Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:57:34 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: ./HfSiTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 20 6 1786 1094 180 Max 29 21 7 1802 1119 187 Sum 1009 741 221 64663 39749 6561 bravais-lattice index = 14 lattice parameter (alat) = 6.9353 a.u. unit-cell volume = 884.3852 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.935294 celldm(2)= 1.000000 celldm(3)= 2.651226 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.651226 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.377184 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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 Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Hf 12.00 178.49000 Hf( 1.00) Te 6.00 127.60000 Te( 1.00) Si 4.00 28.08550 Si( 1.00) 16 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 =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0028249 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0028249 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0028249 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0028249 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0028249 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0028249 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0028249 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0028249 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0028249 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0028249 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0028249 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0028249 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0028249 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0028249 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0028249 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0028249 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0028249 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0028249 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0028249 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0028249 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0028249 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0028249 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0028249 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0028249 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0028249 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0028249 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0028249 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0028249 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0028249 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0028249 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0028249 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0028249 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0028249 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0028249 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0028249 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0028249 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0028249 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0028249 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0028249 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0028249 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0028249 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0028249 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0028249 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0028249 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0028249 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0028249 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0028249 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0028249 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0028249 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0028249 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0028249 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0028249 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0028249 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0028249 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0028249 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0028249 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0028249 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0028249 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0028249 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0028249 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0028249 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0028249 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0028249 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0028249 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0028249 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0028249 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0028249 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0028249 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0028249 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0028249 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0028249 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0028249 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0028249 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0028249 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 90) = ( 0.4918033 0.4918033 -0.0000000), wk = 0.0028249 k( 91) = ( 0.4836066 0.4836066 -0.0000000), wk = 0.0028249 k( 92) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0028249 k( 93) = ( 0.4672131 0.4672131 -0.0000000), wk = 0.0028249 k( 94) = ( 0.4590164 0.4590164 -0.0000000), wk = 0.0028249 k( 95) = ( 0.4508197 0.4508197 -0.0000000), wk = 0.0028249 k( 96) = ( 0.4426230 0.4426229 -0.0000000), wk = 0.0028249 k( 97) = ( 0.4344262 0.4344262 -0.0000000), wk = 0.0028249 k( 98) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0028249 k( 99) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0028249 k( 100) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0028249 k( 101) = ( 0.4016393 0.4016393 -0.0000000), wk = 0.0028249 k( 102) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0028249 k( 103) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0028249 k( 104) = ( 0.3770492 0.3770492 -0.0000000), wk = 0.0028249 k( 105) = ( 0.3688525 0.3688525 -0.0000000), wk = 0.0028249 k( 106) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0028249 k( 107) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0028249 k( 108) = ( 0.3442623 0.3442623 -0.0000000), wk = 0.0028249 k( 109) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0028249 k( 110) = ( 0.3278688 0.3278688 -0.0000000), wk = 0.0028249 k( 111) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0028249 k( 112) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0028249 k( 113) = ( 0.3032787 0.3032787 -0.0000000), wk = 0.0028249 k( 114) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0028249 k( 115) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0028249 k( 116) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0028249 k( 117) = ( 0.2704918 0.2704918 -0.0000000), wk = 0.0028249 k( 118) = ( 0.2622951 0.2622951 -0.0000000), wk = 0.0028249 k( 119) = ( 0.2540984 0.2540984 -0.0000000), wk = 0.0028249 k( 120) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0028249 k( 121) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0028249 k( 122) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0028249 k( 123) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0028249 k( 124) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0028249 k( 125) = ( 0.2049180 0.2049180 -0.0000000), wk = 0.0028249 k( 126) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0028249 k( 127) = ( 0.1885246 0.1885246 -0.0000000), wk = 0.0028249 k( 128) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0028249 k( 129) = ( 0.1721312 0.1721311 -0.0000000), wk = 0.0028249 k( 130) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0028249 k( 131) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0028249 k( 132) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0028249 k( 133) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0028249 k( 134) = ( 0.1311475 0.1311475 -0.0000000), wk = 0.0028249 k( 135) = ( 0.1229508 0.1229508 -0.0000000), wk = 0.0028249 k( 136) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0028249 k( 137) = ( 0.1065574 0.1065574 -0.0000000), wk = 0.0028249 k( 138) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0028249 k( 139) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0028249 k( 140) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0028249 k( 141) = ( 0.0737705 0.0737705 -0.0000000), wk = 0.0028249 k( 142) = ( 0.0655738 0.0655738 -0.0000000), wk = 0.0028249 k( 143) = ( 0.0573770 0.0573770 -0.0000000), wk = 0.0028249 k( 144) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0028249 k( 145) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0028249 k( 146) = ( 0.0327869 0.0327869 -0.0000000), wk = 0.0028249 k( 147) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0028249 k( 148) = ( 0.0163934 0.0163934 -0.0000000), wk = 0.0028249 k( 149) = ( 0.0081967 0.0081967 -0.0000000), wk = 0.0028249 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.0110936), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.0221873), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.0332809), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.0443746), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.0554682), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.0665619), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.0776555), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.0887492), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.0998428), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.1109365), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.1220301), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.1331238), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.1442174), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.1553110), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.1664047), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.1774983), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.1885920), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.1885920), wk = 0.0028249 k( 170) = ( 0.0000000 0.0116279 0.1885920), wk = 0.0028249 k( 171) = ( 0.0000000 0.0232558 0.1885920), wk = 0.0028249 k( 172) = ( 0.0000000 0.0348837 0.1885920), wk = 0.0028249 k( 173) = ( 0.0000000 0.0465116 0.1885920), wk = 0.0028249 k( 174) = ( 0.0000000 0.0581395 0.1885920), wk = 0.0028249 k( 175) = ( 0.0000000 0.0697674 0.1885920), wk = 0.0028249 k( 176) = ( 0.0000000 0.0813954 0.1885920), wk = 0.0028249 k( 177) = ( 0.0000000 0.0930233 0.1885920), wk = 0.0028249 k( 178) = ( 0.0000000 0.1046512 0.1885920), wk = 0.0028249 k( 179) = ( 0.0000000 0.1162791 0.1885920), wk = 0.0028249 k( 180) = ( 0.0000000 0.1279070 0.1885920), wk = 0.0028249 k( 181) = ( 0.0000000 0.1395349 0.1885920), wk = 0.0028249 k( 182) = ( 0.0000000 0.1511628 0.1885920), wk = 0.0028249 k( 183) = ( 0.0000000 0.1627907 0.1885920), wk = 0.0028249 k( 184) = ( 0.0000000 0.1744186 0.1885920), wk = 0.0028249 k( 185) = ( 0.0000000 0.1860465 0.1885920), wk = 0.0028249 k( 186) = ( 0.0000000 0.1976744 0.1885920), wk = 0.0028249 k( 187) = ( 0.0000000 0.2093023 0.1885920), wk = 0.0028249 k( 188) = ( 0.0000000 0.2209302 0.1885920), wk = 0.0028249 k( 189) = ( 0.0000000 0.2325581 0.1885920), wk = 0.0028249 k( 190) = ( 0.0000000 0.2441860 0.1885920), wk = 0.0028249 k( 191) = ( 0.0000000 0.2558140 0.1885920), wk = 0.0028249 k( 192) = ( 0.0000000 0.2674419 0.1885920), wk = 0.0028249 k( 193) = ( 0.0000000 0.2790698 0.1885920), wk = 0.0028249 k( 194) = ( 0.0000000 0.2906977 0.1885920), wk = 0.0028249 k( 195) = ( 0.0000000 0.3023256 0.1885920), wk = 0.0028249 k( 196) = ( 0.0000000 0.3139535 0.1885920), wk = 0.0028249 k( 197) = ( 0.0000000 0.3255814 0.1885920), wk = 0.0028249 k( 198) = ( 0.0000000 0.3372093 0.1885920), wk = 0.0028249 k( 199) = ( 0.0000000 0.3488372 0.1885920), wk = 0.0028249 k( 200) = ( 0.0000000 0.3604651 0.1885920), wk = 0.0028249 k( 201) = ( 0.0000000 0.3720930 0.1885920), wk = 0.0028249 k( 202) = ( 0.0000000 0.3837209 0.1885920), wk = 0.0028249 k( 203) = ( 0.0000000 0.3953488 0.1885920), wk = 0.0028249 k( 204) = ( 0.0000000 0.4069767 0.1885920), wk = 0.0028249 k( 205) = ( 0.0000000 0.4186047 0.1885920), wk = 0.0028249 k( 206) = ( 0.0000000 0.4302326 0.1885920), wk = 0.0028249 k( 207) = ( 0.0000000 0.4418605 0.1885920), wk = 0.0028249 k( 208) = ( 0.0000000 0.4534884 0.1885920), wk = 0.0028249 k( 209) = ( 0.0000000 0.4651163 0.1885920), wk = 0.0028249 k( 210) = ( 0.0000000 0.4767442 0.1885920), wk = 0.0028249 k( 211) = ( 0.0000000 0.4883721 0.1885920), wk = 0.0028249 k( 212) = ( 0.0000000 0.5000000 0.1885920), wk = 0.0028249 k( 213) = ( 0.0000000 0.5000000 0.1885920), wk = 0.0028249 k( 214) = ( 0.0116279 0.5000000 0.1885920), wk = 0.0028249 k( 215) = ( 0.0232558 0.5000000 0.1885920), wk = 0.0028249 k( 216) = ( 0.0348837 0.5000000 0.1885920), wk = 0.0028249 k( 217) = ( 0.0465116 0.5000000 0.1885920), wk = 0.0028249 k( 218) = ( 0.0581395 0.5000000 0.1885920), wk = 0.0028249 k( 219) = ( 0.0697674 0.5000000 0.1885920), wk = 0.0028249 k( 220) = ( 0.0813954 0.5000000 0.1885920), wk = 0.0028249 k( 221) = ( 0.0930233 0.5000000 0.1885920), wk = 0.0028249 k( 222) = ( 0.1046512 0.5000000 0.1885920), wk = 0.0028249 k( 223) = ( 0.1162791 0.5000000 0.1885920), wk = 0.0028249 k( 224) = ( 0.1279070 0.5000000 0.1885920), wk = 0.0028249 k( 225) = ( 0.1395349 0.5000000 0.1885920), wk = 0.0028249 k( 226) = ( 0.1511628 0.5000000 0.1885920), wk = 0.0028249 k( 227) = ( 0.1627907 0.5000000 0.1885920), wk = 0.0028249 k( 228) = ( 0.1744186 0.5000000 0.1885920), wk = 0.0028249 k( 229) = ( 0.1860465 0.5000000 0.1885920), wk = 0.0028249 k( 230) = ( 0.1976744 0.5000000 0.1885920), wk = 0.0028249 k( 231) = ( 0.2093023 0.5000000 0.1885920), wk = 0.0028249 k( 232) = ( 0.2209302 0.5000000 0.1885920), wk = 0.0028249 k( 233) = ( 0.2325581 0.5000000 0.1885920), wk = 0.0028249 k( 234) = ( 0.2441860 0.5000000 0.1885920), wk = 0.0028249 k( 235) = ( 0.2558140 0.5000000 0.1885920), wk = 0.0028249 k( 236) = ( 0.2674419 0.5000000 0.1885920), wk = 0.0028249 k( 237) = ( 0.2790698 0.5000000 0.1885920), wk = 0.0028249 k( 238) = ( 0.2906977 0.5000000 0.1885920), wk = 0.0028249 k( 239) = ( 0.3023256 0.5000000 0.1885920), wk = 0.0028249 k( 240) = ( 0.3139535 0.5000000 0.1885920), wk = 0.0028249 k( 241) = ( 0.3255814 0.5000000 0.1885920), wk = 0.0028249 k( 242) = ( 0.3372093 0.5000000 0.1885920), wk = 0.0028249 k( 243) = ( 0.3488372 0.5000000 0.1885920), wk = 0.0028249 k( 244) = ( 0.3604651 0.5000000 0.1885920), wk = 0.0028249 k( 245) = ( 0.3720930 0.5000000 0.1885920), wk = 0.0028249 k( 246) = ( 0.3837209 0.5000000 0.1885920), wk = 0.0028249 k( 247) = ( 0.3953488 0.5000000 0.1885920), wk = 0.0028249 k( 248) = ( 0.4069767 0.5000000 0.1885920), wk = 0.0028249 k( 249) = ( 0.4186047 0.5000000 0.1885920), wk = 0.0028249 k( 250) = ( 0.4302326 0.5000000 0.1885920), wk = 0.0028249 k( 251) = ( 0.4418605 0.5000000 0.1885920), wk = 0.0028249 k( 252) = ( 0.4534884 0.5000000 0.1885920), wk = 0.0028249 k( 253) = ( 0.4651163 0.5000000 0.1885920), wk = 0.0028249 k( 254) = ( 0.4767442 0.5000000 0.1885920), wk = 0.0028249 k( 255) = ( 0.4883721 0.5000000 0.1885920), wk = 0.0028249 k( 256) = ( 0.5000000 0.5000000 0.1885920), wk = 0.0028249 k( 257) = ( 0.5000000 0.5000000 0.1885920), wk = 0.0028249 k( 258) = ( 0.4918033 0.4918033 0.1885920), wk = 0.0028249 k( 259) = ( 0.4836066 0.4836066 0.1885920), wk = 0.0028249 k( 260) = ( 0.4754098 0.4754098 0.1885920), wk = 0.0028249 k( 261) = ( 0.4672131 0.4672131 0.1885920), wk = 0.0028249 k( 262) = ( 0.4590164 0.4590164 0.1885920), wk = 0.0028249 k( 263) = ( 0.4508197 0.4508197 0.1885920), wk = 0.0028249 k( 264) = ( 0.4426230 0.4426229 0.1885920), wk = 0.0028249 k( 265) = ( 0.4344262 0.4344262 0.1885920), wk = 0.0028249 k( 266) = ( 0.4262295 0.4262295 0.1885920), wk = 0.0028249 k( 267) = ( 0.4180328 0.4180328 0.1885920), wk = 0.0028249 k( 268) = ( 0.4098361 0.4098361 0.1885920), wk = 0.0028249 k( 269) = ( 0.4016393 0.4016393 0.1885920), wk = 0.0028249 k( 270) = ( 0.3934426 0.3934426 0.1885920), wk = 0.0028249 k( 271) = ( 0.3852459 0.3852459 0.1885920), wk = 0.0028249 k( 272) = ( 0.3770492 0.3770492 0.1885920), wk = 0.0028249 k( 273) = ( 0.3688525 0.3688525 0.1885920), wk = 0.0028249 k( 274) = ( 0.3606557 0.3606557 0.1885920), wk = 0.0028249 k( 275) = ( 0.3524590 0.3524590 0.1885920), wk = 0.0028249 k( 276) = ( 0.3442623 0.3442623 0.1885920), wk = 0.0028249 k( 277) = ( 0.3360656 0.3360656 0.1885920), wk = 0.0028249 k( 278) = ( 0.3278688 0.3278688 0.1885920), wk = 0.0028249 k( 279) = ( 0.3196721 0.3196721 0.1885920), wk = 0.0028249 k( 280) = ( 0.3114754 0.3114754 0.1885920), wk = 0.0028249 k( 281) = ( 0.3032787 0.3032787 0.1885920), wk = 0.0028249 k( 282) = ( 