4.3464 -2.1124 -2.1124 -2.1124 -2.1124 -1.9444 -1.9444 -1.9444 -1.9444 -1.7592 -1.7592 -1.7592 -1.7592 4.2145 4.2145 4.2145 4.2145 9.3750 9.3750 9.3750 9.3750 10.2625 10.2625 10.2625 10.2625 10.5707 10.5707 10.5707 10.5707 11.5283 11.5283 11.5283 11.5283 11.9433 11.9433 11.9433 11.9433 12.8531 12.8531 12.8531 12.8531 15.9449 15.9449 15.9449 15.9449 17.6548 17.6548 17.6548 17.6548 18.9751 18.9751 k = 0.5000 0.2887 0.3760 ( 3152 PWs) bands (ev): -4.5712 -4.5712 -4.5528 -4.5528 -4.3488 -4.3488 -4.3441 -4.3441 -2.1333 -2.1333 -2.0905 -2.0905 -1.9626 -1.9626 -1.9261 -1.9261 -1.7626 -1.7626 -1.7556 -1.7556 4.1388 4.1388 4.2937 4.2937 9.2991 9.2991 9.4501 9.4501 10.2387 10.2387 10.2858 10.2858 10.5487 10.5487 10.5927 10.5927 11.5272 11.5272 11.5300 11.5300 11.9256 11.9256 11.9615 11.9615 12.8460 12.8460 12.8623 12.8623 15.8113 15.8113 16.0771 16.0771 17.6111 17.6111 17.6707 17.6707 18.8660 18.8660 k = 0.5000 0.2887 0.3626 ( 3152 PWs) bands (ev): -4.5818 -4.5818 -4.5451 -4.5451 -4.3512 -4.3512 -4.3419 -4.3419 -2.1530 -2.1530 -2.0678 -2.0678 -1.9806 -1.9806 -1.9077 -1.9077 -1.7658 -1.7658 -1.7519 -1.7519 4.0664 4.0664 4.3763 4.3763 9.2228 9.2228 9.5238 9.5238 10.2148 10.2148 10.3085 10.3085 10.5266 10.5266 10.6147 10.6147 11.5268 11.5268 11.5322 11.5322 11.9085 11.9085 11.9802 11.9802 12.8411 12.8411 12.8732 12.8732 15.6777 15.6777 16.2060 16.2060 17.5379 17.5379 17.6639 17.6639 18.7916 18.7916 k = 0.5000 0.2887 0.3492 ( 3156 PWs) bands (ev): -4.5934 -4.5934 -4.5384 -4.5384 -4.3537 -4.3537 -4.3397 -4.3397 -2.1716 -2.1716 -2.0443 -2.0443 -1.9982 -1.9982 -1.8894 -1.8894 -1.7688 -1.7688 -1.7481 -1.7481 3.9974 3.9974 4.4624 4.4624 9.1465 9.1465 9.5956 9.5956 10.1909 10.1909 10.3301 10.3301 10.5044 10.5044 10.6369 10.6369 11.5274 11.5274 11.5347 11.5347 11.8921 11.8921 11.9993 11.9993 12.8388 12.8388 12.8855 12.8855 15.5447 15.5447 16.3273 16.3273 17.4406 17.4406 17.6400 17.6400 18.7522 18.7522 k = 0.5000 0.2887 0.3358 ( 3152 PWs) bands (ev): -4.6059 -4.6059 -4.5326 -4.5326 -4.3563 -4.3563 -4.3377 -4.3377 -2.1890 -2.1890 -2.0208 -2.0208 -2.0150 -2.0150 -1.8713 -1.8713 -1.7713 -1.7713 -1.7443 -1.7443 3.9317 3.9317 4.5521 4.5521 9.0707 9.0707 9.6651 9.6651 10.1672 10.1672 10.3496 10.3496 10.4827 10.4827 10.6595 10.6595 11.5289 11.5289 11.5375 11.5375 11.8765 11.8765 12.0187 12.0187 12.8396 12.8396 12.8991 12.8991 15.4128 15.4128 16.4323 16.4323 17.3341 17.3341 17.6034 17.6034 18.7433 18.7433 k = 0.5000 0.2887 0.3223 ( 3150 PWs) bands (ev): -4.6192 -4.6192 -4.5278 -4.5278 -4.3589 -4.3589 -4.3357 -4.3357 -2.2050 -2.2050 -2.0328 -2.0328 -1.9956 -1.9956 -1.8537 -1.8537 -1.7732 -1.7732 -1.7404 -1.7404 3.8692 3.8692 4.6453 4.6453 8.9956 8.9956 9.7315 9.7315 10.1437 10.1437 10.3650 10.3650 10.4632 10.4632 10.6825 10.6825 11.5314 11.5314 11.5406 11.5406 11.8617 11.8617 12.0384 12.0384 12.8438 12.8438 12.9138 12.9138 15.2824 15.2824 16.5020 16.5020 17.2451 17.2451 17.5573 17.5573 18.7580 18.7580 k = 0.5000 0.2887 0.3089 ( 3142 PWs) bands (ev): -4.6332 -4.6332 -4.5238 -4.5238 -4.3615 -4.3615 -4.3339 -4.3339 -2.2198 -2.2198 -2.0493 -2.0493 -1.9710 -1.9710 -1.8369 -1.8369 -1.7739 -1.7739 -1.7366 -1.7366 3.8099 3.8099 4.7419 4.7419 8.9215 8.9215 9.7944 9.7944 10.1205 10.1205 10.3709 10.3709 10.4507 10.4507 10.7059 10.7059 11.5345 11.5345 11.5445 11.5445 11.8481 11.8481 12.0584 12.0584 12.8520 12.8520 12.9294 12.9294 15.1536 15.1536 16.5066 16.5066 17.2100 17.2100 17.5037 17.5037 18.7906 18.7906 k = 0.5000 0.2887 0.2955 ( 3142 PWs) bands (ev): -4.6479 -4.6479 -4.5207 -4.5207 -4.3641 -4.3641 -4.3321 -4.3321 -2.2332 -2.2332 -2.0654 -2.0654 -1.9465 -1.9465 -1.8217 -1.8217 -1.7728 -1.7728 -1.7326 -1.7326 3.7537 3.7537 4.8421 4.8421 8.8487 8.8487 9.8532 9.8532 10.0978 10.0978 10.3612 10.3612 10.4510 10.4510 10.7298 10.7298 11.5374 11.5374 11.5499 11.5499 11.8356 11.8356 12.0785 12.0785 12.8646 12.8646 12.9458 12.9458 15.0267 15.0267 16.4330 16.4330 17.2463 17.2463 17.4452 17.4452 18.8365 18.8365 k = 0.5000 