Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 5: 7 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 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.8 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.5 secs Computing kpt #: 12 total cpu time spent up to now is 9.0 secs Computing kpt #: 13 total cpu time spent up to now is 9.6 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.8 secs Computing kpt #: 16 total cpu time spent up to now is 11.4 secs Computing kpt #: 17 total cpu time spent up to now is 12.0 secs Computing kpt #: 18 total cpu time spent up to now is 12.6 secs Computing kpt #: 19 total cpu time spent up to now is 13.1 secs Computing kpt #: 20 total cpu time spent up to now is 13.7 secs Computing kpt #: 21 total cpu time spent up to now is 14.3 secs Computing kpt #: 22 total cpu time spent up to now is 14.9 secs Computing kpt #: 23 total cpu time spent up to now is 15.5 secs Computing kpt #: 24 total cpu time spent up to now is 16.1 secs Computing kpt #: 25 total cpu time spent up to now is 16.7 secs Computing kpt #: 26 total cpu time spent up to now is 17.2 secs Computing kpt #: 27 total cpu time spent up to now is 17.8 secs Computing kpt #: 28 total cpu time spent up to now is 18.4 secs Computing kpt #: 29 total cpu time spent up to now is 18.9 secs Computing kpt #: 30 total cpu time spent up to now is 19.5 secs Computing kpt #: 31 total cpu time spent up to now is 20.1 secs Computing kpt #: 32 total cpu time spent up to now is 20.6 secs Computing kpt #: 33 total cpu time spent up to now is 21.2 secs Computing kpt #: 34 total cpu time spent up to now is 21.8 secs Computing kpt #: 35 total cpu time spent up to now is 22.4 secs Computing kpt #: 36 total cpu time spent up to now is 23.0 secs Computing kpt #: 37 total cpu time spent up to now is 23.6 secs Computing kpt #: 38 total cpu time spent up to now is 24.2 secs Computing kpt #: 39 total cpu time spent up to now is 24.8 secs Computing kpt #: 40 total cpu time spent up to now is 25.4 secs Computing kpt #: 41 total cpu time spent up to now is 26.1 secs Computing kpt #: 42 total cpu time spent up to now is 26.8 secs Computing kpt #: 43 total cpu time spent up to now is 27.5 secs Computing kpt #: 44 total cpu time spent up to now is 28.2 secs Computing kpt #: 45 total cpu time spent up to now is 28.9 secs Computing kpt #: 46 total cpu time spent up to now is 29.6 secs Computing kpt #: 47 total cpu time spent up to now is 30.3 secs Computing kpt #: 48 total cpu time spent up to now is 31.0 secs Computing kpt #: 49 total cpu time spent up to now is 31.6 secs Computing kpt #: 50 total cpu time spent up to now is 32.2 secs Computing kpt #: 51 total cpu time spent up to now is 32.8 secs Computing kpt #: 52 total cpu time spent up to now is 33.3 secs Computing kpt #: 53 total cpu time spent up to now is 33.8 secs Computing kpt #: 54 total cpu time spent up to now is 34.3 secs Computing kpt #: 55 total cpu time spent up to now is 34.8 secs Computing kpt #: 56 total cpu time spent up to now is 35.3 secs Computing kpt #: 57 total cpu time spent up to now is 35.8 secs Computing kpt #: 58 total cpu time spent up to now is 36.2 secs Computing kpt #: 59 total cpu time spent up to now is 36.6 secs Computing kpt #: 60 total cpu time spent up to now is 37.1 secs Computing kpt #: 61 total cpu time spent up to now is 37.5 secs Computing kpt #: 62 total cpu time spent up to now is 37.9 secs Computing kpt #: 63 total cpu time spent up to now is 38.3 secs Computing kpt #: 64 total cpu time spent up to now is 38.7 secs Computing kpt #: 65 total cpu time spent up to now is 39.1 secs Computing kpt #: 66 total cpu time spent up to now is 39.5 secs Computing kpt #: 67 total cpu time spent up to now is 39.9 secs Computing kpt #: 68 total cpu time spent up to now is 40.3 secs Computing kpt #: 69 total cpu time spent up to now is 40.7 secs Computing kpt #: 70 total cpu time spent up to now is 41.1 secs Computing kpt #: 71 total cpu time spent up to now is 41.5 secs Computing kpt #: 72 total cpu time spent up to now is 41.9 secs Computing kpt #: 73 total cpu time spent up to now is 42.3 secs Computing kpt #: 74 total cpu time spent up to now is 42.7 secs Computing kpt #: 75 total cpu time spent up to now is 43.1 secs Computing kpt #: 76 total cpu time spent up to now is 43.6 secs Computing kpt #: 77 total cpu time spent up to now is 44.0 secs Computing kpt #: 78 total cpu time spent up to now is 44.4 secs Computing kpt #: 79 total cpu time spent up to now is 44.8 secs Computing kpt #: 80 total cpu time spent up to now is 45.2 secs Computing kpt #: 81 total cpu time spent up to now is 45.6 secs Computing kpt #: 82 total cpu time spent up to now is 46.0 secs Computing kpt #: 83 total cpu time spent up to now is 46.4 secs Computing kpt #: 84 total cpu time spent up to now is 46.8 secs Computing kpt #: 85 total cpu time spent up to now is 47.3 secs Computing kpt #: 86 total cpu time spent up to now is 47.7 secs Computing kpt #: 87 total cpu time spent up to now is 48.1 secs Computing kpt #: 88 total cpu time spent up to now is 48.5 secs Computing kpt #: 89 total cpu time spent up to now is 49.0 secs Computing kpt #: 90 total cpu time spent up to now is 49.4 secs Computing kpt #: 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is 58.2 secs Computing kpt #: 107 total cpu time spent up to now is 59.1 secs Computing kpt #: 108 total cpu time spent up to now is 59.8 secs Computing kpt #: 109 total cpu time spent up to now is 60.5 secs Computing kpt #: 110 total cpu time spent up to now is 61.2 secs Computing kpt #: 111 total cpu time spent up to now is 61.8 secs Computing kpt #: 112 total cpu time spent up to now is 62.4 secs Computing kpt #: 113 total cpu time spent up to now is 63.0 secs Computing kpt #: 114 total cpu time spent up to now is 63.5 secs Computing kpt #: 115 total cpu time spent up to now is 64.1 secs Computing kpt #: 116 total cpu time spent up to now is 64.7 secs Computing kpt #: 117 total cpu time spent up to now is 65.3 secs Computing kpt #: 118 total cpu time spent up to now is 65.8 secs Computing kpt #: 119 total cpu time spent up to now is 66.4 secs Computing kpt #: 120 total cpu time spent up to now is 67.1 secs Computing kpt #: 121 total cpu time spent up to now is 67.6 secs Computing kpt #: 122 total cpu time spent up to now is 68.2 secs Computing kpt #: 123 total cpu time spent up to now is 68.9 secs Computing kpt #: 124 total cpu time spent up to now is 69.4 secs Computing kpt #: 125 total cpu time spent up to now is 70.1 secs Computing kpt #: 126 total cpu time spent up to now is 70.8 secs Computing kpt #: 127 total cpu time spent up to now is 71.4 secs Computing kpt #: 128 total cpu time spent up to now is 72.5 secs Computing kpt #: 129 total cpu time spent up to now is 72.9 secs Computing kpt #: 130 total cpu time spent up to now is 73.5 secs Computing kpt #: 131 total cpu time spent up to now is 74.1 secs Computing kpt #: 132 total cpu time spent up to now is 74.6 secs Computing kpt #: 133 total cpu time spent up to now is 75.2 secs Computing kpt #: 134 total cpu time spent up to now is 75.7 secs Computing kpt #: 135 total cpu time spent up to now is 76.2 secs Computing kpt #: 136 total cpu time spent up to now is 76.8 secs Computing kpt #: 137 total cpu time spent up to now is 77.4 secs Computing kpt #: 138 total cpu time spent up to now is 77.9 secs Computing kpt #: 139 total cpu time spent up to now is 78.6 secs Computing kpt #: 140 total cpu time spent up to now is 79.2 secs Computing kpt #: 141 total cpu time spent up to now is 79.8 secs Computing kpt #: 142 total cpu time spent up to now is 80.5 secs Computing kpt #: 143 total cpu time spent up to now is 81.2 secs Computing kpt #: 144 total cpu time spent up to now is 81.9 secs Computing kpt #: 145 total cpu time spent up to now is 82.7 secs Computing kpt #: 146 total cpu time spent up to now is 83.6 secs Computing kpt #: 147 total cpu time spent up to now is 84.8 secs Computing kpt #: 148 total cpu time spent up to now is 85.6 secs Computing kpt #: 149 total cpu time spent up to now is 86.5 secs Computing kpt #: 150 total cpu time spent up to now is 87.8 secs Computing kpt #: 151 total cpu time spent up to now is 88.4 secs Computing kpt #: 152 total cpu time spent up to now is 89.0 secs Computing kpt #: 153 total cpu time spent up to now is 89.7 secs Computing kpt #: 154 total cpu time spent up to now is 90.3 secs Computing kpt #: 155 total cpu time spent up to now is 91.0 secs Computing kpt #: 156 total cpu time spent up to now is 91.6 secs Computing kpt #: 157 total cpu time spent up to now is 92.2 secs Computing kpt #: 158 total cpu time spent up to now is 92.7 secs Computing kpt #: 159 total cpu time spent up to now is 93.3 secs Computing kpt #: 160 total cpu time spent up to now is 93.9 secs Computing kpt #: 161 total cpu time spent up to now is 94.4 secs Computing kpt #: 162 total cpu time spent up to now is 95.0 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 96.7 secs Computing kpt #: 166 total cpu time spent up to now is 97.2 secs Computing kpt #: 167 total cpu time spent up to now is 97.7 secs Computing kpt #: 168 total cpu time spent up to now is 98.2 secs Computing kpt #: 169 total cpu time spent up to now is 98.7 secs Computing kpt #: 170 total cpu time spent up to now is 99.2 secs Computing kpt #: 171 total cpu time spent up to now is 99.7 secs Computing kpt #: 172 total cpu time spent up to now is 100.1 secs Computing kpt #: 173 total cpu time spent up to now is 100.6 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 101.5 secs Computing kpt #: 176 total cpu time spent up to now is 102.0 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 102.9 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 104.2 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 105.1 secs Computing kpt #: 184 total cpu time spent up to now is 105.6 secs Computing kpt #: 185 total cpu time spent up to now is 106.0 secs Computing kpt #: 186 total cpu time spent up to now is 106.5 secs Computing kpt #: 187 total cpu time spent up to now is 106.9 secs Computing kpt #: 188 total cpu time spent up to now is 107.4 secs Computing kpt #: 189 total cpu time spent up to now is 107.8 secs Computing kpt #: 190 total cpu time spent up to now is 108.3 secs Computing kpt #: 191 total cpu time spent up to now is 108.7 secs Computing kpt #: 192 total cpu time spent up to now is 109.2 secs Computing kpt #: 193 total cpu time spent up to now is 109.6 secs Computing kpt #: 194 total cpu time spent up to now is 110.1 secs Computing kpt #: 195 total cpu time spent up to now is 110.5 secs Computing kpt #: 196 total cpu time spent up to now is 110.9 secs Computing kpt #: 197 total cpu time spent up to now is 111.7 secs Computing kpt #: 198 total cpu time spent up to now is 112.5 secs Computing kpt #: 199 total cpu time spent up to now is 113.4 secs Computing kpt #: 200 total cpu time spent up to now is 114.1 secs Computing kpt #: 201 total cpu time spent up to now is 114.8 secs Computing kpt #: 202 total cpu time spent up to now is 115.4 secs Computing kpt #: 203 total cpu time spent up to now is 116.0 secs Computing kpt #: 204 total cpu time spent up to now is 116.6 secs Computing kpt #: 205 total cpu time spent up to now is 117.2 secs Computing kpt #: 206 total cpu time spent up to now is 117.8 secs Computing kpt #: 207 total cpu time spent up to now is 118.4 secs Computing kpt #: 208 total cpu time spent up to now is 119.0 secs Computing kpt #: 209 total cpu time spent up to now is 119.6 secs Computing kpt #: 210 total cpu time spent up to now is 120.2 secs Computing kpt #: 211 total cpu time spent up to now is 120.8 secs Computing kpt #: 212 total cpu time spent up to now is 121.4 secs Computing kpt #: 213 total cpu time spent up to now is 122.1 secs Computing kpt #: 214 total cpu time spent up to now is 122.9 secs Computing kpt #: 215 total cpu time spent up to now is 123.7 secs Computing kpt #: 216 total cpu time spent up to now is 124.6 secs Computing kpt #: 217 total cpu time spent up to now is 125.6 secs Computing kpt #: 218 total cpu time spent up to now is 126.6 secs Computing kpt #: 219 total cpu time spent up to now is 127.6 secs Computing kpt #: 220 total cpu time spent up to now is 128.5 secs Computing kpt #: 221 total cpu time spent up to now is 129.5 secs Computing kpt #: 222 total cpu time spent up to now is 130.5 secs Computing kpt #: 223 total cpu time spent up to now is 131.4 secs Computing kpt #: 224 total cpu time spent up to now is 132.4 secs Computing kpt #: 225 total cpu time spent up to now is 133.3 secs Computing kpt #: 226 total cpu time spent up to now is 134.2 secs Computing kpt #: 227 total cpu time spent up to now is 135.1 secs Computing kpt #: 228 total cpu time spent up to now is 136.0 secs Computing kpt #: 229 total cpu time spent up to now is 136.9 secs Computing kpt #: 230 total cpu time spent up to now is 137.9 secs Computing kpt #: 231 total cpu time spent up to now is 138.9 secs Computing kpt #: 232 total cpu time spent up to now is 139.8 secs Computing kpt #: 233 total cpu time spent up to now is 140.4 secs Computing kpt #: 234 total cpu time spent up to now is 141.0 secs Computing kpt #: 235 total cpu time spent up to now is 141.5 secs Computing kpt #: 236 total cpu time spent up to now is 142.1 secs Computing kpt #: 237 total cpu time spent up to now is 142.7 secs Computing kpt #: 238 total cpu time spent up to now is 143.3 secs Computing kpt #: 239 total cpu time spent up to now is 143.9 secs Computing kpt #: 240 total cpu time spent up to now is 144.5 secs Computing kpt #: 241 total cpu time spent up to now is 145.0 secs Computing kpt #: 242 total cpu time spent up to now is 145.6 secs Computing kpt #: 243 total cpu time spent up to now is 146.7 secs Computing kpt #: 244 total cpu time spent up to now is 147.3 secs Computing kpt #: 245 total cpu time spent up to now is 147.8 secs Computing kpt #: 246 total cpu time spent up to now is 148.4 secs Computing kpt #: 247 total cpu time spent up to now is 149.0 secs Computing kpt #: 248 total cpu time spent up to now is 149.6 secs Computing kpt #: 249 total cpu time spent up to now is 150.2 secs Computing kpt #: 250 total cpu time spent up to now is 150.8 secs Computing kpt #: 251 total cpu time spent up to now is 151.4 secs Computing kpt #: 252 total cpu time spent up to now is 151.9 secs Computing kpt #: 253 total cpu time spent up to now is 152.5 secs Computing kpt #: 254 total cpu time spent up to now is 153.1 secs Computing kpt #: 255 total cpu time spent up to now is 153.7 secs Computing kpt #: 256 total cpu time spent up to now is 154.3 secs Computing kpt #: 257 total cpu time spent up to now is 154.9 secs Computing kpt #: 258 total cpu time spent up to now is 155.6 secs Computing kpt #: 259 total cpu time spent up to now is 156.3 secs Computing kpt #: 260 total cpu time spent up to now is 156.9 secs Computing kpt #: 261 total cpu time spent up to now is 157.5 secs Computing kpt #: 262 total cpu time spent up to now is 158.1 secs Computing kpt #: 263 total cpu time spent up to now is 158.7 secs Computing kpt #: 264 total cpu time spent up to now is 159.4 secs Computing kpt #: 265 total cpu time spent up to now is 160.3 secs Computing kpt #: 266 total cpu time spent up to now is 161.1 secs Computing kpt #: 267 total cpu time spent up to now is 161.9 secs Computing kpt #: 268 total cpu time spent up to now is 163.1 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 164.6 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 166.1 secs Computing kpt #: 271 total cpu time spent up to now is 166.8 secs Computing kpt #: 272 total cpu time spent up to now is 167.4 secs Computing kpt #: 273 total cpu time spent up to now is 167.9 secs Computing kpt #: 274 total cpu time spent up to now is 168.4 secs Computing kpt #: 275 total cpu time spent up to now is 169.0 secs Computing kpt #: 276 total cpu time spent up to now is 169.5 secs Computing kpt #: 277 total cpu time spent up to now is 170.0 secs Computing kpt #: 278 total cpu time spent up to now is 170.6 secs Computing kpt #: 279 total cpu time spent up to now is 171.1 secs Computing kpt #: 280 total cpu time spent up to now is 171.6 secs Computing kpt #: 281 total cpu time spent up to now is 172.1 secs Computing kpt #: 282 total cpu time spent up to now is 172.6 secs Computing kpt #: 283 total cpu time spent up to now is 173.1 secs Computing kpt #: 284 total cpu time spent up to now is 173.7 secs Computing kpt #: 285 total cpu time spent up to now is 174.2 secs Computing kpt #: 286 total cpu time spent up to now is 174.7 secs Computing kpt #: 287 total cpu time spent up to now is 175.2 secs Computing kpt #: 288 total cpu time spent up to now is 175.8 secs Computing kpt #: 289 total cpu time spent up to now is 176.3 secs Computing kpt #: 290 total cpu time spent up to now is 176.8 secs Computing kpt #: 291 total cpu time spent up to now is 177.4 secs Computing kpt #: 292 total cpu time spent up to now is 177.9 secs Computing kpt #: 293 total cpu time spent up to now is 178.4 secs Computing kpt #: 294 total cpu time spent up to now is 179.2 secs Computing kpt #: 295 total cpu time spent up to now is 179.8 secs Computing kpt #: 296 total cpu time spent up to now is 180.5 secs Computing kpt #: 297 total cpu time spent up to now is 181.1 secs Computing kpt #: 298 total cpu time spent up to now is 181.7 secs Computing kpt #: 299 total cpu time spent up to now is 182.3 secs Computing kpt #: 300 total cpu time spent up to now is 183.0 secs Computing kpt #: 301 total cpu time spent up to now is 183.7 secs Computing kpt #: 302 total cpu time spent up to now is 184.4 secs Computing kpt #: 303 total cpu time spent up to now is 184.8 secs Computing kpt #: 304 total cpu time spent up to now is 185.2 secs Computing kpt #: 305 total cpu time spent up to now is 185.6 secs Computing kpt #: 306 total cpu time spent up to now is 186.0 secs Computing kpt #: 307 total cpu time spent up to now is 186.4 secs Computing kpt #: 308 total cpu time spent up to now is 186.8 secs Computing kpt #: 309 total cpu time spent up to now is 187.2 secs Computing kpt #: 310 total cpu time spent up to now is 187.7 secs Computing kpt #: 311 total cpu time spent up to now is 188.1 secs Computing kpt #: 312 total cpu time spent up to now is 188.5 secs Computing kpt #: 313 total cpu time spent up to now is 188.9 secs Computing kpt #: 314 total cpu time spent up to now is 189.4 secs Computing kpt #: 315 total cpu time spent up to now is 189.8 secs Computing kpt #: 316 total cpu time spent up to now is 190.3 secs Computing kpt #: 317 total cpu time spent up to now is 190.7 secs Computing kpt #: 318 total cpu time spent up to now is 191.1 secs Computing kpt #: 319 total cpu time spent up to now is 191.6 secs Computing kpt #: 320 total cpu time spent up to now is 192.0 secs Computing kpt #: 321 total cpu time spent up to now is 192.5 secs Computing kpt #: 322 total cpu time spent up to now is 193.0 secs Computing kpt #: 323 total cpu time spent up to now is 193.5 secs Computing kpt #: 324 total cpu time spent up to now is 194.1 secs Computing kpt #: 325 total cpu time spent up to now is 194.6 secs Computing kpt #: 326 total cpu time spent up to now is 195.1 secs Computing kpt #: 327 total cpu time spent up to now is 195.7 secs Computing kpt #: 328 total cpu time spent up to now is 196.2 secs Computing kpt #: 329 total cpu time spent up to now is 196.7 secs Computing kpt #: 330 total cpu time spent up to now is 197.3 secs Computing kpt #: 331 total cpu time spent up to now is 198.0 secs Computing kpt #: 332 total cpu time spent up to now is 199.0 secs ethr = 2.08E-08, avg # of iterations = 28.9 total cpu time spent up to now is 199.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3137 PWs) bands (ev): -4.0371 -4.0371 -4.0158 -4.0158 -3.9555 -3.9555 -3.9492 -3.9492 -1.5782 -1.5782 -1.4892 -1.4892 -1.4821 -1.4821 -1.4492 -1.4492 -1.4340 -1.4340 -1.3555 -1.3555 2.4705 2.4705 6.7612 6.7612 8.4691 8.4691 8.6945 8.6945 9.0747 9.0747 9.1706 9.1706 10.1504 10.1504 10.5235 10.5235 11.1650 11.1650 11.9577 11.9577 12.3281 12.3281 12.9112 12.9112 14.9861 14.9861 15.7215 15.7215 17.0385 17.0385 17.8299 17.8299 18.3713 18.3713 19.0417 19.0417 19.4231 19.4231 k = 0.0116 0.0067-0.0000 ( 3133 PWs) bands (ev): -4.0370 -4.0370 -4.0157 -4.0157 -3.9555 -3.9555 -3.9492 -3.9492 -1.5781 -1.5781 -1.4892 -1.4892 -1.4821 -1.4821 -1.4491 -1.4491 -1.4340 -1.4340 -1.3557 -1.3557 2.4722 2.4722 6.7583 6.7583 8.4713 8.4713 8.6943 8.6943 9.0768 9.0768 9.1729 9.1729 10.1499 10.1499 10.5231 10.5231 11.1643 11.1643 11.9570 11.9570 12.3280 12.3280 12.9109 12.9109 14.9788 14.9788 15.7203 15.7203 17.0101 17.0101 17.8217 17.8217 18.3948 18.3948 19.0548 19.0548 19.4053 19.4053 k = 0.0233 0.0134-0.0000 ( 3121 PWs) bands (ev): -4.0369 -4.0369 -4.0155 -4.0155 -3.9556 -3.9556 -3.9494 -3.9494 -1.5778 -1.5778 -1.4890 -1.4890 -1.4822 -1.4822 -1.4489 -1.4489 -1.4339 -1.4339 -1.3561 -1.3561 2.4772 2.4772 6.7496 6.7496 8.4778 8.4778 8.6936 8.6936 9.0828 9.0828 9.1800 9.1800 10.1483 10.1483 10.5219 10.5219 11.1623 11.1623 11.9550 11.9550 12.3275 12.3275 12.9101 12.9101 14.9571 14.9571 15.7168 15.7168 16.9320 16.9320 17.7987 17.7987 18.4561 18.4561 19.0943 19.0943 19.3659 19.3659 k = 0.0349 0.0201-0.0000 ( 3125 PWs) bands (ev): -4.0366 -4.0366 -4.0152 -4.0152 -3.9557 -3.9557 -3.9496 -3.9496 -1.5773 -1.5773 -1.4887 -1.4887 -1.4822 -1.4822 -1.4486 -1.4486 -1.4337 -1.4337 -1.3567 -1.3567 2.4856 2.4856 6.7355 6.7355 8.4886 8.4886 8.6924 8.6924 9.0913 9.0913 9.1931 9.1931 10.1456 10.1456 10.5199 10.5199 11.1589 11.1589 11.9517 11.9517 12.3267 12.3267 12.9088 12.9088 14.9207 14.9207 15.7107 15.7107 16.8190 16.8190 17.7634 17.7634 18.5358 18.5358 19.1597 19.1597 19.3228 19.3228 k = 0.0465 0.0269-0.0000 ( 3127 PWs) bands (ev): -4.0362 -4.0362 -4.0147 -4.0147 -3.9560 -3.9560 -3.9499 -3.9499 -1.5765 -1.5765 -1.4883 -1.4883 -1.4824 -1.4824 -1.4481 -1.4481 -1.4334 -1.4334 -1.3576 -1.3576 2.4973 2.4973 6.7161 6.7161 8.5037 8.5037 8.6908 8.6908 9.1011 9.1011 9.2131 9.2131 10.1418 10.1418 10.5171 10.5171 11.1541 11.1541 11.9472 11.9472 12.3255 12.3255 12.9070 12.9070 14.8697 14.8697 15.7021 15.7021 16.6858 16.6858 17.7182 17.7182 18.6157 18.6157 19.2487 19.2487 19.2854 19.2854 k = 0.0581 0.0336-0.0000 ( 3119 PWs) bands (ev): -4.0357 -4.0357 -4.0142 -4.0142 -3.9563 -3.9563 -3.9502 -3.9502 -1.5756 -1.5756 -1.4878 -1.4878 -1.4825 -1.4825 -1.4474 -1.4474 -1.4331 -1.4331 -1.3587 -1.3587 2.5124 2.5124 6.6918 6.6918 8.5230 8.5230 8.6886 8.6886 9.1107 9.1107 9.2409 9.2409 10.1370 10.1370 10.5137 10.5137 11.1479 11.1479 11.9416 11.9416 12.3241 12.3241 12.9047 12.9047 14.8039 14.8039 15.6907 15.6907 16.5432 16.5432 17.6647 17.6647 18.6842 18.6842 19.2570 19.2570 19.3572 19.3572 k = 0.0698 0.0403-0.0000 ( 3119 PWs) bands (ev): -4.0351 -4.0351 -4.0134 -4.0134 -3.9566 -3.9566 -3.9507 -3.9507 -1.5745 -1.5745 -1.4873 -1.4873 -1.4826 -1.4826 -1.4467 -1.4467 -1.4327 -1.4327 -1.3600 -1.3600 2.5308 2.5308 6.6633 6.6633 8.5464 8.5464 8.6859 8.6859 9.1198 9.1198 9.2764 9.2764 10.1312 10.1312 10.5098 10.5098 11.1402 11.1402 11.9349 11.9349 12.3223 12.3223 12.9019 12.9019 14.7236 14.7236 15.6760 15.6760 16.3984 16.3984 17.6041 17.6041 18.7356 18.7356 19.2433 19.2433 19.4741 19.4741 k = 0.0814 0.0470-0.0000 ( 3119 PWs) bands (ev): -4.0344 -4.0344 -4.0126 -4.0126 -3.9571 -3.9571 -3.9512 -3.9512 -1.5732 -1.5732 -1.4868 -1.4868 -1.4826 -1.4826 -1.4459 -1.4459 -1.4322 -1.4322 -1.3615 -1.3615 2.5525 2.5525 6.6308 6.6308 8.5740 8.5740 8.6827 8.6827 9.1283 9.1283 9.3190 9.3190 10.1245 10.1245 10.5054 10.5054 11.1310 11.1310 11.9274 11.9274 12.3201 12.3201 12.8986 12.8986 14.6293 14.6293 15.6576 15.6576 16.2564 16.2564 17.5376 17.5376 18.7688 18.7688 19.2447 19.2447 19.5912 19.5912 k = 0.0930 0.0537-0.0000 ( 3127 PWs) bands (ev): -4.0336 -4.0336 -4.0116 -4.0116 -3.9575 -3.9575 -3.9518 -3.9518 -1.5717 -1.5717 -1.4864 -1.4864 -1.4824 -1.4824 -1.4450 -1.4450 -1.4316 -1.4316 -1.3632 -1.3632 2.5774 2.5774 6.5950 6.5950 8.6055 8.6055 8.6789 8.6789 9.1364 9.1364 9.3677 9.3677 10.1168 10.1168 10.5007 10.5007 11.1203 11.1203 11.9193 11.9193 12.3175 12.3175 12.8949 12.8949 14.5220 14.5220 15.6342 15.6342 16.1205 16.1205 17.4660 17.4660 18.7853 18.7853 19.2604 19.2604 19.7013 19.7013 k = 0.1047 0.0604-0.0000 ( 3119 PWs) bands (ev): -4.0328 -4.0328 -4.0106 -4.0106 -3.9581 -3.9581 -3.9524 -3.9524 -1.5700 -1.5700 -1.4862 -1.4862 -1.4819 -1.4819 -1.4440 -1.4440 -1.4309 -1.4309 -1.3651 -1.3651 2.6057 2.6057 6.5563 6.5563 8.6407 8.6407 8.6747 8.6747 9.1443 9.1443 9.4216 9.4216 10.1083 10.1083 10.4960 10.4960 11.1080 11.1080 11.9106 11.9106 12.3145 12.3145 12.8908 12.8908 14.4031 14.4031 15.6041 15.6041 15.9938 15.9938 17.3900 17.3900 18.7889 18.7889 19.2864 19.2864 19.7998 19.7998 k = 0.1163 0.0671-0.0000 ( 3115 PWs) bands (ev): -4.0318 -4.0318 -4.0094 -4.0094 -3.9587 -3.9587 -3.9531 -3.9531 -1.5682 -1.5682 -1.4862 -1.4862 -1.4811 -1.4811 -1.4430 -1.4430 -1.4301 -1.4301 -1.3671 -1.3671 2.6372 2.6372 6.5153 6.5153 8.6676 8.6676 8.6818 8.6818 9.1521 9.1521 9.4799 9.4799 10.0990 10.0990 10.4914 10.4914 11.0942 11.0942 11.9016 11.9016 12.3109 12.3109 12.8862 12.8862 14.2745 14.2745 15.5639 15.5639 15.8797 15.8797 17.3102 17.3102 18.7835 18.7835 19.3181 19.3181 19.8837 19.8837 k = 0.1279 0.0738-0.0000 ( 3119 PWs) bands (ev): -4.0308 -4.0308 -4.0081 -4.0081 -3.9594 -3.9594 -3.9539 -3.9539 -1.5662 -1.5662 -1.4865 -1.4865 -1.4801 -1.4801 -1.4419 -1.4419 -1.4292 -1.4292 -1.3692 -1.3692 2.6720 2.6720 6.4722 6.4722 8.6626 8.6626 8.7239 8.7239 9.1597 9.1597 9.5416 9.5416 10.0891 10.0891 10.4871 10.4871 11.0789 11.0789 11.8924 11.8924 12.3068 12.3068 12.8811 12.8811 14.1383 14.1383 15.5088 15.5088 15.7826 15.7826 17.2268 17.2268 18.7718 18.7718 19.3514 19.3514 19.9494 19.9494 k = 0.1395 0.0806-0.0000 ( 3131 PWs) bands (ev): -4.0298 -4.0298 -4.0067 -4.0067 -3.9601 -3.9601 -3.9547 -3.9547 -1.5642 -1.5642 -1.4869 -1.4869 -1.4789 -1.4789 -1.4408 -1.4408 -1.4284 -1.4284 -1.3713 -1.3713 2.7100 2.7100 6.4277 6.4277 8.6558 8.6558 8.7704 8.7704 9.1672 9.1672 9.6055 9.6055 10.0791 10.0791 10.4836 10.4836 11.0620 11.0620 11.8833 11.8833 12.3019 12.3019 12.8754 12.8754 13.9969 13.9969 15.4353 15.4353 15.7052 15.7052 17.1402 17.1402 18.7552 18.7552 19.3833 19.3833 19.9907 19.9907 k = 0.1512 0.0873-0.0000 ( 3131 PWs) bands (ev): -4.0286 -4.0286 -4.0052 -4.0052 -3.9609 -3.9609 -3.9555 -3.9555 -1.5620 -1.5620 -1.4875 -1.4875 -1.4775 -1.4775 -1.4397 -1.4397 -1.4274 -1.4274 -1.3734 -1.3734 2.7511 2.7511 6.3819 6.3819 8.6480 8.6480 8.8205 8.8205 9.1746 9.1746 9.6703 9.6703 10.0696 10.0696 10.4813 10.4813 11.0436 11.0436 11.8745 11.8745 12.2961 12.2961 12.8691 12.8691 13.8528 13.8528 15.3455 15.3455 15.6444 15.6444 17.0507 17.0507 18.7338 18.7338 19.4122 19.4122 20.0003 20.0003 k = 0.1628 0.0940-0.0000 ( 3131 PWs) bands (ev): -4.0274 -4.0274 -4.0036 -4.0036 -3.9617 -3.9617 -3.9564 -3.9564 -1.5597 -1.5597 -1.4881 -1.4881 -1.4760 -1.4760 -1.4387 -1.4387 -1.4264 -1.4264 -1.3755 -1.3755 2.7954 2.7954 6.3353 6.3353 8.6390 8.6390 8.8739 8.8739 9.1816 9.1816 9.7337 9.7337 10.0620 10.0620 10.4805 10.4805 11.0239 11.0239 11.8659 11.8659 12.2892 12.2892 12.8618 12.8618 13.7086 13.7086 15.2454 15.2454 15.5934 15.5934 16.9585 16.9585 18.7070 18.7070 19.4377 19.4377 19.9763 19.9763 k = 0.1744 0.1007-0.0000 ( 3143 PWs) bands (ev): -4.0262 -4.0262 -4.0020 -4.0020 -3.9626 -3.9626 -3.9573 -3.9573 -1.5574 -1.5574 -1.4888 -1.4888 -1.4743 -1.4743 -1.4377 -1.4377 -1.4254 -1.4254 -1.3775 -1.3775 2.8427 2.8427 6.2882 6.2882 8.6288 8.6288 8.9304 8.9304 9.1882 9.1882 9.7918 9.7918 10.0594 10.0594 10.4818 10.4818 11.0031 11.0031 11.8579 11.8579 12.2809 12.2809 12.8531 12.8531 13.5670 13.5670 15.1398 15.1398 15.5464 15.5464 16.8638 16.8638 18.6734 18.6734 19.4603 19.4603 19.9266 19.9266 k = 0.1860 0.1074-0.0000 ( 3135 PWs) bands (ev): -4.0249 -4.0249 -4.0003 -4.0003 -3.9635 -3.9635 -3.9582 -3.9582 -1.5549 -1.5549 -1.4896 -1.4896 -1.4726 -1.4726 -1.4370 -1.4370 -1.4242 -1.4242 -1.3794 -1.3794 2.8932 2.8932 6.2407 6.2407 8.6172 8.6172 8.9897 8.9897 9.1943 9.1943 9.8378 9.8378 10.0678 10.0678 10.4860 10.4860 10.9814 10.9814 11.8505 11.8505 12.2707 12.2707 12.8424 12.8424 13.4308 13.4308 15.0316 15.0316 15.4999 15.4999 16.7667 16.7667 18.6319 18.6319 19.4809 19.4809 19.8630 19.8630 k = 0.1977 0.1141-0.0000 ( 3135 PWs) bands (ev): -4.0236 -4.0236 -3.9985 -3.9985 -3.9645 -3.9645 -3.9591 -3.9591 -1.5525 -1.5525 -1.4905 -1.4905 -1.4708 -1.4708 -1.4365 -1.4365 -1.4230 -1.4230 -1.3810 -1.3810 2.9466 2.9466 6.1931 6.1931 8.6041 8.6041 9.0515 9.0515 9.1999 9.1999 9.8636 9.8636 10.0939 10.0939 10.4939 10.4939 10.9591 10.9591 11.8437 11.8437 12.2580 12.2580 12.8284 12.8284 13.3034 13.3034 14.9220 14.9220 15.4518 15.4518 16.6675 16.6675 18.5815 18.5815 19.5008 19.5008 19.7948 19.7948 k = 0.2093 0.1208-0.0000 ( 3137 PWs) bands (ev): -4.0223 -4.0223 -3.9967 -3.9967 -3.9654 -3.9654 -3.9600 -3.9600 -1.5500 -1.5500 -1.4914 -1.4914 -1.4688 -1.4688 -1.4363 -1.4363 -1.4216 -1.4216 -1.3824 -1.3824 3.0029 3.0029 6.1456 6.1456 8.5891 8.5891 9.1152 9.1152 9.2052 9.2052 9.8681 9.8681 10.1376 10.1376 10.5064 10.5064 10.9368 10.9368 11.8376 11.8376 12.2421 12.2421 12.8091 12.8091 13.1893 13.1893 14.8119 14.8119 15.4010 15.4010 16.5663 16.5663 18.5217 18.5217 19.5211 19.5211 19.7281 19.7281 k = 0.2209 0.1276-0.0000 ( 3137 PWs) bands (ev): -4.0209 -4.0209 -3.9950 -3.9950 -3.9664 -3.9664 -3.9610 -3.9610 -1.5475 -1.5475 -1.4924 -1.4924 -1.4668 -1.4668 -1.4366 -1.4366 -1.4200 -1.4200 -1.3835 -1.3835 3.0621 3.0621 6.0984 6.0984 8.5721 8.5721 9.1777 9.1777 9.2125 9.2125 9.8576 9.8576 10.1909 10.1909 10.5249 10.5249 10.9152 10.9152 11.8323 11.8323 12.2220 12.2220 12.7813 12.7813 13.0937 13.0937 14.7015 14.7015 15.3466 15.3466 16.4632 16.4632 18.4528 18.4528 19.5425 19.5425 19.6667 19.6667 k = 0.2326 0.1343-0.0000 ( 3141 PWs) bands (ev): -4.0195 -4.0195 -3.9932 -3.9932 -3.9673 -3.9673 -3.9619 -3.9619 -1.5450 -1.5450 -1.4934 -1.4934 -1.4647 -1.4647 -1.4373 -1.4373 -1.4182 -1.4182 -1.3843 -1.3843 3.1241 3.1241 6.0515 6.0515 8.5527 8.5527 9.2061 9.2061 9.2542 9.2542 9.8383 9.8383 10.2459 10.2459 10.5505 10.5505 10.8951 10.8951 11.8278 11.8278 12.1967 12.1967 12.7424 12.7424 13.0216 13.0216 14.5913 14.5913 15.2879 15.2879 16.3585 16.3585 18.3762 18.3762 19.5640 19.5640 19.6139 19.6139 k = 0.2442 0.1410-0.0000 ( 3137 PWs) bands (ev): -4.0181 -4.0181 -3.9916 -3.9916 -3.9682 -3.9682 -3.9628 -3.9628 -1.5425 -1.5425 -1.4944 -1.4944 -1.4625 -1.4625 -1.4385 -1.4385 -1.4163 -1.4163 -1.3848 -1.3848 3.1888 3.1888 6.0051 6.0051 8.5307 8.5307 9.2100 9.2100 9.3197 9.3197 9.8140 9.8140 10.2975 10.2975 10.5839 10.5839 10.8784 10.8784 11.8240 11.8240 12.1654 12.1654 12.6943 12.6943 12.9730 12.9730 14.4814 14.4814 15.2246 15.2246 16.2524 16.2524 18.2935 18.2935 19.5562 19.5562 19.5999 19.5999 k = 0.2558 0.1477-0.0000 ( 3139 PWs) bands (ev): -4.0167 -4.0167 -3.9900 -3.9900 -3.9691 -3.9691 -3.9637 -3.9637 -1.5400 -1.5400 -1.4955 -1.4955 -1.4603 -1.4603 -1.4401 -1.4401 -1.4142 -1.4142 -1.3850 -1.3850 3.2561 3.2561 5.9593 5.9593 8.5057 8.5057 9.2112 9.2112 9.3858 9.3858 9.7871 9.7871 10.3431 10.3431 10.6234 10.6234 10.8676 10.8676 11.8209 11.8209 12.1278 12.1278 12.6440 12.6440 12.9423 12.9423 14.3721 14.3721 15.1562 15.1562 16.1450 16.1450 18.2068 18.2068 19.5180 19.5180 19.6257 19.6257 k = 0.2674 0.1544-0.0000 ( 3139 PWs) bands (ev): -4.0153 -4.0153 -3.9886 -3.9886 -3.9698 -3.9698 -3.9645 -3.9645 -1.5375 -1.5375 -1.4966 -1.4966 -1.4580 -1.4580 -1.4420 -1.4420 -1.4120 -1.4120 -1.3850 -1.3850 3.3259 3.3259 5.9141 5.9141 8.4774 8.4774 9.2112 9.2112 9.4485 9.4485 9.7607 9.7607 10.3828 10.3828 10.6637 10.6637 10.8680 10.8680 11.8185 11.8185 12.0850 12.0850 12.5983 12.5983 12.9224 12.9224 14.2636 14.2636 15.0825 15.0825 16.0365 16.0365 18.1182 18.1182 19.4840 19.4840 19.6559 19.6559 k = 0.2791 0.1611-0.0000 ( 3141 PWs) bands (ev): -4.0139 -4.0139 -3.9874 -3.9874 -3.9705 -3.9705 -3.9653 -3.9653 -1.5351 -1.5351 -1.4978 -1.4978 -1.4557 -1.4557 -1.4442 -1.4442 -1.4097 -1.4097 -1.3847 -1.3847 3.3981 3.3981 5.8696 5.8696 8.4454 8.4454 9.2100 9.2100 9.5025 9.5025 9.7399 9.7399 10.4177 10.4177 10.6961 10.6961 10.8864 10.8864 11.8167 11.8167 12.0394 12.0394 12.5603 12.5603 12.9090 12.9090 14.1562 14.1562 15.0033 15.0033 15.9271 15.9271 18.0296 18.0296 19.4557 19.4557 19.6882 19.6882 k = 0.2907 0.1678-0.0000 ( 3145 PWs) bands (ev): -4.0125 -4.0125 -3.9865 -3.9865 -3.9710 -3.9710 -3.9658 -3.9658 -1.5328 -1.5328 -1.4989 -1.4989 -1.4534 -1.4534 -1.4465 -1.4465 -1.4073 -1.4073 -1.3844 -1.3844 3.4725 3.4725 5.8257 5.8257 8.4094 8.4094 9.2079 9.2079 9.5374 9.5374 9.7349 9.7349 10.4494 10.4494 10.7162 10.7162 10.9259 10.9259 11.8153 11.8153 11.9943 11.9943 12.5302 12.5302 12.8992 12.8992 14.0500 14.0500 14.9186 14.9186 15.8171 15.8171 17.9428 17.9428 19.4327 19.4327 19.7217 19.7217 k = 0.3023 0.1745-0.0000 ( 3141 PWs) bands (ev): -4.0111 -4.0111 -3.9859 -3.9859 -3.9715 -3.9715 -3.9661 -3.9661 -1.5305 -1.5305 -1.5000 -1.5000 -1.4518 -1.4518 -1.4483 -1.4483 -1.4049 -1.4049 -1.3839 -1.3839 3.5489 3.5489 5.7825 5.7825 8.3692 8.3692 9.2049 9.2049 9.5433 9.5433 9.7551 9.7551 10.4789 10.4789 10.7288 10.7288 10.9807 10.9807 11.8145 11.8145 11.9529 11.9529 12.5068 12.5068 12.8919 12.8919 13.9455 13.9455 14.8285 14.8285 15.7067 15.7067 17.8591 17.8591 19.4147 19.4147 19.7559 19.7559 k = 0.3140 0.1813-0.0000 ( 3145 PWs) bands (ev): -4.0097 -4.0097 -3.9857 -3.9857 -3.9721 -3.9721 -3.9661 -3.9661 -1.5282 -1.5282 -1.5011 -1.5011 -1.4530 -1.4530 -1.4474 -1.4474 -1.4025 -1.4025 -1.3833 -1.3833 3.6273 3.6273 5.7398 5.7398 8.3246 8.3246 9.2011 9.2011 9.5263 9.5263 9.7939 9.7939 10.5069 10.5069 10.7414 10.7414 11.0423 11.0423 11.8143 11.8143 11.9183 11.9183 12.4889 12.4889 12.8862 12.8862 13.8428 13.8428 14.7332 14.7332 15.5961 15.5961 17.7796 17.7796 19.4013 19.4013 19.7901 19.7901 k = 0.3256 0.1880-0.0000 ( 3147 PWs) bands (ev): -4.0083 -4.0083 -3.9857 -3.9857 -3.9727 -3.9727 -3.9657 -3.9657 -1.5260 -1.5260 -1.5021 -1.5021 -1.4556 -1.4556 -1.4452 -1.4452 -1.4001 -1.4001 -1.3827 -1.3827 3.7074 3.7074 5.6977 5.6977 8.2756 8.2756 9.1967 9.1967 9.4987 9.4987 9.8384 9.8384 10.5331 10.5331 10.7595 10.7595 11.1051 11.1051 11.8152 11.8152 11.8927 11.8927 12.4749 12.4749 12.8816 12.8816 13.7424 13.7424 14.6331 14.6331 15.4857 15.4857 17.7049 17.7049 19.3922 19.3922 19.8237 19.8237 k = 0.3372 0.1947-0.0000 ( 3145 PWs) bands (ev): -4.0069 -4.0069 -3.9859 -3.9859 -3.9735 -3.9735 -3.9649 -3.9649 -1.5239 -1.5239 -1.5031 -1.5031 -1.4584 -1.4584 -1.4429 -1.4429 -1.3978 -1.3978 -1.3821 -1.3821 3.7889 3.7889 5.6559 5.6559 8.2225 8.2225 9.1918 9.1918 9.4676 9.4676 9.8809 9.8809 10.5575 10.5575 10.7861 10.7861 11.1655 11.1655 11.8188 11.8188 11.8766 11.8766 12.4640 12.4640 12.8780 12.8780 13.6446 13.6446 14.5285 14.5285 15.3757 15.3757 17.6356 17.6356 19.3870 19.3870 19.8560 19.8560 k = 0.3488 0.2014-0.0000 ( 3137 PWs) bands (ev): -4.0056 -4.0056 -3.9864 -3.9864 -3.9744 -3.9744 -3.9640 -3.9640 -1.5219 -1.5219 -1.5040 -1.5040 -1.4613 -1.4613 -1.4405 -1.4405 -1.3955 -1.3955 -1.3815 -1.3815 3.8717 3.8717 5.6145 5.6145 8.1656 8.1656 9.1865 9.1865 9.4363 9.4363 9.9180 9.9180 10.5799 10.5799 10.8224 10.8224 11.2212 11.2212 11.8271 11.8271 11.8697 11.8697 12.4553 12.4553 12.8751 12.8751 13.5498 13.5498 14.4201 14.4201 15.2665 15.2665 17.5719 17.5719 19.3856 19.3856 19.8862 19.8862 k = 0.3605 0.2081-0.0000 ( 3133 PWs) bands (ev): -4.0042 -4.0042 -3.9869 -3.9869 -3.9753 -3.9753 -3.9629 -3.9629 -1.5200 -1.5200 -1.5049 -1.5049 -1.4642 -1.4642 -1.4381 -1.4381 -1.3933 -1.3933 -1.3809 -1.3809 3.9554 3.9554 5.5732 5.5732 8.1057 8.1057 9.1809 9.1809 9.4063 9.4063 9.9482 9.9482 10.6005 10.6005 10.8681 10.8681 11.2709 11.2709 11.8402 11.8402 11.8723 11.8723 12.4482 12.4482 12.8728 12.8728 13.4585 13.4585 14.3088 14.3088 15.1587 15.1587 17.5140 17.5140 19.3876 19.3876 19.9135 19.9135 k = 0.3721 0.2148-0.0000 ( 3127 PWs) bands (ev): -4.0029 -4.0029 -3.9875 -3.9875 -3.9762 -3.9762 -3.9617 -3.9617 -1.5182 -1.5182 -1.5056 -1.5056 -1.4670 -1.4670 -1.4358 -1.4358 -1.3912 -1.3912 -1.3804 -1.3804 4.0398 4.0398 5.5318 5.5318 8.0437 8.0437 9.1751 9.1751 9.3784 9.3784 9.9715 9.9715 10.6194 10.6194 10.9219 10.9219 11.3150 11.3150 11.8522 11.8522 11.8898 11.8898 12.4424 12.4424 12.8711 12.8711 13.3714 13.3714 14.1952 14.1952 15.0527 15.0527 17.4618 17.4618 19.3930 19.3930 19.9367 19.9367 k = 0.3837 0.2215-0.0000 ( 3123 PWs) bands (ev): -4.0017 -4.0017 -3.9881 -3.9881 -3.9772 -3.9772 -3.9605 -3.9605 -1.5166 -1.5166 -1.5061 -1.5061 -1.4698 -1.4698 -1.4336 -1.4336 -1.3892 -1.3892 -1.3799 -1.3799 4.1244 4.1244 5.4902 5.4902 7.9807 7.9807 9.1694 9.1694 9.3531 9.3531 9.9884 9.9884 10.6366 10.6366 10.9815 10.9815 11.3547 11.3547 11.8607 11.8607 11.9225 11.9225 12.4375 12.4375 12.8700 12.8700 13.2889 13.2889 14.0806 14.0806 14.9491 14.9491 17.4151 17.4151 19.4014 19.4014 19.9541 19.9541 k = 0.3953 0.2283-0.0000 ( 3125 PWs) bands (ev): -4.0005 -4.0005 -3.9886 -3.9886 -3.9782 -3.9782 -3.9594 -3.9594 -1.5152 -1.5152 -1.5063 -1.5063 -1.4726 -1.4726 -1.4315 -1.4315 -1.3874 -1.3874 -1.3795 -1.3795 4.2088 4.2088 5.4480 5.4480 7.9178 7.9178 9.1638 9.1638 9.3306 9.3306 9.9999 9.9999 10.6519 10.6519 11.0443 11.0443 11.3922 11.3922 11.8694 11.8694 11.9641 11.9641 12.4330 12.4330 12.8693 12.8693 13.2117 13.2117 13.9662 13.9662 14.8486 14.8486 17.3739 17.3739 19.4127 19.4127 19.9636 19.9636 k = 0.4070 0.2350-0.0000 ( 3125 PWs) bands (ev): -3.9993 -3.9993 -3.9892 -3.9892 -3.9792 -3.9792 -3.9583 -3.9583 -1.5141 -1.5141 -1.5062 -1.5062 -1.4753 -1.4753 -1.4296 -1.4296 -1.3857 -1.3857 -1.3792 -1.3792 4.2927 4.2927 5.4050 5.4050 7.8564 7.8564 9.1584 9.1584 9.3110 9.3110 10.0072 10.0072 10.6651 10.6651 11.1075 11.1075 11.4292 11.4292 11.8802 11.8802 12.0100 12.0100 12.4288 12.4288 12.8690 12.8690 13.1406 13.1406 13.8535 13.8535 14.7522 14.7522 17.3378 17.3378 19.4266 19.4266 19.9632 19.9632 k = 0.4186 0.2417-0.0000 ( 3136 PWs) bands (ev): -3.9982 -3.9982 -3.9896 -3.9896 -3.9803 -3.9803 -3.9574 -3.9574 -1.5135 -1.5135 -1.5056 -1.5056 -1.4779 -1.4779 -1.4278 -1.4278 -1.3842 -1.3842 -1.3789 -1.3789 4.3754 4.3754 5.3611 5.3611 7.7979 7.7979 9.1534 9.1534 9.2941 9.2941 10.0114 10.0114 10.6763 10.6763 11.1683 11.1683 11.4669 11.4669 11.8939 11.8939 12.0569 12.0569 12.4245 12.4245 12.8688 12.8688 13.0762 13.0762 13.7447 13.7447 14.6608 14.6608 17.3066 17.3066 19.4428 19.4428 19.9519 19.9519 k = 0.4302 0.2484-0.0000 ( 3142 PWs) bands (ev): -3.9972 -3.9972 -3.9900 -3.9900 -3.9813 -3.9813 -3.9565 -3.9565 -1.5133 -1.5133 -1.5045 -1.5045 -1.4804 -1.4804 -1.4262 -1.4262 -1.3828 -1.3828 -1.3786 -1.3786 4.4562 4.4562 5.3160 5.3160 7.7436 7.7436 9.1488 9.1488 9.2799 9.2799 10.0133 10.0133 10.6854 10.6854 11.2241 11.2241 11.5050 11.5050 11.9110 11.9110 12.1028 12.1028 12.4199 12.4199 12.8682 12.8682 13.0188 13.0188 13.6421 13.6421 14.5757 14.5757 17.2802 17.2802 19.4610 19.4610 19.9312 19.9312 k = 0.4419 0.2551-0.0000 ( 3148 PWs) bands (ev): -3.9963 -3.9963 -3.9901 -3.9901 -3.9823 -3.9823 -3.9557 -3.9557 -1.5133 -1.5133 -1.5031 -1.5031 -1.4829 -1.4829 -1.4249 -1.4249 -1.3817 -1.3817 -1.3785 -1.3785 4.5344 4.5344 5.2699 5.2699 7.6951 7.6951 9.1448 9.1448 9.2681 9.2681 10.0139 10.0139 10.6926 10.6926 11.2731 11.2731 11.5417 11.5417 11.9314 11.9314 12.1466 12.1466 12.4151 12.4151 12.8653 12.8653 12.9695 12.9695 13.5490 13.5490 14.4985 14.4985 17.2581 17.2581 19.4806 19.4806 19.9045 19.9045 k = 0.4535 0.2618-0.0000 ( 3146 PWs) bands (ev): -3.9955 -3.9955 -3.9901 -3.9901 -3.9833 -3.9833 -3.9551 -3.9551 -1.5134 -1.5134 -1.5015 -1.5015 -1.4852 -1.4852 -1.4237 -1.4237 -1.3807 -1.3807 -1.3784 -1.3784 4.6088 4.6088 5.2231 5.2231 7.6534 7.6534 9.1414 9.1414 9.2587 9.2587 10.0136 10.0136 10.6980 10.6980 11.3144 11.3144 11.5747 11.5747 11.9538 11.9538 12.1881 12.1881 12.4101 12.4101 12.8561 12.8561 12.9308 12.9308 13.4690 13.4690 14.4310 14.4310 17.2404 17.2404 19.5008 19.5008 19.8753 19.8753 k = 0.4651 0.2685-0.0000 ( 3150 PWs) bands (ev): -3.9950 -3.9950 -3.9899 -3.9899 -3.9842 -3.9842 -3.9546 -3.9546 -1.5135 -1.5135 -1.4998 -1.4998 -1.4875 -1.4875 -1.4228 -1.4228 -1.3799 -1.3799 -1.3783 -1.3783 4.6774 4.6774 5.1768 5.1768 7.6197 7.6197 9.1387 9.1387 9.2516 9.2516 10.0129 10.0129 10.7020 10.7020 11.3473 11.3473 11.6017 11.6017 11.9756 11.9756 12.2272 12.2272 12.4055 12.4055 12.8340 12.8340 12.9084 12.9084 13.4054 13.4054 14.3752 14.3752 17.2268 17.2268 19.5205 19.5205 19.8471 19.8471 k = 0.4767 0.2752-0.0000 ( 3148 PWs) bands (ev): -3.9947 -3.9947 -3.9895 -3.9895 -3.9851 -3.9851 -3.9542 -3.9542 -1.5136 -1.5136 -1.4981 -1.4981 -1.4896 -1.4896 -1.4221 -1.4221 -1.3793 -1.3793 -1.3783 -1.3783 4.7369 4.7369 5.1337 5.1337 7.5949 7.5949 9.1367 9.1367 9.2466 9.2466 10.0123 10.0123 10.7046 10.7046 11.3713 11.3713 11.6212 11.6212 11.9936 11.9936 12.2624 12.2624 12.4019 12.4019 12.8031 12.8031 12.8992 12.8992 13.3604 13.3604 14.3332 14.3332 17.2172 17.2172 19.5379 19.5379 19.8229 19.8229 k = 0.4884 0.2820-0.0000 ( 3152 PWs) bands (ev): -3.9945 -3.9945 -3.9890 -3.9890 -3.9859 -3.9859 -3.9540 -3.9540 -1.5137 -1.5137 -1.4963 -1.4963 -1.4916 -1.4916 -1.4217 -1.4217 -1.3789 -1.3789 -1.3783 -1.3783 4.7806 4.7806 5.1000 5.1000 7.5797 7.5797 9.1355 9.1355 9.2436 9.2436 10.0118 10.0118 10.7061 10.7061 11.3860 11.3860 11.6329 11.6329 12.0052 12.0052 12.2885 12.2885 12.3999 12.3999 12.7767 12.7767 12.8958 12.8958 13.3342 13.3342 14.3071 14.3071 17.2115 17.2115 19.5503 19.5503 19.8061 19.8061 k = 0.5000 0.2887-0.0000 ( 3152 PWs) bands (ev): -3.9944 -3.9944 -3.9888 -3.9888 -3.9862 -3.9862 -3.9539 -3.9539 -1.5137 -1.5137 -1.4952 -1.4952 -1.4927 -1.4927 -1.4215 -1.4215 -1.3788 -1.3788 -1.3783 -1.3783 4.7975 4.7975 5.0865 5.0865 7.5746 7.5746 9.1351 9.1351 9.2426 9.2426 10.0116 10.0116 10.7066 10.7066 11.3909 11.3909 11.6368 11.6368 12.0092 12.0092 12.2985 12.2985 12.3993 12.3993 12.7662 12.7662 12.8948 12.8948 13.3257 13.3257 14.2982 14.2982 17.2096 17.2096 19.5548 19.5548 19.8001 19.8001 k = 0.5000 0.2887-0.0000 ( 3152 PWs) bands (ev): -3.9944 -3.9944 -3.9888 -3.9888 -3.9862 -3.9862 -3.9539 -3.9539 -1.5137 -1.5137 -1.4952 -1.4952 -1.4927 -1.4927 -1.4215 -1.4215 -1.3788 -1.3788 -1.3783 -1.3783 4.7975 4.7975 5.0865 5.0865 7.5746 7.5746 9.1351 9.1351 9.2426 9.2426 10.0116 10.0116 10.7066 10.7066 11.3909 11.3909 11.6368 11.6368 12.0092 12.0092 12.2985 12.2985 12.3993 12.3993 12.7662 12.7662 12.8948 12.8948 13.3257 13.3257 14.2982 14.2982 17.2096 17.2096 19.5548 19.5548 19.8001 19.8001 k = 0.4933 0.3002-0.0000 ( 3148 PWs) bands (ev): -3.9946 -3.9946 -3.9887 -3.9887 -3.9861 -3.9861 -3.9539 -3.9539 -1.5139 -1.5139 -1.4954 -1.4954 -1.4924 -1.4924 -1.4215 -1.4215 -1.3793 -1.3793 -1.3778 -1.3778 4.7989 4.7989 5.0868 5.0868 7.5744 7.5744 9.1345 9.1345 9.2424 9.2424 10.0123 10.0123 10.7061 10.7061 11.3855 11.3855 11.6295 11.6295 12.0145 12.0145 12.2994 12.2994 12.3992 12.3992 12.7677 12.7677 12.8973 12.8973 13.3190 13.3190 14.3126 14.3126 17.2078 17.2078 19.5517 19.5517 19.7626 19.7626 k = 0.4867 0.3118-0.0000 ( 3148 PWs) bands (ev): -3.9950 -3.9950 -3.9885 -3.9885 -3.9858 -3.9858 -3.9540 -3.9540 -1.5144 -1.5144 -1.4956 -1.4956 -1.4915 -1.4915 -1.4216 -1.4216 -1.3800 -1.3800 -1.3770 -1.3770 4.8030 4.8030 5.0876 5.0876 7.5737 7.5737 9.1326 9.1326 9.2419 9.2419 10.0142 10.0142 10.7044 10.7044 11.3693 11.3693 11.6098 11.6098 12.0286 12.0286 12.3020 12.3020 12.3992 12.3992 12.7710 12.7710 12.9054 12.9054 13.3012 13.3012 14.3536 14.3536 17.2024 17.2024 19.5236 19.5236 19.6906 19.6906 k = 0.4800 0.3233-0.0000 ( 3150 PWs) bands (ev): -3.9956 -3.9956 -3.9883 -3.9883 -3.9853 -3.9853 -3.9541 -3.9541 -1.5151 -1.5151 -1.4958 -1.4958 -1.4903 -1.4903 -1.4216 -1.4216 -1.3808 -1.3808 -1.3763 -1.3763 4.8099 4.8099 5.0890 5.0890 7.5726 7.5726 9.1296 9.1296 9.2411 9.2411 10.0175 10.0175 10.7014 10.7014 11.3421 11.3421 11.5820 11.5820 12.0475 12.0475 12.3062 12.3062 12.3991 12.3991 12.7742 12.7742 12.9200 12.9200 13.2784 13.2784 14.4165 14.4165 17.1931 17.1931 19.4215 19.4215 19.6645 19.6645 k = 0.4733 0.3349-0.0000 ( 3142 PWs) bands (ev): -3.9962 -3.9962 -3.9880 -3.9880 -3.9846 -3.9846 -3.9542 -3.9542 -1.5161 -1.5161 -1.4958 -1.4958 -1.4890 -1.4890 -1.4217 -1.4217 -1.3815 -1.3815 -1.3756 -1.3756 4.8196 4.8196 5.0909 5.0909 7.5710 7.5710 9.1253 9.1253 9.2401 9.2401 10.0220 10.0220 10.6968 10.6968 11.3043 11.3043 11.5503 11.5503 12.0675 12.0675 12.3114 12.3114 12.3989 12.3989 12.7760 12.7760 12.9407 12.9407 13.2580 13.2580 14.4952 14.4952 17.1796 17.1796 19.2672 19.2672 19.6779 19.6779 k = 0.4667 0.3464-0.0000 ( 3146 PWs) bands (ev): -3.9970 -3.9970 -3.9877 -3.9877 -3.9839 -3.9839 -3.9544 -3.9544 -1.5172 -1.5172 -1.4956 -1.4956 -1.4876 -1.4876 -1.4217 -1.4217 -1.3822 -1.3822 -1.3749 -1.3749 4.8318 4.8318 5.0934 5.0934 7.5688 7.5688 9.1200 9.1200 9.2388 9.2388 10.0275 10.0275 10.6900 10.6900 11.2572 11.2572 11.5174 11.5174 12.0859 12.0859 12.3167 12.3167 12.3986 12.3986 12.7772 12.7772 12.9639 12.9639 13.2480 13.2480 14.5848 14.5848 17.1613 17.1613 19.0940 19.0940 19.6862 19.6862 k = 0.4600 0.3580-0.0000 ( 3138 PWs) bands (ev): -3.9978 -3.9978 -3.9874 -3.9874 -3.9830 -3.9830 -3.9546 -3.9546 -1.5184 -1.5184 -1.4954 -1.4954 -1.4861 -1.4861 -1.4218 -1.4218 -1.3828 -1.3828 -1.3742 -1.3742 4.8465 4.8465 5.0964 5.0964 7.5659 7.5659 9.1138 9.1138 9.2373 9.2373 10.0340 10.0340 10.6802 10.6802 11.2036 11.2036 11.4843 11.4843 12.1014 12.1014 12.3205 12.3205 12.3982 12.3982 12.7805 12.7805 12.9838 12.9838 13.2559 13.2559 14.6810 14.6810 17.1377 17.1377 18.9133 18.9133 19.6009 19.6009 k = 0.4533 0.3695-0.0000 ( 3142 PWs) bands (ev): -3.9986 -3.9986 -3.9871 -3.9871 -3.9821 -3.9821 -3.9549 -3.9549 -1.5196 -1.5196 -1.4950 -1.4950 -1.4847 -1.4847 -1.4219 -1.4219 -1.3835 -1.3835 -1.3735 -1.3735 4.8636 4.8636 5.1000 5.1000 7.5623 7.5623 9.1067 9.1067 9.2357 9.2357 10.0412 10.0412 10.6661 10.6661 11.1467 11.1467 11.4511 11.4511 12.1136 12.1136 12.3211 12.3211 12.3975 12.3975 12.7892 12.7892 12.9960 12.9960 13.2855 13.2855 14.7807 14.7807 17.1077 17.1077 18.7293 18.7293 19.4505 19.4505 k = 0.4467 0.3811-0.0000 ( 3138 PWs) bands (ev): -3.9995 -3.9995 -3.9867 -3.9867 -3.9812 -3.9812 -3.9552 -3.9552 -1.5209 -1.5209 -1.4945 -1.4945 -1.4832 -1.4832 -1.4219 -1.4219 -1.3841 -1.3841 -1.3728 -1.3728 4.8830 4.8830 5.1041 5.1041 7.5578 7.5578 9.0990 9.0990 9.2338 9.2338 10.0489 10.0489 10.6460 10.6460 11.0906 11.0906 11.4178 11.4178 12.1227 12.1227 12.3172 12.3172 12.3966 12.3966 12.8057 12.8057 13.0011 13.0011 13.3354 13.3354 14.8816 14.8816 17.0704 17.0704 18.5444 18.5444 19.2925 19.2925 k = 0.4400 0.3926-0.0000 ( 3142 PWs) bands (ev): -4.0003 -4.0003 -3.9864 -3.9864 -3.9802 -3.9802 -3.9555 -3.9555 -1.5222 -1.5222 -1.4939 -1.4939 -1.4818 -1.4818 -1.4220 -1.4220 -1.3847 -1.3847 -1.3722 -1.3722 4.9043 4.9043 5.1089 5.1089 7.5523 7.5523 9.0908 9.0908 9.2317 9.2317 10.0567 10.0567 10.6179 10.6179 11.0392 11.0392 11.3844 11.3844 12.1288 12.1288 12.3090 12.3090 12.3956 12.3956 12.8306 12.8306 13.0024 13.0024 13.4008 13.4008 14.9819 14.9819 17.0247 17.0247 18.3601 18.3601 19.1387 19.1387 k = 0.4333 0.4041-0.0000 ( 3138 PWs) bands (ev): -4.0011 -4.0011 -3.9860 -3.9860 -3.9793 -3.9793 -3.9559 -3.9559 -1.5235 -1.5235 -1.4933 -1.4933 -1.4805 -1.4805 -1.4220 -1.4220 -1.3852 -1.3852 -1.3716 -1.3716 4.9274 4.9274 5.1143 5.1143 7.5458 7.5458 9.0825 9.0825 9.2292 9.2292 10.0640 10.0640 10.5806 10.5806 10.9960 10.9960 11.3511 11.3511 12.1323 12.1323 12.2975 12.2975 12.3946 12.3946 12.8622 12.8622 13.0040 13.0040 13.4772 13.4772 15.0802 15.0802 16.9694 16.9694 18.1775 18.1775 18.9935 18.9935 k = 0.4267 0.4157-0.0000 ( 3132 PWs) bands (ev): -4.0019 -4.0019 -3.9856 -3.9856 -3.9783 -3.9783 -3.9562 -3.9562 -1.5247 -1.5247 -1.4926 -1.4926 -1.4794 -1.4794 -1.4219 -1.4219 -1.3856 -1.3856 -1.3710 -1.3710 4.9520 4.9520 5.1205 5.1205 7.5379 7.5379 9.0741 9.0741 9.2264 9.2264 10.0703 10.0703 10.5342 10.5342 10.9629 10.9629 11.3184 11.3184 12.1332 12.1332 12.2846 12.2846 12.3938 12.3938 12.8962 12.8962 13.0104 13.0104 13.5618 13.5618 15.1754 15.1754 16.9035 16.9035 17.9975 17.9975 18.8594 18.8594 k = 0.4200 0.4272-0.0000 ( 3132 PWs) bands (ev): -4.0026 -4.0026 -3.9852 -3.9852 -3.9773 -3.9773 -3.9566 -3.9566 -1.5259 -1.5259 -1.4919 -1.4919 -1.4783 -1.4783 -1.4218 -1.4218 -1.3860 -1.3860 -1.3705 -1.3705 4.9776 4.9776 5.1274 5.1274 7.5287 7.5287 9.0661 9.0661 9.2230 9.2230 10.0744 10.0744 10.4813 10.4813 10.9396 10.9396 11.2866 11.2866 12.1312 12.1312 12.2720 12.2720 12.3930 12.3930 12.9243 12.9243 13.0289 13.0289 13.6526 13.6526 15.2667 15.2667 16.8264 16.8264 17.8209 17.8209 18.7383 18.7383 k = 0.4133 0.4388-0.0000 ( 3140 PWs) bands (ev): -4.0033 -4.0033 -3.9849 -3.9849 -3.9763 -3.9763 -3.9571 -3.9571 -1.5270 -1.5270 -1.4912 -1.4912 -1.4774 -1.4774 -1.4217 -1.4217 -1.3864 -1.3864 -1.3700 -1.3700 5.0037 5.0037 5.1354 5.1354 7.5180 7.5180 9.0585 9.0585 9.2190 9.2190 10.0748 10.0748 10.4262 10.4262 10.9246 10.9246 11.2562 11.2562 12.1263 12.1263 12.2615 12.2615 12.3924 12.3924 12.9398 12.9398 13.0652 13.0652 13.7484 13.7484 15.3536 15.3536 16.7378 16.7378 17.6483 17.6483 18.6310 18.6310 k = 0.4067 0.4503-0.0000 ( 3144 PWs) bands (ev): -4.0040 -4.0040 -3.9846 -3.9846 -3.9753 -3.9753 -3.9575 -3.9575 -1.5281 -1.5281 -1.4904 -1.4904 -1.4767 -1.4767 -1.4215 -1.4215 -1.3867 -1.3867 -1.3695 -1.3695 5.0297 5.0297 5.1446 5.1446 7.5059 7.5059 9.0516 9.0516 9.2141 9.2141 10.0693 10.0693 10.3742 10.3742 10.9159 10.9159 11.2276 11.2276 12.1186 12.1186 12.2537 12.2537 12.3918 12.3918 12.9454 12.9454 13.1149 13.1149 13.8482 13.8482 15.4352 15.4352 16.6384 16.6384 17.4805 17.4805 18.5380 18.5380 k = 0.4000 0.4619-0.0000 ( 3144 PWs) bands (ev): -4.0046 -4.0046 -3.9842 -3.9842 -3.9743 -3.9743 -3.9579 -3.9579 -1.5291 -1.5291 -1.4896 -1.4896 -1.4762 -1.4762 -1.4212 -1.4212 -1.3869 -1.3869 -1.3691 -1.3691 5.0548 5.0548 5.1555 5.1555 7.4921 7.4921 9.0457 9.0457 9.2083 9.2083 10.0553 10.0553 10.3304 10.3304 10.9118 10.9118 11.2013 11.2013 12.1085 12.1085 12.2490 12.2490 12.3913 12.3913 12.9466 12.9466 13.1715 13.1715 13.9515 13.9515 15.5110 15.5110 16.5296 16.5296 17.3181 17.3181 18.4588 18.4588 k = 0.3933 0.4734-0.0000 ( 3144 PWs) bands (ev): -4.0052 -4.0052 -3.9839 -3.9839 -3.9734 -3.9734 -3.9584 -3.9584 -1.5299 -1.5299 -1.4888 -1.4888 -1.4758 -1.4758 -1.4209 -1.4209 -1.3871 -1.3871 -1.3687 -1.3687 5.0780 5.0780 5.1685 5.1685 7.4770 7.4770 9.0408 9.0408 9.2013 9.2013 10.0314 10.0314 10.2984 10.2984 10.9110 10.9110 11.1774 11.1774 12.0968 12.0968 12.2470 12.2470 12.3908 12.3908 12.9459 12.9459 13.2311 13.2311 14.0578 14.0578 15.5798 15.5798 16.4139 16.4139 17.1618 17.1618 18.3927 18.3927 k = 0.3867 0.4850-0.0000 ( 3138 PWs) bands (ev): -4.0057 -4.0057 -3.9837 -3.9837 -3.9725 -3.9725 -3.9588 -3.9588 -1.5307 -1.5307 -1.4880 -1.4880 -1.4756 -1.4756 -1.4205 -1.4205 -1.3872 -1.3872 -1.3684 -1.3684 5.0986 5.0986 5.1837 5.1837 7.4605 7.4605 9.0372 9.0372 9.1931 9.1931 9.9991 9.9991 10.2785 10.2785 10.9126 10.9126 11.1564 11.1564 12.0843 12.0843 12.2471 12.2471 12.3904 12.3904 12.9444 12.9444 13.2914 13.2914 14.1667 14.1667 15.6395 15.6395 16.2954 16.2954 17.0124 17.0124 18.3382 18.3382 k = 0.3800 0.4965-0.0000 ( 3143 PWs) bands (ev): -4.0062 -4.0062 -3.9834 -3.9834 -3.9716 -3.9716 -3.9593 -3.9593 -1.5314 -1.5314 -1.4872 -1.4872 -1.4756 -1.4756 -1.4200 -1.4200 -1.3873 -1.3873 -1.3681 -1.3681 5.1161 5.1161 5.2009 5.2009 7.4431 7.4431 9.0348 9.0348 9.1837 9.1837 9.9627 9.9627 10.2677 10.2677 10.9158 10.9158 11.1384 11.1384 12.0717 12.0717 12.2487 12.2487 12.3901 12.3901 12.9426 12.9426 13.3506 13.3506 14.2779 14.2779 15.6846 15.6846 16.1817 16.1817 16.8706 16.8706 18.2942 18.2942 k = 0.3733 0.5081-0.0000 ( 3139 PWs) bands (ev): -4.0066 -4.0066 -3.9832 -3.9832 -3.9708 -3.9708 -3.9597 -3.9597 -1.5320 -1.5320 -1.4864 -1.4864 -1.4757 -1.4757 -1.4196 -1.4196 -1.3873 -1.3873 -1.3679 -1.3679 5.1309 5.1309 5.2190 5.2190 7.4253 7.4253 9.0339 9.0339 9.1731 9.1731 9.9264 9.9264 10.2626 10.2626 10.9200 10.9200 11.1235 11.1235 12.0597 12.0597 12.2514 12.2514 12.3898 12.3898 12.9407 12.9407 13.4071 13.4071 14.3910 14.3910 15.7019 15.7019 16.0881 16.0881 16.7375 16.7375 18.2592 18.2592 k = 0.3667 0.5196-0.0000 ( 3141 PWs) bands (ev): -4.0069 -4.0069 -3.9831 -3.9831 -3.9701 -3.9701 -3.9600 -3.9600 -1.5325 -1.5325 -1.4856 -1.4856 -1.4760 -1.4760 -1.4191 -1.4191 -1.3873 -1.3873 -1.3677 -1.3677 5.1436 5.1436 5.2366 5.2366 7.4075 7.4075 9.0344 9.0344 9.1617 9.1617 9.8935 9.8935 10.2606 10.2606 10.9246 10.9246 11.1116 11.1116 12.0486 12.0486 12.2547 12.2547 12.3895 12.3895 12.9389 12.9389 13.4593 13.4593 14.5060 14.5060 15.6697 15.6697 16.0388 16.0388 16.6142 16.6142 18.2318 18.2318 k = 0.3600 0.5312-0.0000 ( 3145 PWs) bands (ev): -4.0072 -4.0072 -3.9829 -3.9829 -3.9695 -3.9695 -3.9604 -3.9604 -1.5330 -1.5330 -1.4849 -1.4849 -1.4764 -1.4764 -1.4187 -1.4187 -1.3873 -1.3873 -1.3676 -1.3676 5.1547 5.1547 5.2523 5.2523 7.3908 7.3908 9.0361 9.0361 9.1499 9.1499 9.8658 9.8658 10.2601 10.2601 10.9292 10.9292 11.1027 11.1027 12.0389 12.0389 12.2584 12.2584 12.3893 12.3893 12.9373 12.9373 13.5056 13.5056 14.6224 14.6224 15.5849 15.5849 16.0389 16.0389 16.5020 16.5020 18.2112 18.2112 k = 0.3533 0.5427-0.0000 ( 3137 PWs) bands (ev): -4.0074 -4.0074 -3.9828 -3.9828 -3.9690 -3.9690 -3.9606 -3.9606 -1.5333 -1.5333 -1.4842 -1.4842 -1.4768 -1.4768 -1.4183 -1.4183 -1.3872 -1.3872 -1.3675 -1.3675 5.1645 5.1645 5.2648 5.2648 7.3760 7.3760 9.0388 9.0388 9.1384 9.1384 9.8442 9.8442 10.2603 10.2603 10.9334 10.9334 11.0965 11.0965 12.0309 12.0309 12.2619 12.2619 12.3891 12.3891 12.9360 12.9360 13.5443 13.5443 14.7402 14.7402 15.4714 15.4714 16.0665 16.0665 16.4023 16.4023 18.1962 18.1962 k = 0.3467 0.5543-0.0000 ( 3129 PWs) bands (ev): -4.0076 -4.0076 -3.9827 -3.9827 -3.9687 -3.9687 -3.9608 -3.9608 -1.5335 -1.5335 -1.4836 -1.4836 -1.4772 -1.4772 -1.4179 -1.4179 -1.3872 -1.3872 -1.3674 -1.3674 5.1729 5.1729 5.2733 5.2733 7.3641 7.3641 9.0421 9.0421 9.1284 9.1284 9.8290 9.8290 10.2605 10.2605 10.9367 10.9367 11.0927 11.0927 12.0248 12.0248 12.2650 12.2650 12.3890 12.3890 12.9349 12.9349 13.5737 13.5737 14.8591 14.8591 15.3476 15.3476 16.1051 16.1051 16.3167 16.3167 18.1861 18.1861 k = 0.3400 0.5658-0.0000 ( 3123 PWs) bands (ev): -4.0077 -4.0077 -3.9827 -3.9827 -3.9685 -3.9685 -3.9609 -3.9609 -1.5336 -1.5336 -1.4832 -1.4832 -1.4775 -1.4775 -1.4177 -1.4177 -1.3872 -1.3872 -1.3674 -1.3674 5.1792 5.1792 5.2777 5.2777 7.3562 7.3562 9.0449 9.0449 9.1212 9.1212 9.8201 9.8201 10.2607 10.2607 10.9388 10.9388 11.0909 11.0909 12.0211 12.0211 12.2672 12.2672 12.3889 12.3889 12.9342 12.9342 13.5923 13.5923 14.9788 14.9788 15.2221 15.2221 16.1480 16.1480 16.2464 16.2464 18.1805 18.1805 k = 0.3333 0.5774-0.0000 ( 3111 PWs) bands (ev): -4.0077 -4.0077 -3.9827 -3.9827 -3.9684 -3.9684 -3.9609 -3.9609 -1.5337 -1.5337 -1.4831 -1.4831 -1.4777 -1.4777 -1.4177 -1.4177 -1.3872 -1.3872 -1.3674 -1.3674 5.1818 5.1818 5.2788 5.2788 7.3533 7.3533 9.0460 9.0460 9.1184 9.1184 9.8172 9.8172 10.2608 10.2608 10.9396 10.9396 11.0904 11.0904 12.0198 12.0198 12.2680 12.2680 12.3889 12.3889 12.9340 12.9340 13.5987 13.5987 15.0954 15.0954 15.1030 15.1030 16.1894 16.1894 16.1960 16.1960 18.1787 18.1787 k = 0.3333 0.5774-0.0000 ( 3111 PWs) bands (ev): -4.0077 -4.0077 -3.9827 -3.9827 -3.9684 -3.9684 -3.9609 -3.9609 -1.5337 -1.5337 -1.4831 -1.4831 -1.4777 -1.4777 -1.4177 -1.4177 -1.3872 -1.3872 -1.3674 -1.3674 5.1818 5.1818 5.2788 5.2788 7.3533 7.3533 9.0460 9.0460 9.1184 9.1184 9.8172 9.8172 10.2608 10.2608 10.9396 10.9396 11.0904 11.0904 12.0198 12.0198 12.2680 12.2680 12.3889 12.3889 12.9340 12.9340 13.5987 13.5987 15.0954 15.0954 15.1030 15.1030 16.1894 16.1894 16.1960 16.1960 18.1787 18.1787 k = 0.3267 0.5658-0.0000 ( 3119 PWs) bands (ev): -4.0077 -4.0077 -3.9827 -3.9827 -3.9684 -3.9684 -3.9609 -3.9609 -1.5336 -1.5336 -1.4832 -1.4832 -1.4775 -1.4775 -1.4177 -1.4177 -1.3872 -1.3872 -1.3674 -1.3674 5.1781 5.1781 5.2787 5.2787 7.3564 7.3564 9.0448 9.0448 9.1213 9.1213 9.8200 9.8200 10.2608 10.2608 10.9388 10.9388 11.0907 11.0907 12.0211 12.0211 12.2670 12.2670 12.3889 12.3889 12.9343 12.9343 13.5921 13.5921 14.9816 14.9816 15.2199 15.2199 16.1564 16.1564 16.2381 16.2381 18.1804 18.1804 k = 0.3200 0.5543-0.0000 ( 3127 PWs) bands (ev): -4.0076 -4.0076 -3.9827 -3.9827 -3.9686 -3.9686 -3.9609 -3.9609 -1.5335 -1.5335 -1.4836 -1.4836 -1.4771 -1.4771 -1.4180 -1.4180 -1.3872 -1.3872 -1.3674 -1.3674 5.1646 5.1646 5.2805 5.2805 7.3661 7.3661 9.0417 9.0417 9.1295 9.1295 9.8279 9.8279 10.2607 10.2607 10.9363 10.9363 11.0910 11.0910 12.0252 12.0252 12.2636 12.2636 12.3890 12.3890 12.9351 12.9351 13.5722 13.5722 14.8716 14.8716 15.3405 15.3405 16.1380 16.1380 16.2837 16.2837 18.1853 18.1853 k = 0.3133 0.5427-0.0000 ( 3129 PWs) bands (ev): -4.0075 -4.0075 -3.9828 -3.9828 -3.9688 -3.9688 -3.9608 -3.9608 -1.5333 -1.5333 -1.4843 -1.4843 -1.4765 -1.4765 -1.4185 -1.4185 -1.3873 -1.3873 -1.3675 -1.3675 5.1395 5.1395 5.2860 5.2860 7.3827 7.3827 9.0378 9.0378 9.1420 9.1420 9.8406 9.8406 10.2606 10.2606 10.9322 10.9322 11.0907 11.0907 12.0319 12.0319 12.2574 12.2574 12.3892 12.3892 12.9364 12.9364 13.5394 13.5394 14.7706 14.7706 15.4606 15.4606 16.1373 16.1373 16.3297 16.3297 18.1933 18.1933 k = 0.3067 0.5312-0.0000 ( 3137 PWs) bands (ev): -4.0073 -4.0073 -3.9829 -3.9829 -3.9691 -3.9691 -3.9608 -3.9608 -1.5330 -1.5330 -1.4850 -1.4850 -1.4758 -1.4758 -1.4191 -1.4191 -1.3875 -1.3875 -1.3676 -1.3676 5.1033 5.1033 5.2950 5.2950 7.4064 7.4064 9.0342 9.0342 9.1577 9.1577 9.8577 9.8577 10.2606 10.2606 10.9263 10.9263 11.0892 11.0892 12.0412 12.0412 12.2479 12.2479 12.3895 12.3895 12.9384 12.9384 13.4950 13.4950 14.6801 14.6801 15.5797 15.5797 16.1534 16.1534 16.3762 16.3762 18.2043 18.2043 k = 0.3000 0.5196-0.0000 ( 3133 PWs) bands (ev): -4.0070 -4.0070 -3.9830 -3.9830 -3.9694 -3.9694 -3.9609 -3.9609 -1.5327 -1.5327 -1.4857 -1.4857 -1.4750 -1.4750 -1.4200 -1.4200 -1.3877 -1.3877 -1.3677 -1.3677 5.0573 5.0573 5.3067 5.3067 7.4369 7.4369 9.0315 9.0315 9.1760 9.1760 9.8790 9.8790 10.2607 10.2607 10.9190 10.9190 11.0857 11.0857 12.0524 12.0524 12.2350 12.2350 12.3900 12.3900 12.9407 12.9407 13.4405 13.4405 14.6011 14.6011 15.6971 15.6971 16.1853 16.1853 16.4236 16.4236 18.2182 18.2182 k = 0.2933 0.5081-0.0000 ( 3129 PWs) bands (ev): -4.0068 -4.0068 -3.9831 -3.9831 -3.9697 -3.9697 -3.9610 -3.9610 -1.5323 -1.5323 -1.4865 -1.4865 -1.4741 -1.4741 -1.4210 -1.4210 -1.3880 -1.3880 -1.3679 -1.3679 5.0028 5.0028 5.3205 5.3205 7.4739 7.4739 9.0299 9.0299 9.1964 9.1964 9.9040 9.9040 10.2609 10.2609 10.9103 10.9103 11.0798 11.0798 12.0649 12.0649 12.2189 12.2189 12.3906 12.3906 12.9434 12.9434 13.3785 13.3785 14.5346 14.5346 15.8119 15.8119 16.2319 16.2319 16.4722 16.4722 18.2349 18.2349 k = 0.2867 0.4965-0.0000 ( 3121 PWs) bands (ev): -4.0064 -4.0064 -3.9833 -3.9833 -3.9699 -3.9699 -3.9612 -3.9612 -1.5319 -1.5319 -1.4872 -1.4872 -1.4732 -1.4732 -1.4223 -1.4223 -1.3883 -1.3883 -1.3681 -1.3681 4.9409 4.9409 5.3361 5.3361 7.5166 7.5166 9.0296 9.0296 9.2186 9.2186 9.9326 9.9326 10.2610 10.2610 10.9006 10.9006 11.0710 11.0710 12.0769 12.0769 12.2004 12.2004 12.3914 12.3914 12.9458 12.9458 13.3118 13.3118 14.4811 14.4811 15.9233 15.9233 16.2915 16.2915 16.5225 16.5225 18.2546 18.2546 k = 0.2800 0.4850-0.0000 ( 3121 PWs) bands (ev): -4.0061 -4.0061 -3.9834 -3.9834 -3.9702 -3.9702 -3.9615 -3.9615 -1.5314 -1.5314 -1.4879 -1.4879 -1.4722 -1.4722 -1.4237 -1.4237 -1.3887 -1.3887 -1.3684 -1.3684 4.8729 4.8729 5.3530 5.3530 7.5644 7.5644 9.0306 9.0306 9.2424 9.2424 9.9644 9.9644 10.2609 10.2609 10.8903 10.8903 11.0587 11.0587 12.0852 12.0852 12.1821 12.1821 12.3925 12.3925 12.9468 12.9468 13.2443 13.2443 14.4408 14.4408 16.0302 16.0302 16.3628 16.3628 16.5752 16.5752 18.2772 18.2772 k = 0.2733 0.4734-0.0000 ( 3119 PWs) bands (ev): -4.0058 -4.0058 -3.9836 -3.9836 -3.9704 -3.9704 -3.9619 -3.9619 -1.5309 -1.5309 -1.4885 -1.4885 -1.4712 -1.4712 -1.4254 -1.4254 -1.3892 -1.3892 -1.3687 -1.3687 4.7998 4.7998 5.3714 5.3714 7.6164 7.6164 9.0327 9.0327 9.2676 9.2676 9.9991 9.9991 10.2602 10.2602 10.8800 10.8800 11.0426 11.0426 12.0840 12.0840 12.1689 12.1689 12.3939 12.3939 12.9441 12.9441 13.1813 13.1813 14.4135 14.4135 16.1320 16.1320 16.4432 16.4432 16.6317 16.6317 18.3030 18.3030 k = 0.2667 0.4619-0.0000 ( 3127 PWs) bands (ev): -4.0055 -4.0055 -3.9837 -3.9837 -3.9705 -3.9705 -3.9624 -3.9624 -1.5304 -1.5304 -1.4891 -1.4891 -1.4701 -1.4701 -1.4272 -1.4272 -1.3898 -1.3898 -1.3691 -1.3691 4.7224 4.7224 5.3911 5.3911 7.6719 7.6719 9.0361 9.0361 9.2939 9.2939 10.0361 10.0361 10.2586 10.2586 10.8703 10.8703 11.0227 11.0227 12.0688 12.0688 12.1639 12.1639 12.3957 12.3957 12.9332 12.9332 13.1307 13.1307 14.3987 14.3987 16.2287 16.2287 16.5293 16.5293 16.6939 16.6939 18.3320 18.3320 k = 0.2600 0.4503-0.0000 ( 3123 PWs) bands (ev): -4.0053 -4.0053 -3.9838 -3.9838 -3.9706 -3.9706 -3.9630 -3.9630 -1.5300 -1.5300 -1.4895 -1.4895 -1.4690 -1.4690 -1.4291 -1.4291 -1.3905 -1.3905 -1.3696 -1.3696 4.6416 4.6416 5.4121 5.4121 7.7298 7.7298 9.0406 9.0406 9.3213 9.3213 10.0748 10.0748 10.2557 10.2557 10.8620 10.8620 10.9988 10.9988 12.0428 12.0428 12.1623 12.1623 12.3979 12.3979 12.9097 12.9097 13.1008 13.1008 14.3958 14.3958 16.3204 16.3204 16.6160 16.6160 16.7654 16.7654 18.3644 18.3644 k = 0.2533 0.4388-0.0000 ( 3127 PWs) bands (ev): -4.0051 -4.0051 -3.9839 -3.9839 -3.9706 -3.9706 -3.9637 -3.9637 -1.5296 -1.5296 -1.4899 -1.4899 -1.4679 -1.4679 -1.4312 -1.4312 -1.3912 -1.3912 -1.3703 -1.3703 4.5581 4.5581 5.4344 5.4344 7.7895 7.7895 9.0461 9.0461 9.3495 9.3495 10.1137 10.1137 10.2516 10.2516 10.8559 10.8559 10.9716 10.9716 12.0113 12.0113 12.1570 12.1570 12.4006 12.4006 12.8764 12.8764 13.0929 13.0929 14.4037 14.4037 16.4078 16.4078 16.6980 16.6980 16.8494 16.8494 18.4005 18.4005 k = 0.2467 0.4272-0.0000 ( 3123 PWs) bands (ev): -4.0050 -4.0050 -3.9838 -3.9838 -3.9706 -3.9706 -3.9645 -3.9645 -1.5292 -1.5292 -1.4901 -1.4901 -1.4667 -1.4667 -1.4333 -1.4333 -1.3920 -1.3920 -1.3710 -1.3710 4.4728 4.4728 5.4580 5.4580 7.8500 7.8500 9.0525 9.0525 9.3784 9.3784 10.1496 10.1496 10.2481 10.2481 10.8523 10.8523 10.9421 10.9421 11.9772 11.9772 12.1435 12.1435 12.4034 12.4034 12.8430 12.8430 13.1010 13.1010 14.4214 14.4214 16.4912 16.4912 16.7733 16.7733 16.9465 16.9465 18.4404 18.4404 k = 0.2400 0.4157-0.0000 ( 3123 PWs) bands (ev): -4.0050 -4.0050 -3.9837 -3.9837 -3.9706 -3.9706 -3.9654 -3.9654 -1.5290 -1.5290 -1.4902 -1.4902 -1.4655 -1.4655 -1.4355 -1.4355 -1.3930 -1.3930 -1.3718 -1.3718 4.3861 4.3861 5.4830 5.4830 7.9107 7.9107 9.0599 9.0599 9.4077 9.4077 10.1724 10.1724 10.2533 10.2533 10.8497 10.8497 10.9137 10.9137 11.9415 11.9415 12.1200 12.1200 12.4062 12.4062 12.8172 12.8172 13.1203 13.1203 14.4478 14.4478 16.5708 16.5708 16.8439 16.8439 17.0530 17.0530 18.4845 18.4845 k = 0.2333 0.4041-0.0000 ( 3121 PWs) bands (ev): -4.0052 -4.0052 -3.9834 -3.9834 -3.9705 -3.9705 -3.9664 -3.9664 -1.5289 -1.5289 -1.4902 -1.4902 -1.4644 -1.4644 -1.4377 -1.4377 -1.3939 -1.3939 -1.3727 -1.3727 4.2987 4.2987 5.5093 5.5093 7.9708 7.9708 9.0680 9.0680 9.4374 9.4374 10.1703 10.1703 10.2777 10.2777 10.8392 10.8392 10.8967 10.8967 11.9042 11.9042 12.0877 12.0877 12.4089 12.4089 12.8015 12.8015 13.1489 13.1489 14.4816 14.4816 16.6468 16.6468 16.9126 16.9126 17.1653 17.1653 18.5330 18.5330 k = 0.2267 0.3926-0.0000 ( 3125 PWs) bands (ev): -4.0054 -4.0054 -3.9831 -3.9831 -3.9705 -3.9705 -3.9673 -3.9673 -1.5288 -1.5288 -1.4901 -1.4901 -1.4633 -1.4633 -1.4399 -1.4399 -1.3950 -1.3950 -1.3737 -1.3737 4.2110 4.2110 5.5370 5.5370 8.0297 8.0297 9.0768 9.0768 9.4673 9.4673 10.1494 10.1494 10.3132 10.3132 10.8128 10.8128 10.9007 10.9007 11.8650 11.8650 12.0502 12.0502 12.4117 12.4117 12.7955 12.7955 13.1860 13.1860 14.5218 14.5218 16.7192 16.7192 16.9810 16.9810 17.2805 17.2805 18.5863 18.5863 k = 0.2200 0.3811-0.0000 ( 3133 PWs) bands (ev): -4.0059 -4.0059 -3.9825 -3.9825 -3.9708 -3.9708 -3.9680 -3.9680 -1.5290 -1.5290 -1.4899 -1.4899 -1.4623 -1.4623 -1.4419 -1.4419 -1.3962 -1.3962 -1.3747 -1.3747 4.1233 4.1233 5.5660 5.5660 8.0868 8.0868 9.0862 9.0862 9.4970 9.4970 10.1175 10.1175 10.3509 10.3509 10.7794 10.7794 10.9173 10.9173 11.8235 11.8235 12.0120 12.0120 12.4148 12.4148 12.7964 12.7964 13.2318 13.2318 14.5674 14.5674 16.7880 16.7880 17.0498 17.0498 17.3970 17.3970 18.6446 18.6446 k = 0.2133 0.3695-0.0000 ( 3133 PWs) bands (ev): -4.0064 -4.0064 -3.9819 -3.9819 -3.9715 -3.9715 -3.9683 -3.9683 -1.5293 -1.5293 -1.4895 -1.4895 -1.4616 -1.4616 -1.4436 -1.4436 -1.3974 -1.3974 -1.3759 -1.3759 4.0362 4.0362 5.5965 5.5965 8.1417 8.1417 9.0961 9.0961 9.5264 9.5264 10.0772 10.0772 10.3872 10.3872 10.7454 10.7454 10.9394 10.9394 11.7810 11.7810 11.9772 11.9772 12.4186 12.4186 12.8019 12.8019 13.2860 13.2860 14.6172 14.6172 16.8531 16.8531 17.1194 17.1194 17.5136 17.5136 18.7081 18.7081 k = 0.2067 0.3580-0.0000 ( 3141 PWs) bands (ev): -4.0071 -4.0071 -3.9811 -3.9811 -3.9728 -3.9728 -3.9681 -3.9681 -1.5298 -1.5298 -1.4891 -1.4891 -1.4612 -1.4612 -1.4449 -1.4449 -1.3987 -1.3987 -1.3771 -1.3771 3.9498 3.9498 5.6283 5.6283 8.1939 8.1939 9.1063 9.1063 9.5550 9.5550 10.0301 10.0301 10.4203 10.4203 10.7138 10.7138 10.9619 10.9619 11.7413 11.7413 11.9481 11.9481 12.4232 12.4232 12.8097 12.8097 13.3485 13.3485 14.6703 14.6703 16.9145 16.9145 17.1897 17.1897 17.6296 17.6296 18.7773 18.7773 k = 0.2000 0.3464-0.0000 ( 3139 PWs) bands (ev): -4.0079 -4.0079 -3.9803 -3.9803 -3.9742 -3.9742 -3.9678 -3.9678 -1.5304 -1.5304 -1.4886 -1.4886 -1.4613 -1.4613 -1.4455 -1.4455 -1.4001 -1.4001 -1.3784 -1.3784 3.8646 3.8646 5.6615 5.6615 8.2431 8.2431 9.1168 9.1168 9.5825 9.5825 9.9773 9.9773 10.4483 10.4483 10.6867 10.6867 10.9792 10.9792 11.7107 11.7107 11.9249 11.9249 12.4291 12.4291 12.8187 12.8187 13.4188 13.4188 14.7260 14.7260 16.9722 16.9722 17.2607 17.2607 17.7443 17.7443 18.8521 18.8521 k = 0.1933 0.3349-0.0000 ( 3135 PWs) bands (ev): -4.0088 -4.0088 -3.9794 -3.9794 -3.9757 -3.9757 -3.9673 -3.9673 -1.5313 -1.5313 -1.4880 -1.4880 -1.4620 -1.4620 -1.4456 -1.4456 -1.4015 -1.4015 -1.3796 -1.3796 3.7807 3.7807 5.6961 5.6961 8.2891 8.2891 9.1272 9.1272 9.6077 9.6077 9.9209 9.9209 10.4689 10.4689 10.6668 10.6668 10.9847 10.9847 11.6963 11.6963 11.9073 11.9073 12.4365 12.4365 12.8279 12.8279 13.4964 13.4964 14.7835 14.7835 17.0259 17.0259 17.3324 17.3324 17.8572 17.8572 18.9329 18.9329 k = 0.1867 0.3233-0.0000 ( 3131 PWs) bands (ev): -4.0099 -4.0099 -3.9787 -3.9787 -3.9770 -3.9770 -3.9668 -3.9668 -1.5323 -1.5323 -1.4874 -1.4874 -1.4631 -1.4631 -1.4450 -1.4450 -1.4030 -1.4030 -1.3809 -1.3809 3.6984 3.6984 5.7320 5.7320 8.3318 8.3318 9.1375 9.1375 9.6285 9.6285 9.8640 9.8640 10.4793 10.4793 10.6565 10.6565 10.9738 10.9738 11.7031 11.7031 11.8952 11.8952 12.4462 12.4462 12.8373 12.8373 13.5807 13.5807 14.8420 14.8420 17.0752 17.0752 17.4049 17.4049 17.9678 17.9678 19.0195 19.0195 k = 0.1800 0.3118-0.0000 ( 3139 PWs) bands (ev): -4.0110 -4.0110 -3.9796 -3.9796 -3.9768 -3.9768 -3.9662 -3.9662 -1.5335 -1.5335 -1.4869 -1.4869 -1.4646 -1.4646 -1.4441 -1.4441 -1.4045 -1.4045 -1.3821 -1.3821 3.6179 3.6179 5.7692 5.7692 8.3712 8.3712 9.1474 9.1474 9.6389 9.6389 9.8132 9.8132 10.4783 10.4783 10.6564 10.6564 10.9464 10.9464 11.7303 11.7303 11.8894 11.8894 12.4588 12.4588 12.8467 12.8467 13.6710 13.6710 14.9009 14.9009 17.1201 17.1201 17.4784 17.4784 18.0757 18.0757 19.1120 19.1120 k = 0.1733 0.3002-0.0000 ( 3139 PWs) bands (ev): -4.0121 -4.0121 -3.9813 -3.9813 -3.9757 -3.9757 -3.9656 -3.9656 -1.5349 -1.5349 -1.4863 -1.4863 -1.4662 -1.4662 -1.4430 -1.4430 -1.4061 -1.4061 -1.3832 -1.3832 3.5393 3.5393 5.8078 5.8078 8.4072 8.4072 9.1567 9.1567 9.6259 9.6259 9.7826 9.7826 10.4679 10.4679 10.6621 10.6621 10.9078 10.9078 11.7692 11.7692 11.8942 11.8942 12.4755 12.4755 12.8563 12.8563 13.7668 13.7668 14.9597 14.9597 17.1602 17.1602 17.5531 17.5531 18.1806 18.1806 19.2102 19.2102 k = 0.1667 0.2887-0.0000 ( 3137 PWs) bands (ev): -4.0133 -4.0133 -3.9831 -3.9831 -3.9745 -3.9745 -3.9650 -3.9650 -1.5364 -1.5364 -1.4857 -1.4857 -1.4679 -1.4679 -1.4417 -1.4417 -1.4077 -1.4077 -1.3841 -1.3841 3.4628 3.4628 5.8475 5.8475 8.4400 8.4400 9.1651 9.1651 9.5829 9.5829 9.7794 9.7794 10.4510 10.4510 10.6654 10.6654 10.8678 10.8678 11.8024 11.8024 11.9201 11.9201 12.4979 12.4979 12.8666 12.8666 13.8675 13.8675 15.0179 15.0179 17.1954 17.1954 17.6292 17.6292 18.2819 18.2819 19.3138 19.3138 k = 0.1600 0.2771-0.0000 ( 3137 PWs) bands (ev): -4.0146 -4.0146 -3.9850 -3.9850 -3.9733 -3.9733 -3.9643 -3.9643 -1.5381 -1.5381 -1.4852 -1.4852 -1.4695 -1.4695 -1.4405 -1.4405 -1.4093 -1.4093 -1.3848 -1.3848 3.3885 3.3885 5.8885 5.8885 8.4696 8.4696 9.1726 9.1726 9.5223 9.5223 9.7917 9.7917 10.4295 10.4295 10.6552 10.6552 10.8401 10.8401 11.8185 11.8185 11.9712 11.9712 12.5282 12.5282 12.8783 12.8783 13.9728 13.9728 15.0750 15.0750 17.2258 17.2258 17.7066 17.7066 18.3791 18.3791 19.4223 19.4223 k = 0.1533 0.2656-0.0000 ( 3141 PWs) bands (ev): -4.0159 -4.0159 -3.9870 -3.9870 -3.9720 -3.9720 -3.9635 -3.9635 -1.5400 -1.5400 -1.4848 -1.4848 -1.4711 -1.4711 -1.4394 -1.4394 -1.4110 -1.4110 -1.3853 -1.3853 3.3166 3.3166 5.9305 5.9305 8.4964 8.4964 9.1788 9.1788 9.4550 9.4550 9.8092 9.8092 10.4030 10.4030 10.6260 10.6260 10.8336 10.8336 11.8245 11.8245 12.0334 12.0334 12.5684 12.5684 12.8928 12.8928 14.0821 14.0821 15.1308 15.1308 17.2517 17.2517 17.7855 17.7855 18.4718 18.4718 19.5354 19.5354 k = 0.1467 0.2540-0.0000 ( 3137 PWs) bands (ev): -4.0172 -4.0172 -3.9889 -3.9889 -3.9707 -3.9707 -3.9628 -3.9628 -1.5420 -1.5420 -1.4844 -1.4844 -1.4725 -1.4725 -1.4385 -1.4385 -1.4126 -1.4126 -1.3855 -1.3855 3.2472 3.2472 5.9736 5.9736 8.5205 8.5205 9.1837 9.1837 9.3853 9.3853 9.8277 9.8277 10.3692 10.3692 10.5868 10.5868 10.8439 10.8439 11.8275 11.8275 12.0934 12.0934 12.6197 12.6197 12.9126 12.9126 14.1951 14.1951 15.1850 15.1850 17.2733 17.2733 17.8656 17.8656 18.5592 18.5592 19.6525 19.6525 k = 0.1400 0.2425-0.0000 ( 3133 PWs) bands (ev): -4.0185 -4.0185 -3.9909 -3.9909 -3.9695 -3.9695 -3.9620 -3.9620 -1.5441 -1.5441 -1.4842 -1.4842 -1.4738 -1.4738 -1.4378 -1.4378 -1.4143 -1.4143 -1.3853 -1.3853 3.1804 3.1804 6.0177 6.0177 8.5421 8.5421 9.1871 9.1871 9.3153 9.3153 9.8453 9.8453 10.3262 10.3262 10.5500 10.5500 10.8626 10.8626 11.8299 11.8299 12.1447 12.1447 12.6788 12.6788 12.9430 12.9430 14.3114 14.3114 15.2372 15.2372 17.2913 17.2913 17.9468 17.9468 18.6405 18.6405 19.7730 19.7730 k = 0.1333 0.2309-0.0000 ( 3133 PWs) bands (ev): -4.0198 -4.0198 -3.9928 -3.9928 -3.9683 -3.9683 -3.9612 -3.9612 -1.5462 -1.5462 -1.4840 -1.4840 -1.4750 -1.4750 -1.4373 -1.4373 -1.4160 -1.4160 -1.3848 -1.3848 3.1162 3.1162 6.0625 6.0625 8.5614 8.5614 9.1883 9.1883 9.2466 9.2466 9.8603 9.8603 10.2741 10.2741 10.5215 10.5215 10.8852 10.8852 11.8328 11.8328 12.1853 12.1853 12.7362 12.7362 12.9929 12.9929 14.4307 14.4307 15.2875 15.2875 17.3062 17.3062 18.0287 