0.2950820 0.2950820 0.1885920), wk = 0.0028249 k( 283) = ( 0.2868852 0.2868852 0.1885920), wk = 0.0028249 k( 284) = ( 0.2786885 0.2786885 0.1885920), wk = 0.0028249 k( 285) = ( 0.2704918 0.2704918 0.1885920), wk = 0.0028249 k( 286) = ( 0.2622951 0.2622951 0.1885920), wk = 0.0028249 k( 287) = ( 0.2540984 0.2540984 0.1885920), wk = 0.0028249 k( 288) = ( 0.2459016 0.2459016 0.1885920), wk = 0.0028249 k( 289) = ( 0.2377049 0.2377049 0.1885920), wk = 0.0028249 k( 290) = ( 0.2295082 0.2295082 0.1885920), wk = 0.0028249 k( 291) = ( 0.2213115 0.2213115 0.1885920), wk = 0.0028249 k( 292) = ( 0.2131147 0.2131147 0.1885920), wk = 0.0028249 k( 293) = ( 0.2049180 0.2049180 0.1885920), wk = 0.0028249 k( 294) = ( 0.1967213 0.1967213 0.1885920), wk = 0.0028249 k( 295) = ( 0.1885246 0.1885246 0.1885920), wk = 0.0028249 k( 296) = ( 0.1803279 0.1803279 0.1885920), wk = 0.0028249 k( 297) = ( 0.1721312 0.1721311 0.1885920), wk = 0.0028249 k( 298) = ( 0.1639344 0.1639344 0.1885920), wk = 0.0028249 k( 299) = ( 0.1557377 0.1557377 0.1885920), wk = 0.0028249 k( 300) = ( 0.1475410 0.1475410 0.1885920), wk = 0.0028249 k( 301) = ( 0.1393443 0.1393443 0.1885920), wk = 0.0028249 k( 302) = ( 0.1311475 0.1311475 0.1885920), wk = 0.0028249 k( 303) = ( 0.1229508 0.1229508 0.1885920), wk = 0.0028249 k( 304) = ( 0.1147541 0.1147541 0.1885920), wk = 0.0028249 k( 305) = ( 0.1065574 0.1065574 0.1885920), wk = 0.0028249 k( 306) = ( 0.0983607 0.0983607 0.1885920), wk = 0.0028249 k( 307) = ( 0.0901639 0.0901639 0.1885920), wk = 0.0028249 k( 308) = ( 0.0819672 0.0819672 0.1885920), wk = 0.0028249 k( 309) = ( 0.0737705 0.0737705 0.1885920), wk = 0.0028249 k( 310) = ( 0.0655738 0.0655738 0.1885920), wk = 0.0028249 k( 311) = ( 0.0573770 0.0573770 0.1885920), wk = 0.0028249 k( 312) = ( 0.0491803 0.0491803 0.1885920), wk = 0.0028249 k( 313) = ( 0.0409836 0.0409836 0.1885920), wk = 0.0028249 k( 314) = ( 0.0327869 0.0327869 0.1885920), wk = 0.0028249 k( 315) = ( 0.0245902 0.0245902 0.1885920), wk = 0.0028249 k( 316) = ( 0.0163934 0.0163934 0.1885920), wk = 0.0028249 k( 317) = ( 0.0081967 0.0081967 0.1885920), wk = 0.0028249 k( 318) = ( 0.0000000 0.0000000 0.1885920), wk = 0.0028249 k( 319) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.5000000 0.0110936), wk = 0.0028249 k( 321) = ( 0.0000000 0.5000000 0.0221873), wk = 0.0028249 k( 322) = ( 0.0000000 0.5000000 0.0332809), wk = 0.0028249 k( 323) = ( 0.0000000 0.5000000 0.0443746), wk = 0.0028249 k( 324) = ( 0.0000000 0.5000000 0.0554682), wk = 0.0028249 k( 325) = ( 0.0000000 0.5000000 0.0665619), wk = 0.0028249 k( 326) = ( 0.0000000 0.5000000 0.0776555), wk = 0.0028249 k( 327) = ( 0.0000000 0.5000000 0.0887492), wk = 0.0028249 k( 328) = ( 0.0000000 0.5000000 0.0998428), wk = 0.0028249 k( 329) = ( 0.0000000 0.5000000 0.1109365), wk = 0.0028249 k( 330) = ( 0.0000000 0.5000000 0.1220301), wk = 0.0028249 k( 331) = ( 0.0000000 0.5000000 0.1331238), wk = 0.0028249 k( 332) = ( 0.0000000 0.5000000 0.1442174), wk = 0.0028249 k( 333) = ( 0.0000000 0.5000000 0.1553110), wk = 0.0028249 k( 334) = ( 0.0000000 0.5000000 0.1664047), wk = 0.0028249 k( 335) = ( 0.0000000 0.5000000 0.1774983), wk = 0.0028249 k( 336) = ( 0.0000000 0.5000000 0.1885920), wk = 0.0028249 k( 337) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 338) = ( 0.5000000 0.5000000 0.0110936), wk = 0.0028249 k( 339) = ( 0.5000000 0.5000000 0.0221873), wk = 0.0028249 k( 340) = ( 0.5000000 0.5000000 0.0332809), wk = 0.0028249 k( 341) = ( 0.5000000 0.5000000 0.0443746), wk = 0.0028249 k( 342) = ( 0.5000000 0.5000000 0.0554682), wk = 0.0028249 k( 343) = ( 0.5000000 0.5000000 0.0665619), wk = 0.0028249 k( 344) = ( 0.5000000 0.5000000 0.0776555), wk = 0.0028249 k( 345) = ( 0.5000000 0.5000000 0.0887492), wk = 0.0028249 k( 346) = ( 0.5000000 0.5000000 0.0998428), wk = 0.0028249 k( 347) = ( 0.5000000 0.5000000 0.1109365), wk = 0.0028249 k( 348) = ( 0.5000000 0.5000000 0.1220301), wk = 0.0028249 k( 349) = ( 0.5000000 0.5000000 0.1331238), wk = 0.0028249 k( 350) = ( 0.5000000 0.5000000 0.1442174), wk = 0.0028249 k( 351) = ( 0.5000000 0.5000000 0.1553110), wk = 0.0028249 k( 352) = ( 0.5000000 0.5000000 0.1664047), wk = 0.0028249 k( 353) = ( 0.5000000 0.5000000 0.1774983), wk = 0.0028249 k( 354) = ( 0.5000000 0.5000000 0.1885920), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0028249 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0028249 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0028249 k( 14) = ( 0.0000000 0.1511628 0.0000000), wk = 0.0028249 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0028249 k( 16) = ( 0.0000000 0.1744186 0.0000000), wk = 0.0028249 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0028249 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0028249 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0028249 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0028249 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0028249 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0028249 k( 23) = ( 0.0000000 0.2558140 0.0000000), wk = 0.0028249 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0028249 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0028249 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0028249 k( 27) = ( 0.0000000 0.3023256 0.0000000), wk = 0.0028249 k( 28) = ( 0.0000000 0.3139535 0.0000000), wk = 0.0028249 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0028249 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0028249 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0028249 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0028249 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0028249 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0028249 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0028249 k( 36) = ( 0.0000000 0.4069767 0.0000000), wk = 0.0028249 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0028249 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0028249 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0028249 k( 40) = ( 0.0000000 0.4534884 0.0000000), wk = 0.0028249 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0028249 k( 42) = ( 0.0000000 0.4767442 0.0000000), wk = 0.0028249 k( 43) = ( 0.0000000 0.4883721 0.0000000), wk = 0.0028249 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0028249 k( 47) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0028249 k( 48) = ( 0.0348837 0.5000000 0.0000000), wk = 0.0028249 k( 49) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0028249 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0028249 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0028249 k( 52) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0028249 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0028249 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0028249 k( 56) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0028249 k( 57) = ( 0.1395349 0.5000000 0.0000000), wk = 0.0028249 k( 58) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0028249 k( 59) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0028249 k( 60) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0028249 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0028249 k( 62) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0028249 k( 63) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0028249 k( 64) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0028249 k( 65) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0028249 k( 66) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0028249 k( 67) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0028249 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0028249 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0028249 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0028249 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0028249 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0028249 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0028249 k( 74) = ( 0.3372093 0.5000000 0.0000000), wk = 0.0028249 k( 75) = ( 0.3488372 0.5000000 0.0000000), wk = 0.0028249 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0028249 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0028249 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0028249 k( 79) = ( 0.3953488 0.5000000 0.0000000), wk = 0.0028249 k( 80) = ( 0.4069767 0.5000000 0.0000000), wk = 0.0028249 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0028249 k( 82) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0028249 