0.2887 0.2820 ( 3144 PWs) bands (ev): -4.6632 -4.6632 -4.5184 -4.5184 -4.3667 -4.3667 -4.3304 -4.3304 -2.2454 -2.2454 -2.0810 -2.0810 -1.9227 -1.9227 -1.8093 -1.8093 -1.7683 -1.7683 -1.7286 -1.7286 3.7006 3.7006 4.9457 4.9457 8.7774 8.7774 9.9076 9.9076 10.0755 10.0755 10.3385 10.3385 10.4610 10.4610 10.7541 10.7541 11.5394 11.5394 11.5575 11.5575 11.8245 11.8245 12.0986 12.0986 12.8823 12.8823 12.9628 12.9628 14.9017 14.9017 16.3047 16.3047 17.3192 17.3192 17.3976 17.3976 18.8927 18.8927 k = 0.5000 0.2887 0.2686 ( 3144 PWs) bands (ev): -4.6789 -4.6789 -4.5167 -4.5167 -4.3694 -4.3694 -4.3288 -4.3288 -2.2563 -2.2563 -2.0961 -2.0961 -1.9000 -1.9000 -1.8007 -1.8007 -1.7592 -1.7592 -1.7246 -1.7246 3.6504 3.6504 5.0526 5.0526 8.7079 8.7079 9.9570 9.9570 10.0537 10.0537 10.3088 10.3088 10.4745 10.4745 10.7784 10.7784 11.5402 11.5402 11.5673 11.5673 11.8150 11.8150 12.1186 12.1186 12.9055 12.9055 12.9804 12.9804 14.7789 14.7789 16.1496 16.1496 17.2898 17.2898 17.4749 17.4749 18.9574 18.9574 k = 0.5000 0.2887 0.2552 ( 3144 PWs) bands (ev): -4.6950 -4.6950 -4.5157 -4.5157 -4.3720 -4.3720 -4.3273 -4.3273 -2.2659 -2.2659 -2.1106 -2.1106 -1.8795 -1.8795 -1.7941 -1.7941 -1.7467 -1.7467 -1.7203 -1.7203 3.6031 3.6031 5.1629 5.1629 8.6402 8.6402 10.0011 10.0011 10.0326 10.0326 10.2747 10.2747 10.4886 10.4886 10.8026 10.8026 11.5401 11.5401 11.5792 11.5792 11.8074 11.8074 12.1383 12.1383 12.9347 12.9347 12.9987 12.9987 14.6583 14.6583 15.9835 15.9835 17.2151 17.2151 17.6066 17.6066 19.0292 19.0292 k = 0.5000 0.2887 0.2417 ( 3148 PWs) bands (ev): -4.7113 -4.7113 -4.5153 -4.5153 -4.3746 -4.3746 -4.3259 -4.3259 -2.2744 -2.2744 -2.1245 -2.1245 -1.8624 -1.8624 -1.7867 -1.7867 -1.7327 -1.7327 -1.7154 -1.7154 3.5587 3.5587 5.2763 5.2763 8.5746 8.5746 10.0116 10.0116 10.0394 10.0394 10.2379 10.2379 10.5022 10.5022 10.8262 10.8262 11.5391 11.5391 11.5930 11.5930 11.8017 11.8017 12.1578 12.1578 12.9696 12.9696 13.0184 13.0184 14.5401 14.5401 15.8144 15.8144 17.1320 17.1320 17.7493 17.7493 19.1072 19.1072 k = 0.5000 0.2887 0.2283 ( 3156 PWs) bands (ev): -4.7277 -4.7277 -4.5154 -4.5154 -4.3771 -4.3771 -4.3246 -4.3246 -2.2818 -2.2818 -2.1378 -2.1378 -1.8502 -1.8502 -1.7764 -1.7764 -1.7198 -1.7198 -1.7086 -1.7086 3.5171 3.5171 5.3927 5.3927 8.5110 8.5110 9.9912 9.9912 10.0696 10.0696 10.2006 10.2006 10.5147 10.5147 10.8489 10.8489 11.5371 11.5371 11.6083 11.6083 11.7985 11.7985 12.1768 12.1768 13.0075 13.0075 13.0426 13.0426 14.4244 14.4244 15.6469 15.6469 17.0426 17.0426 17.8978 17.8978 19.1909 19.1909 k = 0.5000 0.2887 0.2149 ( 3142 PWs) bands (ev): -4.7440 -4.7440 -4.5159 -4.5159 -4.3796 -4.3796 -4.3234 -4.3234 -2.2882 -2.2882 -2.1504 -2.1504 -1.8429 -1.8429 -1.7628 -1.7628 -1.7108 -1.7108 -1.6973 -1.6973 3.4782 3.4782 5.5120 5.5120 8.4497 8.4497 9.9708 9.9708 10.0840 10.0840 10.1713 10.1713 10.5261 10.5261 10.8702 10.8702 11.5342 11.5342 11.6245 11.6245 11.7980 11.7980 12.1953 12.1953 13.0382 13.0382 13.0818 13.0818 14.3112 14.3112 15.4836 15.4836 16.9473 16.9473 18.0496 18.0496 19.2800 19.2800 k = 0.5000 0.2887 0.2015 ( 3142 PWs) bands (ev): -4.7601 -4.7601 -4.5168 -4.5168 -4.3821 -4.3821 -4.3223 -4.3223 -2.2936 -2.2936 -2.1623 -2.1623 -1.8393 -1.8393 -1.7478 -1.7478 -1.7036 -1.7036 -1.6833 -1.6833 3.4420 3.4420 5.6339 5.6339 8.3906 8.3906 9.9495 9.9495 10.0660 10.0660 10.1675 10.1675 10.5361 10.5361 10.8897 10.8897 11.5305 11.5305 11.6411 11.6411 11.8007 11.8007 12.2133 12.2133 13.0599 13.0599 13.1378 13.1378 14.2009 14.2009 15.3264 15.3264 16.8463 16.8463 18.2036 18.2036 19.3740 19.3740 k = 0.5000 0.2887 0.1880 ( 3136 PWs) bands (ev): -4.7760 -4.7760 -4.5180 -4.5180 -4.3844 -4.3844 -4.3212 -4.3212 -2.2982 -2.2982 -2.1735 -2.1735 -1.8378 -1.8378 -1.7339 -1.7339 -1.6950 -1.6950 -1.6691 -1.6691 3.4083 3.4083 5.7582 5.7582 8.3337 8.3337 9.9256 9.9256 10.0260 10.0260 10.1812 10.1812 10.5449 10.5449 10.9073 10.9073 11.5262 11.5262 11.6572 11.6572 11.8071 11.8071 12.2310 12.2310 13.0785 13.0785 