18.0287 18.7149 18.7149 19.8961 19.8961 k = 0.1267 0.2194-0.0000 ( 3131 PWs) bands (ev): -4.0212 -4.0212 -3.9948 -3.9948 -3.9671 -3.9671 -3.9604 -3.9604 -1.5485 -1.5485 -1.4839 -1.4839 -1.4761 -1.4761 -1.4371 -1.4371 -1.4177 -1.4177 -1.3839 -1.3839 3.0548 3.0548 6.1081 6.1081 8.5787 8.5787 9.1716 9.1716 9.1957 9.1957 9.8707 9.8707 10.2171 10.2171 10.5019 10.5019 10.9093 10.9093 11.8364 11.8364 12.2161 12.2161 12.7809 12.7809 13.0708 13.0708 14.5526 14.5526 15.3357 15.3357 17.3189 17.3189 18.1111 18.1111 18.7814 18.7814 20.0209 20.0209 k = 0.1200 0.2078-0.0000 ( 3131 PWs) bands (ev): -4.0225 -4.0225 -3.9967 -3.9967 -3.9659 -3.9659 -3.9595 -3.9595 -1.5508 -1.5508 -1.4838 -1.4838 -1.4771 -1.4771 -1.4372 -1.4372 -1.4193 -1.4193 -1.3827 -1.3827 2.9962 2.9962 6.1542 6.1542 8.5941 8.5941 9.1090 9.1090 9.1912 9.1912 9.8732 9.8732 10.1616 10.1616 10.4892 10.4892 10.9337 10.9337 11.8409 11.8409 12.2393 12.2393 12.8106 12.8106 13.1755 13.1755 14.6767 14.6767 15.3818 15.3818 17.3300 17.3300 18.1934 18.1934 18.8393 18.8393 20.1460 20.1460 k = 0.1133 0.1963-0.0000 ( 3127 PWs) bands (ev): -4.0238 -4.0238 -3.9985 -3.9985 -3.9648 -3.9648 -3.9587 -3.9587 -1.5531 -1.5531 -1.4838 -1.4838 -1.4780 -1.4780 -1.4375 -1.4375 -1.4210 -1.4210 -1.3812 -1.3812 2.9404 2.9404 6.2007 6.2007 8.6079 8.6079 9.0452 9.0452 9.1888 9.1888 9.8624 9.8624 10.1155 10.1155 10.4815 10.4815 10.9578 10.9578 11.8463 11.8463 12.2568 12.2568 12.8301 12.8301 13.2990 13.2990 14.8027 14.8027 15.4259 15.4259 17.3405 17.3405 18.2752 18.2752 18.8878 18.8878 20.2694 20.2694 k = 0.1067 0.1848-0.0000 ( 3131 PWs) bands (ev): -4.0251 -4.0251 -4.0003 -4.0003 -3.9637 -3.9637 -3.9579 -3.9579 -1.5555 -1.5555 -1.4838 -1.4838 -1.4788 -1.4788 -1.4380 -1.4380 -1.4225 -1.4225 -1.3794 -1.3794 2.8876 2.8876 6.2474 6.2474 8.6201 8.6201 8.9836 8.9836 9.1855 9.1855 9.8333 9.8333 10.0857 10.0857 10.4775 10.4775 10.9813 10.9813 11.8526 11.8526 12.2704 12.2704 12.8438 12.8438 13.4341 13.4341 14.9299 14.9299 15.4683 15.4683 17.3513 17.3513 18.3559 18.3559 18.9265 18.9265 20.3862 20.3862 k = 0.1000 0.1732-0.0000 ( 3127 PWs) bands (ev): -4.0263 -4.0263 -4.0021 -4.0021 -3.9627 -3.9627 -3.9570 -3.9570 -1.5578 -1.5578 -1.4839 -1.4839 -1.4796 -1.4796 -1.4387 -1.4387 -1.4240 -1.4240 -1.3775 -1.3775 2.8378 2.8378 6.2941 6.2941 8.6310 8.6310 8.9247 8.9247 9.1813 9.1813 9.7868 9.7868 10.0728 10.0728 10.4762 10.4762 11.0037 11.0037 11.8596 11.8596 12.2810 12.2810 12.8542 12.8542 13.5760 13.5760 15.0577 15.0577 15.5097 15.5097 17.3632 17.3632 18.4348 18.4348 18.9555 18.9555 20.4432 20.4432 k = 0.0933 0.1617-0.0000 ( 3121 PWs) bands (ev): -4.0276 -4.0276 -4.0037 -4.0037 -3.9618 -3.9618 -3.9562 -3.9562 -1.5600 -1.5600 -1.4840 -1.4840 -1.4804 -1.4804 -1.4395 -1.4395 -1.4254 -1.4254 -1.3755 -1.3755 2.7910 2.7910 6.3406 6.3406 8.6407 8.6407 8.8687 8.8687 9.1762 9.1762 9.7290 9.7290 10.0712 10.0712 10.4769 10.4769 11.0249 11.0249 11.8674 11.8674 12.2895 12.2895 12.8626 12.8626 13.7211 13.7211 15.1846 15.1846 15.5514 15.5514 17.3771 17.3771 18.5110 18.5110 18.9755 18.9755 20.4544 20.4544 k = 0.0867 0.1501-0.0000 ( 3121 PWs) bands (ev): -4.0287 -4.0287 -4.0053 -4.0053 -3.9609 -3.9609 -3.9553 -3.9553 -1.5623 -1.5623 -1.4841 -1.4841 -1.4811 -1.4811 -1.4404 -1.4404 -1.4267 -1.4267 -1.3733 -1.3733 2.7473 2.7473 6.3866 6.3866 8.6492 8.6492 8.8159 8.8159 9.1705 9.1705 9.6659 9.6659 10.0757 10.0757 10.4791 10.4791 11.0447 11.0447 11.8756 11.8756 12.2965 12.2965 12.8697 12.8697 13.8670 13.8670 15.3076 15.3076 15.5964 15.5964 17.3940 17.3940 18.5835 18.5835 18.9874 18.9874 20.4598 20.4598 k = 0.0800 0.1386-0.0000 ( 3121 PWs) bands (ev): -4.0298 -4.0298 -4.0068 -4.0068 -3.9601 -3.9601 -3.9545 -3.9545 -1.5644 -1.5644 -1.4842 -1.4842 -1.4818 -1.4818 -1.4413 -1.4413 -1.4279 -1.4279 -1.3712 -1.3712 2.7067 2.7067 6.4318 6.4318 8.6567 8.6567 8.7664 8.7664 9.1642 9.1642 9.6014 9.6014 10.0832 10.0832 10.4825 10.4825 11.0631 11.0631 11.8843 11.8843 12.3022 12.3022 12.8760 12.8760 14.0113 14.0113 15.4198 15.4198 15.6517 15.6517 17.4145 17.4145 18.6506 18.6506 18.9932 18.9932 20.4480 20.4480 k = 0.0733 0.1270-0.0000 ( 3119 PWs) bands (ev): -4.0309 -4.0309 -4.0082 -4.0082 -3.9593 -3.9593 -3.9538 -3.9538 -1.5664 -1.5664 -1.4844 -1.4844 -1.4823 -1.4823 -1.4422 -1.4422 -1.4290 -1.4290 -1.3690 -1.3690 2.6692 2.6692 6.4758 6.4758 8.6633 8.6633 8.7204 8.7204 9.1574 9.1574 9.5378 9.5378 10.0918 10.0918 10.4866 10.4866 11.0799 11.0799 11.8933 11.8933 12.3071 12.3071 12.8815 12.8815 14.1517 14.1517 15.5088 15.5088 15.7300 15.7300 17.4393 17.4393 18.7098 18.7098 18.9960 18.9960 20.3790 20.3790 k = 0.0667 0.1155-0.0000 ( 3115 PWs) bands (ev): -4.0319 -4.0319 -4.0095 -4.0095 -3.9587 -3.9587 -3.9530 -3.9530 -1.5683 -1.5683 -1.4848 -1.4848 -1.4827 -1.4827 -1.4432 -1.4432 -1.4299 -1.4299 -1.3670 -1.3670 2.6350 2.6350 6.5183 6.5183 8.6680 8.6680 8.6791 8.6791 9.1504 9.1504 9.4765 9.4765 10.1007 10.1007 10.4912 10.4912 11.0951 11.0951 11.9023 11.9023 12.3112 12.3112 12.8865 12.8865 14.2862 14.2862 15.5687 15.5687 15.8373 15.8373 17.4688 17.4688 18.7564 18.7564 19.0009 19.0009 20.2547 20.2547 k = 0.0600 0.1039-0.0000 ( 3123 PWs) bands (ev): -4.0328 -4.0328 -4.0106 -4.0106 -3.9581 -3.9581 -3.9524 -3.9524 -1.5701 -1.5701 -1.4853 -1.4853 -1.4828 -1.4828 -1.4442 -1.4442 -1.4308 -1.4308 -1.3650 -1.3650 2.6039 2.6039 6.5589 6.5589 8.6384 8.6384 8.6749 8.6749 9.1431 9.1431 9.4187 9.4187 10.1093 10.1093 10.4960 10.4960 11.1088 11.1088 11.9112 11.9112 12.3147 12.3147 12.8911 12.8911 14.4128 14.4128 15.6083 15.6083 15.9650 15.9650 17.5032 17.5032 18.7834 18.7834 19.0151 19.0151 20.1035 20.1035 k = 0.0533 0.0924-0.0000 ( 3123 PWs) bands (ev): -4.0337 -4.0337 -4.0117 -4.0117 -3.9575 -3.9575 -3.9517 -3.9517 -1.5718 -1.5718 -1.4860 -1.4860 -1.4828 -1.4828 -1.4451 -1.4451 -1.4315 -1.4315 -1.3631 -1.3631 2.5760 2.5760 6.5971 6.5971 8.6036 8.6036 8.6792 8.6792 9.1355 9.1355 9.3652 9.3652 10.1175 10.1175 10.5009 10.5009 11.1209 11.1209 11.9197 11.9197 12.3177 12.3177 12.8951 12.8951 14.5296 14.5296 15.6370 15.6370 16.1037 16.1037 17.5423 17.5423 18.7864 18.7864 19.0431 19.0431 19.9371 19.9371 k = 0.0467 0.0808-0.0000 ( 3119 PWs) bands (ev): -4.0345 -4.0345 -4.0126 -4.0126 -3.9570 -3.9570 -3.9512 -3.9512 -1.5732 -1.5732 -1.4866 -1.4866 -1.4827 -1.4827 -1.4460 -1.4460 -1.4322 -1.4322 -1.3615 -1.3615 2.5513 2.5513 6.6325 6.6325 8.5725 8.5725 8.6829 8.6829 9.1276 9.1276 9.3169 9.3169 10.1249 10.1249 10.5056 10.5056 11.1315 11.1315 11.9278 11.9278 12.3202 12.3202 12.8988 12.8988 14.6350 14.6350 15.6592 15.6592 16.2486 16.2486 17.5854 17.5854 18.7675 18.7675 19.0822 19.0822 19.7652 19.7652 k = 0.0400 0.0693-0.0000 ( 3123 PWs) bands (ev): -4.0351 -4.0351 -4.0135 -4.0135 -3.9566 -3.9566 -3.9507 -3.9507 -1.5745 -1.5745 -1.4872 -1.4872 -1.4826 -1.4826 -1.4468 -1.4468 -1.4327 -1.4327 -1.3599 -1.3599 2.5299 2.5299 6.6645 6.6645 8.5454 8.5454 8.6861 8.6861 9.1193 9.1193 9.2749 9.2749 10.1315 10.1315 10.5100 10.5100 11.1405 11.1405 11.9352 11.9352 12.3224 12.3224 12.9020 12.9020 14.7276 14.7276 15.6770 15.6770 16.3966 16.3966 17.6314 17.6314 18.7308 18.7308 19.1266 19.1266 19.5983 19.5983 k = 0.0333 0.0577-0.0000 ( 3123 PWs) bands (ev): -4.0357 -4.0357 -4.0142 -4.0142 -3.9563 -3.9563 -3.9502 -3.9502 -1.5756 -1.5756 -1.4878 -1.4878 -1.4825 -1.4825 -1.4475 -1.4475 -1.4331 -1.4331 -1.3586 -1.3586 2.5118 2.5118 6.6928 6.6928 8.5222 8.5222 8.6887 8.6887 9.1103 9.1103 9.2399 9.2399 10.1372 10.1372 10.5139 10.5139 11.1481 11.1481 11.9418 11.9418 12.3241 12.3241 12.9047 12.9047 14.8066 14.8066 15.6912 15.6912 16.5446 16.5446 17.6784 17.6784 18.6784 18.6784 19.1694 19.1694 19.4490 19.4490 k = 0.0267 0.0462-0.0000 ( 3125 PWs) bands (ev): -4.0362 -4.0362 -4.0148 -4.0148 -3.9560 -3.9560 -3.9499 -3.9499 -1.5766 -1.5766 -1.4883 -1.4883 -1.4824 -1.4824 -1.4481 -1.4481 -1.4334 -1.4334 -1.3575 -1.3575 2.4970 2.4970 6.7167 6.7167 8.5032 8.5032 8.6908 8.6908 9.1008 9.1008 9.2125 9.2125 10.1419 10.1419 10.5172 10.5172 11.1542 11.1542 11.9473 11.9473 12.3256 12.3256 12.9070 12.9070 14.8713 14.8713 15.7024 15.7024 16.6884 16.6884 17.7240 17.7240 18.6113 18.6113 19.1922 19.1922 19.3436 19.3436 k = 0.0200 0.0346-0.0000 ( 3127 PWs) bands (ev): -4.0366 -4.0366 -4.0152 -4.0152 -3.9557 -3.9557 -3.9496 -3.9496 -1.5773 -1.5773 -1.4887 -1.4887 -1.4822 -1.4822 -1.4486 -1.4486 -1.4337 -1.4337 -1.3567 -1.3567 2.4854 2.4854 6.7358 6.7358 8.4883 8.4883 8.6925 8.6925 9.0911 9.0911 9.1927 9.1927 10.1456 10.1456 10.5199 10.5199 11.1590 11.1590 11.9518 11.9518 12.3267 12.3267 12.9088 12.9088 14.9217 14.9217 15.7109 15.7109 16.8213 16.8213 17.7654 17.7654 18.5333 18.5333 19.1522 19.1522 19.3306 19.3306 k = 0.0133 0.0231-0.0000 ( 3127 PWs) bands (ev): -4.0369 -4.0369 -4.0155 -4.0155 -3.9556 -3.9556 -3.9494 -3.9494 -1.5778 -1.5778 -1.4890 -1.4890 -1.4822 -1.4822 -1.4489 -1.4489 -1.4339 -1.4339 -1.3560 -1.3560 2.4772 2.4772 6.7498 6.7498 8.4776 8.4776 8.6936 8.6936 9.0827 9.0827 9.1799 9.1799 10.1483 10.1483 10.5219 10.5219 11.1623 11.1623 11.9551 11.9551 12.3275 12.3275 12.9101 12.9101 14.9575 14.9575 15.7168 15.7168 16.9333 16.9333 17.7992 17.7992 18.4549 18.4549 19.0932 19.0932 19.3670 19.3670 k = 0.0067 0.0115-0.0000 ( 3129 PWs) bands (ev): -4.0370 -4.0370 -4.0157 -4.0157 -3.9555 -3.9555 -3.9492 -3.9492 -1.5781 -1.5781 -1.4892 -1.4892 -1.4821 -1.4821 -1.4491 -1.4491 -1.4340 -1.4340 -1.3557 -1.3557 2.4722 2.4722 6.7583 6.7583 8.4712 8.4712 8.6943 8.6943 9.0768 9.0768 9.1728 9.1728 10.1499 10.1499 10.5231 10.5231 11.1643 11.1643 11.9570 11.9570 12.3280 12.3280 12.9109 12.9109 14.9789 14.9789 15.7203 15.7203 17.0105 17.0105 17.8219 17.8219 18.3945 18.3945 19.0547 19.0547 19.4056 19.4056 k = 0.0000 0.0000 0.0000 ( 3137 PWs) bands (ev): -4.0371 -4.0371 -4.0158 -4.0158 -3.9555 -3.9555 -3.9492 -3.9492 -1.5782 -1.5782 -1.4892 -1.4892 -1.4821 -1.4821 -1.4492 -1.4492 -1.4340 -1.4340 -1.3555 -1.3555 2.4705 2.4705 6.7612 6.7612 8.4691 8.4691 8.6945 8.6945 9.0747 9.0747 9.1706 9.1706 10.1504 10.1504 10.5235 10.5235 11.1650 11.1650 11.9577 11.9577 12.3281 12.3281 12.9112 12.9112 14.9861 14.9861 15.7215 15.7215 17.0385 17.0385 17.8299 17.8299 18.3713 18.3713 19.0417 19.0417 19.4231 19.4231 k = 0.0000 0.0000 0.0000 ( 3137 PWs) bands (ev): -4.0371 -4.0371 -4.0158 -4.0158 -3.9555 -3.9555 -3.9492 -3.9492 -1.5782 -1.5782 -1.4892 -1.4892 -1.4821 -1.4821 -1.4492 -1.4492 -1.4340 -1.4340 -1.3555 -1.3555 2.4705 2.4705 6.7612 6.7612 8.4691 8.4691 8.6945 8.6945 9.0747 9.0747 9.1706 9.1706 10.1504 10.1504 10.5235 10.5235 11.1650 11.1650 11.9577 11.9577 12.3281 12.3281 12.9112 12.9112 14.9861 14.9861 15.7215 15.7215 17.0385 17.0385 17.8299 17.8299 18.3713 18.3713 19.0417 19.0417 19.4231 19.4231 k = 0.0000 0.0000 0.0134 ( 3131 PWs) bands (ev): -4.0370 -4.0370 -4.0157 -4.0157 -3.9555 -3.9555 -3.9493 -3.9493 -1.5781 -1.5781 -1.4893 -1.4893 -1.4822 -1.4822 -1.4491 -1.4491 -1.4340 -1.4340 -1.3557 -1.3557 2.4722 2.4722 6.7482 6.7482 8.4823 8.4823 8.6968 8.6968 9.0762 9.0762 9.1717 9.1717 10.1510 10.1510 10.5248 10.5248 11.1642 11.1642 11.9549 11.9549 12.3247 12.3247 12.9077 12.9077 14.9911 14.9911 15.7119 15.7119 17.0426 17.0426 17.8382 17.8382 18.3597 18.3597 19.0401 19.0401 19.4299 19.4299 k = 0.0000 0.0000 0.0269 ( 3143 PWs) bands (ev): -4.0368 -4.0368 -4.0156 -4.0156 -3.9556 -3.9556 -3.9495 -3.9495 -1.5776 -1.5776 -1.4895 -1.4895 -1.4825 -1.4825 -1.4488 -1.4488 -1.4338 -1.4338 -1.3562 -1.3562 2.4773 2.4773 6.7105 6.7105 8.5206 8.5206 8.7035 8.7035 9.0808 9.0808 9.1752 9.1752 10.1529 10.1529 10.5286 10.5286 11.1619 11.1619 11.9463 11.9463 12.3145 12.3145 12.8972 12.8972 15.0059 15.0059 15.6835 15.6835 17.0551 17.0551 17.8623 17.8623 18.3257 18.3257 19.0352 19.0352 19.4495 19.4495 k = 0.0000 0.0000 0.0403 ( 3149 PWs) bands (ev): -4.0365 -4.0365 -4.0154 -4.0154 -3.9559 -3.9559 -3.9498 -3.9498 -1.5768 -1.5768 -1.4898 -1.4898 -1.4830 -1.4830 -1.4482 -1.4482 -1.4335 -1.4335 -1.3571 -1.3571 2.4857 2.4857 6.6512 6.6512 8.5808 8.5808 8.7148 8.7148 9.0885 9.0885 9.1809 9.1809 10.1559 10.1559 10.5349 10.5349 11.1580 11.1580 11.9318 11.9318 12.2981 12.2981 12.8799 12.8799 15.0301 15.0301 15.6378 15.6378 17.0757 17.0757 17.9012 17.9012 18.2720 18.2720 19.0271 19.0271 19.4795 19.4795 k = 0.0000 0.0000 0.0537 ( 3137 PWs) bands (ev): -4.0360 -4.0360 -4.0151 -4.0151 -3.9562 -3.9562 -3.9502 -3.9502 -1.5757 -1.5757 -1.4902 -1.4902 -1.4836 -1.4836 -1.4475 -1.4475 -1.4331 -1.4331 -1.3583 -1.3583 2.4974 2.4974 6.5744 6.5744 8.6585 8.6585 8.7305 8.7305 9.0995 9.0995 9.1890 9.1890 10.1601 10.1601 10.5439 10.5439 11.1528 11.1528 11.9113 11.9113 12.2763 12.2763 12.8560 12.8560 15.0630 15.0630 15.5768 15.5768 17.1042 17.1042 17.9528 17.9528 18.2018 18.2018 19.0160 19.0160 19.5171 19.5171 k = 0.0000 0.0000 0.0672 ( 3137 PWs) bands (ev): -4.0354 -4.0354 -4.0147 -4.0147 -3.9566 -3.9566 -3.9507 -3.9507 -1.5744 -1.5744 -1.4907 -1.4907 -1.4844 -1.4844 -1.4466 -1.4466 -1.4326 -1.4326 -1.3598 -1.3598 2.5125 2.5125 6.4841 6.4841 8.7491 8.7491 8.7506 8.7506 9.1140 9.1140 9.1993 9.1993 10.1653 10.1653 10.5555 10.5555 11.1462 11.1462 11.8845 11.8845 12.2500 12.2500 12.8259 12.8259 15.1038 15.1038 15.5028 15.5028 17.1401 17.1401 18.0151 18.0151 18.1183 18.1183 19.0021 19.0021 19.5598 19.5598 k = 0.0000 0.0000 0.0806 ( 3149 PWs) bands (ev): -4.0347 -4.0347 -4.0142 -4.0142 -3.9571 -3.9571 -3.9514 -3.9514 -1.5727 -1.5727 -1.4913 -1.4913 -1.4853 -1.4853 -1.4456 -1.4456 -1.4320 -1.4320 -1.3617 -1.3617 2.5309 2.5309 6.3837 6.3837 8.7750 8.7750 8.8482 8.8482 9.1330 9.1330 9.2118 9.2118 10.1714 10.1714 10.5697 10.5697 11.1384 11.1384 11.8513 11.8513 12.2204 12.2204 12.7901 12.7901 15.1515 15.1515 15.4182 15.4182 17.1831 17.1831 18.0244 18.0244 18.0858 18.0858 18.9856 18.9856 19.6055 19.6055 k = 0.0000 0.0000 0.0940 ( 3155 PWs) bands (ev): -4.0338 -4.0338 -4.0137 -4.0137 -3.9577 -3.9577 -3.9522 -3.9522 -1.5707 -1.5707 -1.4920 -1.4920 -1.4862 -1.4862 -1.4444 -1.4444 -1.4313 -1.4313 -1.3639 -1.3639 2.5527 2.5527 6.2760 6.2760 8.8038 8.8038 8.9506 8.9506 9.1582 9.1582 9.2265 9.2265 10.1784 10.1784 10.5868 10.5868 11.1297 11.1297 11.8115 11.8115 12.1883 12.1883 12.7489 12.7489 15.2049 15.2049 15.3253 15.3253 17.2327 17.2327 17.9225 17.9225 18.1627 18.1627 18.9672 18.9672 19.6528 19.6528 k = 0.0000 0.0000 0.1074 ( 3155 PWs) bands (ev): -4.0329 -4.0329 -4.0131 -4.0131 -3.9583 -3.9583 -3.9531 -3.9531 -1.5684 -1.5684 -1.4927 -1.4927 -1.4873 -1.4873 -1.4432 -1.4432 -1.4306 -1.4306 -1.3664 -1.3664 2.5777 2.5777 6.1632 6.1632 8.8368 8.8368 9.0479 9.0479 9.1955 9.1955 9.2434 9.2434 10.1859 10.1859 10.6067 10.6067 11.1202 11.1202 11.7654 11.7654 12.1546 12.1546 12.7029 12.7029 15.2263 15.2263 15.2627 15.2627 17.2883 17.2883 17.8147 17.8147 18.2435 18.2435 18.9479 18.9479 19.6445 19.6445 k = 0.0000 0.0000 0.1209 ( 3143 PWs) bands (ev): -4.0318 -4.0318 -4.0124 -4.0124 -3.9591 -3.9591 -3.9541 -3.9541 -1.5658 -1.5658 -1.4935 -1.4935 -1.4884 -1.4884 -1.4419 -1.4419 -1.4299 -1.4299 -1.3692 -1.3692 2.6061 2.6061 6.0468 6.0468 8.8739 8.8739 9.1243 9.1243 9.2587 9.2587 9.2624 9.2624 10.1938 10.1938 10.6296 10.6296 11.1102 11.1102 11.7133 11.7133 12.1199 12.1199 12.6527 12.6527 15.1231 15.1231 15.3236 15.3236 17.3493 17.3493 17.7029 17.7029 18.3255 18.3255 18.9292 18.9292 19.6349 19.6349 k = 0.0000 0.0000 0.1343 ( 3143 PWs) bands (ev): -4.0305 -4.0305 -4.0116 -4.0116 -3.9599 -3.9599 -3.9552 -3.9552 -1.5630 -1.5630 -1.4944 -1.4944 -1.4895 -1.4895 -1.4406 -1.4406 -1.4291 -1.4291 -1.3723 -1.3723 2.6377 2.6377 5.9280 5.9280 8.9150 8.9150 9.1744 9.1744 9.2834 9.2834 9.3510 9.3510 10.2018 10.2018 10.6557 10.6557 11.1001 11.1001 11.6556 11.6556 12.0846 12.0846 12.5987 12.5987 15.0175 15.0175 15.3861 15.3861 17.4152 17.4152 17.5890 17.5890 18.4045 18.4045 18.9143 18.9143 19.6238 19.6238 k = 0.0000 0.0000 0.1477 ( 3143 PWs) bands (ev): -4.0292 -4.0292 -4.0107 -4.0107 -3.9608 -3.9608 -3.9564 -3.9564 -1.5599 -1.5599 -1.4952 -1.4952 -1.4906 -1.4906 -1.4392 -1.4392 -1.4282 -1.4282 -1.3757 -1.3757 2.6727 2.6727 5.8079 5.8079 8.9600 8.9600 9.2129 9.2129 9.3064 9.3064 9.4563 9.4563 10.2096 10.2096 10.6850 10.6850 11.0901 11.0901 11.5931 11.5931 12.0488 12.0488 12.5414 12.5414 14.9111 14.9111 15.4485 15.4485 17.4749 17.4749 17.4855 17.4855 18.4743 18.4743 18.9091 18.9091 19.6111 19.6111 k = 0.0000 0.0000 0.1612 ( 3137 PWs) bands (ev): -4.0278 -4.0278 -4.0098 -4.0098 -3.9617 -3.9617 -3.9578 -3.9578 -1.5565 -1.5565 -1.4961 -1.4961 -1.4917 -1.4917 -1.4378 -1.4378 -1.4274 -1.4274 -1.3793 -1.3793 2.7108 2.7108 5.6872 5.6872 9.0087 9.0087 9.2488 9.2488 9.3314 9.3314 9.5639 9.5639 10.2168 10.2168 10.7177 10.7177 11.0808 11.0808 11.5265 11.5265 12.0126 12.0126 12.4814 12.4814 14.8056 14.8056 15.5085 15.5085 17.3629 17.3629 17.5595 17.5595 18.5251 18.5251 18.9228 18.9228 19.5966 19.5966 k = 0.0000 0.0000 0.1746 ( 3125 PWs) bands (ev): -4.0262 -4.0262 -4.0088 -4.0088 -3.9628 -3.9628 -3.9592 -3.9592 -1.5528 -1.5528 -1.4969 -1.4969 -1.4929 -1.4929 -1.4365 -1.4365 -1.4266 -1.4266 -1.3833 -1.3833 2.7522 2.7522 5.5663 5.5663 9.0609 9.0609 9.2851 9.2851 9.3582 9.3582 9.6694 9.6694 10.2229 10.2229 10.7539 10.7539 11.0727 11.0727 11.4564 11.4564 11.9759 11.9759 12.4192 12.4192 14.7026 14.7026 15.5636 15.5636 17.2556 17.2556 17.6368 17.6368 18.5479 18.5479 18.9642 18.9642 19.5803 19.5803 k = 0.0000 0.0000 0.1880 ( 3125 PWs) bands (ev): -4.0246 -4.0246 -4.0077 -4.0077 -3.9639 -3.9639 -3.9607 -3.9607 -1.5490 -1.5490 -1.4977 -1.4977 -1.4939 -1.4939 -1.4351 -1.4351 -1.4258 -1.4258 -1.3874 -1.3874 2.7969 2.7969 5.4458 5.4458 9.1165 9.1165 9.3227 9.3227 9.3867 9.3867 9.7702 9.7702 10.2276 10.2276 10.7935 10.7935 11.0663 11.0663 11.3836 11.3836 11.9389 11.9389 12.3551 12.3551 14.6038 14.6038 15.6106 15.6106 17.1565 17.1565 17.7167 17.7167 18.5429 18.5429 19.0329 19.0329 19.5619 19.5619 k = 0.0000 0.0000 0.2015 ( 3124 PWs) bands (ev): -4.0228 -4.0228 -4.0066 -4.0066 -3.9651 -3.9651 -3.9624 -3.9624 -1.5448 -1.5448 -1.4985 -1.4985 -1.4950 -1.4950 -1.4338 -1.4338 -1.4251 -1.4251 -1.3919 -1.3919 2.8447 2.8447 5.3260 5.3260 9.1751 9.1751 9.3621 9.3621 9.4170 9.4170 9.8647 9.8647 10.2304 10.2304 10.8365 10.8365 11.0621 11.0621 11.3088 11.3088 11.9014 11.9014 12.2897 12.2897 14.5107 14.5107 15.6454 15.6454 17.0696 17.0696 17.7988 17.7988 18.5177 18.5177 19.1212 19.1212 19.5413 19.5413 k = 0.0000 0.0000 0.2149 ( 3136 PWs) bands (ev): -4.0210 -4.0210 -4.0054 -4.0054 -3.9663 -3.9663 -3.9641 -3.9641 -1.5405 -1.5405 -1.4993 -1.4993 -1.4960 -1.4960 -1.4325 -1.4325 -1.4244 -1.4244 -1.3965 -1.3965 2.8957 2.8957 5.2073 5.2073 9.2365 9.2365 9.4035 9.4035 9.4488 9.4488 9.9516 9.9516 10.2306 10.2306 10.8822 10.8822 11.0607 11.0607 11.2324 11.2324 11.8635 11.8635 12.2233 12.2233 14.4251 14.4251 15.6635 15.6635 16.9996 16.9996 17.8826 17.8826 18.4794 18.4794 19.2220 19.2220 19.5183 19.5183 k = 0.0000 0.0000 0.2283 ( 3136 PWs) bands (ev): -4.0191 -4.0191 -4.0041 -4.0041 -3.9676 -3.9676 -3.9659 -3.9659 -1.5359 -1.5359 -1.5001 -1.5001 -1.4970 -1.4970 -1.4312 -1.4312 -1.4237 -1.4237 -1.4014 -1.4014 2.9498 2.9498 5.0898 5.0898 9.3004 9.3004 9.4469 9.4469 9.4821 9.4821 10.0300 10.0300 10.2280 10.2280 10.9302 10.9302 11.0627 11.0627 11.1551 11.1551 11.8253 11.8253 12.1563 12.1563 14.3486 14.3486 15.6605 15.6605 16.9510 16.9510 17.9677 17.9677 18.4324 18.4324 19.3310 19.3310 19.4927 19.4927 k = 0.0000 0.0000 0.2417 ( 3136 PWs) bands (ev): -4.0171 -4.0171 -4.0028 -4.0028 -3.9689 -3.9689 -3.9678 -3.9678 -1.5312 -1.5312 -1.5008 -1.5008 -1.4980 -1.4980 -1.4300 -1.4300 -1.4231 -1.4231 -1.4064 -1.4064 3.0070 3.0070 4.9737 4.9737 9.3662 9.3662 9.4921 9.4921 9.5167 9.5167 10.0994 10.0994 10.2220 10.2220 10.9793 10.9793 11.0686 11.0686 11.0773 11.0773 11.7868 11.7868 12.0891 12.0891 14.2831 14.2831 15.6335 15.6335 16.9267 16.9267 18.0535 18.0535 18.3792 18.3792 19.4459 19.4459 19.4645 19.4645 k = 0.0000 0.0000 0.2552 ( 3136 PWs) bands (ev): -4.0151 -4.0151 -4.0014 -4.0014 -3.9703 -3.9703 -3.9697 -3.9697 -1.5262 -1.5262 -1.5014 -1.5014 -1.4988 -1.4988 -1.4288 -1.4288 -1.4225 -1.4225 -1.4116 -1.4116 3.0673 3.0673 4.8594 4.8594 9.4336 9.4336 9.5392 9.5392 9.5525 9.5525 10.1593 10.1593 10.2125 10.2125 10.9995 10.9995 11.0285 11.0285 11.0786 11.0786 11.7481 11.7481 12.0219 12.0219 14.2302 14.2302 15.5827 15.5827 16.9269 16.9269 18.1396 18.1396 18.3210 18.3210 19.4333 19.4333 19.5656 19.5656 k = 0.0000 0.0000 0.2686 ( 3142 PWs) bands (ev): -4.0130 -4.0130 -4.0000 -4.0000 -3.9718 -3.9718 -3.9717 -3.9717 -1.5211 -1.5211 -1.5020 -1.5020 -1.4997 -1.4997 -1.4277 -1.4277 -1.4220 -1.4220 -1.4170 -1.4170 3.1307 3.1307 4.7468 4.7468 9.5021 9.5021 9.5880 9.5880 9.5894 9.5894 10.1992 10.1992 10.2098 10.2098 10.9221 10.9221 11.0763 11.0763 11.0932 11.0932 11.7095 11.7095 11.9551 11.9551 14.1914 14.1914 15.5107 15.5107 16.9492 16.9492 18.2257 18.2257 18.2586 18.2586 19.3990 19.3990 19.6892 19.6892 k = 0.0000 0.0000 0.2820 ( 3136 PWs) bands (ev): -4.0108 -4.0108 -3.9986 -3.9986 -3.9738 -3.9738 -3.9733 -3.9733 -1.5159 -1.5159 -1.5025 -1.5025 -1.5004 -1.5004 -1.4267 -1.4267 -1.4225 -1.4225 -1.4216 -1.4216 3.1970 3.1970 4.6362 4.6362 9.5708 9.5708 9.6273 9.6273 9.6381 9.6381 10.1823 10.1823 10.2511 10.2511 10.8454 10.8454 11.1122 11.1122 11.1218 11.1218 11.6710 11.6710 11.8890 11.8890 14.1681 14.1681 15.4218 15.4218 16.9894 16.9894 18.1927 18.1927 18.3112 18.3112 19.3615 19.3615 19.8166 19.8166 k = 0.0000 0.0000 0.2955 ( 3136 PWs) bands (ev): -4.0086 -4.0086 -3.9971 -3.9971 -3.9760 -3.9760 -3.9748 -3.9748 -1.5104 -1.5104 -1.5029 -1.5029 -1.5011 -1.5011 -1.4281 -1.4281 -1.4257 -1.4257 -1.4212 -1.4212 3.2664 3.2664 4.5276 4.5276 9.6389 9.6389 9.6659 9.6659 9.6892 9.6892 10.1617 10.1617 10.2833 10.2833 10.7702 10.7702 11.1359 11.1359 11.1641 11.1641 11.6328 11.6328 11.8237 11.8237 14.1610 14.1610 15.3207 15.3207 17.0434 17.0434 18.1237 18.1237 18.3959 18.3959 19.3206 19.3206 19.9473 19.9473 k = 0.0000 0.0000 0.3089 ( 3124 PWs) bands (ev): -4.0063 -4.0063 -3.9956 -3.9956 -3.9782 -3.9782 -3.9763 -3.9763 -1.5049 -1.5049 -1.5033 -1.5033 -1.5017 -1.5017 -1.4339 -1.4339 -1.4248 -1.4248 -1.4210 -1.4210 3.3387 3.3387 4.4212 4.4212 9.7051 9.7051 9.7055 9.7055 9.7408 9.7408 10.1377 10.1377 10.3068 10.3068 10.6968 10.6968 11.1639 11.1639 11.2028 11.2028 11.5952 11.5952 11.7597 11.7597 14.1708 14.1708 15.2115 15.2115 17.1073 17.1073 18.0518 18.0518 18.4793 18.4793 19.2762 19.2762 20.0814 20.0814 k = 0.0000 0.0000 0.3223 ( 3130 PWs) bands (ev): -4.0040 -4.0040 -3.9940 -3.9940 -3.9804 -3.9804 -3.9779 -3.9779 -1.5036 -1.5036 -1.5023 -1.5023 -1.4992 -1.4992 -1.4397 -1.4397 -1.4240 -1.4240 -1.4208 -1.4208 3.4140 3.4140 4.3170 4.3170 9.7447 9.7447 9.7692 9.7692 9.7921 9.7921 10.1107 10.1107 10.3223 10.3223 10.6260 10.6260 11.1962 11.1962 11.2381 11.2381 11.5583 11.5583 11.6970 11.6970 14.1972 14.1972 15.0977 15.0977 17.1783 17.1783 17.9774 17.9774 18.5610 18.5610 19.2283 19.2283 20.2186 20.2186 k = 0.0000 0.0000 0.3358 ( 3130 PWs) bands (ev): -4.0016 -4.0016 -3.9925 -3.9925 -3.9827 -3.9827 -3.9795 -3.9795 -1.5038 -1.5038 -1.5028 -1.5028 -1.4934 -1.4934 -1.4456 -1.4456 -1.4233 -1.4233 -1.4207 -1.4207 3.4921 3.4921 4.2152 4.2152 9.7845 9.7845 9.8283 9.8283 9.8417 9.8417 10.0809 10.0809 10.3312 10.3312 10.5588 10.5588 11.2325 11.2325 11.2706 11.2706 11.5223 11.5223 11.6360 11.6360 14.2398 14.2398 14.9820 14.9820 17.2541 17.2541 17.9008 17.9008 18.6409 18.6409 19.1767 19.1767 20.3587 20.3587 k = 0.0000 0.0000 0.3492 ( 3136 PWs) bands (ev): -3.9993 -3.9993 -3.9909 -3.9909 -3.9850 -3.9850 -3.9811 -3.9811 -1.5040 -1.5040 -1.5032 -1.5032 -1.4876 -1.4876 -1.4516 -1.4516 -1.4226 -1.4226 -1.4207 -1.4207 3.5730 3.5730 4.1157 4.1157 9.8243 9.8243 9.8805 9.8805 9.8874 9.8874 10.0487 10.0487 10.3354 10.3354 10.4966 10.4966 11.2725 11.2725 11.3013 