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0028249 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0028249 k( 85) = ( 0.4651163 0.5000000 0.0000000), wk = 0.0028249 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0028249 k( 87) = ( 0.4883721 0.5000000 0.0000000), wk = 0.0028249 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 90) = ( 0.4918033 0.4918033 -0.0000000), wk = 0.0028249 k( 91) = ( 0.4836066 0.4836066 -0.0000000), wk = 0.0028249 k( 92) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0028249 k( 93) = ( 0.4672131 0.4672131 0.0000000), wk = 0.0028249 k( 94) = ( 0.4590164 0.4590164 0.0000000), wk = 0.0028249 k( 95) = ( 0.4508197 0.4508197 -0.0000000), wk = 0.0028249 k( 96) = ( 0.4426230 0.4426230 -0.0000000), wk = 0.0028249 k( 97) = ( 0.4344262 0.4344262 0.0000000), wk = 0.0028249 k( 98) = ( 0.4262295 0.4262295 0.0000000), wk = 0.0028249 k( 99) = ( 0.4180328 0.4180328 0.0000000), wk = 0.0028249 k( 100) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0028249 k( 101) = ( 0.4016393 0.4016393 0.0000000), wk = 0.0028249 k( 102) = ( 0.3934426 0.3934426 0.0000000), wk = 0.0028249 k( 103) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0028249 k( 104) = ( 0.3770492 0.3770492 -0.0000000), wk = 0.0028249 k( 105) = ( 0.3688525 0.3688525 0.0000000), wk = 0.0028249 k( 106) = ( 0.3606557 0.3606557 0.0000000), wk = 0.0028249 k( 107) = ( 0.3524590 0.3524590 0.0000000), wk = 0.0028249 k( 108) = ( 0.3442623 0.3442623 0.0000000), wk = 0.0028249 k( 109) = ( 0.3360656 0.3360656 0.0000000), wk = 0.0028249 k( 110) = ( 0.3278688 0.3278688 0.0000000), wk = 0.0028249 k( 111) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0028249 k( 112) = ( 0.3114754 0.3114754 0.0000000), wk = 0.0028249 k( 113) = ( 0.3032787 0.3032787 0.0000000), wk = 0.0028249 k( 114) = ( 0.2950820 0.2950820 0.0000000), wk = 0.0028249 k( 115) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0028249 k( 116) = ( 0.2786885 0.2786885 0.0000000), wk = 0.0028249 k( 117) = ( 0.2704918 0.2704918 0.0000000), wk = 0.0028249 k( 118) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0028249 k( 119) = ( 0.2540984 0.2540984 0.0000000), wk = 0.0028249 k( 120) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0028249 k( 121) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0028249 k( 122) = ( 0.2295082 0.2295082 0.0000000), wk = 0.0028249 k( 123) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0028249 k( 124) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0028249 k( 125) = ( 0.2049180 0.2049180 0.0000000), wk = 0.0028249 k( 126) = ( 0.1967213 0.1967213 0.0000000), wk = 0.0028249 k( 127) = ( 0.1885246 0.1885246 -0.0000000), wk = 0.0028249 k( 128) = ( 0.1803279 0.1803279 0.0000000), wk = 0.0028249 k( 129) = ( 0.1721312 0.1721312 0.0000000), wk = 0.0028249 k( 130) = ( 0.1639344 0.1639344 0.0000000), wk = 0.0028249 k( 131) = ( 0.1557377 0.1557377 0.0000000), wk = 0.0028249 k( 132) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0028249 k( 133) = ( 0.1393443 0.1393443 0.0000000), wk = 0.0028249 k( 134) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0028249 k( 135) = ( 0.1229508 0.1229508 -0.0000000), wk = 0.0028249 k( 136) = ( 0.1147541 0.1147541 0.0000000), wk = 0.0028249 k( 137) = ( 0.1065574 0.1065574 0.0000000), wk = 0.0028249 k( 138) = ( 0.0983607 0.0983607 0.0000000), wk = 0.0028249 k( 139) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0028249 k( 140) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0028249 k( 141) = ( 0.0737705 0.0737705 -0.0000000), wk = 0.0028249 k( 142) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0028249 k( 143) = ( 0.0573770 0.0573770 0.0000000), wk = 0.0028249 k( 144) = ( 0.0491803 0.0491803 0.0000000), wk = 0.0028249 k( 145) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0028249 k( 146) = ( 0.0327869 0.0327869 0.0000000), wk = 0.0028249 k( 147) = ( 0.0245902 0.0245902 0.0000000), wk = 0.0028249 k( 148) = ( 0.0163934 0.0163934 0.0000000), wk = 0.0028249 k( 149) = ( 0.0081967 0.0081967 0.0000000), wk = 0.0028249 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 170) = ( 0.0000000 0.0116279 0.5000000), wk = 0.0028249 k( 171) = ( 0.0000000 0.0232558 0.5000000), wk = 0.0028249 k( 172) = ( 0.0000000 0.0348837 0.5000000), wk = 0.0028249 k( 173) = ( 0.0000000 0.0465116 0.5000000), wk = 0.0028249 k( 174) = ( 0.0000000 0.0581395 0.5000000), wk = 0.0028249 k( 175) = ( 0.0000000 0.0697674 0.5000000), wk = 0.0028249 k( 176) = ( 0.0000000 0.0813954 0.5000000), wk = 0.0028249 k( 177) = ( 0.0000000 0.0930233 0.5000000), wk = 0.0028249 k( 178) = ( 0.0000000 0.1046512 0.5000000), wk = 0.0028249 k( 179) = ( 0.0000000 0.1162791 0.5000000), wk = 0.0028249 k( 180) = ( 0.0000000 0.1279070 0.5000000), wk = 0.0028249 k( 181) = ( 0.0000000 0.1395349 0.5000000), wk = 0.0028249 k( 182) = ( 0.0000000 0.1511628 0.5000000), wk = 0.0028249 k( 183) = ( 0.0000000 0.1627907 0.5000000), wk = 0.0028249 k( 184) = ( 0.0000000 0.1744186 0.5000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.1860465 0.5000000), wk = 0.0028249 k( 186) = ( 0.0000000 0.1976744 0.5000000), wk = 0.0028249 k( 187) = ( 0.0000000 0.2093023 0.5000000), wk = 0.0028249 k( 188) = ( 0.0000000 0.2209302 0.5000000), wk = 0.0028249 k( 189) = ( 0.0000000 0.2325581 0.5000000), wk = 0.0028249 k( 190) = ( 0.0000000 0.2441860 0.5000000), wk = 0.0028249 k( 191) = ( 0.0000000 0.2558140 0.5000000), wk = 0.0028249 k( 192) = ( 0.0000000 0.2674419 0.5000000), wk = 0.0028249 k( 193) = ( 0.0000000 0.2790698 0.5000000), wk = 0.0028249 k( 194) = ( 0.0000000 0.2906977 0.5000000), wk = 0.0028249 k( 195) = ( 0.0000000 0.3023256 0.5000000), wk = 0.0028249 k( 196) = ( 0.0000000 0.3139535 0.5000000), wk = 0.0028249 k( 197) = ( 0.0000000 0.3255814 0.5000000), wk = 0.0028249 k( 198) = ( 0.0000000 0.3372093 0.5000000), wk = 0.0028249 k( 199) = ( 0.0000000 0.3488372 0.5000000), wk = 0.0028249 k( 200) = ( 0.0000000 0.3604651 0.5000000), wk = 0.0028249 k( 201) = ( 0.0000000 0.3720930 0.5000000), wk = 0.0028249 k( 202) = ( 0.0000000 0.3837209 0.5000000), wk = 0.0028249 k( 203) = ( 0.0000000 0.3953488 0.5000000), wk = 0.0028249 k( 204) = ( 0.0000000 0.4069767 0.5000000), wk = 0.0028249 k( 205) = ( 0.0000000 0.4186047 0.5000000), wk = 0.0028249 k( 206) = ( 0.0000000 0.4302326 0.5000000), wk = 0.0028249 k( 207) = ( 0.0000000 0.4418605 0.5000000), wk = 0.0028249 k( 208) = ( 0.0000000 0.4534884 0.5000000), wk = 0.0028249 k( 209) = ( 0.0000000 0.4651163 0.5000000), wk = 0.0028249 k( 210) = ( 0.0000000 0.4767442 0.5000000), wk = 0.0028249 k( 211) = ( 0.0000000 0.4883721 0.5000000), wk = 0.0028249 k( 212) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 213) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 214) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0028249 k( 215) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0028249 k( 216) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0028249 k( 217) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0028249 k( 218) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0028249 k( 219) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0028249 k( 220) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0028249 k( 221) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0028249 k( 222) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0028249 k( 223) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0028249 k( 224) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0028249 k( 225) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0028249 k( 226) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0028249 k( 227) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0028249 k( 228) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0028249 k( 229) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0028249 k( 230) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0028249 k( 231) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0028249 k( 232) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0028249 k( 233) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0028249 k( 234) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0028249 k( 235) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0028249 k( 236) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0028249 k( 237) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0028249 k( 238) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0028249 k( 239) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0028249 k( 240) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0028249 k( 241) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0028249 