13.2047 13.2047 14.0935 14.0935 15.1766 15.1766 16.7398 16.7398 18.3587 18.3587 19.4726 19.4726 k = 0.5000 0.2887 0.1746 ( 3122 PWs) bands (ev): -4.7913 -4.7913 -4.5194 -4.5194 -4.3867 -4.3867 -4.3203 -4.3203 -2.3020 -2.3020 -2.1841 -2.1841 -1.8377 -1.8377 -1.7231 -1.7231 -1.6834 -1.6834 -1.6552 -1.6552 3.3773 3.3773 5.8845 5.8845 8.2790 8.2790 9.8942 9.8942 9.9836 9.9836 10.1977 10.1977 10.5525 10.5525 10.9226 10.9226 11.5213 11.5213 11.6718 11.6718 11.8177 11.8177 12.2485 12.2485 13.0959 13.0959 13.2803 13.2803 13.9892 13.9892 15.0353 15.0353 16.6280 16.6280 18.5141 18.5141 19.5752 19.5752 k = 0.5000 0.2887 0.1612 ( 3126 PWs) bands (ev): -4.8061 -4.8061 -4.5210 -4.5210 -4.3888 -4.3888 -4.3194 -4.3194 -2.3050 -2.3050 -2.1939 -2.1939 -1.8382 -1.8382 -1.7156 -1.7156 -1.6691 -1.6691 -1.6419 -1.6419 3.3487 3.3487 6.0124 6.0124 8.2264 8.2264 9.8489 9.8489 9.9498 9.9498 10.2132 10.2132 10.5591 10.5591 10.9357 10.9357 11.5160 11.5160 11.6842 11.6842 11.8325 11.8325 12.2662 12.2662 13.1123 13.1123 13.3636 13.3636 13.8885 13.8885 14.9032 14.9032 16.5112 16.5112 18.6690 18.6690 19.6806 19.6806 k = 0.5000 0.2887 0.1477 ( 3120 PWs) bands (ev): -4.8202 -4.8202 -4.5226 -4.5226 -4.3908 -4.3908 -4.3186 -4.3186 -2.3075 -2.3075 -2.2029 -2.2029 -1.8391 -1.8391 -1.7105 -1.7105 -1.6536 -1.6536 -1.6293 -1.6293 3.3226 3.3226 6.1416 6.1416 8.1757 8.1757 9.7897 9.7897 9.9262 9.9262 10.2269 10.2269 10.5646 10.5646 10.9467 10.9467 11.5104 11.5104 11.6943 11.6943 11.8511 11.8511 12.2845 12.2845 13.1278 13.1278 13.4536 13.4536 13.7919 13.7919 14.7810 14.7810 16.3896 16.3896 18.8221 18.8221 19.7849 19.7849 k = 0.5000 0.2887 0.1343 ( 3122 PWs) bands (ev): -4.8335 -4.8335 -4.5244 -4.5244 -4.3927 -4.3927 -4.3179 -4.3179 -2.3095 -2.3095 -2.2112 -2.2112 -1.8402 -1.8402 -1.7066 -1.7066 -1.6382 -1.6382 -1.6174 -1.6174 3.2990 3.2990 6.2715 6.2715 8.1266 8.1266 9.7216 9.7216 9.9087 9.9087 10.2387 10.2387 10.5693 10.5693 10.9555 10.9555 11.5049 11.5049 11.7022 11.7022 11.8727 11.8727 12.3037 12.3037 13.1421 13.1421 13.5474 13.5474 13.7019 13.7019 14.6695 14.6695 16.2636 16.2636 18.9719 18.9719 19.8733 19.8733 k = 0.5000 0.2887 0.1209 ( 3126 PWs) bands (ev): -4.8459 -4.8459 -4.5261 -4.5261 -4.3945 -4.3945 -4.3173 -4.3173 -2.3110 -2.3110 -2.2187 -2.2187 -1.8413 -1.8413 -1.7036 -1.7036 -1.6235 -1.6235 -1.6062 -1.6062 3.2777 3.2777 6.4014 6.4014 8.0789 8.0789 9.6485 9.6485 9.8947 9.8947 10.2486 10.2486 10.5732 10.5732 10.9625 10.9625 11.4995 11.4995 11.7083 11.7083 11.8959 11.8959 12.3244 12.3244 13.1547 13.1547 13.5918 13.5918 13.6714 13.6714 14.5694 14.5694 16.1338 16.1338 19.1156 19.1156 19.9133 19.9133 k = 0.5000 0.2887 0.1074 ( 3134 PWs) bands (ev): -4.8572 -4.8572 -4.5278 -4.5278 -4.3961 -4.3961 -4.3167 -4.3167 -2.3121 -2.3121 -2.2255 -2.2255 -1.8424 -1.8424 -1.7011 -1.7011 -1.6102 -1.6102 -1.5958 -1.5958 3.2587 3.2587 6.5306 6.5306 8.0320 8.0320 9.5728 9.5728 9.8829 9.8829 10.2569 10.2569 10.5765 10.5765 10.9678 10.9678 11.4944 11.4944 11.7131 11.7131 11.9195 11.9195 12.3469 12.3469 13.1649 13.1649 13.5193 13.5193 13.7671 13.7671 14.4820 14.4820 16.0005 16.0005 19.2488 19.2488 19.9229 19.9229 k = 0.5000 0.2887 0.0940 ( 3130 PWs) bands (ev): -4.8674 -4.8674 -4.5293 -4.5293 -4.3975 -4.3975 -4.3162 -4.3162 -2.3130 -2.3130 -2.2314 -2.2314 -1.8435 -1.8435 -1.6990 -1.6990 -1.5984 -1.5984 -1.5861 -1.5861 3.2421 3.2421 6.6580 6.6580 7.9854 7.9854 9.4967 9.4967 9.8729 9.8729 10.2638 10.2638 10.5793 10.5793 10.9718 10.9718 11.4897 11.4897 11.7168 11.7168 11.9423 11.9423 12.3717 12.3717 13.1709 13.1709 13.4453 13.4453 13.8726 13.8726 14.4097 14.4097 15.8643 15.8643 19.3639 19.3639 19.9413 19.9413 k = 0.5000 0.2887 0.0806 ( 3130 PWs) bands (ev): -4.8765 -4.8765 -4.5308 -4.5308 -4.3988 -4.3988 -4.3158 -4.3158 -2.3136 -2.3136 -2.2366 -2.2366 -1.8445 -1.8445 -1.6972 -1.6972 -1.5886 -1.5886 -1.5770 -1.5770 3.2277 3.2277 6.7825 6.7825 7.9385 7.9385 9.4225 9.4225 9.8645 9.8645 10.2693 10.2693 10.5815 10.5815 10.9746 10.9746 