11.3013 11.4875 11.4875 11.5768 11.5768 14.2973 14.2973 14.8668 14.8668 17.3332 17.3332 17.8223 17.8223 18.7184 18.7184 19.1215 19.1215 20.5053 20.5054 k = 0.0000 0.0000 0.3626 ( 3142 PWs) bands (ev): -3.9969 -3.9969 -3.9892 -3.9892 -3.9874 -3.9874 -3.9827 -3.9827 -1.5041 -1.5041 -1.5035 -1.5035 -1.4816 -1.4816 -1.4576 -1.4576 -1.4221 -1.4221 -1.4208 -1.4208 3.6568 3.6568 4.0187 4.0187 9.8639 9.8639 9.9227 9.9227 9.9258 9.9258 10.0145 10.0145 10.3388 10.3388 10.4417 10.4417 11.3160 11.3160 11.3309 11.3309 11.4539 11.4539 11.5196 11.5196 14.3684 14.3684 14.7543 14.7543 17.4143 17.4143 17.7422 17.7422 18.7933 18.7933 19.0627 19.0627 20.5531 20.5531 k = 0.0000 0.0000 0.3760 ( 3142 PWs) bands (ev): -3.9945 -3.9945 -3.9897 -3.9897 -3.9876 -3.9876 -3.9844 -3.9844 -1.5040 -1.5040 -1.5038 -1.5038 -1.4757 -1.4757 -1.4636 -1.4636 -1.4216 -1.4216 -1.4210 -1.4210 3.7433 3.7433 3.9243 3.9243 9.9030 9.9030 9.9510 9.9510 9.9522 9.9522 9.9785 9.9785 10.3468 10.3468 10.3968 10.3968 11.3604 11.3604 11.3627 11.3627 11.4215 11.4215 11.4647 11.4647 14.4515 14.4515 14.6463 14.6463 17.4964 17.4964 17.6609 17.6609 18.8655 18.8655 19.0003 19.0003 20.6012 20.6012 k = 0.0000 0.0000 0.3895 ( 3154 PWs) bands (ev): -3.9921 -3.9921 -3.9921 -3.9921 -3.9860 -3.9860 -3.9860 -3.9860 -1.5040 -1.5040 -1.5040 -1.5040 -1.4697 -1.4697 -1.4697 -1.4697 -1.4213 -1.4213 -1.4213 -1.4213 3.8325 3.8325 3.8325 3.8325 9.9413 9.9413 9.9413 9.9413 9.9614 9.9614 9.9614 9.9614 10.3650 10.3650 10.3650 10.3650 11.3905 11.3905 11.3905 11.3905 11.4123 11.4123 11.4123 11.4123 14.5447 14.5447 14.5447 14.5447 17.5788 17.5788 17.5788 17.5788 18.9345 18.9345 18.9345 18.9345 20.6488 20.6488 k = 0.0000 0.0000 0.3895 ( 3154 PWs) bands (ev): -3.9921 -3.9921 -3.9921 -3.9921 -3.9860 -3.9860 -3.9860 -3.9860 -1.5040 -1.5040 -1.5040 -1.5040 -1.4697 -1.4697 -1.4697 -1.4697 -1.4213 -1.4213 -1.4213 -1.4213 3.8325 3.8325 3.8325 3.8325 9.9413 9.9413 9.9413 9.9413 9.9614 9.9614 9.9614 9.9614 10.3650 10.3650 10.3650 10.3650 11.3905 11.3905 11.3905 11.3905 11.4123 11.4123 11.4123 11.4123 14.5447 14.5447 14.5447 14.5447 17.5788 17.5788 17.5788 17.5788 18.9345 18.9345 18.9345 18.9345 20.6488 20.6488 k = 0.0116 0.0067 0.3895 ( 3142 PWs) bands (ev): -3.9923 -3.9923 -3.9923 -3.9923 -3.9858 -3.9858 -3.9858 -3.9858 -1.5040 -1.5040 -1.5040 -1.5040 -1.4697 -1.4697 -1.4697 -1.4697 -1.4212 -1.4212 -1.4212 -1.4212 3.8339 3.8339 3.8339 3.8339 9.9357 9.9357 9.9357 9.9357 9.9654 9.9654 9.9654 9.9654 10.3642 10.3642 10.3642 10.3642 11.3861 11.3861 11.3861 11.3861 11.4164 11.4164 11.4164 11.4164 14.5469 14.5469 14.5469 14.5469 17.5708 17.5708 17.5708 17.5708 18.9229 18.9229 18.9229 18.9229 20.6301 20.6301 k = 0.0233 0.0134 0.3895 ( 3142 PWs) bands (ev): -3.9928 -3.9928 -3.9928 -3.9928 -3.9852 -3.9852 -3.9852 -3.9852 -1.5040 -1.5040 -1.5040 -1.5040 -1.4697 -1.4697 -1.4697 -1.4697 -1.4209 -1.4209 -1.4209 -1.4209 3.8381 3.8381 3.8381 3.8381 9.9241 9.9241 9.9241 9.9241 9.9723 9.9723 9.9723 9.9723 10.3621 10.3621 10.3621 10.3621 11.3772 11.3772 11.3772 11.3772 11.4244 11.4244 11.4244 11.4244 14.5533 14.5533 14.5533 14.5533 17.5469 17.5469 17.5469 17.5469 18.8891 18.8891 18.8891 18.8891 20.5815 20.5815 k = 0.0349 0.0201 0.3895 ( 3140 PWs) bands (ev): -3.9934 -3.9934 -3.9934 -3.9934 -3.9844 -3.9844 -3.9844 -3.9844 -1.5041 -1.5041 -1.5041 -1.5041 -1.4697 -1.4697 -1.4697 -1.4697 -1.4205 -1.4205 -1.4205 -1.4205 3.8452 3.8452 3.8452 3.8452 9.9097 9.9097 9.9097 9.9097 9.9789 9.9789 9.9789 9.9789 10.3586 10.3586 10.3586 10.3586 11.3670 11.3670 11.3670 11.3670 11.4332 11.4332 11.4332 11.4332 14.5636 14.5636 14.5636 14.5636 17.5076 17.5076 17.5076 17.5076 18.8356 18.8356 18.8356 18.8356 20.5164 20.5164 k = 0.0465 0.0269 0.3895 ( 3142 PWs) bands (ev): -3.9942 -3.9942 -3.9942 -3.9942 -3.9835 -3.9835 -3.9835 -3.9835 -1.5042 -1.5042 -1.5042 -1.5042 -1.4697 -1.4697 -1.4697 -1.4697 -1.4200 -1.4200 -1.4200 -1.4200 3.8550 3.8550 3.8550 3.8550 9.8928 9.8928 9.8928 9.8928 9.9846 9.9846 9.9846 9.9846 10.3541 10.3541 10.3541 10.3541 11.3561 11.3561 11.3561 11.3561 11.4420 11.4420 11.4420 11.4420 14.5775 14.5775 14.5775 14.5775 17.4535 17.4535 17.4535 17.4535 18.7660 18.7660 18.7660 18.7660 20.4451 20.4451 k = 0.0581 0.0336 0.3895 ( 3158 PWs) bands (ev): -3.9950 -3.9950 -3.9950 -3.9950 -3.9825 -3.9825 -3.9825 -3.9825 -1.5043 -1.5043 -1.5043 -1.5043 -1.4698 -1.4698 -1.4698 -1.4698 -1.4193 -1.4193 -1.4193 -1.4193 3.8676 3.8676 3.8676 3.8676 9.8735 9.8735 9.8735 9.8735 9.9893 9.9893 9.9893 9.9893 10.3489 10.3489 10.3489 10.3489 11.3450 11.3450 11.3450 11.3450 11.4506 11.4506 11.4506 11.4506 14.5943 14.5943 14.5943 14.5943 17.3858 17.3858 17.3858 17.3858 18.6841 18.6841 18.6841 18.6841 20.3733 20.3733 k = 0.0698 0.0403 0.3895 ( 3152 PWs) bands (ev): -3.9958 -3.9958 -3.9958 -3.9958 -3.9815 -3.9815 -3.9815 -3.9815 -1.5045 -1.5045 -1.5045 -1.5045 -1.4697 -1.4697 -1.4697 -1.4697 -1.4184 -1.4184 -1.4184 -1.4184 3.8830 3.8830 3.8830 3.8830 9.8518 9.8518 9.8518 9.8518 9.9930 9.9930 9.9930 9.9930 10.3433 10.3433 10.3433 10.3433 11.3337 11.3337 11.3337 11.3337 11.4590 11.4590 11.4590 11.4590 14.6134 14.6134 14.6134 14.6134 17.3059 17.3059 17.3059 17.3059 18.5938 18.5938 18.5938 18.5938 20.3041 20.3041 k = 0.0814 0.0470 0.3895 ( 3156 PWs) bands (ev): -3.9966 -3.9966 -3.9966 -3.9966 -3.9804 -3.9804 -3.9804 -3.9804 -1.5047 -1.5047 -1.5047 -1.5047 -1.4697 -1.4697 -1.4697 -1.4697 -1.4175 -1.4175 -1.4175 -1.4175 3.9010 3.9010 3.9010 3.9010 9.8274 9.8274 9.8274 9.8274 9.9956 9.9956 9.9956 9.9956 10.3376 10.3376 10.3376 10.3376 11.3223 11.3223 11.3223 11.3223 11.4671 11.4671 11.4671 11.4671 14.6336 14.6336 14.6336 14.6336 17.2157 17.2157 17.2157 17.2157 18.4982 18.4982 18.4982 18.4982 20.2388 20.2388 k = 0.0930 0.0537 0.3895 ( 3152 PWs) bands (ev): -3.9974 -3.9974 -3.9974 -3.9974 -3.9793 -3.9793 -3.9793 -3.9793 -1.5049 -1.5049 -1.5049 -1.5049 -1.4696 -1.4696 -1.4696 -1.4696 -1.4165 -1.4165 -1.4165 -1.4165 3.9217 3.9217 3.9217 3.9217 9.8004 9.8004 9.8004 9.8004 9.9973 9.9973 9.9973 9.9973 10.3323 10.3323 10.3323 10.3323 11.3109 11.3109 11.3109 11.3109 11.4750 11.4750 11.4750 11.4750 14.6540 14.6540 14.6540 14.6540 17.1172 17.1172 17.1172 17.1172 18.3999 18.3999 18.3999 18.3999 20.1781 20.1781 k = 0.1047 0.0604 0.3895 ( 3144 PWs) bands (ev): -3.9981 -3.9981 -3.9981 -3.9981 -3.9783 -3.9783 -3.9783 -3.9783 -1.5052 -1.5052 -1.5052 -1.5052 -1.4694 -1.4694 -1.4694 -1.4694 -1.4154 -1.4154 -1.4154 -1.4154 3.9450 3.9450 3.9450 3.9450 9.7706 9.7706 9.7706 9.7706 9.9980 9.9980 9.9980 9.9980 10.3275 10.3275 10.3275 10.3275 11.2996 11.2996 11.2996 11.2996 11.4826 11.4826 11.4826 11.4826 14.6728 14.6728 14.6728 14.6728 17.0130 17.0130 17.0130 17.0130 18.3006 18.3006 18.3006 18.3006 20.1223 20.1223 k = 0.1163 0.0671 0.3895 ( 3144 PWs) bands (ev): -3.9987 -3.9987 -3.9987 -3.9987 -3.9772 -3.9772 -3.9772 -3.9772 -1.5055 -1.5055 -1.5055 -1.5055 -1.4692 -1.4692 -1.4692 -1.4692 -1.4142 -1.4142 -1.4142 -1.4142 3.9708 3.9708 3.9708 3.9708 9.7382 9.7382 9.7382 9.7382 9.9980 9.9980 9.9980 9.9980 10.3234 10.3234 10.3234 10.3234 11.2882 11.2882 11.2882 11.2882 11.4900 11.4900 11.4900 11.4900 14.6886 14.6886 14.6886 14.6886 16.9060 16.9060 16.9060 16.9060 18.2018 18.2018 18.2018 18.2018 20.0714 20.0714 k = 0.1279 0.0738 0.3895 ( 3136 PWs) bands (ev): -3.9994 -3.9994 -3.9994 -3.9994 -3.9761 -3.9761 -3.9761 -3.9761 -1.5058 -1.5058 -1.5058 -1.5058 -1.4689 -1.4689 -1.4689 -1.4689 -1.4130 -1.4130 -1.4130 -1.4130 3.9991 3.9991 3.9991 3.9991 9.7031 9.7031 9.7031 9.7031 9.9972 9.9972 9.9972 9.9972 10.3203 10.3203 10.3203 10.3203 11.2770 11.2770 11.2770 11.2770 11.4973 11.4973 11.4973 11.4973 14.6992 14.6992 14.6992 14.6992 16.7993 16.7993 16.7993 16.7993 18.1043 18.1043 18.1043 18.1043 20.0253 20.0253 k = 0.1395 0.0806 0.3895 ( 3128 PWs) bands (ev): -3.9999 -3.9999 -3.9999 -3.9999 -3.9751 -3.9751 -3.9751 -3.9751 -1.5061 -1.5061 -1.5061 -1.5061 -1.4685 -1.4685 -1.4685 -1.4685 -1.4117 -1.4117 -1.4117 -1.4117 4.0297 4.0297 4.0297 4.0297 9.6656 9.6656 9.6656 9.6656 9.9957 9.9957 9.9957 9.9957 10.3183 10.3183 10.3183 10.3183 11.2658 11.2658 11.2658 11.2658 11.5044 11.5044 11.5044 11.5044 14.7024 14.7024 14.7024 14.7024 16.6962 16.6962 16.6962 16.6962 18.0087 18.0087 18.0087 18.0087 19.9841 19.9841 k = 0.1512 0.0873 0.3895 ( 3128 PWs) bands (ev): -4.0005 -4.0005 -4.0005 -4.0005 -3.9741 -3.9741 -3.9741 -3.9741 -1.5064 -1.5064 -1.5064 -1.5064 -1.4680 -1.4680 -1.4680 -1.4680 -1.4104 -1.4104 -1.4104 -1.4104 4.0626 4.0626 4.0626 4.0626 9.6260 9.6260 9.6260 9.6260 9.9938 9.9938 9.9938 9.9938 10.3172 10.3172 10.3172 10.3172 11.2548 11.2548 11.2548 11.2548 11.5114 11.5114 11.5114 11.5114 14.6956 14.6956 14.6956 14.6956 16.6000 16.6000 16.6000 16.6000 17.9153 17.9153 17.9153 17.9153 19.9478 19.9478 k = 0.1628 0.0940 0.3895 ( 3128 PWs) bands (ev): -4.0009 -4.0009 -4.0009 -4.0009 -3.9731 -3.9731 -3.9731 -3.9731 -1.5068 -1.5068 -1.5068 -1.5068 -1.4675 -1.4675 -1.4675 -1.4675 -1.4091 -1.4091 -1.4091 -1.4091 4.0976 4.0976 4.0976 4.0976 9.5844 9.5844 9.5844 9.5844 9.9913 9.9913 9.9913 9.9913 10.3171 10.3171 10.3171 10.3171 11.2438 11.2438 11.2438 11.2438 11.5184 11.5184 11.5184 11.5184 14.6765 14.6765 14.6765 14.6765 16.5140 16.5140 16.5140 16.5140 17.8245 17.8245 17.8245 17.8245 19.9162 19.9162 k = 0.1744 0.1007 0.3895 ( 3128 PWs) bands (ev): -4.0013 -4.0013 -4.0013 -4.0013 -3.9721 -3.9721 -3.9721 -3.9721 -1.5071 -1.5071 -1.5071 -1.5071 -1.4670 -1.4670 -1.4670 -1.4670 -1.4077 -1.4077 -1.4077 -1.4077 4.1347 4.1347 4.1347 4.1347 9.5413 9.5413 9.5413 9.5413 9.9885 9.9885 9.9885 9.9885 10.3180 10.3180 10.3180 10.3180 11.2330 11.2330 11.2330 11.2330 11.5253 11.5253 11.5253 11.5253 14.6429 14.6429 14.6429 14.6429 16.4407 16.4407 16.4407 16.4407 17.7366 17.7366 17.7366 17.7366 19.8894 19.8894 k = 0.1860 0.1074 0.3895 ( 3128 PWs) bands (ev): -4.0017 -4.0017 -4.0017 -4.0017 -3.9712 -3.9712 -3.9712 -3.9712 -1.5074 -1.5074 -1.5074 -1.5074 -1.4664 -1.4664 -1.4664 -1.4664 -1.4064 -1.4064 -1.4064 -1.4064 4.1738 4.1738 4.1738 4.1738 9.4968 9.4968 9.4968 9.4968 9.9854 9.9854 9.9854 9.9854 10.3197 10.3197 10.3197 10.3197 11.2222 11.2222 11.2222 11.2222 11.5323 11.5323 11.5323 11.5323 14.5934 14.5934 14.5934 14.5934 16.3820 16.3820 16.3820 16.3820 17.6517 17.6517 17.6517 17.6517 19.8673 19.8673 k = 0.1977 0.1141 0.3895 ( 3122 PWs) bands (ev): -4.0019 -4.0019 -4.0019 -4.0019 -3.9703 -3.9703 -3.9703 -3.9703 -1.5076 -1.5076 -1.5076 -1.5076 -1.4657 -1.4657 -1.4657 -1.4657 -1.4050 -1.4050 -1.4050 -1.4050 4.2146 4.2146 4.2146 4.2146 9.4514 9.4514 9.4514 9.4514 9.9822 9.9822 9.9822 9.9822 10.3221 10.3221 10.3221 10.3221 11.2115 11.2115 11.2115 11.2115 11.5394 11.5394 11.5394 11.5394 14.5279 14.5279 14.5279 14.5279 16.3384 16.3384 16.3384 16.3384 17.5702 17.5702 17.5702 17.5702 19.8499 19.8499 k = 0.2093 0.1208 0.3895 ( 3122 PWs) bands (ev): -4.0022 -4.0022 -4.0022 -4.0022 -3.9695 -3.9695 -3.9695 -3.9695 -1.5079 -1.5079 -1.5079 -1.5079 -1.4651 -1.4651 -1.4651 -1.4651 -1.4037 -1.4037 -1.4037 -1.4037 4.2571 4.2571 4.2571 4.2571 9.4053 9.4053 9.4053 9.4053 9.9787 9.9787 9.9787 9.9787 10.3252 10.3252 10.3252 10.3252 11.2009 11.2009 11.2009 11.2009 11.5466 11.5466 11.5466 11.5466 14.4471 14.4471 14.4471 14.4471 16.3090 16.3090 16.3090 16.3090 17.4925 17.4925 17.4925 17.4925 19.8372 19.8372 k = 0.2209 0.1276 0.3895 ( 3120 PWs) bands (ev): -4.0023 -4.0023 -4.0023 -4.0023 -3.9687 -3.9687 -3.9687 -3.9687 -1.5081 -1.5081 -1.5081 -1.5081 -1.4644 -1.4644 -1.4644 -1.4644 -1.4023 -1.4023 -1.4023 -1.4023 4.3012 4.3012 4.3012 4.3012 9.3589 9.3589 9.3589 9.3589 9.9751 9.9751 9.9751 9.9751 10.3290 10.3290 10.3290 10.3290 11.1904 11.1904 11.1904 11.1904 11.5540 11.5540 11.5540 11.5540 14.3528 14.3528 14.3528 14.3528 16.2922 16.2922 16.2922 16.2922 17.4189 17.4189 17.4189 17.4189 19.8292 19.8292 k = 0.2326 0.1343 0.3895 ( 3120 PWs) bands (ev): -4.0024 -4.0024 -4.0024 -4.0024 -3.9680 -3.9680 -3.9680 -3.9680 -1.5082 -1.5082 -1.5082 -1.5082 -1.4638 -1.4638 -1.4638 -1.4638 -1.4010 -1.4010 -1.4010 -1.4010 4.3465 4.3465 4.3465 4.3465 9.3123 9.3123 9.3123 9.3123 9.9715 9.9715 9.9715 9.9715 10.3333 10.3333 10.3333 10.3333 11.1799 11.1799 11.1799 11.1799 11.5615 11.5615 11.5615 11.5615 14.2473 14.2473 14.2473 14.2473 16.2853 16.2853 16.2853 16.2853 17.3500 17.3500 17.3500 17.3500 19.8259 19.8259 k = 0.2442 0.1410 0.3895 ( 3116 PWs) bands (ev): -4.0025 -4.0025 -4.0025 -4.0025 -3.9673 -3.9673 -3.9673 -3.9673 -1.5083 -1.5083 -1.5083 -1.5083 -1.4631 -1.4631 -1.4631 -1.4631 -1.3996 -1.3996 -1.3996 -1.3996 4.3930 4.3930 4.3930 4.3930 9.2660 9.2660 9.2660 9.2660 9.9678 9.9678 9.9678 9.9678 10.3380 10.3380 10.3380 10.3380 11.1694 11.1694 11.1694 11.1694 11.5693 11.5693 11.5693 11.5693 14.1330 14.1330 14.1330 14.1330 16.2856 16.2856 16.2856 16.2856 17.2863 17.2863 17.2863 17.2863 19.8272 19.8272 k = 0.2558 0.1477 0.3895 ( 3116 PWs) bands (ev): -4.0025 -4.0025 -4.0025 -4.0025 -3.9666 -3.9666 -3.9666 -3.9666 -1.5083 -1.5083 -1.5083 -1.5083 -1.4625 -1.4625 -1.4625 -1.4625 -1.3983 -1.3983 -1.3983 -1.3983 4.4404 4.4404 4.4404 4.4404 9.2201 9.2201 9.2201 9.2201 9.9642 9.9642 9.9642 9.9642 10.3432 10.3432 10.3432 10.3432 11.1588 11.1588 11.1588 11.1588 11.5773 11.5773 11.5773 11.5773 14.0125 14.0125 14.0125 14.0125 16.2902 16.2902 16.2902 16.2902 17.2286 17.2286 17.2286 17.2286 19.8331 19.8331 k = 0.2674 0.1544 0.3895 ( 3132 PWs) bands (ev): -4.0024 -4.0024 -4.0024 -4.0024 -3.9660 -3.9660 -3.9660 -3.9660 -1.5083 -1.5083 -1.5083 -1.5083 -1.4619 -1.4619 -1.4619 -1.4619 -1.3970 -1.3970 -1.3970 -1.3970 4.4886 4.4886 4.4886 4.4886 9.1749 9.1749 9.1749 9.1749 9.9605 9.9605 9.9605 9.9605 10.3487 10.3487 10.3487 10.3487 11.1482 11.1482 11.1482 11.1482 11.5856 11.5856 11.5856 11.5856 13.8878 13.8878 13.8878 13.8878 16.2963 16.2963 16.2963 16.2963 17.1776 17.1776 17.1776 17.1776 19.8435 19.8435 k = 0.2791 0.1611 0.3895 ( 3130 PWs) bands (ev): -4.0023 -4.0023 -4.0023 -4.0023 -3.9655 -3.9655 -3.9655 -3.9655 -1.5082 -1.5082 -1.5082 -1.5082 -1.4614 -1.4614 -1.4614 -1.4614 -1.3957 -1.3957 -1.3957 -1.3957 4.5372 4.5372 4.5372 4.5372 9.1306 9.1306 9.1306 9.1306 9.9569 9.9569 9.9569 9.9569 10.3546 10.3546 10.3546 10.3546 11.1376 11.1376 11.1376 11.1376 11.5943 11.5943 11.5943 11.5943 13.7608 13.7608 13.7608 13.7608 16.3017 16.3017 16.3017 16.3017 17.1340 17.1340 17.1340 17.1340 19.8583 19.8583 k = 0.2907 0.1678 0.3895 ( 3130 PWs) bands (ev): -4.0021 -4.0021 -4.0021 -4.0021 -3.9650 -3.9650 -3.9650 -3.9650 -1.5081 -1.5081 -1.5081 -1.5081 -1.4609 -1.4609 -1.4609 -1.4609 -1.3945 -1.3945 -1.3945 -1.3945 4.5862 4.5862 4.5862 4.5862 9.0874 9.0874 9.0874 9.0874 9.9534 9.9534 9.9534 9.9534 10.3609 10.3609 10.3609 10.3609 11.1268 11.1268 11.1268 11.1268 11.6033 11.6033 11.6033 11.6033 13.6331 13.6331 13.6331 13.6331 16.3042 16.3042 16.3042 16.3042 17.0987 17.0987 17.0987 17.0987 19.8774 19.8774 k = 0.3023 0.1745 0.3895 ( 3130 PWs) bands (ev): -4.0019 -4.0019 -4.0019 -4.0019 -3.9646 -3.9646 -3.9646 -3.9646 -1.5079 -1.5079 -1.5079 -1.5079 -1.4604 -1.4604 -1.4604 -1.4604 -1.3932 -1.3932 -1.3932 -1.3932 4.6351 4.6351 4.6351 4.6351 9.0455 9.0455 9.0455 9.0455 9.9499 9.9499 9.9499 9.9499 10.3674 10.3674 10.3674 10.3674 11.1159 11.1159 11.1159 11.1159 11.6127 11.6127 11.6127 11.6127 13.5059 13.5059 13.5059 13.5059 16.3024 16.3024 16.3024 16.3024 17.0718 17.0718 17.0718 17.0718 19.9006 19.9006 k = 0.3140 0.1813 0.3895 ( 3130 PWs) bands (ev): -4.0017 -4.0017 -4.0017 -4.0017 -3.9642 -3.9642 -3.9642 -3.9642 -1.5076 -1.5076 -1.5076 -1.5076 -1.4600 -1.4600 -1.4600 -1.4600 -1.3920 -1.3920 -1.3920 -1.3920 4.6838 4.6838 4.6838 4.6838 9.0050 9.0050 9.0050 9.0050 9.9466 9.9466 9.9466 9.9466 10.3743 10.3743 10.3743 10.3743 11.1048 11.1048 11.1048 11.1048 11.6226 11.6226 11.6226 11.6226 13.3804 13.3804 13.3804 13.3804 16.2956 16.2956 16.2956 16.2956 17.0535 17.0535 17.0535 17.0535 19.9276 19.9276 k = 0.3256 0.1880 0.3895 ( 3130 PWs) bands (ev): -4.0014 -4.0014 -4.0014 -4.0014 -3.9638 -3.9638 -3.9638 -3.9638 -1.5073 -1.5073 -1.5073 -1.5073 -1.4597 -1.4597 -1.4597 -1.4597 -1.3908 -1.3908 -1.3908 -1.3908 4.7319 4.7319 4.7319 4.7319 8.9662 8.9662 8.9662 8.9662 9.9433 9.9433 9.9433 9.9433 10.3814 10.3814 10.3814 10.3814 11.0935 11.0935 11.0935 11.0935 11.6329 11.6329 11.6329 11.6329 13.2576 13.2576 13.2576 13.2576 16.2836 16.2836 16.2836 16.2836 17.0430 17.0430 17.0430 17.0430 19.9581 19.9581 k = 0.3372 0.1947 0.3895 ( 3126 PWs) bands (ev): -4.0011 -4.0011 -4.0011 -4.0011 -3.9636 -3.9636 -3.9636 -3.9636 -1.5070 -1.5070 -1.5070 -1.5070 -1.4594 -1.4594 -1.4594 -1.4594 -1.3897 -1.3897 -1.3897 -1.3897 4.7791 4.7791 4.7791 4.7791 8.9292 8.9292 8.9292 8.9292 9.9401 9.9401 9.9401 9.9401 10.3889 10.3889 10.3889 10.3889 11.0819 11.0819 11.0819 11.0819 11.6438 11.6438 11.6438 11.6438 13.1382 13.1382 13.1382 13.1382 16.2670 16.2670 16.2670 16.2670 17.0394 17.0394 17.0394 17.0394 19.9918 19.9918 k = 0.3488 0.2014 0.3895 ( 3136 PWs) bands (ev): -4.0008 -4.0008 -4.0008 -4.0008 -3.9633 -3.9633 -3.9633 -3.9633 -1.5066 -1.5066 -1.5066 -1.5066 -1.4592 -1.4592 -1.4592 -1.4592 -1.3886 -1.3886 -1.3886 -1.3886 4.8252 4.8252 4.8252 4.8252 8.8940 8.8940 8.8940 8.8940 9.9371 9.9371 9.9371 9.9371 10.3966 10.3966 10.3966 10.3966 11.0702 11.0702 11.0702 11.0702 11.6552 11.6552 11.6552 11.6552 13.0230 13.0230 13.0230 13.0230 16.2466 16.2466 16.2466 16.2466 17.0414 17.0414 17.0414 17.0414 20.0283 20.0283 k = 0.3605 0.2081 0.3895 ( 3144 PWs) bands (ev): -4.0005 -4.0005 -4.0005 -4.0005 -3.9631 -3.9631 -3.9631 -3.9631 -1.5062 -1.5062 -1.5062 -1.5062 -1.4590 -1.4590 -1.4590 -1.4590 -1.3876 -1.3876 -1.3876 -1.3876 4.8697 4.8697 4.8697 4.8697 8.8609 8.8609 8.8609 8.8609 9.9342 9.9342 9.9342 9.9342 10.4046 10.4046 10.4046 10.4046 11.0582 11.0582 11.0582 11.0582 11.6672 11.6672 11.6672 11.6672 12.9126 12.9126 12.9126 12.9126 16.2236 16.2236 16.2236 16.2236 17.0475 17.0475 17.0475 17.0475 20.0668 20.0668 k = 0.3721 0.2148 0.3895 ( 3144 PWs) bands (ev): -4.0002 -4.0002 -4.0002 -4.0002 -3.9629 -3.9629 -3.9629 -3.9629 -1.5058 -1.5058 -1.5058 -1.5058 -1.4589 -1.4589 -1.4589 -1.4589 -1.3866 -1.3866 -1.3866 -1.3866 4.9125 4.9125 4.9125 4.9125 8.8300 8.8300 8.8300 8.8300 9.9314 9.9314 9.9314 9.9314 10.4127 10.4127 10.4127 10.4127 11.0460 11.0460 11.0460 11.0460 11.6799 11.6799 11.6799 11.6799 12.8075 12.8075 12.8075 12.8075 16.1991 16.1991 16.1991 16.1991 17.0565 17.0565 17.0565 17.0565 20.1070 20.1070 k = 0.3837 0.2215 0.3895 ( 3154 PWs) bands (ev): -3.9998 -3.9998 -3.9998 -3.9998 -3.9628 -3.9628 -3.9628 -3.9628 -1.5054 -1.5054 -1.5054 -1.5054 -1.4589 -1.4589 -1.4589 -1.4589 -1.3856 -1.3856 -1.3856 -1.3856 4.9530 4.9530 4.9530 4.9530 8.8014 8.8014 8.8014 8.8014 9.9288 9.9288 9.9288 9.9288 10.4211 10.4211 10.4211 10.4211 11.0337 11.0337 11.0337 11.0337 11.6933 11.6933 11.6933 11.6933 12.7082 12.7082 12.7082 12.7082 16.1741 16.1741 16.1741 16.1741 17.0673 17.0673 17.0673 17.0673 20.1481 20.1481 k = 0.3953 0.2283 0.3895 ( 3146 PWs) bands (ev): -3.9995 -3.9995 -3.9995 -3.9995 -3.9627 -3.9627 -3.9627 -3.9627 -1.5049 -1.5049 -1.5049 -1.5049 -1.4589 -1.4589 -1.4589 -1.4589 -1.3848 -1.3848 -1.3848 -1.3848 4.9910 4.9910 4.9910 4.9910 8.7751 8.7751 8.7751 8.7751 9.9264 9.9264 9.9264 9.9264 10.4295 10.4295 10.4295 10.4295 11.0213 11.0213 11.0213 11.0213 11.7075 11.7075 11.7075 11.7075 12.6151 12.6151 12.6151 12.6151 16.1495 16.1495 16.1495 16.1495 17.0788 17.0788 17.0788 17.0788 20.1893 20.1893 k = 0.4070 0.2350 0.3895 ( 3144 PWs) bands (ev): -3.9992 -3.9992 -3.9992 -3.9992 -3.9626 -3.9626 -3.9626 -3.9626 -1.5045 -1.5045 -1.5045 -1.5045 -1.4589 -1.4589 -1.4589 -1.4589 -1.3840 -1.3840 -1.3840 -1.3840 5.0261 5.0261 5.0261 5.0261 8.7514 8.7514 8.7514 8.7514 9.9242 9.9242 9.9242 9.9242 10.4379 10.4379 10.4379 10.4379 11.0091 11.0091 11.0091 11.0091 11.7224 11.7224 11.7224 11.7224 12.5286 12.5286 12.5286 12.5286 16.1261 16.1261 16.1261 16.1261 17.0904 17.0904 17.0904 17.0904 20.2298 20.2298 k = 0.4186 0.2417 0.3895 ( 3146 PWs) bands (ev): -3.9989 -3.9989 -3.9989 -3.9989 -3.9626 -3.9626 -3.9626 -3.9626 -1.5041 -1.5041 -1.5041 -1.5041 -1.4589 -1.4589 -1.4589 -1.4589 -1.3833 -1.3833 -1.3833 -1.3833 5.0580 5.0580 5.0580 5.0580 8.7301 8.7301 8.7301 8.7301 9.9222 9.9222 9.9222 9.9222 10.4461 10.4461 10.4461 10.4461 10.9972 10.9972 10.9972 10.9972 11.7381 11.7381 11.7381 11.7381 12.4491 12.4491 12.4491 12.4491 16.1043 16.1043 16.1043 16.1043 17.1016 17.1016 17.1016 17.1016 20.2687 20.2687 k = 0.4302 0.2484 0.3895 ( 3142 PWs) bands (ev): -3.9986 -3.9986 -3.9986 -3.9986 -3.9626 -3.9626 -3.9626 -3.9626 -1.5037 -1.5037 -1.5037 -1.5037 -1.4590 -1.4590 -1.4590 -1.4590 -1.3827 -1.3827 -1.3827 -1.3827 5.0864 5.0864 5.0864 5.0864 8.7116 8.7116 8.7116 8.7116 9.9204 9.9204 9.9204 9.9204 10.4540 10.4540 10.4540 10.4540 10.9858 10.9858 10.9858 10.9858 11.7545 11.7545 11.7545 11.7545 12.3770 12.3770 12.3770 12.3770 16.0846 16.0846 16.0846 16.0846 17.1119 17.1119 17.1119 17.1119 20.3051 20.3051 k = 0.4419 0.2551 0.3895 ( 3146 PWs) bands (ev): -3.9984 -3.9984 -3.9984 -3.9984 -3.9625 -3.9625 -3.9625 -3.9625 -1.5034 -1.5034 -1.5034 -1.5034 -1.4590 -1.4590 -1.4590 -1.4590 -1.3821 -1.3821 -1.3821 -1.3821 5.1110 5.1110 5.1110 5.1110 8.6957 8.6957 8.6957 8.6957 9.9189 9.9189 9.9189 9.9189 10.4613 10.4613 10.4613 10.4613 10.9753 10.9753 10.9753 10.9753 11.7713 11.7713 11.7713 11.7713 12.3126 12.3126 12.3126 12.3126 16.0675 16.0675 16.0675 16.0675 17.1209 17.1209 17.1209 17.1209 20.3379 20.3379 k = 0.4535 0.2618 0.3895 ( 3146 PWs) bands (ev): -3.9982 -3.9982 -3.9982 -3.9982 -3.9625 -3.9625 -3.9625 -3.9625 -1.5031 -1.5031 -1.5031 -1.5031 -1.4591 -1.4591 -1.4591 -1.4591 -1.3817 -1.3817 -1.3817 -1.3817 5.1315 5.1315 5.1315 5.1315 8.6827 8.6827 8.6827 8.6827 9.9176 9.9176 9.9176 9.9176 10.4678 10.4678 10.4678 10.4678 10.9660 10.9660 10.9660 10.9660 11.7882 11.7882 11.7882 11.7882 12.2566 12.2566 12.2566 12.2566 16.0531 16.0531 16.0531 16.0531 17.1286 17.1286 17.1286 17.1286 20.3664 20.3664 k = 0.4651 0.2685 0.3895 ( 3150 PWs) bands (ev): -3.9980 -3.9980 -3.9980 -3.9980 -3.9625 -3.9625 -3.9625 -3.9625 -1.5028 -1.5028 -1.5028 -1.5028 -1.4592 -1.4592 -1.4592 -1.4592 -1.3813 -1.3813 -1.3813 -1.3813 5.1477 5.1477 5.1477 5.1477 8.6725 8.6725 8.6725 8.6725 9.9166 9.9166 9.9166 9.9166 10.4733 10.4733 10.4733 10.4733 10.9583 10.9583 10.9583 10.9583 11.8042 11.8042 11.8042 11.8042 12.2101 12.2101 12.2101 12.2101 16.0417 16.0417 16.0417 16.0417 17.1347 17.1347 17.1347 17.1347 20.3896 20.3896 k = 0.4767 0.2752 0.3895 ( 3146 PWs) bands (ev): -3.9979 -3.9979 -3.9979 -3.9979 -3.9625 -3.9625 -3.9625 -3.9625 -1.5027 -1.5027 -1.5027 -1.5027 -1.4592 -1.4592 -1.4592 -1.4592 -1.3811 -1.3811 -1.3811 -1.3811 5.1594 5.1594 5.1594 5.1594 8.6652 8.6652 8.6652 8.6652 9.9159 9.9159 9.9159 9.9159 10.4774 10.4774 10.4774 10.4774 10.9525 10.9525 10.9525 10.9525 11.8180 11.8180 11.8180 11.8180 12.1744 12.1744 12.1744 12.1744 16.0335 16.0335 16.0335 16.0335 17.1391 17.1391 17.1391 17.1391 20.4067 20.4067 k = 0.4884 0.2820 0.3895 ( 3152 PWs) bands (ev): -3.9978 -3.9978 -3.9978 -3.9978 -3.9625 -3.9625 -3.9625 -3.9625 -1.5026 -1.5026 -1.5026 -1.5026 -1.4592 -1.4592 -1.4592 -1.4592 -1.3809 -1.3809 -1.3809 -1.3809 5.1664 5.1664 5.1664 5.1664 8.6607 8.6607 8.6607 8.6607 9.9155 9.9155 9.9155 9.9155 10.4799 10.4799 10.4799 10.4799 10.9488 10.9488 10.9488 10.9488 11.8277 11.8277 11.8277 11.8277 12.1516 12.1516 12.1516 12.1516 16.0285 16.0285 16.0285 16.0285 17.1418 17.1418 17.1418 17.1418 20.4172 20.4172 k = 0.5000 0.2887 0.3895 ( 3152 PWs) bands (ev): -3.9978 -3.9978 -3.9978 -3.9978 -3.9625 -3.9625 -3.9625 -3.9625 -1.5025 -1.5025 -1.5025 -1.5025 -1.4592 -1.4592 -1.4592 -1.4592 -1.3809 -1.3809 -1.3809 -1.3809 5.1688 5.1688 5.1688 5.1688 8.6593 8.6593 8.6593 8.6593 