k( 242) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0028249 k( 243) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0028249 k( 244) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0028249 k( 245) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0028249 k( 246) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0028249 k( 247) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0028249 k( 248) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0028249 k( 249) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0028249 k( 250) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0028249 k( 251) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0028249 k( 252) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0028249 k( 253) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0028249 k( 254) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0028249 k( 255) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0028249 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 258) = ( 0.4918033 0.4918033 0.5000000), wk = 0.0028249 k( 259) = ( 0.4836066 0.4836066 0.5000000), wk = 0.0028249 k( 260) = ( 0.4754098 0.4754098 0.5000000), wk = 0.0028249 k( 261) = ( 0.4672131 0.4672131 0.5000000), wk = 0.0028249 k( 262) = ( 0.4590164 0.4590164 0.5000000), wk = 0.0028249 k( 263) = ( 0.4508197 0.4508197 0.5000000), wk = 0.0028249 k( 264) = ( 0.4426230 0.4426230 0.5000000), wk = 0.0028249 k( 265) = ( 0.4344262 0.4344262 0.5000000), wk = 0.0028249 k( 266) = ( 0.4262295 0.4262295 0.5000000), wk = 0.0028249 k( 267) = ( 0.4180328 0.4180328 0.5000000), wk = 0.0028249 k( 268) = ( 0.4098361 0.4098361 0.5000000), wk = 0.0028249 k( 269) = ( 0.4016393 0.4016393 0.5000000), wk = 0.0028249 k( 270) = ( 0.3934426 0.3934426 0.5000000), wk = 0.0028249 k( 271) = ( 0.3852459 0.3852459 0.5000000), wk = 0.0028249 k( 272) = ( 0.3770492 0.3770492 0.5000000), wk = 0.0028249 k( 273) = ( 0.3688525 0.3688525 0.5000000), wk = 0.0028249 k( 274) = ( 0.3606557 0.3606557 0.5000000), wk = 0.0028249 k( 275) = ( 0.3524590 0.3524590 0.5000000), wk = 0.0028249 k( 276) = ( 0.3442623 0.3442623 0.5000000), wk = 0.0028249 k( 277) = ( 0.3360656 0.3360656 0.5000000), wk = 0.0028249 k( 278) = ( 0.3278688 0.3278688 0.5000000), wk = 0.0028249 k( 279) = ( 0.3196721 0.3196721 0.5000000), wk = 0.0028249 k( 280) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0028249 k( 281) = ( 0.3032787 0.3032787 0.5000000), wk = 0.0028249 k( 282) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0028249 k( 283) = ( 0.2868852 0.2868852 0.5000000), wk = 0.0028249 k( 284) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0028249 k( 285) = ( 0.2704918 0.2704918 0.5000000), wk = 0.0028249 k( 286) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0028249 k( 287) = ( 0.2540984 0.2540984 0.5000000), wk = 0.0028249 k( 288) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0028249 k( 289) = ( 0.2377049 0.2377049 0.5000000), wk = 0.0028249 k( 290) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0028249 k( 291) = ( 0.2213115 0.2213115 0.5000000), wk = 0.0028249 k( 292) = ( 0.2131147 0.2131147 0.5000000), wk = 0.0028249 k( 293) = ( 0.2049180 0.2049180 0.5000000), wk = 0.0028249 k( 294) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0028249 k( 295) = ( 0.1885246 0.1885246 0.5000000), wk = 0.0028249 k( 296) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0028249 k( 297) = ( 0.1721312 0.1721312 0.5000000), wk = 0.0028249 k( 298) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0028249 k( 299) = ( 0.1557377 0.1557377 0.5000000), wk = 0.0028249 k( 300) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0028249 k( 301) = ( 0.1393443 0.1393443 0.5000000), wk = 0.0028249 k( 302) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0028249 k( 303) = ( 0.1229508 0.1229508 0.5000000), wk = 0.0028249 k( 304) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0028249 k( 305) = ( 0.1065574 0.1065574 0.5000000), wk = 0.0028249 k( 306) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0028249 k( 307) = ( 0.0901639 0.0901639 0.5000000), wk = 0.0028249 k( 308) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0028249 k( 309) = ( 0.0737705 0.0737705 0.5000000), wk = 0.0028249 k( 310) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0028249 k( 311) = ( 0.0573770 0.0573770 0.5000000), wk = 0.0028249 k( 312) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0028249 k( 313) = ( 0.0409836 0.0409836 0.5000000), wk = 0.0028249 k( 314) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0028249 k( 315) = ( 0.0245902 0.0245902 0.5000000), wk = 0.0028249 k( 316) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0028249 k( 317) = ( 0.0081967 0.0081967 0.5000000), wk = 0.0028249 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 319) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0028249 k( 321) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0028249 k( 322) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0028249 k( 323) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0028249 k( 324) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0028249 k( 325) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0028249 k( 326) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0028249 k( 327) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0028249 k( 328) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0028249 k( 329) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0028249 k( 330) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0028249 k( 331) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0028249 k( 332) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0028249 k( 333) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0028249 k( 334) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0028249 k( 335) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0028249 k( 336) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 337) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 338) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0028249 k( 339) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0028249 k( 340) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0028249 k( 341) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0028249 k( 342) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0028249 k( 343) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0028249 k( 344) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0028249 k( 345) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0028249 k( 346) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0028249 k( 347) = ( 0.5000000 0.5000000 0.2941176), wk = 0.0028249 k( 348) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0028249 k( 349) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0028249 k( 350) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0028249 k( 351) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0028249 k( 352) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0028249 k( 353) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0028249 k( 354) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 Dense grid: 64663 G-vectors FFT dimensions: ( 40, 40, 96) Smooth grid: 39749 G-vectors FFT dimensions: ( 32, 32, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 282, 52) NL pseudopotentials 0.44 Mb ( 141, 204) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1798) G-vector shells 0.01 Mb ( 884) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.90 Mb ( 282, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.32 Mb ( 204, 2, 52) The potential is recalculated from file : ./HfSiTe.