11.4854 11.4854 11.7197 11.7197 11.9634 11.9634 12.3986 12.3986 13.1695 13.1695 13.3816 13.3816 13.9729 13.9729 14.3591 14.3591 15.7257 15.7257 19.4515 19.4515 19.9873 19.9873 k = 0.5000 0.2887 0.0672 ( 3138 PWs) bands (ev): -4.8842 -4.8842 -4.5321 -4.5321 -4.3999 -4.3999 -4.3155 -4.3155 -2.3140 -2.3140 -2.2410 -2.2410 -1.8453 -1.8453 -1.6957 -1.6957 -1.5806 -1.5806 -1.5688 -1.5688 3.2156 3.2156 6.9025 6.9025 7.8906 7.8906 9.3526 9.3526 9.8574 9.8574 10.2738 10.2738 10.5834 10.5834 10.9765 10.9765 11.4817 11.4817 11.7220 11.7220 11.9819 11.9819 12.4275 12.4275 13.1556 13.1556 13.3346 13.3346 14.0503 14.0503 14.3467 14.3467 15.5854 15.5854 19.5070 19.5070 20.0678 20.0678 k = 0.5000 0.2887 0.0537 ( 3146 PWs) bands (ev): -4.8907 -4.8907 -4.5332 -4.5332 -4.4008 -4.4008 -4.3152 -4.3152 -2.3142 -2.3142 -2.2446 -2.2446 -1.8461 -1.8461 -1.6946 -1.6946 -1.5743 -1.5743 -1.5616 -1.5616 3.2057 3.2057 7.0158 7.0158 7.8415 7.8415 9.2898 9.2898 9.8517 9.8517 10.2772 10.2772 10.5848 10.5848 10.9778 10.9778 11.4786 11.4786 11.7237 11.7237 11.9974 11.9974 12.4572 12.4572 13.1265 13.1265 13.3081 13.3081 14.0821 14.0821 14.3945 14.3945 15.4439 15.4439 19.5360 19.5360 20.1774 20.1774 k = 0.5000 0.2887 0.0403 ( 3148 PWs) bands (ev): -4.8957 -4.8957 -4.5340 -4.5340 -4.4015 -4.4015 -4.3150 -4.3150 -2.3144 -2.3144 -2.2474 -2.2474 -1.8466 -1.8466 -1.6937 -1.6937 -1.5695 -1.5695 -1.5559 -1.5559 3.1980 3.1980 7.1194 7.1194 7.7917 7.7917 9.2369 9.2369 9.8473 9.8473 10.2798 10.2798 10.5859 10.5859 10.9785 10.9785 11.4762 11.4762 11.7250 11.7250 12.0097 12.0097 12.4861 12.4861 13.0890 13.0890 13.2972 13.2972 14.0785 14.0785 14.4917 14.4917 15.3018 15.3018 19.5490 19.5490 20.3053 20.3053 k = 0.5000 0.2887 0.0269 ( 3148 PWs) bands (ev): -4.8994 -4.8994 -4.5347 -4.5347 -4.4020 -4.4020 -4.3148 -4.3148 -2.3145 -2.3145 -2.2493 -2.2493 -1.8471 -1.8471 -1.6930 -1.6930 -1.5662 -1.5662 -1.5516 -1.5516 3.1926 3.1926 7.2079 7.2079 7.7439 7.7439 9.1967 9.1967 9.8441 9.8441 10.2815 10.2815 10.5867 10.5867 10.9790 10.9790 11.4745 11.4745 11.7259 11.7259 12.0184 12.0184 12.5112 12.5112 13.0536 13.0536 13.2938 13.2938 14.0653 14.0653 14.6119 14.6119 15.1600 15.1600 19.5541 19.5541 20.4419 20.4419 k = 0.5000 0.2887 0.0134 ( 3144 PWs) bands (ev): -4.9016 -4.9016 -4.5350 -4.5350 -4.4023 -4.4023 -4.3147 -4.3147 -2.3146 -2.3146 -2.2505 -2.2505 -1.8473 -1.8473 -1.6927 -1.6927 -1.5642 -1.5642 -1.5491 -1.5491 3.1893 3.1893 7.2718 7.2718 7.7054 7.7054 9.1714 9.1714 9.8422 9.8422 10.2826 10.2826 10.5872 10.5872 10.9792 10.9792 11.4734 11.4734 11.7264 11.7264 12.0236 12.0236 12.5288 12.5288 13.0285 13.0285 13.2932 13.2932 14.0548 14.0548 14.7422 14.7422 15.0192 15.0192 19.5557 19.5557 20.5782 20.5782 k = 0.5000 0.2887-0.0000 ( 3152 PWs) bands (ev): -4.9023 -4.9023 -4.5352 -4.5352 -4.4024 -4.4024 -4.3147 -4.3147 -2.3146 -2.3146 -2.2509 -2.2509 -1.8474 -1.8474 -1.6925 -1.6925 -1.5636 -1.5636 -1.5482 -1.5482 3.1882 3.1882 7.2961 7.2961 7.6897 7.6897 9.1628 9.1628 9.8416 9.8416 10.2829 10.2829 10.5873 10.5873 10.9793 10.9793 11.4731 11.4731 11.7266 11.7266 12.0254 12.0254 12.5352 12.5352 13.0195 13.0195 13.2932 13.2932 14.0509 14.0509 14.8643 14.8643 14.8940 14.8940 19.5560 19.5560 20.6757 20.6757 k = 0.3333 0.5774-0.0000 ( 3111 PWs) bands (ev): -4.9012 -4.9012 -4.5345 -4.5345 -4.3999 -4.3999 -4.3150 -4.3150 -2.3135 -2.3135 -2.2501 -2.2501 -1.8479 -1.8479 -1.6799 -1.6799 -1.5647 -1.5647 -1.5507 -1.5507 3.3651 3.3651 7.2547 7.2547 8.8537 8.8537 9.0104 9.0104 9.2618 9.2618 10.0950 10.0950 10.2180 10.2180 10.4696 10.4696 11.4106 11.4106 11.5151 11.5151 12.0619 12.0619 12.2370 12.2370 12.2444 12.2444 13.5683 13.5683 14.0396 14.0396 16.5581 16.5581 16.8208 16.8208 17.2963 17.2963 17.3696 17.3696 k = 0.3333 0.5774 0.0134 ( 3117 PWs) bands (ev): -4.9004 -4.9004 -4.5344 -4.5344 -4.3998 -4.3998 -4.3151 -4.3151 -2.3134 -2.3134 -2.2497 -2.2497 -1.8478 -1.8478 -1.6800 -1.6800 -1.5653 -1.5653 -1.5516 -1.5516 3.3662 3.3662 7.2413 7.2413 8.8534 