9.9153 9.9153 9.9153 9.9153 10.4808 10.4808 10.4808 10.4808 10.9476 10.9476 10.9476 10.9476 11.8312 11.8312 11.8312 11.8312 12.1436 12.1436 12.1436 12.1436 16.0269 16.0269 16.0269 16.0269 17.1427 17.1427 17.1427 17.1427 20.4208 20.4208 k = 0.5000 0.2887 0.3895 ( 3152 PWs) bands (ev): -3.9978 -3.9978 -3.9978 -3.9978 -3.9625 -3.9625 -3.9625 -3.9625 -1.5025 -1.5025 -1.5025 -1.5025 -1.4592 -1.4592 -1.4592 -1.4592 -1.3809 -1.3809 -1.3809 -1.3809 5.1688 5.1688 5.1688 5.1688 8.6593 8.6593 8.6593 8.6593 9.9153 9.9153 9.9153 9.9153 10.4808 10.4808 10.4808 10.4808 10.9476 10.9476 10.9476 10.9476 11.8312 11.8312 11.8312 11.8312 12.1436 12.1436 12.1436 12.1436 16.0269 16.0269 16.0269 16.0269 17.1427 17.1427 17.1427 17.1427 20.4208 20.4208 k = 0.4933 0.3002 0.3895 ( 3148 PWs) bands (ev): -3.9979 -3.9979 -3.9976 -3.9976 -3.9626 -3.9626 -3.9624 -3.9624 -1.5038 -1.5038 -1.5012 -1.5012 -1.4599 -1.4599 -1.4584 -1.4584 -1.3813 -1.3813 -1.3806 -1.3806 5.1669 5.1669 5.1715 5.1715 8.6593 8.6593 8.6622 8.6622 9.9073 9.9073 9.9222 9.9222 10.4727 10.4727 10.4878 10.4878 10.9470 10.9470 10.9475 10.9475 11.8225 11.8225 11.8364 11.8364 12.1415 12.1415 12.1511 12.1511 15.9666 15.9666 16.0230 16.0230 17.1470 17.1470 17.2080 17.2080 20.4216 20.4216 k = 0.4867 0.3118 0.3895 ( 3144 PWs) bands (ev): -3.9980 -3.9980 -3.9974 -3.9974 -3.9628 -3.9628 -3.9623 -3.9623 -1.5050 -1.5050 -1.4997 -1.4997 -1.4605 -1.4605 -1.4575 -1.4575 -1.3818 -1.3818 -1.3805 -1.3805 5.1658 5.1658 5.1750 5.1750 8.6622 8.6622 8.6681 8.6681 9.8980 9.8980 9.9279 9.9279 10.4635 10.4635 10.4938 10.4938 10.9456 10.9456 10.9468 10.9468 11.8106 11.8106 11.8377 11.8377 12.1451 12.1451 12.1632 12.1632 15.8597 15.8597 15.9564 15.9564 17.2198 17.2198 17.3256 17.3256 20.4266 20.4266 k = 0.4800 0.3233 0.3895 ( 3144 PWs) bands (ev): -3.9980 -3.9980 -3.9971 -3.9971 -3.9630 -3.9630 -3.9622 -3.9622 -1.5061 -1.5061 -1.4982 -1.4982 -1.4610 -1.4610 -1.4565 -1.4565 -1.3826 -1.3826 -1.3806 -1.3806 5.1655 5.1655 5.1793 5.1793 8.6681 8.6681 8.6769 8.6769 9.8876 9.8876 9.9323 9.9323 10.4532 10.4532 10.4988 10.4988 10.9434 10.9434 10.9454 10.9454 11.7959 11.7959 11.8354 11.8354 12.1542 12.1542 12.1795 12.1795 15.7257 15.7257 15.8452 15.8452 17.3425 17.3425 17.4758 17.4758 20.4358 20.4358 k = 0.4733 0.3349 0.3895 ( 3144 PWs) bands (ev): -3.9980 -3.9980 -3.9968 -3.9968 -3.9632 -3.9632 -3.9622 -3.9622 -1.5070 -1.5070 -1.4967 -1.4967 -1.4612 -1.4612 -1.4555 -1.4555 -1.3834 -1.3834 -1.3808 -1.3808 5.1661 5.1661 5.1844 5.1844 8.6769 8.6769 8.6886 8.6886 9.8759 9.8759 9.9356 9.9356 10.4419 10.4419 10.5029 10.5029 10.9403 10.9403 10.9435 10.9435 11.7791 11.7791 11.8298 11.8298 12.1685 12.1685 12.1992 12.1992 15.5778 15.5778 15.7085 15.7085 17.4962 17.4962 17.6454 17.6454 20.4495 20.4495 k = 0.4667 0.3464 0.3895 ( 3136 PWs) bands (ev): -3.9980 -3.9980 -3.9965 -3.9965 -3.9634 -3.9634 -3.9621 -3.9621 -1.5079 -1.5079 -1.4952 -1.4952 -1.4614 -1.4614 -1.4543 -1.4543 -1.3844 -1.3844 -1.3811 -1.3811 5.1674 5.1674 5.1902 5.1902 8.6885 8.6885 8.7032 8.7032 9.8631 9.8631 9.9377 9.9377 10.4295 10.4295 10.5063 10.5063 10.9363 10.9363 10.9409 10.9409 11.7604 11.7604 11.8216 11.8216 12.1875 12.1875 12.2219 12.2219 15.4234 15.4234 15.5585 15.5585 17.6685 17.6685 17.8267 17.8267 20.4675 20.4675 k = 0.4600 0.3580 0.3895 ( 3144 PWs) bands (ev): -3.9979 -3.9979 -3.9961 -3.9961 -3.9637 -3.9637 -3.9620 -3.9620 -1.5087 -1.5087 -1.4936 -1.4936 -1.4613 -1.4613 -1.4531 -1.4531 -1.3856 -1.3856 -1.3816 -1.3816 5.1694 5.1694 5.1967 5.1967 8.7029 8.7029 8.7206 8.7206 9.8492 9.8492 9.9385 9.9385 10.4162 10.4162 10.5089 10.5089 10.9312 10.9312 10.9379 10.9379 11.7400 11.7400 11.8114 11.8114 12.2106 12.2106 12.2472 12.2472 15.2671 15.2671 15.4024 15.4024 17.8519 17.8519 18.0150 18.0150 20.4901 20.4902 k = 0.4533 0.3695 0.3895 ( 3140 PWs) bands (ev): -3.9978 -3.9978 -3.9956 -3.9956 -3.9640 -3.9640 -3.9620 -3.9620 -1.5094 -1.5094 -1.4921 -1.4921 -1.4611 -1.4611 -1.4518 -1.4518 -1.3869 -1.3869 -1.3822 -1.3822 5.1722 5.1722 5.2038 5.2038 8.7200 8.7200 8.7408 8.7408 9.8341 9.8341 9.9381 9.9381 10.4020 10.4020 10.5110 10.5110 10.9251 10.9251 10.9343 10.9343 11.7182 11.7182 11.7997 11.7997 12.2373 12.2373 12.2747 12.2747 15.1115 15.1115 15.2443 15.2443 18.0422 18.0422 18.2073 18.2073 20.5174 20.5174 k = 0.4467 0.3811 0.3895 ( 3144 PWs) bands (ev): -3.9977 -3.9977 -3.9951 -3.9951 -3.9643 -3.9643 -3.9619 -3.9619 -1.5099 -1.5099 -1.4907 -1.4907 -1.4606 -1.4606 -1.4505 -1.4505 -1.3883 -1.3883 -1.3829 -1.3829 5.1756 5.1756 5.2114 5.2114 8.7398 8.7398 8.7637 8.7637 9.8178 9.8178 9.9363 9.9363 10.3872 10.3872 10.5127 10.5127 10.9179 10.9179 10.9303 10.9303 11.6950 11.6950 11.7870 11.7870 12.2671 12.2671 12.3040 12.3040 14.9584 14.9584 15.0867 15.0867 18.2365 18.2365 18.4016 18.4016 20.5496 20.5496 k = 0.4400 0.3926 0.3895 ( 3144 PWs) bands (ev): -3.9976 -3.9976 -3.9946 -3.9946 -3.9647 -3.9647 -3.9619 -3.9619 -1.5104 -1.5104 -1.4893 -1.4893 -1.4598 -1.4598 -1.4491 -1.4491 -1.3899 -1.3899 -1.3838 -1.3838 5.1797 5.1797 5.2197 5.2197 8.7621 8.7621 8.7891 8.7891 9.8004 9.8004 9.9331 9.9331 10.3719 10.3719 10.5140 10.5140 10.9095 10.9095 10.9257 10.9257 11.6705 11.6705 11.7736 11.7736 12.2997 12.2997 12.3351 12.3351 14.8089 14.8089 14.9311 14.9311 18.4326 18.4326 18.5959 18.5959 20.5870 20.5870 k = 0.4333 0.4041 0.3895 ( 3140 PWs) bands (ev): -3.9975 -3.9975 -3.9940 -3.9940 -3.9651 -3.9651 -3.9618 -3.9618 -1.5108 -1.5108 -1.4881 -1.4881 -1.4589 -1.4589 -1.4477 -1.4477 -1.3916 -1.3916 -1.3847 -1.3847 5.1844 5.1844 5.2283 5.2283 8.7869 8.7869 8.8171 8.8171 9.7819 9.7819 9.9284 9.9284 10.3562 10.3562 10.5151 10.5151 10.9000 10.9000 10.9207 10.9207 11.6449 11.6449 11.7600 11.7600 12.3348 12.3348 12.3676 12.3676 14.6641 14.6641 14.7788 14.7788 18.6290 18.6290 18.7887 18.7887 20.6299 20.6299 k = 0.4267 0.4157 0.3895 ( 3138 PWs) bands (ev): -3.9974 -3.9974 -3.9933 -3.9933 -3.9655 -3.9655 -3.9618 -3.9618 -1.5110 -1.5110 -1.4870 -1.4870 -1.4576 -1.4576 -1.4462 -1.4462 -1.3934 -1.3934 -1.3857 -1.3857 5.1896 5.1896 5.2373 5.2373 8.8139 8.8139 8.8473 8.8473 9.7624 9.7624 9.9222 9.9222 10.3404 10.3404 10.5160 10.5160 10.8893 10.8893 10.9153 10.9153 11.6182 11.6182 11.7463 11.7463 12.3722 12.3722 12.4014 12.4014 14.5246 14.5246 14.6305 14.6305 18.8240 18.8240 18.9782 18.9782 20.6789 20.6789 k = 0.4200 0.4272 0.3895 ( 3140 PWs) bands (ev): -3.9972 -3.9972 -3.9926 -3.9926 -3.9660 -3.9660 -3.9617 -3.9617 -1.5113 -1.5113 -1.4860 -1.4860 -1.4561 -1.4561 -1.4447 -1.4447 -1.3954 -1.3954 -1.3868 -1.3868 5.1952 5.1952 5.2467 5.2467 8.8432 8.8432 8.8798 8.8798 9.7418 9.7418 9.9142 9.9142 10.3246 10.3246 10.5169 10.5169 10.8774 10.8774 10.9094 10.9094 11.5906 11.5906 11.7327 11.7327 12.4116 12.4116 12.4363 12.4363 14.3911 14.3911 14.4869 14.4869 19.0160 19.0160 19.1628 19.1628 20.7345 20.7346 k = 0.4133 0.4388 0.3895 ( 3140 PWs) bands (ev): -3.9971 -3.9971 -3.9919 -3.9919 -3.9666 -3.9666 -3.9617 -3.9617 -1.5114 -1.5114 -1.4851 -1.4851 -1.4544 -1.4544 -1.4432 -1.4432 -1.3974 -1.3974 -1.3880 -1.3880 5.2012 5.2012 5.2561 5.2561 8.8743 8.8743 8.9142 8.9142 9.7201 9.7201 9.9044 9.9044 10.3092 10.3092 10.5178 10.5178 10.8646 10.8646 10.9031 10.9031 11.5622 11.5622 11.7194 11.7194 12.4529 12.4529 12.4719 12.4719 14.2641 14.2641 14.3485 14.3485 19.2032 19.2032 19.3405 19.3405 20.7977 20.7977 k = 0.4067 0.4503 0.3895 ( 3140 PWs) bands (ev): -3.9969 -3.9969 -3.9911 -3.9911 -3.9671 -3.9671 -3.9616 -3.9616 -1.5115 -1.5115 -1.4844 -1.4844 -1.4525 -1.4525 -1.4417 -1.4417 -1.3995 -1.3995 -1.3892 -1.3892 5.2074 5.2074 5.2657 5.2657 8.9073 8.9073 8.9503 8.9503 9.6975 9.6975 9.8927 9.8927 10.2943 10.2943 10.5187 10.5187 10.8508 10.8508 10.8965 10.8965 11.5335 11.5335 11.7066 11.7066 12.4960 12.4960 12.5082 12.5082 14.1440 14.1440 14.2157 14.2157 19.3840 19.3840 19.5092 19.5092 20.8653 20.8655 k = 0.4000 0.4619 0.3895 ( 3136 PWs) bands (ev): -3.9968 -3.9968 -3.9903 -3.9903 -3.9677 -3.9677 -3.9616 -3.9616 -1.5115 -1.5115 -1.4838 -1.4838 -1.4504 -1.4504 -1.4403 -1.4403 -1.4017 -1.4017 -1.3905 -1.3905 5.2138 5.2138 5.2753 5.2753 8.9417 8.9417 8.9879 8.9879 9.6738 9.6738 9.8790 9.8790 10.2802 10.2802 10.5197 10.5197 10.8363 10.8363 10.8895 10.8895 11.5046 11.5046 11.6945 11.6945 12.5405 12.5405 12.5448 12.5448 14.0312 14.0312 14.0890 14.0890 19.5561 19.5561 19.6666 19.6666 20.9357 20.9358 k = 0.3933 0.4734 0.3895 ( 3136 PWs) bands (ev): -3.9966 -3.9966 -3.9894 -3.9894 -3.9684 -3.9684 -3.9615 -3.9615 -1.5115 -1.5115 -1.4833 -1.4833 -1.4481 -1.4481 -1.4388 -1.4388 -1.4040 -1.4040 -1.3917 -1.3917 5.2203 5.2203 5.2847 5.2847 8.9773 8.9773 9.0265 9.0265 9.6493 9.6493 9.8631 9.8631 10.2671 10.2671 10.5208 10.5208 10.8213 10.8213 10.8823 10.8823 11.4759 11.4759 11.6832 11.6832 12.5813 12.5813 12.5863 12.5863 13.9263 13.9263 13.9686 13.9686 19.7175 19.7175 19.8107 19.8107 21.0133 21.0133 k = 0.3867 0.4850 0.3895 ( 3136 PWs) bands (ev): -3.9965 -3.9965 -3.9886 -3.9886 -3.9690 -3.9690 -3.9615 -3.9615 -1.5114 -1.5114 -1.4828 -1.4828 -1.4458 -1.4458 -1.4374 -1.4374 -1.4063 -1.4063 -1.3929 -1.3929 5.2267 5.2267 5.2937 5.2937 9.0138 9.0138 9.0658 9.0658 9.6239 9.6239 9.8453 9.8453 10.2553 10.2553 10.5221 10.5221 10.8061 10.8061 10.8748 10.8748 11.4480 11.4480 11.6727 11.6727 12.6174 12.6174 12.6333 12.6333 13.8295 13.8295 13.8550 13.8550 19.8659 19.8659 19.9399 19.9399 21.0983 21.0983 k = 0.3800 0.4965 0.3895 ( 3140 PWs) bands (ev): -3.9964 -3.9964 -3.9877 -3.9877 -3.9697 -3.9697 -3.9614 -3.9614 -1.5114 -1.5114 -1.4824 -1.4824 -1.4433 -1.4433 -1.4360 -1.4360 -1.4087 -1.4087 -1.3941 -1.3941 5.2330 5.2330 5.3024 5.3024 9.0507 9.0507 9.1052 9.1052 9.5978 9.5978 9.8256 9.8256 10.2448 10.2448 10.5236 10.5236 10.7910 10.7910 10.8673 10.8673 11.4214 11.4214 11.6633 11.6633 12.6526 12.6526 12.6810 12.6810 13.7414 13.7414 13.7484 13.7484 19.9995 19.9995 20.0532 20.0532 21.1901 21.1902 k = 0.3733 0.5081 0.3895 ( 3138 PWs) bands (ev): -3.9963 -3.9963 -3.9869 -3.9869 -3.9704 -3.9704 -3.9614 -3.9614 -1.5113 -1.5113 -1.4821 -1.4821 -1.4408 -1.4408 -1.4348 -1.4348 -1.4112 -1.4112 -1.3953 -1.3953 5.2389 5.2389 5.3105 5.3105 9.0875 9.0875 9.1439 9.1439 9.5712 9.5712 9.8045 9.8045 10.2359 10.2359 10.5252 10.5252 10.7765 10.7765 10.8599 10.8599 11.3967 11.3967 11.6550 11.6550 12.6862 12.6862 12.7291 12.7291 13.6494 13.6494 13.6625 13.6625 20.1167 20.1167 20.1502 20.1502 21.2875 21.2875 k = 0.3667 0.5196 0.3895 ( 3126 PWs) bands (ev): -3.9962 -3.9962 -3.9860 -3.9860 -3.9710 -3.9710 -3.9613 -3.9613 -1.5112 -1.5112 -1.4818 -1.4818 -1.4383 -1.4383 -1.4337 -1.4337 -1.4136 -1.4136 -1.3963 -1.3963 5.2444 5.2444 5.3178 5.3178 9.1235 9.1235 9.1810 9.1810 9.5444 9.5444 9.7827 9.7827 10.2285 10.2285 10.5268 10.5268 10.7629 10.7629 10.8529 10.8529 11.3743 11.3743 11.6478 11.6478 12.7174 12.7174 12.7768 12.7768 13.5586 13.5586 13.5935 13.5935 20.2167 20.2167 20.2314 20.2314 21.3877 21.3877 k = 0.3600 0.5312 0.3895 ( 3126 PWs) bands (ev): -3.9961 -3.9961 -3.9853 -3.9853 -3.9717 -3.9717 -3.9613 -3.9613 -1.5111 -1.5111 -1.4816 -1.4816 -1.4357 -1.4357 -1.4327 -1.4327 -1.4161 -1.4161 -1.3972 -1.3972 5.2493 5.2493 5.3242 5.3242 9.1578 9.1578 9.2152 9.2152 9.5182 9.5182 9.7610 9.7610 10.2228 10.2228 10.5284 10.5284 10.7508 10.7508 10.8463 10.8463 11.3549 11.3549 11.6420 11.6420 12.7451 12.7451 12.8232 12.8232 13.4771 13.4771 13.5352 13.5352 20.2973 20.2973 20.2990 20.2990 21.4861 21.4861 k = 0.3533 0.5427 0.3895 ( 3130 PWs) bands (ev): -3.9960 -3.9960 -3.9846 -3.9846 -3.9723 -3.9723 -3.9613 -3.9613 -1.5110 -1.5110 -1.4814 -1.4814 -1.4332 -1.4332 -1.4319 -1.4319 -1.4185 -1.4185 -1.3979 -1.3979 5.2534 5.2534 5.3295 5.3295 9.1890 9.1890 9.2451 9.2451 9.4935 9.4935 9.7410 9.7410 10.2185 10.2185 10.5299 10.5299 10.7405 10.7405 10.8407 10.8407 11.3391 11.3391 11.6374 11.6374 12.7681 12.7681 12.8663 12.8663 13.4065 13.4065 13.4888 13.4888 20.3484 20.3484 20.3636 20.3636 21.5766 21.5766 k = 0.3467 0.5543 0.3895 ( 3132 PWs) bands (ev): -3.9960 -3.9960 -3.9841 -3.9841 -3.9727 -3.9727 -3.9612 -3.9612 -1.5110 -1.5110 -1.4813 -1.4813 -1.4313 -1.4313 -1.4307 -1.4307 -1.4210 -1.4210 -1.3985 -1.3985 5.2565 5.2565 5.3335 5.3335 9.2150 9.2150 9.2687 9.2687 9.4723 9.4723 9.7245 9.7245 10.2156 10.2156 10.5311 10.5311 10.7327 10.7327 10.8363 10.8363 11.3273 11.3273 11.6341 11.6341 12.7853 12.7853 12.9032 12.9032 13.3501 13.3501 13.4551 13.4551 20.3851 20.3851 20.4104 20.4104 21.6506 21.6506 k = 0.3400 0.5658 0.3895 ( 3134 PWs) bands (ev): -3.9959 -3.9959 -3.9837 -3.9837 -3.9731 -3.9731 -3.9612 -3.9612 -1.5109 -1.5109 -1.4812 -1.4812 -1.4309 -1.4309 -1.4283 -1.4283 -1.4234 -1.4234 -1.3988 -1.3988 5.2585 5.2585 5.3361 5.3361 9.2329 9.2329 9.2840 9.2840 9.4574 9.4574 9.7135 9.7135 10.2140 10.2140 10.5320 10.5320 10.7277 10.7277 10.8335 10.8335 11.3200 11.3200 11.6322 11.6322 12.7956 12.7956 12.9288 12.9288 13.3128 13.3128 13.4349 13.4349 20.4073 20.4073 20.4388 20.4388 21.6984 21.6984 k = 0.3333 0.5774 0.3895 ( 3138 PWs) bands (ev): -3.9959 -3.9959 -3.9836 -3.9836 -3.9732 -3.9732 -3.9612 -3.9612 -1.5109 -1.5109 -1.4811 -1.4811 -1.4308 -1.4308 -1.4263 -1.4263 -1.4253 -1.4253 -1.3989 -1.3989 5.2592 5.2592 5.3370 5.3370 9.2393 9.2393 9.2892 9.2892 9.4520 9.4520 9.7096 9.7096 10.2136 10.2136 10.5323 10.5323 10.7259 10.7259 10.8325 10.8325 11.3174 11.3174 11.6315 11.6315 12.7990 12.7990 12.9380 12.9380 13.2997 13.2997 13.4283 13.4283 20.4148 20.4148 20.4484 20.4484 21.7139 21.7139 k = 0.3333 0.5774 0.3895 ( 3138 PWs) bands (ev): -3.9959 -3.9959 -3.9836 -3.9836 -3.9732 -3.9732 -3.9612 -3.9612 -1.5109 -1.5109 -1.4811 -1.4811 -1.4308 -1.4308 -1.4263 -1.4263 -1.4253 -1.4253 -1.3989 -1.3989 5.2592 5.2592 5.3370 5.3370 9.2393 9.2393 9.2892 9.2892 9.4520 9.4520 9.7096 9.7096 10.2136 10.2136 10.5323 10.5323 10.7259 10.7259 10.8325 10.8325 11.3174 11.3174 11.6315 11.6315 12.7990 12.7990 12.9380 12.9380 13.2997 13.2997 13.4283 13.4283 20.4148 20.4148 20.4484 20.4484 21.7139 21.7139 k = 0.3267 0.5658 0.3895 ( 3138 PWs) bands (ev): -3.9959 -3.9959 -3.9837 -3.9837 -3.9731 -3.9731 -3.9612 -3.9612 -1.5109 -1.5109 -1.4812 -1.4812 -1.4309 -1.4309 -1.4282 -1.4282 -1.4235 -1.4235 -1.3988 -1.3988 5.2585 5.2585 5.3360 5.3360 9.2331 9.2331 9.2841 9.2841 9.4572 9.4572 9.7134 9.7134 10.2140 10.2140 10.5319 10.5319 10.7278 10.7278 10.8335 10.8335 11.3200 11.3200 11.6321 11.6321 12.7960 12.7960 12.9296 12.9296 13.3120 13.3120 13.4345 13.4345 20.4072 20.4072 20.4387 20.4387 21.7016 21.7016 k = 0.3200 0.5543 0.3895 ( 3130 PWs) bands (ev): -3.9960 -3.9960 -3.9841 -3.9841 -3.9727 -3.9727 -3.9612 -3.9612 -1.5110 -1.5110 -1.4813 -1.4813 -1.4313 -1.4313 -1.4304 -1.4304 -1.4213 -1.4213 -1.3985 -1.3985 5.2560 5.2560 5.3330 5.3330 9.2167 9.2167 9.2695 9.2695 9.4708 9.4708 9.7242 9.7242 10.2150 10.2150 10.5309 10.5309 10.7335 10.7335 10.8366 10.8366 11.3279 11.3279 11.6339 11.6339 12.7881 12.7881 12.9090 12.9090 13.3446 13.3446 13.4520 13.4520 20.3845 20.3845 20.4094 20.4094 21.6733 21.6733 k = 0.3133 0.5427 0.3895 ( 3114 PWs) bands (ev): -3.9960 -3.9960 -3.9847 -3.9847 -3.9722 -3.9722 -3.9613 -3.9613 -1.5111 -1.5111 -1.4815 -1.4815 -1.4326 -1.4326 -1.4318 -1.4318 -1.4191 -1.4191 -1.3980 -1.3980 5.2517 5.2517 5.3278 5.3278 9.1939 9.1939 9.2476 9.2476 9.4893 9.4893 9.7400 9.7400 10.2164 10.2164 10.5292 10.5292 10.7432 10.7432 10.8416 10.8416 11.3412 11.3412 11.6368 11.6368 12.7773 12.7773 12.8831 12.8831 13.3907 13.3907 13.4790 13.4790 20.3467 20.3467 20.3612 20.3612 21.6393 21.6393 k = 0.3067 0.5312 0.3895 ( 3126 PWs) bands (ev): -3.9961 -3.9961 -3.9854 -3.9854 -3.9716 -3.9716 -3.9613 -3.9613 -1.5112 -1.5112 -1.4817 -1.4817 -1.4346 -1.4346 -1.4325 -1.4325 -1.4171 -1.4171 -1.3974 -1.3974 5.2454 5.2454 5.3202 5.3202 9.1677 9.1677 9.2206 9.2206 9.5098 9.5098 9.7591 9.7591 10.2180 10.2180 10.5268 10.5268 10.7568 10.7568 10.8482 10.8482 11.3598 11.3598 11.6405 11.6405 12.7654 12.7654 12.8569 12.8569 13.4455 13.4455 13.5136 13.5136 20.2948 20.2948 20.2956 20.2956 21.6054 21.6054 k = 0.3000 0.5196 0.3895 ( 3134 PWs) bands (ev): -3.9962 -3.9962 -3.9863 -3.9863 -3.9709 -3.9709 -3.9614 -3.9614 -1.5113 -1.5113 -1.4821 -1.4821 -1.4366 -1.4366 -1.4334 -1.4334 -1.4152 -1.4152 -1.3967 -1.3967 5.2368 5.2368 5.3100 5.3100 9.1403 9.1403 9.1906 9.1906 9.5308 9.5308 9.7798 9.7798 10.2196 10.2196 10.5238 10.5238 10.7742 10.7742 10.8562 10.8562 11.3834 11.3834 11.6449 11.6449 12.7542 12.7542 12.8339 12.8339 13.5060 13.5060 13.5543 13.5543 20.2149 20.2149 20.2300 20.2300 21.5734 21.5734 k = 0.2933 0.5081 0.3895 ( 3130 PWs) bands (ev): -3.9963 -3.9963 -3.9872 -3.9872 -3.9701 -3.9701 -3.9615 -3.9615 -1.5115 -1.5115 -1.4826 -1.4826 -1.4384 -1.4384 -1.4344 -1.4344 -1.4135 -1.4135 -1.3959 -1.3959 5.2259 5.2259 5.2972 5.2972 9.1131 9.1131 9.1593 9.1593 9.5512 9.5512 9.8009 9.8009 10.2210 10.2210 10.5203 10.5203 10.7948 10.7948 10.8652 10.8652 11.4115 11.4115 11.6497 11.6497 12.7454 12.7454 12.8159 12.8159 13.5708 13.5708 13.6000 13.6000 20.1217 20.1217 20.1540 20.1540 21.5430 21.5430 k = 0.2867 0.4965 0.3895 ( 3138 PWs) bands (ev): -3.9964 -3.9964 -3.9882 -3.9882 -3.9694 -3.9694 -3.9615 -3.9615 -1.5117 -1.5117 -1.4832 -1.4832 -1.4401 -1.4401 -1.4355 -1.4355 -1.4118 -1.4118 -1.3950 -1.3950 5.2126 5.2126 5.2815 5.2815 9.0870 9.0870 9.1282 9.1282 9.5707 9.5707 9.8218 9.8218 10.2221 10.2221 10.5164 10.5164 10.8182 10.8182 10.8749 10.8749 11.4432 11.4432 11.6545 11.6545 12.7403 12.7403 12.8044 12.8044 13.6390 13.6390 13.6497 13.6497 20.0184 20.0184 20.0687 20.0687 21.5130 21.5130 k = 0.2800 0.4850 0.3895 ( 3134 PWs) bands (ev): -3.9966 -3.9966 -3.9893 -3.9893 -3.9686 -3.9686 -3.9616 -3.9616 -1.5120 -1.5120 -1.4838 -1.4838 -1.4417 -1.4417 -1.4366 -1.4366 -1.4103 -1.4103 -1.3942 -1.3942 5.1966 5.1966 5.2630 5.2630 9.0629 9.0629 9.0982 9.0982 9.5891 9.5891 9.8419 9.8419 10.2229 10.2229 10.5122 10.5122 10.8436 10.8436 10.8852 10.8852 11.4777 11.4777 11.6590 11.6590 12.7404 12.7404 12.8005 12.8005 13.7027 13.7027 13.7101 13.7101 19.9074 19.9074 19.9759 19.9759 21.4819 21.4819 k = 0.2733 0.4734 0.3895 ( 3138 PWs) bands (ev): -3.9968 -3.9968 -3.9903 -3.9903 -3.9678 -3.9678 -3.9618 -3.9618 -1.5122 -1.5122 -1.4846 -1.4846 -1.4431 -1.4431 -1.4378 -1.4378 -1.4090 -1.4090 -1.3934 -1.3934 5.1779 5.1779 5.2415 5.2415 9.0413 9.0413 9.0701 9.0701 9.6064 9.6064 9.8612 9.8612 10.2234 10.2234 10.5077 10.5077 10.8704 10.8704 10.8959 10.8959 11.5136 11.5136 11.6627 11.6627 12.7469 12.7469 12.8050 12.8050 13.7587 13.7587 13.7837 13.7837 19.7906 19.7906 19.8772 19.8772 21.4487 21.4487 k = 0.2667 0.4619 0.3895 ( 3136 PWs) bands (ev): -3.9970 -3.9970 -3.9914 -3.9914 -3.9671 -3.9671 -3.9619 -3.9619 -1.5125 -1.5125 -1.4855 -1.4855 -1.4444 -1.4444 -1.4390 -1.4390 -1.4077 -1.4077 -1.3926 -1.3926 5.1566 5.1566 5.2171 5.2171 9.0226 9.0226 9.0447 9.0447 9.6225 9.6225 9.8795 9.8795 10.2237 10.2237 10.5030 10.5030 10.8977 10.8977 10.9068 10.9068 11.5495 11.5495 11.6652 11.6652 12.7611 12.7611 12.8186 12.8186 13.8172 13.8172 13.8598 13.8598 19.6697 19.6697 19.7742 19.7742 21.4124 21.4124 k = 0.2600 0.4503 0.3895 ( 3146 PWs) bands (ev): -3.9972 -3.9972 -3.9924 -3.9924 -3.9664 -3.9664 -3.9621 -3.9621 -1.5128 -1.5128 -1.4865 -1.4865 -1.4456 -1.4456 -1.4403 -1.4403 -1.4066 -1.4066 -1.3918 -1.3918 5.1324 5.1324 5.1898 5.1898 9.0073 9.0073 9.0224 9.0224 9.6376 9.6376 9.8968 9.8968 10.2237 10.2237 10.4980 10.4980 10.9179 10.9179 10.9251 10.9251 11.5839 11.5839 11.6661 11.6661 12.7842 12.7842 12.8418 12.8418 13.8779 13.8779 13.9383 13.9383 19.5458 19.5458 19.6681 19.6681 21.3708 21.3709 k = 0.2533 0.4388 0.3895 ( 3142 PWs) bands (ev): -3.9974 -3.9974 -3.9935 -3.9935 -3.9658 -3.9658 -3.9622 -3.9622 -1.5131 -1.5131 -1.4876 -1.4876 -1.4467 -1.4467 -1.4415 -1.4415 -1.4057 -1.4057 -1.3912 -1.3912 5.1055 5.1055 5.1596 5.1596 8.9955 8.9955 9.0036 9.0036 9.6518 9.6518 9.9133 9.9133 10.2236 10.2236 10.4929 10.4929 10.9292 10.9292 10.9518 10.9518 11.6156 11.6156 11.6653 11.6653 12.8171 12.8171 12.8747 12.8747 13.9408 13.9408 14.0191 14.0191 19.4199 19.4199 19.5600 19.5600 21.3156 21.3156 k = 0.2467 0.4272 0.3895 ( 3138 PWs) bands (ev): -3.9977 -3.9977 -3.9945 -3.9945 -3.9652 -3.9652 -3.9624 -3.9624 -1.5134 -1.5134 -1.4887 -1.4887 -1.4476 -1.4476 -1.4428 -1.4428 -1.4048 -1.4048 -1.3906 -1.3906 5.0760 5.0760 5.1266 5.1266 8.9876 8.9876 8.9887 8.9887 9.6653 9.6653 9.9289 9.9289 10.2235 10.2235 10.4876 10.4876 10.9406 10.9406 10.9775 10.9775 11.6433 11.6433 11.6626 11.6626 12.8605 12.8605 12.9174 12.9174 14.0056 14.0056 14.1022 14.1022 19.2930 19.2930 19.4507 19.4507 21.2578 21.2578 k = 0.2400 0.4157 0.3895 ( 3134 PWs) bands (ev): -3.9979 -3.9979 -3.9955 -3.9955 -3.9647 -3.9647 -3.9626 -3.9626 -1.5137 -1.5137 -1.4899 -1.4899 -1.4485 -1.4485 -1.4441 -1.4441 -1.4041 -1.4041 -1.3902 -1.3902 5.0438 5.0438 5.0910 5.0910 8.9779 8.9779 8.9837 8.9837 9.6781 9.6781 9.9437 9.9437 10.2233 10.2233 10.4821 10.4821 10.9523 10.9523 11.0018 11.0018 11.6580 11.6580 11.6664 11.6664 12.9149 12.9149 12.9695 12.9695 14.0721 14.0721 14.1877 14.1877 19.1656 19.1656 19.3410 19.3410 21.1978 21.1978 k = 0.2333 0.4041 0.3895 ( 3134 PWs) bands (ev): -3.9982 -3.9982 -3.9964 -3.9964 -3.9642 -3.9642 -3.9629 -3.9629 -1.5139 -1.5139 -1.4911 -1.4911 -1.4494 -1.4494 -1.4454 -1.4454 -1.4036 -1.4036 -1.3898 -1.3898 5.0091 5.0091 5.0529 5.0529 8.9712 8.9712 8.9837 8.9837 9.6904 9.6904 9.9579 9.9579 10.2231 10.2231 10.4764 10.4764 10.9642 10.9642 11.0246 11.0246 11.6517 11.6517 11.6844 11.6844 12.9800 12.9800 13.0306 13.0306 14.1404 14.1404 14.2757 14.2757 19.0385 19.0385 19.2315 19.2315 21.1359 21.1359 k = 0.2267 0.3926 0.3895 ( 3130 PWs) bands (ev): -3.9985 -3.9985 -3.9973 -3.9973 -3.9639 -3.9639 -3.9631 -3.9631 -1.5142 -1.5142 -1.4923 -1.4923 -1.4502 -1.4502 -1.4466 -1.4466 -1.4031 -1.4031 -1.3895 -1.3895 4.9722 4.9722 5.0125 5.0125 8.9687 8.9687 8.9878 8.9878 9.7023 9.7023 9.9714 9.9714 10.2230 10.2230 10.4705 10.4705 10.9763 10.9763 11.0456 11.0456 11.6439 11.6439 11.6974 11.6974 13.0555 13.0555 13.1001 13.1001 14.2103 14.2103 14.3661 14.3661 18.9121 18.9121 19.1229 19.1229 21.0726 21.0726 k = 0.2200 0.3811 0.3895 ( 3138 PWs) bands (ev): -3.9988 -3.9988 -3.9982 -3.9982 -3.9636 -3.9636 -3.9634 -3.9634 -1.5144 -1.5144 -1.4935 -1.4935 -1.4509 -1.4509 -1.4479 -1.4479 -1.4028 -1.4028 -1.3894 -1.3894 4.9330 4.9330 4.9701 4.9701 8.9705 8.9705 8.9959 8.9959 9.7137 9.7137 9.9842 9.9842 10.2230 10.2230 10.4645 10.4645 10.9885 10.9885 11.0650 11.0650 11.6348 11.6348 11.7057 11.7057 13.1405 13.1405 13.1770 13.1770 14.2818 14.2818 14.4590 14.4590 18.7869 18.7869 19.0158 19.0158 21.0083 21.0083 k = 0.2133 0.3695 0.3895 ( 3142 PWs) bands (ev): -3.9990 -3.9990 -3.9990 -3.9990 -3.9637 -3.9637 -3.9633 -3.9633 -1.5145 -1.5145 -1.4947 -1.4947 -1.4517 -1.4517 -1.4492 -1.4492 -1.4026 -1.4026 -1.3894 -1.3894 4.8920 4.8920 4.9258 4.9258 8.9764 8.9764 9.0079 9.0079 9.7248 9.7248 9.9963 9.9963 10.2231 10.2231 10.4582 10.4582 11.0010 11.0010 11.0827 11.0827 11.6249 11.6249 11.7098 11.7098 13.2341 13.2341 13.2606 13.2606 14.3547 14.3547 14.5546 14.5546 18.6634 18.6634 18.9106 18.9106 20.9435 20.9435 k = 0.2067 0.3580 0.3895 ( 3130 PWs) bands (ev): -3.9998 -3.9998 -3.9993 -3.9993 -3.9640 -3.9640 -3.9632 -3.9632 -1.5146 -1.5146 -1.4959 -1.4959 -1.4524 -1.4524 -1.4504 -1.4504 -1.4025 -1.4025 -1.3895 -1.3895 4.8492 4.8492 4.8799 4.8799 8.9864 8.9864 9.0237 9.0237 9.7357 9.7357 10.0079 10.0079 10.2234 10.2234 10.4518 10.4518 11.0136 11.0136 11.0989 11.0989 11.6143 11.6143 11.7104 11.7104 13.3350 13.3350 13.3499 13.3499 14.4291 14.4291 14.6527 14.6527 18.5422 18.5422 18.8081 18.8081 20.8786 20.8786 k = 0.2000 0.3464 0.3895 ( 3130 PWs) bands (ev): -4.0005 -4.0005 -3.9996 -3.9996 -3.9644 -3.9644 -3.9631 -3.9631 -1.5147 -1.5147 -1.4970 -1.4970 -1.4532 -1.4532 -1.4517 -1.4517 -1.4024 -1.4024 -1.3897 -1.3897 4.8050 4.8050 4.8327 4.8327 9.0004 9.0004 9.0432 9.0432 9.7464 9.7464 10.0187 10.0187 10.2239 10.2239 10.4452 10.4452 11.0264 11.0264 11.1135 11.1135 11.6035 11.6035 11.7079 11.7079 13.4421 13.4421 13.4439 13.4439 14.5049 14.5049 14.7536 14.7536 18.4237 18.4237 18.7086 18.7086 20.8140 20.8140 k = 0.1933 0.3349 0.3895 ( 3134 PWs) bands (ev): -4.0011 -4.0011 -3.9998 -3.9998 -3.9647 -3.9647 -3.9631 -3.9631 -1.5147 -1.5147 -1.4981 -1.4981 -1.4539 -1.4539 -1.4530 -1.4530 -1.4025 -1.4025 -1.3901 -1.3901 4.7595 4.7595 4.7844 4.7844 9.0181 9.0181 9.0661 9.0661 9.7569 9.7569 10.0288 10.0288 10.2245 10.2245 10.4385 10.4385 11.0393 11.0393 11.1268 11.1268 11.5926 11.5926 11.7030 11.7030 13.5416 13.5416 13.5542 13.5542 14.5822 14.5822 14.8573 14.8573 18.3085 18.3085 18.6129 18.6129 20.7502 20.7502 k = 0.1867 0.3233 0.3895 ( 3126 PWs) bands (ev): -4.0016 -4.0016 -4.0001 -4.0001 -3.9651 -3.9651 -3.9632 -3.9632 -1.5147 -1.5147 -1.4991 -1.4991 -1.4547 -1.4547 -1.4542 -1.4542 -1.4027 -1.4027 -1.3906 -1.3906 4.7131 4.7131 4.7354 4.7354 9.0393 9.0393 9.0922 9.0922 9.7673 9.7673 10.0382 10.0382 10.2255 10.2255 10.4316 10.4316 11.0524 11.0524 11.1388 11.1388 11.5819 11.5819 11.6962 11.6962 13.6420 13.6420 13.6699 13.6699 14.6610 14.6610 14.9637 14.9637 18.1972 18.1972 18.5217 18.5217 20.6875 20.6875 k = 0.1800 0.3118 0.3895 ( 3130 PWs) bands (ev): -4.0021 -4.0021 -4.0003 -4.0003 -3.9656 -3.9656 -3.9634 -3.9634 -1.5146 -1.5146 -1.5000 -1.5000 -1.4555 -1.4555 -1.4554 -1.4554 -1.4029 -1.4029 -1.3912 -1.3912 4.6659 4.6659 4.6858 4.6858 9.0639 9.0639 9.1213 9.1213 9.7775 9.7775 10.0467 10.0467 10.2267 10.2267 10.4246 10.4246 11.0655 11.0655 11.1498 11.1498 11.5716 11.5716 11.6879 11.6879 13.7440 13.7440 13.7879 13.7879 14.7415 14.7415 15.0729 15.0729 18.0904 18.0904 18.4355 18.4355 20.6262 20.6262 k = 0.1733 0.3002 0.3895 ( 3124 PWs) bands (ev): -4.0026 -4.0026 -4.0005 -4.0005 -3.9660 -3.9660 -3.9637 -3.9637 -1.5144 -1.5144 -1.5009 -1.5009 -1.4566 -1.4566 -1.4563 -1.4563 -1.4033 -1.4033 -1.3919 -1.3919 4.6183 4.6183 4.6359 4.6359 9.0915 9.0915 9.1532 9.1532 9.7876 9.7876 10.0544 10.0544 10.2282 10.2282 10.4175 10.4175 11.0786 11.0786 11.1599 11.1599 11.5618 11.5618 11.6785 11.6785 13.8467 13.8467 13.9066 13.9066 14.8242 14.8242 15.1847 15.1847 17.9891 17.9891 18.3552 18.3552 20.5667 20.5667 k = 0.1667 0.2887 0.3895 ( 3116 PWs) bands (ev): -4.0029 -4.0029 -4.0007 -4.0007 -3.9665 -3.9665 -3.9640 -3.9640 -1.5142 -1.5142 -1.5017 -1.5017 -1.4578 -1.4578 -1.4572 -1.4572 -1.4037 -1.4037 -1.3927 -1.3927 4.5705 4.5705 4.5860 4.5860 9.1220 9.1220 9.1876 9.1876 9.7976 9.7976 10.0611 10.0611 10.2301 10.2301 10.4104 10.4104 11.0918 11.0918 11.1692 11.1692 11.5526 11.5526 11.6682 11.6682 13.9488 13.9488 14.0243 14.0243 14.9095 14.9095 15.2992 15.2992 17.8942 17.8942 18.2815 18.2815 20.5092 20.5092 k = 0.1600 0.2771 0.3895 ( 3118 PWs) bands (ev): -4.0032 -4.0032 -4.0008 -4.0008 -3.9670 -3.9670 -3.9644 -3.9644 -1.5139 -1.5139 -1.5024 -1.5024 -1.4590 -1.4590 -1.4581 -1.4581 -1.4041 -1.4041 -1.3937 -1.3937 4.5227 4.5227 4.5363 4.5363 9.1551 9.1551 9.2243 9.2243 9.8075 9.8075 10.0669 10.0669 10.2323 10.2323 10.4032 10.4032 11.1050 11.1050 11.1778 11.1778 11.5441 11.5441 11.6574 11.6574 14.0493 14.0493 14.1389 14.1389 14.9982 14.9982 15.4162 15.4162 17.8065 17.8065 18.2154 18.2154 20.4540 20.4540 k = 0.1533 0.2656 0.3895 ( 3114 PWs) bands (ev): -4.0034 -4.0034 -4.0010 -4.0010 -3.9676 -3.9676 -3.9649 -3.9649 -1.5135 -1.5135 -1.5030 -1.5030 -1.4601 -1.4601 -1.4589 -1.4589 -1.4047 -1.4047 -1.3947 -1.3947 4.4752 4.4752 4.4870 4.4870 9.1904 9.1904 9.2628 9.2628 9.8173 9.8173 10.0715 10.0715 10.2349 10.2349 10.3960 10.3960 11.1182 11.1182 11.1860 11.1860 11.5364 11.5364 11.6462 11.6462 14.1468 14.1468 14.2484 14.2484 15.0914 15.0914 15.5353 15.5353 17.7275 17.7275 18.1577 18.1577 20.4015 20.4015 k = 0.1467 0.2540 0.3895 ( 3118 PWs) bands (ev): -4.0035 -4.0035 -4.0010 -4.0010 -3.9682 -3.9682 -3.9655 -3.9655 -1.5131 -1.5131 -1.5035 -1.5035 -1.4612 -1.4612 -1.4598 -1.4598 -1.4052 -1.4052 -1.3959 -1.3959 4.4281 4.4281 4.4384 4.4384 9.2277 9.2277 9.3030 9.3030 9.8271 9.8271 10.0751 10.0751 10.2379 10.2379 10.3889 10.3889 11.1313 11.1313 11.1939 11.1939 11.5293 11.5293 11.6347 11.6347 14.2402 14.2402 14.3502 14.3502 15.1901 15.1901 15.6564 15.6564 17.6583 17.6583 18.1092 18.1092 20.3518 20.3518 k = 0.1400 0.2425 0.3895 ( 3130 PWs) bands (ev): -4.0035 -4.0035 -4.0011 -4.0011 -3.9688 -3.9688 -3.9661 -3.9661 -1.5126 -1.5126 -1.5040 -1.5040 -1.4622 -1.4622 -1.4608 -1.4608 -1.4059 -1.4059 -1.3971 -1.3971 4.3818 4.3818 4.3907 4.3907 9.2667 9.2667 9.3445 9.3445 9.8368 9.8368 10.0776 10.0776 10.2413 10.2413 10.3819 10.3819 11.1443 11.1443 11.2016 11.2016 11.5230 11.5230 11.6232 11.6232 14.3280 14.3280 14.4422 14.4422 15.2955 15.2955 15.7788 15.7788 17.6006 17.6006 18.0707 18.0707 20.3052 20.3052 k = 0.1333 0.2309 0.3895 ( 3130 PWs) bands (ev): -4.0035 -4.0035 -4.0011 -4.0011 -3.9694 -3.9694 -3.9668 -3.9668 -1.5121 -1.5121 -1.5044 -1.5044 -1.4633 -1.4633 -1.4617 -1.4617 -1.4066 -1.4066 -1.3984 -1.3984 4.3364 4.3364 4.3440 4.3440 9.3071 9.3071 9.3870 9.3870 9.8465 9.8465 10.0790 10.0790 10.2452 10.2452 10.3751 10.3751 11.1573 11.1573 11.2092 11.2092 11.5172 11.5172 11.6116 11.6116 14.4090 14.4090 14.5225 14.5225 15.4084 15.4084 15.9020 15.9020 17.5561 17.5561 18.0431 18.0431 20.2621 20.2621 k = 0.1267 0.2194 0.3895 ( 3128 PWs) bands (ev): -4.0034 -4.0034 -4.0010 -4.0010 -3.9701 -3.9701 -3.9676 -3.9676 -1.5115 -1.5115 -1.5047 -1.5047 -1.4642 -1.4642 -1.4626 -1.4626 -1.4073 -1.4073 -1.3998 -1.3998 4.2921 4.2921 4.2985 4.2985 9.3485 9.3485 9.4301 9.4301 9.8561 9.8561 10.0793 10.0793 10.2496 10.2496 10.3685 10.3685 11.1702 11.1702 11.2168 11.2168 11.5120 11.5120 11.6001 11.6001 14.4818 14.4818 14.5897 14.5897 15.5291 15.5291 16.0252 16.0252 17.5264 17.5264 18.0268 18.0268 20.2228 20.2228 k = 0.1200 0.2078 0.3895 ( 3136 PWs) bands (ev): -4.0032 -4.0032 -4.0009 -4.0009 -3.9709 -3.9709 -3.9684 -3.9684 -1.5109 -1.5109 -1.5049 -1.5049 -1.4651 -1.4651 -1.4635 -1.4635 -1.4081 -1.4081 -1.4012 -1.4012 4.2491 4.2491 4.2545 4.2545 9.3907 9.3907 9.4735 9.4735 9.8658 9.8658 10.0786 10.0786 10.2545 10.2545 10.3622 10.3622 11.1830 11.1830 11.2245 11.2245 11.5073 11.5073 11.5888 11.5888 14.5452 14.5452 14.6436 14.6436 15.6571 15.6571 16.1476 16.1476 17.5133 17.5133 18.0222 18.0222 20.1876 20.1876 k = 0.1133 0.1963 0.3895 ( 3136 PWs) bands (ev): -4.0029 -4.0029 -4.0008 -4.0008 -3.9716 -3.9716 -3.9693 -3.9693 -1.5103 -1.5103 -1.5050 -1.5050 -1.4659 -1.4659 -1.4643 -1.4643 -1.4089 -1.4089 -1.4027 -1.4027 4.2075 4.2075 4.2120 4.2120 9.4333 9.4333 9.5166 9.5166 9.8754 9.8754 10.0768 10.0768 10.2598 10.2598 10.3563 10.3563 11.1958 11.1958 11.2325 11.2325 11.5030 11.5030 11.5775 11.5775 14.5984 14.5984 14.6843 14.6843 15.7917 15.7917 16.2681 16.2681 17.5182 17.5182 18.0293 18.0293 20.1570 20.1570 k = 0.1067 0.1848 0.3895 ( 3136 PWs) bands (ev): -4.0026 -4.0026 -4.0006 -4.0006 -3.9724 -3.9724 -3.9703 -3.9703 -1.5096 -1.5096 -1.5051 -1.5051 -1.4667 -1.4667 -1.4651 -1.4651 -1.4098 -1.4098 -1.4042 -1.4042 4.1675 4.1675 4.1712 4.1712 9.4760 9.4760 9.5592 9.5592 9.8851 9.8851 10.0741 10.0741 10.2657 10.2657 10.3509 10.3509 11.2084 11.2084 11.2406 11.2406 11.4990 11.4990 11.5664 11.5664 14.6406 14.6406 14.7126 14.7126 15.9314 15.9314 16.3859 16.3859 17.5424 17.5424 18.0480 18.0480 20.1313 20.1313 k = 0.1000 0.1732 0.3895 ( 3136 PWs) bands (ev): -4.0022 -4.0022 -4.0003 -4.0003 -3.9732 -3.9732 -3.9713 -3.9713 -1.5090 -1.5090 -1.5052 -1.5052 -1.4674 -1.4674 -1.4659 -1.4659 -1.4106 -1.4106 -1.4058 -1.4058 4.1292 4.1292 4.1323 4.1323 9.5185 9.5185 9.6008 9.6008 9.8949 9.8949 10.0704 10.0704 10.2720 10.2720 10.3462 10.3462 11.2210 11.2210 11.2491 11.2491 11.4952 11.4952 11.5555 11.5555 14.6717 14.6717 14.7298 14.7298 16.0750 16.0750 16.5001 16.5001 17.5860 17.5860 18.0778 18.0778 20.1112 20.1112 k = 0.0933 0.1617 0.3895 ( 3132 PWs) bands (ev): -4.0017 -4.0017 -4.0000 -4.0000 -3.9741 -3.9741 -3.9723 -3.9723 -1.5083 -1.5083 -1.5052 -1.5052 -1.4680 -1.4680 -1.4666 -1.4666 -1.4115 -1.4115 -1.4073 -1.4073 4.0929 4.0929 4.0953 4.0953 9.5604 9.5604 9.6409 9.6409 9.9047 9.9047 10.0660 10.0660 10.2787 10.2787 10.3421 10.3421 11.2334 11.2334 11.2579 11.2579 11.4914 11.4914 11.5448 11.5448 14.6921 14.6921 14.7371 14.7371 16.2208 16.2208 16.6102 16.6102 17.6487 17.6487 18.1178 18.1178 20.0971 20.0971 k = 0.0867 0.1501 0.3895 ( 3132 PWs) bands (ev): -4.0011 -4.0011 -3.9996 -3.9996 -3.9750 -3.9750 -3.9734 -3.9734 -1.5077 -1.5077 -1.5051 -1.5051 -1.4685 -1.4685 -1.4672 -1.4672 -1.4125 -1.4125 -1.4089 -1.4089 4.0585 4.0585 4.0605 4.0605 9.6014 9.6014 9.6791 9.6791 9.9145 9.9145 10.0608 10.0608 10.2858 10.2858 10.3389 10.3389 11.2458 11.2458 11.2670 11.2670 11.4877 11.4877 11.5342 11.5342 14.7024 14.7024 14.7360 14.7360 16.3675 16.3675 16.7162 16.7162 17.7290 17.7290 18.1671 18.1671 20.0899 20.0899 k = 0.0800 0.1386 0.3895 ( 3132 PWs) bands (ev): -4.0005 -4.0005 -3.9992 -3.9992 -3.9759 -3.9759 -3.9745 -3.9745 -1.5071 -1.5071 -1.5051 -1.5051 -1.4689 -1.4689 -1.4678 -1.4678 -1.4134 -1.4134 -1.4104 -1.4104 4.0263 4.0263 4.0278 4.0278 9.6412 9.6412 9.7150 9.7150 9.9244 9.9244 10.0550 10.0550 10.2933 10.2933 10.3367 10.3367 11.2582 11.2582 11.2764 11.2764 11.4838 11.4838 11.5238 11.5238 14.7039 14.7039 14.7281 14.7281 16.5135 16.5135 16.8180 16.8180 17.8245 17.8245 18.2242 18.2242 20.0902 20.0902 k = 0.0733 0.1270 0.3895 ( 3132 PWs) bands (ev): -3.9999 -3.9999 -3.9987 -3.9987 -3.9768 -3.9768 -3.9756 -3.9756 -1.5066 -1.5066 -1.5050 -1.5050 -1.4693 -1.4693 -1.4683 -1.4683 -1.4144 -1.4144 -1.4119 -1.4119 3.9962 3.9962 3.9974 3.9974 9.6795 9.6795 9.7482 9.7482 9.9341 9.9341 10.0485 10.0485 10.3011 10.3011 10.3355 10.3355 11.2705 11.2705 11.2860 11.2860 11.4798 11.4798 11.5135 11.5135 14.6980 14.6980 14.7148 14.7148 16.6572 16.6572 16.9160 16.9160 17.9324 17.9324 18.2879 18.2879 20.0989 20.0989 k = 0.0667 0.1155 0.3895 ( 3132 PWs) bands (ev): -3.9992 -3.9992 -3.9982 -3.9982 -3.9778 -3.9778 -3.9768 -3.9768 -1.5061 -1.5061 -1.5048 -1.5048 -1.4695 -1.4695 -1.4687 -1.4687 -1.4153 -1.4153 -1.4134 -1.4134 3.9685 3.9685 3.9694 3.9694 9.7160 9.7160 9.7784 9.7784 9.9435 9.9435 10.0416 10.0416 10.3091 10.3091 10.3355 10.3355 11.2828 11.2828 11.2959 11.2959 11.4754 11.4754 11.5033 11.5033 14.6863 14.6863 14.6974 14.6974 16.7969 16.7969 17.0102 17.0102 18.0494 18.0494 18.3567 18.3567 20.1167 20.1167 k = 0.0600 0.1039 0.3895 ( 3140 PWs) bands (ev): -3.9984 -3.9984 -3.9976 -3.9976 -3.9787 -3.9787 -3.9779 -3.9779 -1.5056 -1.5056 -1.5047 -1.5047 -1.4697 -1.4697 -1.4690 -1.4690 -1.4162 -1.4162 -1.4147 -1.4147 3.9432 3.9432 3.9438 3.9438 9.7505 9.7505 9.8055 9.8055 9.9524 9.9524 10.0341 10.0341 10.3172 10.3172 10.3367 10.3367 11.2951 11.2951 11.3060 11.3060 11.4707 11.4707 11.4933 11.4933 14.6703 14.6703 14.6774 14.6774 16.9308 16.9308 17.1004 17.1004 18.1721 18.1721 18.4290 18.4290 20.1444 20.1444 k = 0.0533 0.0924 0.3895 ( 3144 PWs) bands (ev): -3.9976 -3.9976 -3.9970 -3.9970 -3.9797 -3.9797 -3.9791 -3.9791 -1.5052 -1.5052 -1.5046 -1.5046 -1.4698 -1.4698 -1.4693 -1.4693 -1.4171 -1.4171 -1.4160 -1.4160 3.9203 3.9203 3.9207 3.9207 9.7828 9.7828 9.8296 9.8296 9.9604 9.9604 10.0263 10.0263 10.3253 10.3253 10.3390 10.3390 11.3073 11.3073 11.3163 11.3163 11.4656 11.4656 11.4833 11.4833 14.6517 14.6517 14.6560 14.6560 17.0570 17.0570 17.1862 17.1862 18.2971 18.2971 18.5032 18.5032 20.1825 20.1825 k = 0.0467 0.0808 0.3895 ( 3144 PWs) bands (ev): -3.9968 -3.9968 -3.9963 -3.9963 -3.9807 -3.9807 -3.9802 -3.9802 -1.5049 -1.5049 -1.5045 -1.5045 -1.4699 -1.4699 -1.4695 -1.4695 -1.4179 -1.4179 -1.4172 -1.4172 3.8999 3.8999 3.9002 3.9002 9.8127 9.8127 9.8508 9.8508 9.9670 9.9670 10.0182 10.0182 10.3332 10.3332 10.3422 10.3422 11.3195 11.3195 11.3266 11.3266 11.4600 11.4600 11.4733 11.4733 14.6318 14.6318 14.6343 14.6343 17.1735 17.1735 17.2668 17.2668 18.4209 18.4209 18.5780 18.5780 20.2313 20.2313 k = 0.0400 0.0693 0.3895 ( 3148 PWs) bands (ev): -3.9960 -3.9960 -3.9956 -3.9956 -3.9817 -3.9817 -3.9814 -3.9814 -1.5046 -1.5046 -1.5043 -1.5043 -1.4699 -1.4699 -1.4696 -1.4696 -1.4187 -1.4187 -1.4182 -1.4182 3.8822 3.8822 3.8824 3.8824 9.8400 9.8400 9.8696 9.8696 9.9720 9.9720 10.0097 10.0097 10.3407 10.3407 10.3462 10.3462 11.3315 11.3315 11.3370 11.3370 11.4538 11.4538 11.4634 11.4634 14.6120 14.6120 14.6134 14.6134 17.2782 17.2782 17.3410 17.3410 18.5399 18.5399 18.6517 18.6517 20.2904 20.2904 k = 0.0333 0.0577 0.3895 ( 3152 PWs) bands (ev): -3.9951 -3.9951 -3.9949 -3.9949 -3.9827 -3.9827 -3.9825 -3.9825 -1.5044 -1.5044 -1.5042 -1.5042 -1.4698 -1.4698 -1.4697 -1.4697 -1.4194 -1.4194 -1.4191 -1.4191 3.8671 3.8671 3.8672 3.8672 9.8648 9.8648 9.8862 9.8862 9.9749 9.9749 10.0010 10.0010 10.3475 10.3475 10.3506 10.3506 11.3434 11.3434 11.3475 11.3475 11.4470 11.4470 11.4535 11.4535 14.5934 14.5934 14.5941 14.5941 17.3692 17.3692 17.4078 17.4078 18.6500 18.6500 18.7226 18.7226 20.3584 20.3584 k = 0.0267 0.0462 0.3895 ( 3148 PWs) bands (ev): -3.9943 -3.9943 -3.9941 -3.9941 -3.9836 -3.9836 -3.9835 -3.9835 -1.5042 -1.5042 -1.5041 -1.5041 -1.4698 -1.4698 -1.4697 -1.4697 -1.4201 -1.4201 -1.4199 -1.4199 3.8547 3.8547 3.8547 3.8547 9.8869 9.8869 9.9010 9.9010 9.9756 9.9756 9.9921 9.9921 10.3535 10.3535 10.3550 10.3550 11.3551 11.3551 11.3578 11.3578 11.4397 11.4397 11.4437 11.4437 14.5769 14.5769 14.5772 14.5772 17.4449 17.4449 17.4656 17.4656 18.7472 18.7472 18.7884 18.7884 20.4328 20.4328 k = 0.0200 0.0346 0.3895 ( 3144 PWs) bands (ev): -3.9935 -3.9935 -3.9934 -3.9934 -3.9845 -3.9845 -3.9844 -3.9844 -1.5041 -1.5041 -1.5041 -1.5041 -1.4697 -1.4697 -1.4697 -1.4697 -1.4206 -1.4206 -1.4205 -1.4205 3.8450 3.8450 3.8450 3.8450 9.9062 9.9062 9.9143 9.9143 9.9740 9.9740 9.9830 9.9830 10.3584 10.3584 10.3590 10.3590 11.3664 11.3664 11.3680 11.3680 11.4319 11.4319 11.4340 11.4340 14.5633 14.5633 14.5634 14.5634 17.5040 17.5040 17.5131 17.5131 18.8274 18.8274 18.8463 18.8463 20.5088 20.5088 k = 0.0133 0.0231 0.3895 ( 3142 PWs) bands (ev): -3.9928 -3.9928 -3.9928 -3.9928 -3.9853 -3.9853 -3.9852 -3.9852 -1.5040 -1.5040 -1.5040 -1.5040 -1.4697 -1.4697 -1.4697 -1.4697 -1.4209 -1.4209 -1.4209 -1.4209 3.8380 3.8380 3.8380 3.8380 9.9227 9.9227 9.9261 9.9261 9.9702 9.9702 9.9740 9.9740 10.3620 10.3620 10.3622 10.3622 11.3770 11.3770 11.3777 11.3777 11.4238 11.4238 11.4247 11.4247 14.5531 14.5531 14.5531 14.5531 17.5460 17.5460 17.5488 17.5488 18.8867 18.8867 18.8927 18.8927 20.5786 20.5788 k = 0.0067 0.0115 0.3895 ( 3142 PWs) bands (ev): -3.9923 -3.9923 -3.9923 -3.9923 -3.9858 -3.9858 -3.9858 -3.9858 -1.5040 -1.5040 -1.5040 -1.5040 -1.4697 -1.4697 -1.4697 -1.4697 -1.4212 -1.4212 -1.4212 -1.4212 3.8339 3.8339 3.8339 3.8339 9.9355 9.9355 9.9362 9.9362 9.9649 9.9649 9.9657 9.9657 10.3642 10.3642 10.3643 10.3643 11.3861 11.3861 11.3862 11.3862 11.4163 11.4163 11.4164 11.4164 14.5469 14.5469 14.5469 14.5469 17.5708 17.5708 17.5711 17.5711 18.9227 18.9227 18.9235 18.9235 20.6298 20.6306 k = 0.0000 0.0000 0.3895 ( 3154 PWs) bands (ev): -3.9921 -3.9921 -3.9921 -3.9921 -3.9860 -3.9860 -3.9860 -3.9860 -1.5040 -1.5040 -1.5040 -1.5040 -1.4697 -1.4697 -1.4697 -1.4697 -1.4213 -1.4213 -1.4213 -1.4213 3.8325 3.8325 3.8325 3.8325 9.9413 9.9413 9.9413 9.9413 9.9614 9.9614 9.9614 9.9614 10.3650 10.3650 10.3650 10.3650 11.3905 11.3905 11.3905 11.3905 11.4123 11.4123 11.4123 11.4123 14.5447 14.5447 14.5447 14.5447 17.5788 17.5788 17.5788 17.5788 18.9345 18.9345 18.9345 18.9345 20.6488 20.6488 k = 0.5000 0.2887 0.3895 ( 3152 PWs) bands (ev): -3.9978 -3.9978 -3.9978 -3.9978 -3.9625 -3.9625 -3.9625 -3.9625 -1.5025 -1.5025 -1.5025 -1.5025 -1.4592 -1.4592 -1.4592 -1.4592 -1.3809 -1.3809 -1.3809 -1.3809 5.1688 5.1688 5.1688 5.1688 8.6593 8.6593 8.6593 8.6593 9.9153 9.9153 9.9153 9.9153 10.4808 10.4808 10.4808 10.4808 10.9476 10.9476 10.9476 10.9476 11.8312 11.8312 11.8312 11.8312 12.1436 12.1436 12.1436 12.1436 16.0269 16.0269 16.0269 16.0269 17.1427 17.1427 17.1427 17.1427 20.4208 20.4208 k = 0.5000 0.2887 0.3760 ( 3152 PWs) bands (ev): -3.9981 -3.9981 -3.9974 -3.9974 -3.9632 -3.9632 -3.9619 -3.9619 -1.5045 -1.5045 -1.5006 -1.5006 -1.4598 -1.4598 -1.4586 -1.4586 -1.3834 -1.3834 -1.3784 -1.3784 5.1618 5.1618 5.1744 5.1744 8.5951 8.5951 8.7246 8.7246 9.8897 9.8897 9.9311 9.9311 10.4491 10.4491 10.5198 10.5198 10.9446 10.9446 10.9579 10.9579 11.8200 11.8200 11.8426 11.8426 12.1398 12.1398 12.1510 12.1510 15.8964 15.8964 16.1576 16.1576 17.0553 17.0553 17.2293 17.2293 20.3350 20.3350 k = 0.5000 0.2887 0.3626 ( 3152 PWs) bands (ev): -3.9984 -3.9984 -3.9970 -3.9970 -3.9639 -3.9639 -3.9613 -3.9613 -1.5064 -1.5064 -1.4988 -1.4988 -1.4601 -1.4601 -1.4578 -1.4578 -1.3861 -1.3861 -1.3760 -1.3760 5.1533 5.1533 5.1787 5.1787 8.5321 8.5321 8.7910 8.7910 9.8574 9.8574 9.9342 9.9342 10.4291 10.4291 10.5614 10.5614 10.9480 10.9480 10.9766 10.9766 11.8089 11.8089 11.8540 11.8540 12.1395 12.1395 12.1619 12.1619 15.7668 15.7668 16.2871 16.2871 16.9684 16.9684 17.3147 17.3147 20.2316 20.2316 k = 0.5000 0.2887 0.3492 ( 3156 PWs) bands (ev): -3.9988 -3.9988 -3.9966 -3.9966 -3.9646 -3.9646 -3.9607 -3.9607 -1.5084 -1.5084 -1.4971 -1.4971 -1.4604 -1.4604 -1.4568 -1.4568 -1.3887 -1.3887 -1.3738 -1.3738 5.1434 5.1434 5.1816 5.1816 8.4705 8.4705 8.8582 8.8582 9.8209 9.8209 9.9231 9.9231 10.4230 10.4230 10.6016 10.6016 10.9571 10.9571 11.0051 11.0051 11.7982 11.7982 11.8656 11.8656 12.1427 12.1427 12.1762 12.1762 15.6384 15.6384 16.4118 16.4118 16.8852 16.8852 17.3990 17.3990 20.1138 20.1138 k = 0.5000 0.2887 0.3358 ( 3152 PWs) bands (ev): -3.9990 -3.9990 -3.9962 -3.9962 -3.9654 -3.9654 -3.9602 -3.9602 -1.5102 -1.5102 -1.4955 -1.4955 -1.4605 -1.4605 -1.4556 -1.4556 -1.3915 -1.3915 -1.3717 -1.3717 5.1322 5.1322 5.1831 5.1831 8.4103 8.4103 8.9259 8.9259 9.7818 9.7818 9.8989 9.8989 10.4301 10.4301 10.6376 10.6376 10.9714 10.9714 11.0442 11.0442 11.7878 11.7878 11.8773 11.8773 12.1492 12.1492 12.1939 12.1939 15.5115 15.5115 16.5177 16.5177 16.8193 16.8193 17.4820 17.4820 19.9852 19.9852 k = 0.5000 0.2887 0.3223 ( 3150 PWs) bands (ev): -3.9993 -3.9993 -3.9957 -3.9957 -3.9661 -3.9661 -3.9596 -3.9596 -1.5120 -1.5120 -1.4942 -1.4942 -1.4606 -1.4606 -1.4543 -1.4543 -1.3942 -1.3942 -1.3697 -1.3697 5.1197 5.1197 5.1835 5.1835 8.3516 8.3516 8.9940 8.9940 9.7415 9.7415 9.8648 9.8648 10.4473 10.4473 10.6686 10.6686 10.9903 10.9903 11.0936 11.0936 11.7782 11.7782 11.8893 11.8893 12.1588 12.1588 12.2149 12.2149 15.3863 15.3863 16.5558 16.5558 16.8195 16.8195 17.5638 17.5638 19.8492 19.8492 k = 0.5000 0.2887 0.3089 ( 3142 PWs) bands (ev): -3.9995 -3.9995 -3.9953 -3.9953 -3.9669 -3.9669 -3.9591 -3.9591 -1.5137 -1.5137 -1.4931 -1.4931 -1.4607 -1.4607 -1.4526 -1.4526 -1.3969 -1.3969 -1.3679 -1.3679 5.1060 5.1060 5.1827 5.1827 8.2945 8.2945 9.0620 9.0620 9.7008 9.7008 9.8246 9.8246 10.4709 10.4709 10.6955 10.6955 11.0134 11.0134 11.1520 11.1520 11.7696 11.7696 11.9015 11.9015 12.1711 12.1711 12.2393 12.2393 15.2629 15.2629 16.5031 16.5031 16.9085 16.9085 17.6442 17.6442 19.7090 19.7090 k = 0.5000 0.2887 0.2955 ( 3142 PWs) bands (ev): -3.9996 -3.9996 -3.9949 -3.9949 -3.9678 -3.9678 -3.9587 -3.9587 -1.5153 -1.5153 -1.4922 -1.4922 -1.4608 -1.4608 -1.4507 -1.4507 -1.3995 -1.3995 -1.3662 -1.3662 5.0911 5.0911 5.1809 5.1809 8.2390 8.2390 9.1295 9.1295 9.6607 9.6607 9.7812 9.7812 10.4974 10.4974 10.7200 10.7200 11.0401 11.0401 11.2169 11.2169 11.7625 11.7625 11.9140 11.9140 12.1859 12.1859 12.2669 12.2669 15.1413 15.1413 16.4149 16.4149 17.0307 17.0307 17.7231 17.7231 19.5680 19.5680 k = 0.5000 0.2887 0.2820 ( 3144 PWs) bands (ev): -3.9997 -3.9997 -3.9944 -3.9944 -3.9686 -3.9686 -3.9582 -3.9582 -1.5167 -1.5167 -1.4916 -1.4916 -1.4609 -1.4609 -1.4485 -1.4485 -1.4021 -1.4021 -1.3647 -1.3647 5.0752 5.0752 5.1781 5.1781 8.1852 8.1852 9.1957 9.1957 9.6217 9.6217 9.7367 9.7367 10.5241 10.5241 10.7444 10.7444 11.0702 11.0702 11.2863 11.2863 11.7574 11.7574 11.9268 11.9268 12.2025 12.2025 12.2977 12.2977 15.0217 15.0217 16.3149 16.3149 17.1621 17.1621 17.7996 17.7996 19.4295 19.4295 k = 0.5000 0.2887 0.2686 ( 3144 PWs) bands (ev): -3.9998 -3.9998 -3.9940 -3.9940 -3.9695 -3.9695 -3.9578 -3.9578 -1.5180 -1.5180 -1.4912 -1.4912 -1.4611 -1.4611 -1.4460 -1.4460 -1.4045 -1.4045 -1.3634 -1.3634 5.0585 5.0585 5.1745 5.1745 8.1330 8.1330 9.2594 9.2594 9.5849 9.5849 9.6929 9.6929 10.5491 10.5491 10.7703 10.7703 11.1032 11.1032 11.3578 11.3578 11.7551 11.7551 11.9398 11.9398 12.2207 12.2207 12.3317 12.3317 14.9042 14.9042 16.2092 16.2092 17.2962 17.2962 17.8723 17.8723 19.2973 19.2973 k = 0.5000 0.2887 0.2552 ( 3144 PWs) bands (ev): -3.9999 -3.9999 -3.9935 -3.9935 -3.9704 -3.9704 -3.9574 -3.9574 -1.5191 -1.5191 -1.4910 -1.4910 -1.4615 -1.4615 -1.4434 -1.4434 -1.4068 -1.4068 -1.3622 -1.3622 5.0411 5.0411 5.1702 5.1702 8.0827 8.0827 9.3184 9.3184 9.5522 9.5522 9.6509 9.6509 10.5711 10.5711 10.7992 10.7992 11.1384 11.1384 11.4297 11.4297 11.7568 11.7568 11.9530 11.9530 12.2400 12.2400 12.3687 12.3687 14.7888 14.7888 16.0997 16.0997 17.4307 17.4307 17.9386 17.9386 19.1764 19.1764 k = 0.5000 0.2887 0.2417 ( 3148 PWs) bands (ev): -3.9998 -3.9998 -3.9931 -3.9931 -3.9714 -3.9714 -3.9571 -3.9571 -1.5200 -1.5200 -1.4909 -1.4909 -1.4621 -1.4621 -1.4405 -1.4405 -1.4089 -1.4089 -1.3613 -1.3613 5.0232 5.0232 5.1653 5.1653 8.0343 8.0343 9.3667 9.3667 9.5278 9.5278 9.6128 9.6128 10.5898 10.5898 10.8316 10.8316 11.1750 11.1750 11.5000 11.5000 11.7640 11.7640 11.9663 11.9663 12.2601 12.2601 12.4081 12.4081 14.6757 14.6757 15.9874 15.9874 17.5644 17.5644 17.9939 17.9939 19.0735 19.0735 k = 0.5000 0.2887 0.2283 ( 3156 PWs) bands (ev): -3.9998 -3.9998 -3.9927 -3.9927 -3.9723 -3.9723 -3.9567 -3.9567 -1.5208 -1.5208 -1.4910 -1.4910 -1.4629 -1.4629 -1.4375 -1.4375 -1.4108 -1.4108 -1.3605 -1.3605 5.0048 5.0048 5.1599 5.1599 7.9878 7.9878 9.3915 9.3915 9.5181 9.5181 9.5851 9.5851 10.6054 10.6054 10.8677 10.8677 11.2119 11.2119 11.5662 11.5662 11.7792 11.7792 11.9798 11.9798 12.2805 12.2805 12.4496 12.4496 14.5650 14.5650 15.8729 15.8729 17.6961 17.6961 18.0312 18.0312 18.9978 18.9978 k = 0.5000 0.2887 0.2149 ( 3142 PWs) bands (ev): -3.9997 -3.9997 -3.9923 -3.9923 -3.9733 -3.9733 -3.9564 -3.9564 -1.5214 -1.5214 -1.4912 -1.4912 -1.4640 -1.4640 -1.4343 -1.4343 -1.4124 -1.4124 -1.3600 -1.3600 4.9863 4.9863 5.1541 5.1541 7.9433 7.9433 9.3864 9.3864 9.5070 9.5070 9.5902 9.5902 10.6184 10.6184 10.9071 10.9071 11.2478 11.2478 11.6256 11.6256 11.8056 11.8056 11.9935 11.9935 12.3012 12.3012 12.4923 12.4923 14.4568 14.4568 15.7567 15.7567 17.8243 17.8243 18.0431 18.0431 18.9592 18.9592 k = 0.5000 0.2887 0.2015 ( 3142 PWs) bands (ev): -3.9995 -3.9995 -3.9919 -3.9919 -3.9743 -3.9743 -3.9561 -3.9561 -1.5218 -1.5218 -1.4914 -1.4914 -1.4653 -1.4653 -1.4312 -1.4312 -1.4137 -1.4137 -1.3596 -1.3596 4.9678 4.9678 5.1481 5.1481 7.9009 7.9009 9.3657 9.3657 9.4806 9.4806 9.6274 9.6274 10.6294 10.6294 10.9496 10.9496 11.2813 11.2813 11.6766 11.6766 11.8449 11.8449 12.0077 12.0077 12.3219 12.3219 12.5354 12.5354 14.3512 14.3512 15.6393 15.6393 17.9408 17.9408 18.0329 18.0329 18.9639 18.9639 k = 0.5000 0.2887 0.1880 ( 3136 PWs) bands (ev): -3.9993 -3.9993 -3.9916 -3.9916 -3.9752 -3.9752 -3.9558 -3.9558 -1.5221 -1.5221 -1.4917 -1.4917 -1.4668 -1.4668 -1.4281 -1.4281 -1.4145 -1.4145 -1.3595 -1.3595 4.9494 4.9494 5.1419 5.1419 7.8607 7.8607 9.3405 9.3405 9.4510 9.4510 9.6735 9.6735 10.6389 10.6389 10.9948 10.9948 11.3110 11.3110 11.7213 11.7213 11.8947 11.8947 12.0232 12.0232 12.3427 12.3427 12.5781 12.5781 14.2483 14.2483 15.5212 15.5212 17.9545 17.9545 18.0948 18.0948 19.0098 19.0098 k = 0.5000 0.2887 0.1746 ( 3122 