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 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.6 secs Computing kpt #: 11 total cpu time spent up to now is 9.0 secs Computing kpt #: 12 total cpu time spent up to now is 9.5 secs Computing kpt #: 13 total cpu time spent up to now is 10.0 secs Computing kpt #: 14 total cpu time spent up to now is 10.5 secs Computing kpt #: 15 total cpu time spent up to now is 11.2 secs Computing kpt #: 16 total cpu time spent up to now is 11.8 secs Computing kpt #: 17 total cpu time spent up to now is 12.4 secs Computing kpt #: 18 total cpu time spent up to now is 13.4 secs Computing kpt #: 19 total cpu time spent up to now is 14.6 secs Computing kpt #: 20 total cpu time spent up to now is 15.4 secs Computing kpt #: 21 total cpu time spent up to now is 16.2 secs Computing kpt #: 22 total cpu time spent up to now is 17.0 secs Computing kpt #: 23 total cpu time spent up to now is 17.7 secs Computing kpt #: 24 total cpu time spent up to now is 18.5 secs Computing kpt #: 25 total cpu time spent up to now is 19.2 secs Computing kpt #: 26 total cpu time spent up to now is 20.0 secs Computing kpt #: 27 total cpu time spent up to now is 20.7 secs Computing kpt #: 28 total cpu time spent up to now is 21.5 secs Computing kpt #: 29 total cpu time spent up to now is 22.1 secs Computing kpt #: 30 total cpu time spent up to now is 22.7 secs Computing kpt #: 31 total cpu time spent up to now is 23.3 secs Computing kpt #: 32 total cpu time spent up to now is 23.9 secs Computing kpt #: 33 total cpu time spent up to now is 24.5 secs Computing kpt #: 34 total cpu time spent up to now is 25.1 secs Computing kpt #: 35 total cpu time spent up to now is 25.6 secs Computing kpt #: 36 total cpu time spent up to now is 26.2 secs Computing kpt #: 37 total cpu time spent up to now is 26.8 secs Computing kpt #: 38 total cpu time spent up to now is 27.3 secs Computing kpt #: 39 total cpu time spent up to now is 27.9 secs Computing kpt #: 40 total cpu time spent up to now is 28.5 secs Computing kpt #: 41 total cpu time spent up to now is 29.3 secs Computing kpt #: 42 total cpu time spent up to now is 30.0 secs Computing kpt #: 43 total cpu time spent up to now is 30.6 secs Computing kpt #: 44 total cpu time spent up to now is 31.2 secs Computing kpt #: 45 total cpu time spent up to now is 31.8 secs Computing kpt #: 46 total cpu time spent up to now is 32.5 secs Computing kpt #: 47 total cpu time spent up to now is 33.1 secs Computing kpt #: 48 total cpu time spent up to now is 33.7 secs Computing kpt #: 49 total cpu time spent up to now is 34.3 secs Computing kpt #: 50 total cpu time spent up to now is 34.9 secs Computing kpt #: 51 total cpu time spent up to now is 35.4 secs Computing kpt #: 52 total cpu time spent up to now is 36.0 secs Computing kpt #: 53 total cpu time spent up to now is 36.6 secs Computing kpt #: 54 total cpu time spent up to now is 37.1 secs Computing kpt #: 55 total cpu time spent up to now is 37.6 secs Computing kpt #: 56 total cpu time spent up to now is 38.1 secs Computing kpt #: 57 total cpu time spent up to now is 38.6 secs Computing kpt #: 58 total cpu time spent up to now is 39.1 secs Computing kpt #: 59 total cpu time spent up to now is 39.6 secs Computing kpt #: 60 total cpu time spent up to now is 40.2 secs Computing kpt #: 61 total cpu time spent up to now is 40.7 secs Computing kpt #: 62 total cpu time spent up to now is 41.3 secs Computing kpt #: 63 total cpu time spent up to now is 41.9 secs Computing kpt #: 64 total cpu time spent up to now is 42.4 secs Computing kpt #: 65 total cpu time spent up to now is 43.1 secs Computing kpt #: 66 total cpu time spent up to now is 43.7 secs Computing kpt #: 67 total cpu time spent up to now is 44.3 secs Computing kpt #: 68 total cpu time spent up to now is 44.9 secs Computing kpt #: 69 total cpu time spent up to now is 45.4 secs Computing kpt #: 70 total cpu time spent up to now is 46.0 secs Computing kpt #: 71 total cpu time spent up to now is 46.5 secs Computing kpt #: 72 total cpu time spent up to now is 47.1 secs Computing kpt #: 73 total cpu time spent up to now is 47.6 secs Computing kpt #: 74 total cpu time spent up to now is 48.2 secs Computing kpt #: 75 total cpu time spent up to now is 48.8 secs Computing kpt #: 76 total cpu time spent up to now is 49.4 secs Computing kpt #: 77 total cpu time spent up to now is 50.0 secs Computing kpt #: 78 total cpu time spent up to now is 50.7 secs Computing kpt #: 79 total cpu time spent up to now is 51.3 secs Computing kpt #: 80 total cpu time spent up to now is 51.9 secs Computing kpt #: 81 total cpu time spent up to now is 52.5 secs Computing kpt #: 82 total cpu time spent up to now is 53.1 secs Computing kpt #: 83 total cpu time spent up to now is 53.7 secs Computing kpt #: 84 total cpu time spent up to now is 54.4 secs Computing kpt #: 85 total cpu time spent up to now is 55.0 secs Computing kpt #: 86 total cpu time spent up to now is 55.6 secs Computing kpt #: 87 total cpu time spent up to now is 56.3 secs Computing kpt #: 88 total cpu time spent up to now is 56.9 secs Computing kpt #: 89 total cpu time spent up to now is 57.5 secs Computing kpt #: 90 total cpu time spent up to now is 58.1 secs Computing kpt #: 91 total cpu time spent up to now is 58.8 secs Computing kpt #: 92 total cpu time spent up to now is 59.4 secs Computing kpt #: 93 total cpu time spent up to now is 60.0 secs Computing kpt #: 94 total cpu time spent up to now is 60.7 secs Computing kpt #: 95 total cpu time spent up to now is 61.3 secs Computing kpt #: 96 total cpu time spent up to now is 62.0 secs Computing kpt #: 97 total cpu time spent up to now is 62.6 secs Computing kpt #: 98 total cpu time spent up to now is 63.3 secs Computing kpt #: 99 total cpu time spent up to now is 64.0 secs Computing kpt #: 100 total cpu time spent up to now is 64.7 secs Computing kpt #: 101 total cpu time spent up to now is 65.3 secs Computing kpt #: 102 total cpu time spent up to now is 65.9 secs Computing kpt #: 103 total cpu time spent up to now is 66.6 secs Computing kpt #: 104 total cpu time spent up to now is 67.1 secs Computing kpt #: 105 total cpu time spent up to now is 67.7 secs Computing kpt #: 106 total cpu time spent up to now is 68.2 secs Computing kpt #: 107 total cpu time spent up to now is 68.8 secs Computing kpt #: 108 total cpu time spent up to now is 69.3 secs Computing kpt #: 109 total cpu time spent up to now is 70.0 secs Computing kpt #: 110 total cpu time spent up to now is 70.6 secs Computing kpt #: 111 total cpu time spent up to now is 71.2 secs Computing kpt #: 112 total cpu time spent up to now is 71.8 secs Computing kpt #: 113 total cpu time spent up to now is 72.4 secs Computing kpt #: 114 total cpu time spent up to now is 72.9 secs Computing kpt #: 115 total cpu time spent up to now is 73.5 secs Computing kpt #: 116 total cpu time spent up to now is 74.0 secs Computing kpt #: 117 total cpu time spent up to now is 74.4 secs Computing kpt #: 118 total cpu time spent up to now is 74.9 secs Computing kpt #: 119 total cpu time spent up to now is 75.4 secs Computing kpt #: 120 total cpu time spent up to now is 76.1 secs Computing kpt #: 121 total cpu time spent up to now is 76.7 secs Computing kpt #: 122 total cpu time spent up to now is 77.5 secs Computing kpt #: 123 total cpu time spent up to now is 78.4 secs Computing kpt #: 124 total cpu time spent up to now is 79.0 secs Computing kpt #: 125 total cpu time spent up to now is 79.5 secs Computing kpt #: 126 total cpu time spent up to now is 80.0 secs Computing kpt #: 127 total cpu time spent up to now is 80.4 secs Computing kpt #: 128 total cpu time spent up to now is 80.9 secs Computing kpt #: 129 total cpu time spent up to now is 81.4 secs Computing kpt #: 130 total cpu time spent up to now is 81.8 secs Computing kpt #: 131 total cpu time spent up to now is 82.5 secs Computing kpt #: 132 total cpu time spent up to now is 83.1 secs Computing kpt #: 133 total cpu time spent up to now is 83.8 secs Computing kpt #: 134 total cpu time spent up to now is 84.6 secs Computing kpt #: 135 total cpu time spent up to now is 85.1 secs Computing kpt #: 136 total cpu time spent up to now is 85.6 secs Computing kpt #: 137 total cpu time spent up to now is 86.0 secs Computing kpt #: 138 total cpu time spent up to now is 86.5 secs Computing kpt #: 139 total cpu time spent up to now is 87.0 secs Computing kpt #: 140 total cpu time spent up to now is 87.5 secs Computing kpt #: 141 total cpu time spent up to now is 88.1 secs Computing kpt #: 142 total cpu time spent up to now is 88.8 secs Computing kpt #: 143 total cpu time spent up to now is 89.6 secs Computing kpt #: 144 total cpu time spent up to now is 90.3 secs Computing kpt #: 145 total cpu time spent up to now is 90.9 secs Computing kpt #: 146 total cpu time spent up to now is 91.5 secs Computing kpt #: 147 total cpu time spent up to now is 92.2 secs Computing kpt #: 148 total cpu time spent up to now is 92.7 secs Computing kpt #: 149 total cpu time spent up to now is 93.4 secs Computing kpt #: 150 total cpu time spent up to now is 94.1 secs Computing kpt #: 151 total cpu time spent up to now is 94.8 secs Computing kpt #: 152 total cpu time spent up to now is 95.4 secs Computing kpt #: 153 total cpu time spent up to now is 96.1 secs Computing kpt #: 154 total cpu time spent up to now is 96.8 secs Computing kpt #: 155 total cpu time spent up to now