8.8534 9.0220 9.0220 9.2608 9.2608 10.0980 10.0980 10.2196 10.2196 10.4701 10.4701 11.4113 11.4113 11.5153 11.5153 12.0580 12.0580 12.2365 12.2365 12.2484 12.2484 13.5654 13.5654 14.0482 14.0482 16.5203 16.5203 16.7547 16.7547 17.3646 17.3646 17.4096 17.4096 k = 0.3333 0.5774 0.0269 ( 3129 PWs) bands (ev): -4.8983 -4.8983 -4.5340 -4.5340 -4.3995 -4.3995 -4.3151 -4.3151 -2.3134 -2.3134 -2.2485 -2.2485 -1.8476 -1.8476 -1.6804 -1.6804 -1.5672 -1.5672 -1.5544 -1.5544 3.3694 3.3694 7.2024 7.2024 8.8524 8.8524 9.0554 9.0554 9.2577 9.2577 10.1066 10.1066 10.2245 10.2245 10.4715 10.4715 11.4133 11.4133 11.5158 11.5158 12.0472 12.0472 12.2351 12.2351 12.2596 12.2596 13.5572 13.5572 14.0735 14.0735 16.4234 16.4234 16.6130 16.6130 17.5128 17.5128 17.5131 17.5131 k = 0.3333 0.5774 0.0403 ( 3123 PWs) bands (ev): -4.8946 -4.8946 -4.5334 -4.5334 -4.3990 -4.3990 -4.3153 -4.3153 -2.3133 -2.3133 -2.2465 -2.2465 -1.8471 -1.8471 -1.6810 -1.6810 -1.5702 -1.5702 -1.5590 -1.5590 3.3747 3.3747 7.1409 7.1409 8.8511 8.8511 9.1074 9.1074 9.2527 9.2527 10.1210 10.1210 10.2327 10.2327 10.4739 10.4739 11.4168 11.4168 11.5167 11.5167 12.0315 12.0315 12.2327 12.2327 12.2760 12.2760 13.5451 13.5451 14.1141 14.1141 16.2942 16.2942 16.4483 16.4483 17.6532 17.6532 17.6884 17.6884 k = 0.3333 0.5774 0.0537 ( 3123 PWs) bands (ev): -4.8896 -4.8896 -4.5325 -4.5325 -4.3983 -4.3983 -4.3155 -4.3155 -2.3132 -2.3132 -2.2437 -2.2437 -1.8464 -1.8464 -1.6818 -1.6818 -1.5744 -1.5744 -1.5654 -1.5654 3.3822 3.3822 7.0610 7.0610 8.8496 8.8496 9.1736 9.1736 9.2460 9.2460 10.1407 10.1407 10.2439 10.2439 10.4774 10.4774 11.4216 11.4216 11.5179 11.5179 12.0129 12.0129 12.2294 12.2294 12.2955 12.2955 13.5308 13.5308 14.1685 14.1685 16.1498 16.1498 16.2766 16.2766 17.8130 17.8130 17.8753 17.8753 k = 0.3333 0.5774 0.0672 ( 3126 PWs) bands (ev): -4.8831 -4.8831 -4.5315 -4.5315 -4.3974 -4.3974 -4.3157 -4.3157 -2.3130 -2.3130 -2.2401 -2.2401 -1.8455 -1.8455 -1.6828 -1.6828 -1.5798 -1.5798 -1.5737 -1.5737 3.3919 3.3919 6.9667 6.9667 8.8479 8.8479 9.2378 9.2378 9.2499 9.2499 10.1655 10.1655 10.2581 10.2581 10.4820 10.4820 11.4277 11.4277 11.5194 11.5194 11.9925 11.9925 12.2251 12.2251 12.3170 12.3170 13.5155 13.5155 14.2352 14.2352 15.9986 15.9986 16.1033 16.1033 17.9841 17.9841 18.0682 18.0682 k = 0.3333 0.5774 0.0806 ( 3126 PWs) bands (ev): -4.8754 -4.8754 -4.5302 -4.5302 -4.3964 -4.3964 -4.3160 -4.3160 -2.3126 -2.3126 -2.2357 -2.2357 -1.8445 -1.8445 -1.6841 -1.6841 -1.5863 -1.5863 -1.5836 -1.5836 3.4037 3.4037 6.8617 6.8617 8.8460 8.8460 9.2285 9.2285 9.3327 9.3327 10.1950 10.1950 10.2750 10.2750 10.4878 10.4878 11.4351 11.4351 11.5211 11.5211 11.9714 11.9714 12.2201 12.2201 12.3395 12.3395 13.5002 13.5002 14.3132 14.3132 15.8451 15.8451 15.9302 15.9302 18.1623 18.1623 18.2651 18.2651 k = 0.3333 0.5774 0.0940 ( 3123 PWs) bands (ev): -4.8663 -4.8663 -4.5287 -4.5287 -4.3951 -4.3951 -4.3164 -4.3164 -2.3120 -2.3120 -2.2305 -2.2305 -1.8433 -1.8433 -1.6856 -1.6856 -1.5952 -1.5952 -1.5940 -1.5940 3.4178 3.4178 6.7488 6.7488 8.8440 8.8440 9.2184 9.2184 9.4189 9.4189 10.2289 10.2289 10.2944 10.2944 10.4951 10.4951 11.4437 11.4437 11.5231 11.5231 11.9499 11.9499 12.2143 12.2143 12.3623 12.3623 13.4855 13.4855 14.4017 14.4017 15.6919 15.6919 15.7585 15.7585 18.3451 18.3451 18.4648 18.4648 k = 0.3333 0.5774 0.1074 ( 3123 PWs) bands (ev): -4.8561 -4.8561 -4.5272 -4.5272 -4.3937 -4.3937 -4.3168 -4.3168 -2.3112 -2.3112 -2.2245 -2.2245 -1.8420 -1.8420 -1.6874 -1.6874 -1.6084 -1.6084 -1.6027 -1.6027 3.4341 3.4341 6.6305 6.6305 8.8418 8.8418 9.2076 9.2076 9.5059 9.5059 10.2669 10.2669 10.3157 10.3157 10.5041 10.5041 11.4535 11.4535 11.5253 11.5253 11.9287 11.9287 12.2078 12.2078 12.3852 12.3852 13.4716 13.4716 14.4995 14.4995 15.5412 15.5412 15.5888 15.5888 18.5311 18.5311 18.6668 18.6668 k = 0.3333 0.5774 0.1209 ( 3117 PWs) bands (ev): -4.8448 -4.8448 -4.5255 -4.5255 -4.3921 -4.3921 -4.3173 -4.3173 -2.3101 -2.3101 -2.2178 -2.2178 -1.8407 -1.8407 -1.6894 -1.6894 -1.6231 -1.6231 -1.6125 -1.6125 3.4526 3.4526 6.5086 6.5086 8.8394 8.8394 9.1964 9.1964 9.5921 9.5921 10.3087 10.3087 10.3385 10.3385 10.5154 10.5154 11.4643 11.4643 11.5277 11.5277 11.9078 11.9078 12.2007 12.2007 12.4078 12.4078 13.4588 13.4588 14.6047 14.6047 15.3957 15.3957 15.4213 15.4213 18.7194 18.7194 18.8706 18.8706 k = 0.3333 0.5774 0.1343 ( 3120 PWs) bands (ev): -4.8325 -4.8325 -4.5238 -4.5238 -4.3904 -4.3904 -4.3178 -4.3178 -2.3086 -2.3086 -2.2103 -2.2103 -1.8392 -1.8392 -1.6916 -1.6916 -1.6391 -1.6391 -1.6233 -1.6233 3.4735 3.4735 6.3846 6.3846 8.8370 8.8370 9.1851 9.1851 9.6758 9.6758 10.3538 10.3538 10.3618 10.3618 10.5295 10.5295 11.4761 11.4761 11.5302 11.5302 11.8875 11.8875 12.1932 12.1932 12.4297 12.4297 13.4471 13.4471 14.7117 14.7117 15.2563 15.2563 15.2614 15.2614 18.9091 18.9091 19.0758 19.0758 k = 0.3333 0.5774 0.1477 ( 3126 PWs) bands (ev): -4.8192 -4.8192 -4.5221 -4.5221 -4.3885 -4.3885 -4.3185 -4.3185 -2.3067 -2.3067 -2.2020 -2.2020 -1.8378 -1.8378 -1.6942 -1.6942 -1.6563 -1.6563 -1.6350 -1.6350 3.4966 3.4966 6.2596 6.2596 8.8344 8.8344 9.1738 9.1738 9.7559 9.7559 10.3847 10.3847 10.4020 10.4020 10.5472 10.5472 11.4888 11.4888 11.5329 11.5329 11.8681 11.8681 12.1854 12.1854 12.4508 12.4508 13.4366 13.4366 14.7997 14.7997 15.0940 15.0940 15.1596 15.1596 19.0996 19.0996 19.2823 19.2823 k = 0.3333 0.5774 0.1612 ( 3126 PWs) bands (ev): -4.8051 -4.8051 -4.5204 -4.5204 -4.3865 -4.3865 -4.3192 -4.3192 -2.3042 -2.3042 -2.1929 -2.1929 -1.8366 -1.8366 -1.6973 -1.6973 -1.6741 -1.6741 -1.6477 -1.6477 3.5222 3.5222 6.1345 6.1345 8.8319 8.8319 9.1626 9.1626 9.8318 9.8318 10.4061 10.4061 10.4529 10.4529 10.5696 10.5696 11.5021 11.5021 11.5356 11.5356 11.8495 11.8495 12.1776 12.1776 12.4709 12.4709 13.4271 13.4271 14.8056 14.8056 14.9347 14.9347 15.1536 15.1536 19.2903 19.2903 19.4897 19.4897 k = 0.3333 0.5774 0.1746 ( 3129 PWs) bands (ev): -4.7903 -4.7903 -4.5188 -4.5188 -4.3844 -4.3844 -4.3199 -4.3199 -2.3011 -2.3011 -2.1832 -2.1832 -1.8357 -1.8357 -1.7026 -1.7026 -1.6906 -1.6906 -1.6612 -1.6612 3.5501 3.5501 6.0101 6.0101 8.8293 8.8293 9.1518 9.1518 9.9028 9.9028 10.4252 10.4252 10.5064 10.5064 10.5971 10.5971 11.5159 11.5159 11.5385 11.5385 11.8321 11.8321 12.1701 12.1701 12.4897 12.4897 13.4185 13.4185 14.7174 14.7174 14.7785 14.7785 15.2556 15.2556 19.4802 19.4802 19.6976 19.6976 k = 0.3333 0.5774 0.1880 ( 3129 PWs) bands (ev): -4.7750 -4.7750 -4.5174 -4.5174 -4.3822 -4.3822 -4.3208 -4.3208 -2.2974 -2.2974 -2.1726 -2.1726 -1.8354 -1.8354 -1.7163 -1.7163 -1.6992 -1.6992 -1.6755 -1.6755 3.5805 3.5805 5.8869 5.8869 8.8267 8.8267 9.1413 9.1413 9.9685 9.9685 10.4415 10.4415 10.5619 10.5619 10.6298 10.6298 11.5298 11.5298 11.5416 11.5416 11.8159 11.8159 12.1631 12.1631 12.5071 12.5071 13.4110 13.4110 14.5984 14.5984 14.6256 14.6256 15.4023 15.4023 19.6685 19.6685 19.9058 19.9058 k = 0.3333 0.5774 0.2015 ( 3141 PWs) bands (ev): -4.7592 -4.7592 -4.5162 -4.5162 -4.3799 -4.3799 -4.3217 -4.3217 -2.2928 -2.2928 -2.1614 -2.1614 -1.8363 -1.8363 -1.7344 -1.7344 -1.7033 -1.7033 -1.6905 -1.6905 3.6134 3.6134 5.7655 5.7655 8.8242 8.8242 9.1313 9.1313 10.0288 10.0288 10.4553 10.4553 10.6193 10.6193 10.6671 10.6671 11.5436 11.5436 11.5447 11.5447 11.8011 11.8011 12.1571 12.1571 12.5228 12.5228 13.4042 13.4042 14.4735 14.4735 14.4761 14.4761 15.5691 15.5691 19.8539 19.8539 20.1139 20.1139 k = 0.3333 0.5774 0.2149 ( 3147 PWs) bands (ev): -4.7431 -4.7431 -4.5153 -4.5153 -4.3775 -4.3775 -4.3227 -4.3227 -2.2874 -2.2874 -2.1495 -2.1495 -1.8395 -1.8395 -1.7517 -1.7517 -1.7068 -1.7068 -1.7062 -1.7062 3.6489 3.6489 5.6461 5.6461 8.8217 8.8217 9.1218 9.1218 10.0837 10.0837 10.4669 10.4669 10.6782 10.6782 10.7081 10.7081 11.5482 11.5482 11.5567 11.5567 11.7878 11.7878 12.1527 12.1527 12.5365 12.5365 13.3982 13.3982 14.3302 14.3302 14.3493 14.3493 15.7493 15.7493 20.0342 20.0342 20.3214 20.3214 k = 0.3333 0.5774 0.2283 ( 3144 PWs) bands (ev): -4.7268 -4.7268 -4.5148 -4.5148 -4.3751 -4.3751 -4.3238 -4.3238 -2.2810 -2.2810 -2.1369 -2.1369 -1.8464 -1.8464 -1.7661 -1.7661 -1.7225 -1.7225 -1.7103 -1.7103 3.6870 3.6870 5.5292 5.5292 8.8193 8.8193 9.1130 9.1130 10.1334 10.1334 10.4767 10.4767 10.7381 10.7381 10.7518 10.7518 11.5519 11.5519 11.5687 11.5687 11.7762 11.7762 12.1504 12.1504 12.5480 12.5480 13.3929 13.3929 14.1882 14.1882 14.2286 14.2286 15.9403 15.9403 20.2062 20.2062 20.5279 20.5279 k = 0.3333 0.5774 0.2417 ( 3135 PWs) bands (ev): -4.7104 -4.7104 -4.5146 -4.5146 -4.3726 -4.3726 -4.3249 -4.3249 -2.2736 -2.2736 -2.1237 -2.1237 -1.8584 -1.8584 -1.7760 -1.7760 -1.7393 -1.7393 -1.7139 -1.7139 3.7277 3.7277 5.4150 5.4150 8.8171 8.8171 9.1047 9.1047 10.1780 10.1780 10.4851 10.4851 10.7970 10.7970 10.7987 10.7987 11.5559 11.5559 11.5790 11.5790 11.7665 11.7665 12.1509 12.1509 12.5570 12.5570 13.3882 13.3882 14.0505 14.0505 14.1127 14.1127 16.1407 16.1407 20.3632 20.3632 20.7328 20.7328 k = 0.3333 0.5774 0.2552 ( 3141 PWs) bands (ev): -4.6942 -4.6942 -4.5150 -4.5150 -4.3701 -4.3701 -4.3262 -4.3262 -2.2651 -2.2651 -2.1098 -2.1098 -1.8754 -1.8754 -1.7812 -1.7812 -1.7566 -1.7566 -1.7175 -1.7175 3.7712 3.7712 5.3037 5.3037 8.8149 8.8149 9.0971 9.0971 10.2178 10.2178 10.4922 10.4922 10.8426 10.8426 10.8596 10.8596 11.5603 11.5603 11.5868 11.5868 11.7590 11.7590 12.1550 12.1550 12.5632 12.5632 13.3840 13.3840 13.9172 13.9172 14.0029 14.0029 16.3496 16.3496 20.4913 20.4913 20.9354 20.9354 k = 0.3333 0.5774 0.2686 ( 3156 PWs) bands (ev): -4.6782 -4.6782 -4.5159 -4.5159 -4.3676 -4.3676 -4.3275 -4.3275 -2.2554 -2.2554 -2.0953 -2.0953 -1.8960 -1.8960 -1.7830 -1.7830 -1.7743 -1.7743 -1.7212 -1.7212 3.8175 3.8175 5.1954 5.1954 8.8130 8.8130 9.0902 9.0902 10.2531 10.2531 10.4983 10.4983 10.8876 10.8876 10.9202 10.9202 11.5651 11.5651 11.5915 11.5915 11.7539 11.7539 12.1634 12.1634 12.5664 12.5664 13.3804 13.3804 13.7888 13.7888 13.9001 13.9001 16.5662 16.5662 20.5621 20.5621 21.1348 21.1348 k = 0.3333 0.5774 0.2820 ( 3156 PWs) bands (ev): -4.6625 -4.6625 -4.5175 -4.5175 -4.3651 -4.3651 -4.3289 -4.3289 -2.2445 -2.2445 -2.0803 -2.0803 -1.9188 -1.9188 -1.7924 -1.7924 -1.7827 -1.7827 -1.7250 -1.7250 3.8667 3.8667 5.0904 5.0904 8.8112 8.8112 9.0840 9.0840 10.2842 10.2842 10.5034 10.5034 10.9310 10.9310 10.9800 10.9800 11.5701 11.5701 11.5926 11.5926 11.7516 11.7516 12.1767 12.1767 12.5663 12.5663 13.3773 13.3773 13.6659 13.6659 13.8053 13.8053 16.7899 16.7899 20.5369 20.5369 21.3300 21.3300 k = 0.3333 0.5774 0.2955 ( 3156 PWs) bands (ev): -4.6473 -4.6473 -4.5198 -4.5198 -4.3627 -4.3627 -4.3304 -4.3304 -2.2324 -2.2324 -2.0647 -2.0647 -1.9429 -1.9429 -1.8107 -1.8107 -1.7811 -1.7811 -1.7289 -1.7289 3.9187 3.9187 4.9887 4.9887 8.8096 8.8096 9.0785 9.0785 10.3113 10.3113 10.5075 10.5075 10.9715 10.9715 11.0384 11.0384 11.5751 11.5751 11.5896 11.5896 11.7524 11.7524 12.1950 12.1950 12.5628 12.5628 13.3746 13.3746 13.5492 13.5492 13.7195 13.7195 17.0199 17.0199 20.4122 20.4122 21.4554 21.4554 k = 0.3333 0.5774 0.3089 ( 3162 PWs) bands (ev): -4.6327 -4.6327 -4.5228 -4.5228 -4.3602 -4.3602 -4.3319 -4.3319 -2.2189 -2.2189 -2.0486 -2.0486 -1.9675 -1.9675 -1.8292 -1.8292 -1.7787 -1.7787 -1.7329 -1.7329 3.9737 3.9737 4.8903 4.8903 8.8081 8.8081 9.0737 9.0737 10.3347 10.3347 10.5108 10.5108 11.0082 11.0082 11.0947 11.0947 11.5798 11.5798 11.5823 11.5823 11.7563 11.7563 12.2182 12.2182 12.5560 12.5560 13.3724 13.3724 13.4396 13.4396 13.6436 13.6436 17.2556 17.2556 20.2244 20.2244 21.5627 21.5627 k = 0.3333 0.5774 0.3223 ( 3135 PWs) bands (ev): -4.6188 -4.6188 -4.5266 -4.5266 -4.3578 -4.3578 -4.3335 -4.3335 -2.2042 -2.2042 -2.0321 -2.0321 -1.9921 -1.9921 -1.8479 -1.8479 -1.7758 -1.7758 -1.7369 -1.7369 4.0318 4.0318 4.7954 4.7954 8.8069 8.8069 9.0696 9.0696 10.3544 10.3544 10.5134 10.5134 11.0404 11.0404 11.1482 11.1482 11.5711 11.5711 11.5840 11.5840 11.7633 11.7633 12.2457 12.2457 12.5465 12.5465 13.3385 13.3385 13.3706 13.3706 13.5784 13.5784 17.4964 17.4964 20.0038 