PWs) bands (ev): -3.9991 -3.9991 -3.9912 -3.9912 -3.9762 -3.9762 -3.9556 -3.9556 -1.5222 -1.5222 -1.4921 -1.4921 -1.4685 -1.4685 -1.4254 -1.4254 -1.4148 -1.4148 -1.3595 -1.3595 4.9314 4.9314 5.1357 5.1357 7.8229 7.8229 9.3146 9.3146 9.4223 9.4223 9.7202 9.7202 10.6475 10.6475 11.0425 11.0425 11.3362 11.3362 11.7642 11.7642 11.9474 11.9474 12.0428 12.0428 12.3637 12.3637 12.6193 12.6193 14.1485 14.1485 15.4028 15.4028 17.8906 17.8906 18.2125 18.2125 19.0886 19.0886 k = 0.5000 0.2887 0.1612 ( 3126 PWs) bands (ev): -3.9988 -3.9988 -3.9909 -3.9909 -3.9772 -3.9772 -3.9553 -3.9553 -1.5221 -1.5221 -1.4924 -1.4924 -1.4705 -1.4705 -1.4233 -1.4233 -1.4141 -1.4141 -1.3598 -1.3598 4.9140 4.9140 5.1296 5.1296 7.7874 7.7874 9.2894 9.2894 9.3953 9.3953 9.7648 9.7648 10.6552 10.6552 11.0923 11.0923 11.3565 11.3565 11.8089 11.8089 11.9917 11.9917 12.0735 12.0735 12.3854 12.3854 12.6582 12.6582 14.0517 14.0517 15.2849 15.2849 17.8119 17.8119 18.3332 18.3332 19.1913 19.1913 k = 0.5000 0.2887 0.1477 ( 3120 PWs) bands (ev): -3.9985 -3.9985 -3.9906 -3.9906 -3.9782 -3.9782 -3.9551 -3.9551 -1.5218 -1.5218 -1.4928 -1.4928 -1.4726 -1.4726 -1.4221 -1.4221 -1.4123 -1.4123 -1.3603 -1.3603 4.8972 4.8972 5.1236 5.1236 7.7543 7.7543 9.2657 9.2657 9.3705 9.3705 9.8062 9.8062 10.6625 10.6625 11.1440 11.1440 11.3723 11.3723 11.8564 11.8564 12.0195 12.0195 12.1197 12.1197 12.4087 12.4087 12.6940 12.6940 13.9584 13.9584 15.1680 15.1680 17.7287 17.7287 18.4541 18.4541 19.3108 19.3108 k = 0.5000 0.2887 0.1343 ( 3122 PWs) bands (ev): -3.9981 -3.9981 -3.9903 -3.9903 -3.9792 -3.9792 -3.9549 -3.9549 -1.5214 -1.5214 -1.4932 -1.4932 -1.4748 -1.4748 -1.4217 -1.4217 -1.4097 -1.4097 -1.3609 -1.3609 4.8813 4.8813 5.1178 5.1178 7.7239 7.7239 9.2436 9.2436 9.3479 9.3479 9.8438 9.8438 10.6693 10.6693 11.1969 11.1969 11.3844 11.3844 11.9060 11.9060 12.0373 12.0373 12.1723 12.1723 12.4352 12.4352 12.7260 12.7260 13.8688 13.8688 15.0527 15.0527 17.6462 17.6462 18.5752 18.5752 19.4418 19.4418 k = 0.5000 0.2887 0.1209 ( 3126 PWs) bands (ev): -3.9977 -3.9977 -3.9901 -3.9901 -3.9802 -3.9802 -3.9547 -3.9547 -1.5208 -1.5208 -1.4935 -1.4935 -1.4772 -1.4772 -1.4216 -1.4216 -1.4066 -1.4066 -1.3618 -1.3618 4.8664 4.8664 5.1123 5.1123 7.6961 7.6961 9.2233 9.2233 9.3276 9.3276 9.8775 9.8775 10.6756 10.6756 11.2500 11.2500 11.3944 11.3944 11.9546 11.9546 12.0534 12.0534 12.2216 12.2216 12.4671 12.4671 12.7539 12.7539 13.7833 13.7833 14.9401 14.9401 17.5676 17.5676 18.6971 18.6971 19.5795 19.5795 k = 0.5000 0.2887 0.1074 ( 3134 PWs) bands (ev): -3.9973 -3.9973 -3.9899 -3.9899 -3.9811 -3.9811 -3.9545 -3.9545 -1.5200 -1.5200 -1.4939 -1.4939 -1.4795 -1.4795 -1.4215 -1.4215 -1.4033 -1.4033 -1.3629 -1.3629 4.8526 4.8526 5.1073 5.1073 7.6710 7.6710 9.2050 9.2050 9.3095 9.3095 9.9071 9.9071 10.6816 10.6816 11.3012 11.3012 11.4044 11.4044 11.9949 11.9949 12.0758 12.0758 12.2623 12.2623 12.5063 12.5063 12.7777 12.7777 13.7022 13.7022 14.8310 14.8310 17.4947 17.4947 18.8201 18.8201 19.7083 19.7083 k = 0.5000 0.2887 0.0940 ( 3130 PWs) bands (ev): -3.9968 -3.9968 -3.9896 -3.9896 -3.9821 -3.9821 -3.9544 -3.9544 -1.5192 -1.5192 -1.4942 -1.4942 -1.4819 -1.4819 -1.4216 -1.4216 -1.4000 -1.4000 -1.3642 -1.3642 4.8402 4.8402 5.1026 5.1026 7.6486 7.6486 9.1888 9.1888 9.2936 9.2936 9.9327 9.9327 10.6870 10.6870 11.3448 11.3448 11.4199 11.4199 12.0181 12.0181 12.1128 12.1128 12.2925 12.2925 12.5525 12.5525 12.7975 12.7975 13.6261 13.6261 14.7266 14.7266 17.4290 17.4290 18.9444 18.9444 19.7319 19.7319 k = 0.5000 0.2887 0.0806 ( 3130 PWs) bands (ev): -3.9964 -3.9964 -3.9895 -3.9895 -3.9829 -3.9829 -3.9543 -3.9543 -1.5182 -1.5182 -1.4944 -1.4944 -1.4842 -1.4842 -1.4216 -1.4216 -1.3967 -1.3967 -1.3657 -1.3657 4.8292 4.8292 5.0985 5.0985 7.6292 7.6292 9.1746 9.1746 9.2800 9.2800 9.9544 9.9544 10.6919 10.6919 11.3712 11.3712 11.4502 11.4502 12.0271 12.0271 12.1593 12.1593 12.3138 12.3138 12.6030 12.6030 12.8143 12.8143 13.5558 13.5558 14.6285 14.6285 17.3713 17.3713 19.0694 19.0694 19.7152 19.7152 k = 0.5000 0.2887 0.0672 ( 3138 PWs) bands (ev): -3.9959 -3.9959 -3.9893 -3.9893 -3.9838 -3.9838 -3.9542 -3.9542 -1.5172 -1.5172 -1.4947 -1.4947 -1.4864 -1.4864 -1.4216 -1.4216 -1.3934 -1.3934 -1.3674 -1.3674 4.8197 4.8197 5.0949 5.0949 7.6126 7.6126 9.1626 9.1626 9.2685 9.2685 9.9724 9.9724 10.6962 10.6962 11.3823 11.3823 11.4925 11.4925 12.0288 12.0288 12.2061 12.2061 12.3292 12.3292 12.6529 12.6529 12.8291 12.8291 13.4921 13.4921 14.5384 14.5384 17.3221 17.3221 19.1939 19.1939 19.7009 19.7009 k = 0.5000 0.2887 0.0537 ( 3146 PWs) bands (ev): -3.9955 -3.9955 -3.9891 -3.9891 -3.9845 -3.9845 -3.9541 -3.9541 -1.5162 -1.5162 -1.4949 -1.4949 -1.4884 -1.4884 -1.4216 -1.4216 -1.3902 -1.3902 -1.3693 -1.3693 4.8118 4.8118 5.0919 5.0919 7.5990 7.5990 9.1527 9.1527 9.2591 9.2591 9.9867 9.9867 10.6999 10.6999 11.3869 11.3869 11.5365 11.5365 12.0264 12.0264 12.2465 12.2465 12.3432 12.3432 12.6971 12.6971 12.8438 12.8438 13.4363 13.4363 14.4586 14.4586 17.2816 17.2816 19.3145 19.3145 19.6936 19.6936 k = 0.5000 0.2887 0.0403 ( 3148 PWs) bands (ev): -3.9951 -3.9951 -3.9890 -3.9890 -3.9852 -3.9852 -3.9540 -3.9540 -1.5153 -1.5153 -1.4950 -1.4950 -1.4902 -1.4902 -1.4216 -1.4216 -1.3871 -1.3871 -1.3713 -1.3713 4.8056 4.8056 5.0896 5.0896 7.5883 7.5883 9.1450 9.1450 9.2519 9.2519 9.9977 9.9977 10.7028 10.7028 11.3891 11.3891 11.5764 11.5764 12.0215 12.0215 12.2750 12.2750 12.3597 12.3597 12.7308 12.7308 12.8600 12.8600 13.3900 13.3900 14.3919 14.3919 17.2501 17.2501 19.4232 19.4232 19.6988 19.6988 k = 0.5000 0.2887 0.0269 ( 3148 PWs) bands (ev): -3.9947 -3.9947 -3.9889 -3.9889 -3.9857 -3.9857 -3.9539 -3.9539 -1.5145 -1.5145 -1.4951 -1.4951 -1.4915 -1.4915 -1.4215 -1.4215 -1.3841 -1.3841 -1.3736 -1.3736 4.8011 4.8011 5.0879 5.0879 7.5807 7.5807 9.1395 9.1395 9.2467 9.2467 10.0055 10.0055 10.7049 10.7049 11.3902 11.3902 11.6085 11.6085 12.0157 12.0157 12.2903 12.2903 12.3786 12.3786 12.7522 12.7522 12.8768 12.8768 13.3551 13.3551 14.3411 14.3411 17.2276 17.2276 19.5038 19.5038 19.7265 19.7265 k = 0.5000 0.2887 0.0134 ( 3144 PWs) bands (ev): -3.9945 -3.9945 -3.9888 -3.9888 -3.9861 -3.9861 -3.9539 -3.9539 -1.5139 -1.5139 -1.4952 -1.4952 -1.4924 -1.4924 -1.4215 -1.4215 -1.3813 -1.3813 -1.3760 -1.3760 4.7984 4.7984 5.0869 5.0869 7.5761 7.5761 9.1362 9.1362 9.2436 9.2436 10.0101 10.0101 10.7062 10.7062 11.3908 11.3908 11.6295 11.6295 12.0110 12.0110 12.2968 12.2968 12.3936 12.3936 12.7630 12.7630 12.8899 12.8899 13.3332 13.3332 14.3091 14.3091 17.2141 17.2141 19.5443 19.5443 19.7738 19.7738 k = 0.5000 0.2887-0.0000 ( 3152 PWs) bands (ev): -3.9944 -3.9944 -3.9888 -3.9888 -3.9862 -3.9862 -3.9539 -3.9539 -1.5137 -1.5137 -1.4952 -1.4952 -1.4927 -1.4927 -1.4215 -1.4215 -1.3788 -1.3788 -1.3783 -1.3783 4.7975 4.7975 5.0865 5.0865 7.5746 7.5746 9.1351 9.1351 9.2426 9.2426 10.0116 10.0116 10.7066 10.7066 11.3909 11.3909 11.6368 11.6368 12.0092 12.0092 12.2985 12.2985 12.3993 12.3993 12.7662 12.7662 12.8948 12.8948 13.3257 13.3257 14.2982 14.2982 17.2096 17.2096 19.5548 19.5548 19.8001 19.8001 k = 0.3333 0.5774-0.0000 ( 3111 PWs) bands (ev): -4.0077 -4.0077 -3.9827 -3.9827 -3.9684 -3.9684 -3.9609 -3.9609 -1.5337 -1.5337 -1.4831 -1.4831 -1.4777 -1.4777 -1.4177 -1.4177 -1.3872 -1.3872 -1.3674 -1.3674 5.1818 5.1818 5.2788 5.2788 7.3533 7.3533 9.0460 9.0460 9.1184 9.1184 9.8172 9.8172 10.2608 10.2608 10.9396 10.9396 11.0904 11.0904 12.0198 12.0198 12.2680 12.2680 12.3889 12.3889 12.9340 12.9340 13.5987 13.5987 15.0954 15.0954 15.1030 15.1030 16.1894 16.1894 16.1960 16.1960 18.1787 18.1787 k = 0.3333 0.5774 0.0134 ( 3117 PWs) bands (ev): -4.0077 -4.0077 -3.9827 -3.9827 -3.9684 -3.9684 -3.9609 -3.9609 -1.5337 -1.5337 -1.4830 -1.4830 -1.4776 -1.4776 -1.4177 -1.4177 -1.3872 -1.3872 -1.3674 -1.3674 5.1821 5.1821 5.2789 5.2789 7.3561 7.3561 9.0467 9.0467 9.1189 9.1189 9.8185 9.8185 10.2605 10.2605 10.9395 10.9395 11.0895 11.0895 12.0177 12.0177 12.2655 12.2655 12.3905 12.3905 12.9333 12.9333 13.5882 13.5882 15.0785 15.0785 15.0878 15.0878 16.2099 16.2099 16.2169 16.2169 18.1889 18.1889 k = 0.3333 0.5774 0.0269 ( 3129 PWs) bands (ev): -4.0076 -4.0076 -3.9827 -3.9827 -3.9684 -3.9684 -3.9609 -3.9609 -1.5336 -1.5336 -1.4828 -1.4828 -1.4774 -1.4774 -1.4179 -1.4179 -1.3874 -1.3874 -1.3677 -1.3677 5.1827 5.1827 5.2794 5.2794 7.3645 7.3645 9.0485 9.0485 9.1204 9.1204 9.8221 9.8221 10.2598 10.2598 10.9392 10.9392 11.0870 11.0870 12.0114 12.0114 12.2580 12.2580 12.3952 12.3952 12.9313 12.9313 13.5572 13.5572 15.0312 15.0312 15.0456 15.0456 16.2681 16.2681 16.2761 16.2761 18.2192 18.2192 k = 0.3333 0.5774 0.0403 ( 3123 PWs) bands (ev): -4.0075 -4.0075 -3.9827 -3.9827 -3.9685 -3.9685 -3.9609 -3.9609 -1.5335 -1.5335 -1.4825 -1.4825 -1.4770 -1.4770 -1.4182 -1.4182 -1.3877 -1.3877 -1.3680 -1.3680 5.1838 5.1838 5.2803 5.2803 7.3784 7.3784 9.0517 9.0517 9.1227 9.1227 9.8282 9.8282 10.2585 10.2585 10.9387 10.9387 11.0829 11.0829 12.0010 12.0010 12.2459 12.2459 12.4026 12.4026 12.9280 12.9280 13.5065 13.5065 14.9614 14.9614 14.9836 14.9836 16.3567 16.3567 16.3658 16.3658 18.2689 18.2689 k = 0.3333 0.5774 0.0537 ( 3123 PWs) bands (ev): -4.0073 -4.0073 -3.9827 -3.9827 -3.9686 -3.9686 -3.9609 -3.9609 -1.5333 -1.5333 -1.4821 -1.4821 -1.4764 -1.4764 -1.4186 -1.4186 -1.3880 -1.3880 -1.3685 -1.3685 5.1853 5.1853 5.2814 5.2814 7.3978 7.3978 9.0560 9.0560 9.1260 9.1260 9.8367 9.8367 10.2567 10.2567 10.9380 10.9380 11.0771 11.0771 11.9868 11.9868 12.2296 12.2296 12.4122 12.4122 12.9234 12.9234 13.4378 13.4378 14.8772 14.8772 14.9090 14.9090 16.4680 16.4680 16.4779 16.4779 18.3367 18.3367 k = 0.3333 0.5774 0.0672 ( 3126 PWs) bands (ev): -4.0070 -4.0070 -3.9827 -3.9827 -3.9687 -3.9687 -3.9609 -3.9609 -1.5330 -1.5330 -1.4815 -1.4815 -1.4758 -1.4758 -1.4191 -1.4191 -1.3885 -1.3885 -1.3692 -1.3692 5.1872 5.1872 5.2828 5.2828 7.4228 7.4228 9.0615 9.0615 9.1302 9.1302 9.8475 9.8475 10.2545 10.2545 10.9371 10.9371 11.0698 11.0698 11.9688 11.9688 12.2091 12.2091 12.4238 12.4238 12.9177 12.9177 13.3529 13.3529 14.7845 14.7845 14.8275 14.8275 16.5958 16.5958 16.6062 16.6062 18.4212 18.4212 k = 0.3333 0.5774 0.0806 ( 3126 PWs) bands (ev): -4.0067 -4.0067 -3.9828 -3.9828 -3.9688 -3.9688 -3.9609 -3.9609 -1.5327 -1.5327 -1.4809 -1.4809 -1.4749 -1.4749 -1.4197 -1.4197 -1.3891 -1.3891 -1.3700 -1.3700 5.1895 5.1895 5.2845 5.2845 7.4533 7.4533 9.0682 9.0682 9.1352 9.1352 9.8607 9.8607 10.2520 10.2520 10.9359 10.9359 11.0611 11.0611 11.9473 11.9473 12.1847 12.1847 12.4370 12.4370 12.9109 12.9109 13.2542 13.2542 14.6877 14.6877 14.7429 14.7429 16.7361 16.7361 16.7466 16.7466 18.5205 18.5205 k = 0.3333 0.5774 0.0940 ( 3123 PWs) bands (ev): -4.0063 -4.0063 -3.9828 -3.9828 -3.9690 -3.9690 -3.9608 -3.9608 -1.5323 -1.5323 -1.4802 -1.4802 -1.4739 -1.4739 -1.4204 -1.4204 -1.3898 -1.3898 -1.3709 -1.3709 5.1921 5.1921 5.2865 5.2865 7.4893 7.4893 9.0760 9.0760 9.1410 9.1410 9.8762 9.8762 10.2491 10.2491 10.9343 10.9343 11.0510 11.0510 11.9225 11.9225 12.1562 12.1562 12.4517 12.4517 12.9032 12.9032 13.1440 13.1440 14.5893 14.5893 14.6573 14.6573 16.8859 16.8859 16.8963 16.8963 18.6329 18.6329 k = 0.3333 0.5774 0.1074 ( 3123 PWs) bands (ev): -4.0059 -4.0059 -3.9828 -3.9828 -3.9691 -3.9691 -3.9608 -3.9608 -1.5319 -1.5319 -1.4794 -1.4794 -1.4728 -1.4728 -1.4212 -1.4212 -1.3907 -1.3907 -1.3719 -1.3719 5.1951 5.1951 5.2888 5.2888 7.5307 7.5307 9.0849 9.0849 9.1476 9.1476 9.8938 9.8938 10.2459 10.2459 10.9324 10.9324 11.0397 11.0397 11.8946 11.8946 12.1235 12.1235 12.4676 12.4676 12.8947 12.8947 13.0248 13.0248 14.4912 14.4912 14.5723 14.5723 17.0435 17.0435 17.0533 17.0533 18.7566 18.7566 k = 0.3333 0.5774 0.1209 ( 3117 PWs) bands (ev): -4.0054 -4.0054 -3.9829 -3.9829 -3.9693 -3.9693 -3.9608 -3.9608 -1.5313 -1.5313 -1.4786 -1.4786 -1.4716 -1.4716 -1.4220 -1.4220 -1.3916 -1.3916 -1.3730 -1.3730 5.1984 5.1984 5.2913 5.2913 7.5774 7.5774 9.0947 9.0947 9.1548 9.1548 9.9137 9.9137 10.2425 10.2425 10.9300 10.9300 11.0273 11.0273 11.8637 11.8637 12.0862 12.0862 12.4845 12.4845 12.8856 12.8856 12.8994 12.8994 14.3946 14.3946 14.4887 14.4887 17.2074 17.2074 17.2165 17.2165 18.8899 18.8899 k = 0.3333 0.5774 0.1343 ( 3120 PWs) bands (ev): -4.0049 -4.0049 -3.9829 -3.9829 -3.9695 -3.9695 -3.9608 -3.9608 -1.5307 -1.5307 -1.4778 -1.4778 -1.4702 -1.4702 -1.4229 -1.4229 -1.3926 -1.3926 -1.3743 -1.3743 5.2019 5.2019 5.2939 5.2939 7.6296 7.6296 9.1054 9.1054 9.1626 9.1626 9.9355 9.9355 10.2390 10.2390 10.9273 10.9273 11.0139 11.0139 11.8301 11.8301 12.0438 12.0438 12.5015 12.5015 12.7711 12.7711 12.8761 12.8761 14.3002 14.3002 14.4069 14.4069 17.3768 17.3768 17.3849 17.3849 19.0311 19.0311 k = 0.3333 0.5774 0.1477 ( 3126 PWs) bands (ev): -4.0044 -4.0044 -3.9830 -3.9830 -3.9697 -3.9697 -3.9608 -3.9608 -1.5300 -1.5300 -1.4770 -1.4770 -1.4687 -1.4687 -1.4238 -1.4238 -1.3937 -1.3937 -1.3756 -1.3756 5.2056 5.2056 5.2967 5.2967 7.6870 7.6870 9.1170 9.1170 9.1708 9.1708 9.9593 9.9593 10.2355 10.2355 10.9240 10.9240 10.9996 10.9996 11.7937 11.7937 11.9954 11.9954 12.5145 12.5145 12.6471 12.6471 12.8663 12.8663 14.2087 14.2087 14.3273 14.3273 17.5508 17.5508 17.5578 17.5578 19.1788 19.1788 k = 0.3333 0.5774 0.1612 ( 3126 PWs) bands (ev): -4.0038 -4.0038 -3.9830 -3.9830 -3.9700 -3.9700 -3.9608 -3.9608 -1.5292 -1.5292 -1.4762 -1.4762 -1.4671 -1.4671 -1.4247 -1.4247 -1.3950 -1.3950 -1.3770 -1.3770 5.2095 5.2095 5.2997 5.2997 7.7497 7.7497 9.1292 9.1292 9.1795 9.1795 9.9849 9.9849 10.2320 10.2320 10.9202 10.9202 10.9846 10.9846 11.7541 11.7541 11.9397 11.9397 12.4810 12.4810 12.5730 12.5730 12.8566 12.8566 14.1204 14.1204 14.2501 14.2501 17.7289 17.7289 17.7345 17.7345 19.3314 19.3314 k = 0.3333 0.5774 0.1746 ( 3129 PWs) bands (ev): -4.0032 -4.0032 -3.9830 -3.9830 -3.9702 -3.9702 -3.9608 -3.9608 -1.5284 -1.5284 -1.4754 -1.4754 -1.4653 -1.4653 -1.4256 -1.4256 -1.3963 -1.3963 -1.3785 -1.3785 5.2136 5.2136 5.3027 5.3027 7.8175 7.8175 9.1421 9.1421 9.1885 9.1885 10.0122 10.0122 10.2287 10.2287 10.9159 10.9159 10.9690 10.9690 11.7103 11.7103 11.8755 11.8755 12.3738 12.3738 12.5804 12.5804 12.8469 12.8469 14.0356 14.0356 14.1754 14.1754 17.9107 17.9107 17.9147 17.9147 19.4876 19.4876 k = 0.3333 0.5774 0.1880 ( 3129 PWs) bands (ev): -4.0026 -4.0026 -3.9831 -3.9831 -3.9704 -3.9704 -3.9608 -3.9608 -1.5274 -1.5274 -1.4748 -1.4748 -1.4635 -1.4635 -1.4264 -1.4264 -1.3977 -1.3977 -1.3800 -1.3800 5.2177 5.2177 5.3059 5.3059 7.8904 7.8904 9.1555 9.1555 9.1977 9.1977 10.0410 10.0410 10.2255 10.2255 10.9111 10.9111 10.9529 10.9529 11.6590 11.6590 11.8035 11.8035 12.2653 12.2653 12.6008 12.6008 12.8377 12.8377 13.9546 13.9546 14.1033 14.1033 18.0955 18.0955 18.0978 18.0978 19.6460 19.6460 k = 0.3333 0.5774 0.2015 ( 3141 PWs) bands (ev): -4.0020 -4.0020 -3.9831 -3.9831 -3.9707 -3.9707 -3.9608 -3.9608 -1.5264 -1.5264 -1.4743 -1.4743 -1.4616 -1.4616 -1.4272 -1.4272 -1.3992 -1.3992 -1.3815 -1.3815 5.2219 5.2219 5.3090 5.3090 7.9683 7.9683 9.1693 9.1693 9.2070 9.2070 10.0710 10.0710 10.2225 10.2225 10.9057 10.9057 10.9364 10.9364 11.5922 11.5922 11.7302 11.7302 12.1686 12.1686 12.6242 12.6242 12.8290 12.8290 13.8776 13.8776 14.0337 14.0337 18.2831 18.2831 18.2835 18.2835 19.8055 19.8055 k = 0.3333 0.5774 0.2149 ( 3147 PWs) bands (ev): -4.0014 -4.0014 -3.9832 -3.9832 -3.9709 -3.9709 -3.9608 -3.9608 -1.5253 -1.5253 -1.4740 -1.4740 -1.4595 -1.4595 -1.4278 -1.4278 -1.4008 -1.4008 -1.3832 -1.3832 5.2261 5.2261 5.3121 5.3121 8.0511 8.0511 9.1833 9.1833 9.2163 9.2163 10.1021 10.1021 10.2199 10.2199 10.8999 10.8999 10.9196 10.9196 11.5001 11.5001 11.6665 11.6665 12.0858 12.0858 12.6490 12.6490 12.8210 12.8210 13.8046 13.8046 13.9668 13.9668 18.4711 18.4711 18.4728 18.4728 19.9646 19.9646 k = 0.3333 0.5774 0.2283 ( 3144 PWs) bands (ev): -4.0007 -4.0007 -3.9832 -3.9832 -3.9712 -3.9712 -3.9609 -3.9609 -1.5241 -1.5241 -1.4738 -1.4738 -1.4574 -1.4574 -1.4283 -1.4283 -1.4025 -1.4025 -1.3848 -1.3848 5.2302 5.2302 5.3152 5.3152 8.1387 8.1387 9.1974 9.1974 9.2255 9.2255 10.1338 10.1338 10.2177 10.2177 10.8936 10.8936 10.9025 10.9025 11.3840 11.3840 11.6147 11.6147 12.0150 12.0150 12.6749 12.6749 12.8139 12.8139 13.7358 13.7358 13.9026 13.9026 18.6602 18.6602 18.6642 18.6642 20.1222 20.1222 k = 0.3333 0.5774 0.2417 ( 3135 PWs) bands (ev): -4.0001 -4.0001 -3.9833 -3.9833 -3.9714 -3.9714 -3.9609 -3.9609 -1.5228 -1.5228 -1.4739 -1.4739 -1.4552 -1.4552 -1.4286 -1.4286 -1.4043 -1.4043 -1.3864 -1.3864 5.2343 5.2343 5.3183 5.3183 8.2309 8.2309 9.2115 9.2115 9.2344 9.2344 10.1657 10.1657 10.2158 10.2158 10.8853 10.8853 10.8870 10.8870 11.2528 11.2528 11.5702 11.5702 11.9538 11.9538 12.7016 12.7016 12.8079 12.8079 13.6714 13.6714 13.8411 13.8411 18.8503 18.8503 18.8565 18.8565 20.2769 20.2769 k = 0.3333 0.5774 0.2552 ( 3141 PWs) bands (ev): -3.9995 -3.9995 -3.9833 -3.9833 -3.9717 -3.9717 -3.9609 -3.9609 -1.5214 -1.5214 -1.4742 -1.4742 -1.4530 -1.4530 -1.4288 -1.4288 -1.4062 -1.4062 -1.3881 -1.3881 5.2381 5.2381 5.3212 5.3212 8.3276 8.3276 9.2253 9.2253 9.2429 9.2429 10.1970 10.1970 10.2144 10.2144 10.8680 10.8680 10.8801 10.8801 11.1138 11.1138 11.5301 11.5301 11.8997 11.8997 12.7289 12.7289 12.8030 12.8030 13.6114 13.6114 13.7824 13.7824 19.0405 19.0405 19.0490 19.0490 20.4276 20.4276 k = 0.3333 0.5774 0.2686 ( 3156 PWs) bands (ev): -3.9989 -3.9989 -3.9834 -3.9834 -3.9719 -3.9719 -3.9610 -3.9610 -1.5201 -1.5201 -1.4747 -1.4747 -1.4507 -1.4507 -1.4287 -1.4287 -1.4081 -1.4081 -1.3897 -1.3897 5.2418 5.2418 5.3239 5.3239 8.4285 8.4285 9.2388 9.2388 9.2510 9.2510 10.2133 10.2133 10.2265 10.2265 10.8502 10.8502 10.8731 10.8731 10.9723 10.9723 11.4932 11.4932 11.8513 11.8513 12.7565 12.7565 12.7992 12.7992 13.5559 13.5559 13.7266 13.7266 19.2300 19.2300 19.2405 19.2405 20.5732 20.5732 k = 0.3333 0.5774 0.2820 ( 3156 PWs) bands (ev): -3.9984 -3.9984 -3.9834 -3.9834 -3.9721 -3.9721 -3.9610 -3.9610 -1.5187 -1.5187 -1.4753 -1.4753 -1.4484 -1.4484 -1.4285 -1.4285 -1.4101 -1.4101 -1.3912 -1.3912 5.2452 5.2452 5.3264 5.3264 8.5335 8.5335 9.2518 9.2518 9.2585 9.2585 10.2127 10.2127 10.2520 10.2520 10.8209 10.8209 10.8438 10.8438 10.8662 10.8662 11.4593 11.4593 11.8077 11.8077 12.7843 12.7843 12.7966 12.7966 13.5052 13.5052 13.6739 13.6739 19.4176 19.4176 19.4296 19.4296 20.7129 20.7129 k = 0.3333 0.5774 0.2955 ( 3156 PWs) bands (ev): -3.9978 -3.9978 -3.9834 -3.9834 -3.9723 -3.9723 -3.9611 -3.9611 -1.5173 -1.5173 -1.4761 -1.4761 -1.4460 -1.4460 -1.4282 -1.4282 -1.4122 -1.4122 -1.3928 -1.3928 5.2483 5.2483 5.3288 5.3288 8.6421 8.6421 9.2643 9.2643 9.2653 9.2653 10.2123 10.2123 10.2682 10.2682 10.6973 10.6973 10.8178 10.8178 10.8594 10.8594 11.4283 11.4283 11.7685 11.7685 12.7951 12.7951 12.8118 12.8118 13.4594 13.4594 13.6245 13.6245 19.6017 19.6017 19.6143 19.6143 20.8464 20.8464 k = 0.3333 0.5774 0.3089 ( 3162 PWs) bands (ev): -3.9974 -3.9974 -3.9835 -3.9835 -3.9725 -3.9725 -3.9611 -3.9611 -1.5159 -1.5159 -1.4771 -1.4771 -1.4436 -1.4436 -1.4277 -1.4277 -1.4144 -1.4144 -1.3942 -1.3942 5.2511 5.2511 5.3309 5.3309 8.7537 8.7537 9.2715 9.2715 9.2764 9.2764 10.2123 10.2123 10.2623 10.2623 10.5873 10.5873 10.8001 10.8001 10.8531 10.8531 11.4004 11.4004 11.7338 11.7338 12.7946 12.7946 12.8387 12.8387 13.4188 13.4188 13.5789 13.5789 19.7801 19.7801 19.7917 19.7917 20.9741 20.9741 k = 0.3333 0.5774 0.3223 ( 3135 PWs) bands (ev): -3.9969 -3.9969 -3.9835 -3.9835 -3.9727 -3.9727 -3.9611 -3.9611 -1.5146 -1.5146 -1.4780 -1.4780 -1.4411 -1.4411 -1.4271 -1.4271 -1.4165 -1.4165 -1.3955 -1.3955 5.2535 5.2535 5.3327 5.3327 8.8674 8.8674 9.2768 9.2768 9.2884 9.2884 10.2120 10.2120 10.2124 10.2124 10.5216 10.5216 10.7830 10.7830 10.8473 10.8473 11.3761 11.3761 11.7036 11.7036 12.7949 12.7949 12.8643 12.8643 13.3835 13.3835 13.5375 13.5375 19.9497 19.9497 19.9581 19.9581 21.0978 21.0978 k = 0.3333 0.5774 0.3358 ( 3129 PWs) bands (ev): -3.9966 -3.9966 -3.9835 -3.9835 -3.9729 -3.9729 -3.9612 -3.9612 -1.5134 -1.5134 -1.4790 -1.4790 -1.4387 -1.4387 -1.4266 -1.4266 -1.4188 -1.4188 -1.3966 -1.3966 5.2555 5.2555 5.3342 5.3342 8.9809 8.9809 9.2812 9.2812 9.3014 9.3014 10.1148 10.1148 10.2127 10.2127 10.5031 10.5031 10.7665 10.7665 10.8422 10.8422 11.3556 11.3556 11.6782 11.6782 12.7958 12.7958 12.8878 12.8878 13.3540 13.3540 13.5012 13.5012 20.1060 20.1060 20.1082 20.1082 21.2202 21.2202 k = 0.3333 0.5774 0.3492 ( 3129 PWs) bands (ev): -3.9963 -3.9963 -3.9835 -3.9835 -3.9730 -3.9730 -3.9612 -3.9612 -1.5124 -1.5124 -1.4799 -1.4799 -1.4363 -1.4363 -1.4261 -1.4261 -1.4210 -1.4210 -1.3976 -1.3976 5.2571 5.2571 5.3354 5.3354 9.0891 9.0891 9.2847 9.2847 9.3193 9.3193 9.9955 9.9955 10.2130 10.2130 10.5080 10.5080 10.7512 10.7512 10.8381 10.8381 11.3392 11.3392 11.6581 11.6581 12.7969 12.7969 12.9081 12.9081 13.3306 13.3306 13.4709 13.4709 20.2354 20.2354 20.2429 20.2429 21.3455 21.3455 k = 0.3333 0.5774 0.3626 ( 3129 PWs) bands (ev): -3.9961 -3.9961 -3.9836 -3.9836 -3.9731 -3.9731 -3.9612 -3.9612 -1.5116 -1.5116 -1.4805 -1.4805 -1.4340 -1.4340 -1.4257 -1.4257 -1.4232 -1.4232 -1.3983 -1.3983 5.2583 5.2583 5.3363 5.3363 9.1779 9.1779 9.2872 9.2872 9.3526 9.3526 9.8729 9.8729 10.2133 10.2133 10.5191 10.5191 10.7382 10.7382 10.8350 10.8350 11.3272 11.3272 11.6434 11.6434 12.7980 12.7980 12.9241 12.9241 13.3135 13.3135 13.4478 13.4478 20.3328 20.3328 20.3520 20.3520 21.4776 21.4776 k = 0.3333 0.5774 0.3760 ( 3138 PWs) bands (ev): -3.9960 -3.9960 -3.9836 -3.9836 -3.9731 -3.9731 -3.9612 -3.9612 -1.5111 -1.5111 -1.4810 -1.4810 -1.4319 -1.4319 -1.4254 -1.4254 -1.4253 -1.4253 -1.3988 -1.3988 5.2590 5.2590 5.3368 5.3368 9.2265 9.2265 9.2887 9.2887 9.4116 9.4116 9.7636 9.7636 10.2135 10.2135 10.5286 10.5286 10.7292 10.7292 10.8331 10.8331 11.3199 11.3199 11.6345 11.6345 12.7987 12.7987 12.9344 12.9344 13.3032 13.3032 13.4333 13.4333 20.3940 20.3940 20.4234 20.4234 21.6161 21.6161 k = 0.3333 0.5774 0.3895 ( 3138 PWs) bands (ev): -3.9959 -3.9959 -3.9836 -3.9836 -3.9732 -3.9732 -3.9612 -3.9612 -1.5109 -1.5109 -1.4811 -1.4811 -1.4308 -1.4308 -1.4263 -1.4263 -1.4253 -1.4253 -1.3989 -1.3989 5.2592 5.2592 5.3370 5.3370 9.2393 9.2393 9.2892 9.2892 9.4520 9.4520 9.7096 9.7096 10.2136 10.2136 10.5323 10.5323 10.7259 10.7259 10.8325 10.8325 11.3174 11.3174 11.6315 11.6315 12.7990 12.7990 12.9380 12.9380 13.2997 13.2997 13.4283 13.4283 20.4148 20.4148 20.4484 20.4484 21.7139 21.7139 Writing output data file PtPb.save init_run : 0.28s CPU 0.43s WALL ( 1 calls) electrons : 193.91s CPU 196.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 193.90s CPU 196.88s 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 : 0.02s CPU 0.04s WALL ( 332 calls) cegterg : 181.72s CPU 184.10s WALL ( 644 calls) Called by sum_band: Called by *egterg: h_psi : 92.60s CPU 94.35s WALL ( 10568 calls) s_psi : 6.66s CPU 6.87s WALL ( 10568 calls) g_psi : 0.26s CPU 0.27s WALL ( 9592 calls) cdiaghg : 72.74s CPU 73.14s WALL ( 9924 calls) cegterg:over : 6.98s CPU 7.04s WALL ( 9592 calls) cegterg:upda : 5.07s CPU 5.30s WALL ( 9592 calls) cegterg:last : 3.59s CPU 3.63s WALL ( 1640 calls) cdiaghg:chol : 4.03s CPU 3.99s WALL ( 9924 calls) cdiaghg:inve : 2.64s CPU 2.76s WALL ( 9924 calls) cdiaghg:para : 4.29s CPU 4.44s WALL ( 19848 calls) Called by h_psi: h_psi:vloc : 77.63s CPU 79.41s WALL ( 10568 calls) h_psi:vnl : 14.70s CPU 14.66s WALL ( 10568 calls) add_vuspsi : 7.68s CPU 7.84s WALL ( 10568 calls) General routines calbec : 6.97s CPU 6.79s WALL ( 10568 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 72.18s CPU 73.71s WALL ( 1107700 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.31s WALL ( 664 calls) Parallel routines fft_scatter : 28.06s CPU 28.61s WALL ( 1107723 calls) PWSCF : 3m29.26s CPU 3m48.16s WALL This run was terminated on: 21: 8:55 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=