20.0038 21.6897 21.6897 k = 0.3333 0.5774 0.3358 ( 3129 PWs) bands (ev): -4.6057 -4.6057 -4.5312 -4.5312 -4.3556 -4.3556 -4.3351 -4.3351 -2.1882 -2.1882 -2.0166 -2.0166 -2.0152 -2.0152 -1.8665 -1.8665 -1.7725 -1.7725 -1.7409 -1.7409 4.0929 4.0929 4.7040 4.7040 8.8059 8.8059 9.0663 9.0663 10.3706 10.3706 10.5152 10.5152 11.0672 11.0672 11.1980 11.1980 11.5563 11.5563 11.5875 11.5875 11.7724 11.7724 12.2758 12.2758 12.5351 12.5351 13.2477 13.2477 13.3693 13.3693 13.5245 13.5245 17.7417 17.7417 19.7659 19.7659 21.8214 21.8214 k = 0.3333 0.5774 0.3492 ( 3129 PWs) bands (ev): -4.5935 -4.5935 -4.5367 -4.5367 -4.3535 -4.3535 -4.3367 -4.3367 -2.1710 -2.1710 -2.0406 -2.0406 -1.9980 -1.9980 -1.8851 -1.8851 -1.7690 -1.7690 -1.7449 -1.7449 4.1571 4.1571 4.6163 4.6163 8.8051 8.8051 9.0637 9.0637 10.3833 10.3833 10.5164 10.5164 11.0882 11.0882 11.2426 11.2426 11.5390 11.5390 11.5901 11.5901 11.7825 11.7825 12.3061 12.3061 12.5232 12.5232 13.1700 13.1700 13.3685 13.3685 13.4823 13.4823 17.9908 17.9908 19.5185 19.5185 21.9500 21.9500 k = 0.3333 0.5774 0.3626 ( 3129 PWs) bands (ev): -4.5825 -4.5825 -4.5429 -4.5429 -4.3517 -4.3517 -4.3382 -4.3382 -2.1529 -2.1529 -2.0638 -2.0638 -1.9807 -1.9807 -1.9034 -1.9034 -1.7654 -1.7654 -1.7489 -1.7489 4.2242 4.2242 4.5322 4.5322 8.8045 8.8045 9.0619 9.0619 10.3924 10.3924 10.5171 10.5171 11.1034 11.1034 11.2800 11.2800 11.5213 11.5213 11.5918 11.5918 11.7918 11.7918 12.3330 12.3330 12.5128 12.5128 13.1091 13.1091 13.3681 13.3681 13.4519 13.4519 18.2429 18.2429 19.2659 19.2659 22.0707 22.0707 k = 0.3333 0.5774 0.3760 ( 3138 PWs) bands (ev): -4.5731 -4.5731 -4.5493 -4.5493 -4.3504 -4.3504 -4.3393 -4.3393 -2.1345 -2.1345 -2.0852 -2.0852 -1.9641 -1.9641 -1.9206 -1.9206 -1.7617 -1.7617 -1.7528 -1.7528 4.2935 4.2935 4.4528 4.4528 8.8042 8.8042 9.0608 9.0608 10.3979 10.3979 10.5174 10.5174 11.1124 11.1124 11.3064 11.3064 11.5067 11.5067 11.5928 11.5928 11.7983 11.7983 12.3521 12.3521 12.5055 12.5055 13.0697 13.0697 13.3682 13.3682 13.4335 13.4335 18.4971 18.4971 19.0108 19.0108 22.1775 22.1775 k = 0.3333 0.5774 0.3895 ( 3138 PWs) bands (ev): -4.5684 -4.5684 -4.5531 -4.5531 -4.3499 -4.3499 -4.3397 -4.3397 -2.1223 -2.1223 -2.0984 -2.0984 -1.9539 -1.9539 -1.9310 -1.9310 -1.7593 -1.7593 -1.7553 -1.7553 4.3478 4.3478 4.3951 4.3951 8.8041 8.8041 9.0604 9.0604 10.3997 10.3997 10.5175 10.5175 11.1154 11.1154 11.3162 11.3162 11.5009 11.5009 11.5931 11.5931 11.8007 11.8007 12.3590 12.3590 12.5029 12.5029 13.0559 13.0559 13.3682 13.3682 13.4274 13.4274 18.7352 18.7352 18.7722 18.7722 22.2396 22.2396 Writing output data file PtPb.save init_run : 0.28s CPU 0.42s WALL ( 1 calls) electrons : 190.30s CPU 193.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 190.29s CPU 193.32s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 332 calls) cegterg : 178.45s CPU 180.94s WALL ( 616 calls) Called by sum_band: Called by *egterg: h_psi : 91.98s CPU 93.46s WALL ( 10294 calls) s_psi : 6.75s CPU 6.84s WALL ( 10294 calls) g_psi : 0.26s CPU 0.27s WALL ( 9346 calls) cdiaghg : 70.24s CPU 71.28s WALL ( 9678 calls) cegterg:over : 6.83s CPU 7.01s WALL ( 9346 calls) cegterg:upda : 5.09s CPU 5.20s WALL ( 9346 calls) cegterg:last : 3.65s CPU 3.64s WALL ( 1612 calls) cdiaghg:chol : 3.67s CPU 3.85s WALL ( 9678 calls) cdiaghg:inve : 2.85s CPU 2.69s WALL ( 9678 calls) cdiaghg:para : 4.41s CPU 4.23s WALL ( 19356 calls) Called by h_psi: h_psi:vloc : 77.50s CPU 78.78s WALL ( 10294 calls) h_psi:vnl : 14.21s CPU 14.41s WALL ( 10294 calls) add_vuspsi : 7.62s CPU 7.81s WALL ( 10294 calls) General routines calbec : 6.54s CPU 6.57s WALL ( 10294 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 72.13s CPU 73.14s WALL ( 1097224 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.21s WALL ( 664 calls) Parallel routines fft_scatter : 27.52s CPU 28.08s WALL ( 1097247 calls) PWSCF : 3m26.17s CPU 3m47.24s WALL This run was terminated on: 21: 8:59 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=