is 97.4 secs Computing kpt #: 156 total cpu time spent up to now is 98.0 secs Computing kpt #: 157 total cpu time spent up to now is 98.6 secs Computing kpt #: 158 total cpu time spent up to now is 99.2 secs Computing kpt #: 159 total cpu time spent up to now is 99.8 secs Computing kpt #: 160 total cpu time spent up to now is 100.4 secs Computing kpt #: 161 total cpu time spent up to now is 100.9 secs Computing kpt #: 162 total cpu time spent up to now is 101.5 secs Computing kpt #: 163 total cpu time spent up to now is 102.1 secs Computing kpt #: 164 total cpu time spent up to now is 102.7 secs Computing kpt #: 165 total cpu time spent up to now is 103.2 secs Computing kpt #: 166 total cpu time spent up to now is 103.8 secs Computing kpt #: 167 total cpu time spent up to now is 104.4 secs Computing kpt #: 168 total cpu time spent up to now is 104.9 secs Computing kpt #: 169 total cpu time spent up to now is 105.5 secs Computing kpt #: 170 total cpu time spent up to now is 106.1 secs Computing kpt #: 171 total cpu time spent up to now is 106.7 secs Computing kpt #: 172 total cpu time spent up to now is 107.2 secs Computing kpt #: 173 total cpu time spent up to now is 107.7 secs Computing kpt #: 174 total cpu time spent up to now is 108.2 secs Computing kpt #: 175 total cpu time spent up to now is 108.7 secs Computing kpt #: 176 total cpu time spent up to now is 109.2 secs Computing kpt #: 177 total cpu time spent up to now is 109.7 secs Computing kpt #: 178 total cpu time spent up to now is 110.1 secs Computing kpt #: 179 total cpu time spent up to now is 110.6 secs Computing kpt #: 180 total cpu time spent up to now is 111.1 secs Computing kpt #: 181 total cpu time spent up to now is 111.6 secs Computing kpt #: 182 total cpu time spent up to now is 112.1 secs Computing kpt #: 183 total cpu time spent up to now is 112.7 secs Computing kpt #: 184 total cpu time spent up to now is 113.6 secs Computing kpt #: 185 total cpu time spent up to now is 114.3 secs Computing kpt #: 186 total cpu time spent up to now is 115.0 secs Computing kpt #: 187 total cpu time spent up to now is 115.8 secs Computing kpt #: 188 total cpu time spent up to now is 116.5 secs Computing kpt #: 189 total cpu time spent up to now is 117.3 secs Computing kpt #: 190 total cpu time spent up to now is 118.1 secs Computing kpt #: 191 total cpu time spent up to now is 119.1 secs Computing kpt #: 192 total cpu time spent up to now is 119.9 secs Computing kpt #: 193 total cpu time spent up to now is 120.7 secs Computing kpt #: 194 total cpu time spent up to now is 121.5 secs Computing kpt #: 195 total cpu time spent up to now is 122.3 secs Computing kpt #: 196 total cpu time spent up to now is 123.2 secs Computing kpt #: 197 total cpu time spent up to now is 124.0 secs Computing kpt #: 198 total cpu time spent up to now is 124.8 secs Computing kpt #: 199 total cpu time spent up to now is 125.7 secs Computing kpt #: 200 total cpu time spent up to now is 126.5 secs Computing kpt #: 201 total cpu time spent up to now is 127.4 secs Computing kpt #: 202 total cpu time spent up to now is 128.3 secs Computing kpt #: 203 total cpu time spent up to now is 129.2 secs Computing kpt #: 204 total cpu time spent up to now is 130.2 secs Computing kpt #: 205 total cpu time spent up to now is 131.1 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 132.6 secs Computing kpt #: 207 total cpu time spent up to now is 133.3 secs Computing kpt #: 208 total cpu time spent up to now is 134.0 secs Computing kpt #: 209 total cpu time spent up to now is 134.6 secs Computing kpt #: 210 total cpu time spent up to now is 135.2 secs Computing kpt #: 211 total cpu time spent up to now is 135.7 secs Computing kpt #: 212 total cpu time spent up to now is 136.2 secs Computing kpt #: 213 total cpu time spent up to now is 136.7 secs Computing kpt #: 214 total cpu time spent up to now is 137.3 secs Computing kpt #: 215 total cpu time spent up to now is 137.8 secs Computing kpt #: 216 total cpu time spent up to now is 138.3 secs Computing kpt #: 217 total cpu time spent up to now is 138.8 secs Computing kpt #: 218 total cpu time spent up to now is 139.3 secs Computing kpt #: 219 total cpu time spent up to now is 139.8 secs Computing kpt #: 220 total cpu time spent up to now is 140.2 secs Computing kpt #: 221 total cpu time spent up to now is 140.7 secs Computing kpt #: 222 total cpu time spent up to now is 141.2 secs Computing kpt #: 223 total cpu time spent up to now is 141.7 secs Computing kpt #: 224 total cpu time spent up to now is 142.2 secs Computing kpt #: 225 total cpu time spent up to now is 142.7 secs Computing kpt #: 226 total cpu time spent up to now is 143.2 secs Computing kpt #: 227 total cpu time spent up to now is 143.7 secs Computing kpt #: 228 total cpu time spent up to now is 144.2 secs Computing kpt #: 229 total cpu time spent up to now is 144.7 secs Computing kpt #: 230 total cpu time spent up to now is 145.3 secs Computing kpt #: 231 total cpu time spent up to now is 145.8 secs Computing kpt #: 232 total cpu time spent up to now is 146.4 secs Computing kpt #: 233 total cpu time spent up to now is 147.0 secs Computing kpt #: 234 total cpu time spent up to now is 147.5 secs Computing kpt #: 235 total cpu time spent up to now is 148.0 secs Computing kpt #: 236 total cpu time spent up to now is 148.5 secs Computing kpt #: 237 total cpu time spent up to now is 149.0 secs Computing kpt #: 238 total cpu time spent up to now is 149.6 secs Computing kpt #: 239 total cpu time spent up to now is 150.1 secs Computing kpt #: 240 total cpu time spent up to now is 150.6 secs Computing kpt #: 241 total cpu time spent up to now is 151.1 secs Computing kpt #: 242 total cpu time spent up to now is 151.6 secs Computing kpt #: 243 total cpu time spent up to now is 152.1 secs Computing kpt #: 244 total cpu time spent up to now is 152.6 secs Computing kpt #: 245 total cpu time spent up to now is 153.0 secs Computing kpt #: 246 total cpu time spent up to now is 153.5 secs Computing kpt #: 247 total cpu time spent up to now is 154.0 secs Computing kpt #: 248 total cpu time spent up to now is 154.5 secs Computing kpt #: 249 total cpu time spent up to now is 155.1 secs Computing kpt #: 250 total cpu time spent up to now is 155.6 secs Computing kpt #: 251 total cpu time spent up to now is 156.1 secs Computing kpt #: 252 total cpu time spent up to now is 156.7 secs Computing kpt #: 253 total cpu time spent up to now is 157.3 secs Computing kpt #: 254 total cpu time spent up to now is 158.0 secs Computing kpt #: 255 total cpu time spent up to now is 158.8 secs Computing kpt #: 256 total cpu time spent up to now is 159.6 secs Computing kpt #: 257 total cpu time spent up to now is 160.4 secs Computing kpt #: 258 total cpu time spent up to now is 161.3 secs Computing kpt #: 259 total cpu time spent up to now is 162.0 secs Computing kpt #: 260 total cpu time spent up to now is 162.6 secs Computing kpt #: 261 total cpu time spent up to now is 163.3 secs Computing kpt #: 262 total cpu time spent up to now is 163.9 secs Computing kpt #: 263 total cpu time spent up to now is 164.5 secs Computing kpt #: 264 total cpu time spent up to now is 165.2 secs Computing kpt #: 265 total cpu time spent up to now is 165.9 secs Computing kpt #: 266 total cpu time spent up to now is 166.6 secs Computing kpt #: 267 total cpu time spent up to now is 167.3 secs Computing kpt #: 268 total cpu time spent up to now is 168.3 secs Computing kpt #: 269 total cpu time spent up to now is 168.9 secs Computing kpt #: 270 total cpu time spent up to now is 169.5 secs Computing kpt #: 271 total cpu time spent up to now is 170.0 secs Computing kpt #: 272 total cpu time spent up to now is 170.5 secs Computing kpt #: 273 total cpu time spent up to now is 171.0 secs Computing kpt #: 274 total cpu time spent up to now is 171.5 secs Computing kpt #: 275 total cpu time spent up to now is 172.1 secs Computing kpt #: 276 total cpu time spent up to now is 172.6 secs Computing kpt #: 277 total cpu time spent up to now is 173.4 secs Computing kpt #: 278 total cpu time spent up to now is 174.1 secs Computing kpt #: 279 total cpu time spent up to now is 174.8 secs Computing kpt #: 280 total cpu time spent up to now is 175.5 secs Computing kpt #: 281 total cpu time spent up to now is 176.3 secs Computing kpt #: 282 total cpu time spent up to now is 177.0 secs Computing kpt #: 283 total cpu time spent up to now is 177.8 secs Computing kpt #: 284 total cpu time spent up to now is 178.5 secs Computing kpt #: 285 total cpu time spent up to now is 179.3 secs Computing kpt #: 286 total cpu time spent up to now is 179.9 secs Computing kpt #: 287 total cpu time spent up to now is 180.5 secs Computing kpt #: 288 total cpu time spent up to now is 181.0 secs Computing kpt #: 289 total cpu time spent up to now is 181.5 secs Computing kpt #: 290 total cpu time spent up to now is 181.9 secs Computing kpt #: 291 total cpu time spent up to now is 182.4 secs Computing kpt #: 292 total cpu time spent up to now is 182.9 secs Computing kpt #: 293 total cpu time spent up to now is 183.3 secs Computing kpt #: 294 total cpu time spent up to now is 183.8 secs Computing kpt #: 295 total cpu time spent up to now is 184.2 secs Computing kpt #: 296 total cpu time spent up to now is 184.7 secs Computing kpt #: 297 total cpu time spent up to now is 185.1 secs Computing kpt #: 298 total cpu time spent up to now is 185.6 secs Computing kpt #: 299 total cpu time spent up to now is 186.0 secs Computing kpt #: 300 total cpu time spent up to now is 186.5 secs Computing kpt #: 301 total cpu time spent up to now is 187.0 secs Computing kpt #: 302 total cpu time spent up to now is 187.5 secs Computing kpt #: 303 total cpu time spent up to now is 188.1 secs Computing kpt #: 304 total cpu time spent up to now is 188.8 secs Computing kpt #: 305 total cpu time spent up to now is 189.6 secs Computing kpt #: 306 total cpu time spent up to now is 190.2 secs Computing kpt #: 307 total cpu time spent up to now is 190.7 secs Computing kpt #: 308 total cpu time spent up to now is 191.1 secs Computing kpt #: 309 total cpu time spent up to now is 191.6 secs Computing kpt #: 310 total cpu time spent up to now is 192.1 secs Computing kpt #: 311 total cpu time spent up to now is 192.6 secs Computing kpt #: 312 total cpu time spent up to now is 193.2 secs Computing kpt #: 313 total cpu time spent up to now is 193.7 secs Computing kpt #: 314 total cpu time spent up to now is 194.2 secs Computing kpt #: 315 total cpu time spent up to now is 194.8 secs Computing kpt #: 316 total cpu time spent up to now is 195.4 secs Computing kpt #: 317 total cpu time spent up to now is 195.9 secs Computing kpt #: 318 total cpu time spent up to now is 196.5 secs Computing kpt #: 319 total cpu time spent up to now is 197.1 secs Computing kpt #: 320 total cpu time spent up to now is 197.7 secs Computing kpt #: 321 total cpu time spent up to now is 198.3 secs Computing kpt #: 322 total cpu time spent up to now is 199.0 secs Computing kpt #: 323 total cpu time spent up to now is 199.6 secs Computing kpt #: 324 total cpu time spent up to now is 200.2 secs Computing kpt #: 325 total cpu time spent up to now is 200.8 secs Computing kpt #: 326 total cpu time spent up to now is 201.3 secs Computing kpt #: 327 total cpu time spent up to now is 201.9 secs Computing kpt #: 328 total cpu time spent up to now is 202.5 secs Computing kpt #: 329 total cpu time spent up to now is 203.0 secs Computing kpt #: 330 total cpu time spent up to now is 203.5 secs Computing kpt #: 331 total cpu time spent up to now is 204.0 secs Computing kpt #: 332 total cpu time spent up to now is 204.5 secs Computing kpt #: 333 total cpu time spent up to now is 205.0 secs Computing kpt #: 334 total cpu time spent up to now is 205.5 secs Computing kpt #: 335 total cpu time spent up to now is 206.0 secs Computing kpt #: 336 total cpu time spent up to now is 206.5 secs Computing kpt #: 337 total cpu time spent up to now is 207.1 secs Computing kpt #: 338 total cpu time spent up to now is 207.7 secs Computing kpt #: 339 total cpu time spent up to now is 208.3 secs Computing kpt #: 340 total cpu time spent up to now is 208.9 secs Computing kpt #: 341 total cpu time spent up to now is 209.6 secs Computing kpt #: 342 total cpu time spent up to now is 210.3 secs Computing kpt #: 343 total cpu time spent up to now is 211.1 secs Computing kpt #: 344 total cpu time spent up to now is 211.9 secs Computing kpt #: 345 total cpu time spent up to now is 212.8 secs Computing kpt #: 346 total cpu time spent up to now is 214.1 secs Computing kpt #: 347 total cpu time spent up to now is 215.3 secs Computing kpt #: 348 total cpu time spent up to now is 216.4 secs Computing kpt #: 349 total cpu time spent up to now is 217.3 secs Computing kpt #: 350 total cpu time spent up to now is 218.2 secs Computing kpt #: 351 total cpu time spent up to now is 219.2 secs Computing kpt #: 352 total cpu time spent up to now is 220.0 secs Computing kpt #: 353 total cpu time spent up to now is 220.8 secs Computing kpt #: 354 total cpu time spent up to now is 221.8 secs ethr = 2.27E-08, avg # of iterations = 29.7 total cpu time spent up to now is 221.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4993 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7877 -25.7877 -25.7866 -25.7866 -18.1134 -18.1134 -18.1041 -18.1041 -18.0178 -18.0178 -18.0166 -18.0166 -2.1530 -2.1530 -1.2765 -1.2765 -0.3239 -0.3239 5.7655 5.7655 5.7945 5.7945 7.6884 7.6884 8.0655 8.0655 8.1455 8.1455 8.9250 8.9250 8.9641 8.9641 9.1189 9.1189 9.5289 9.5289 9.5809 9.5809 9.8946 9.8946 11.7726 11.7726 11.8954 11.8954 12.8182 12.8182 12.8985 12.8985 k = 0.0000 0.0116-0.0000 ( 4997 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7877 -25.7877 -25.7867 -25.7867 -18.1134 -18.1134 -18.1041 -18.1041 -18.0179 -18.0179 -18.0168 -18.0168 -2.1517 -2.1517 -1.2754 -1.2754 -0.3228 -0.3228 5.7665 5.7665 5.7951 5.7951 7.6649 7.6649 8.0719 8.0719 8.1525 8.1525 8.9174 8.9174 8.9612 8.9612 9.1234 9.1234 9.5190 9.5190 9.5915 9.5915 9.8923 9.8923 11.7773 11.7773 11.9021 11.9021 12.7948 12.7948 12.9021 12.9021 k = 0.0000 0.0233-0.0000 ( 5001 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7878 -25.7878 -25.7868 -25.7868 -18.1135 -18.1135 -18.1042 -18.1042 -18.0181 -18.0181 -18.0171 -18.0171 -2.1476 -2.1476 -1.2721 -1.2721 -0.3194 -0.3194 5.7695 5.7695 5.7970 5.7970 7.6019 7.6019 8.0848 8.0848 8.1729 8.1729 8.8956 8.8956 8.9533 8.9533 9.1353 9.1353 9.4994 9.4994 9.6131 9.6131 9.8854 9.8854 11.7912 11.7912 11.9222 11.9222 12.7439 12.7439 12.8949 12.8949 k = 0.0000 0.0349-0.0000 ( 4981 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7878 -25.7878 -25.7868 -25.7868 -18.1135 -18.1135 -18.1042 -18.1042 -18.0185 -18.0185 -18.0174 -18.0174 -2.1408 -2.1408 -1.2666 -1.2666 -0.3137 -0.3137 5.7735 5.7735 5.8010 5.8010 7.5125 7.5125 8.0969 8.0969 8.2006 8.2006 8.8618 8.8618 8.9418 8.9418 9.1513 9.1513 9.4777 9.4777 9.6384 9.6384 9.8746 9.8746 11.8139 11.8139 11.9549 11.9549 12.6822 12.6822 12.8651 12.8651 k = 0.0000 0.0465-0.0000 ( 4981 PWs) bands (ev): -51.4738 -51.4738 -51.4738 -51.4738 -25.7880 -25.7880 -25.7869 -25.7869 -18.1135 -18.1135 -18.1043 -18.1043 -18.0191 -18.0191 -18.0181 -18.0181 -2.1313 -2.1313 -1.2590 -1.2590 -0.3057 -0.3057 5.7771 5.7771 5.8084 5.8084 7.4056 7.4056 8.1081 8.1081 8.2272 8.2272 8.8179 8.8179 8.9284 8.9284 9.1689 9.1689 9.4559 9.4559 9.6651 9.6651 9.8610 9.8610 11.8447 11.8447 11.9993 11.9993 12.6157 12.6157 12.8167 12.8167 k = 0.0000 0.0581-0.0000 ( 4977 PWs) bands (ev): -51.4738 -51.4738 -51.4737 -51.4737 -25.7881 -25.7881 -25.7871 -25.7871 -18.1136 -18.1136 -18.1044 -18.1044 -18.0199 -18.0199 -18.0189 -18.0189 -2.1192 -2.1192 -1.2493 -1.2493 -0.2955 -0.2955 5.7793 5.7793 5.8200 5.8200 7.2864 7.2864 8.1193 8.1193 8.2468 8.2468 8.7646 8.7646 8.9150 8.9150 9.1865 9.1865 9.4350 9.4350 9.6921 9.6921 9.8459 9.8459 11.8828 11.8828 12.0540 12.0540 12.5467 12.5467 12.7567 12.7567 k = 0.0000 0.0698-0.0000 ( 4989 PWs) bands (ev): -51.4738 -51.4738 -51.4737 -51.4737 -25.7884 -25.7884 -25.7874 -25.7874 -18.1138 -18.1138 -18.1046 -18.1046 -18.0209 -18.0209 -18.0199 -18.0199 -2.1043 -2.1043 -1.2375 -1.2375 -0.2830 -0.2830 5.7800 5.7800 5.8358 5.8358 7.1578 7.1578 8.1307 8.1307 8.2564 8.2564 8.7025 8.7025 8.9040 8.9040 9.2032 9.2032 9.4153 9.4153 9.7171 9.7171 9.8319 9.8319 11.9272 11.9272 12.1174 12.1174 12.4763 12.4763 12.6905 12.6905 k = 0.0000 0.0814-0.0000 ( 4983 PWs) bands (ev): -51.4737 -51.4737 -51.4736 -51.4736 -25.7886 -25.7886 -25.7876 -25.7876 -18.1140 -18.1140 -18.1049 -18.1049 -18.0220 -18.0220 -18.0210 -18.0210 -2.0869 -2.0869 -1.2236 -1.2236 -0.2683 -0.2683 5.7793 5.7793 5.8553 5.8553 7.0220 7.0220 8.1409 8.1409 8.2560 8.2560 8.6317 8.6317 8.8977 8.8977 9.2182 9.2182 9.3976 9.3976 9.7358 9.7358 9.8237 9.8237 11.9765 11.9765 12.1872 12.1872 12.4051 12.4051 12.6226 12.6226 k = 0.0000 0.0930-0.0000 ( 4975 PWs) bands (ev): -51.4737 -51.4737 -51.4736 -51.4736 -25.7888 -25.7888 -25.7878 -25.7878 -18.1142 -18.1142 -18.1051 -18.1051 -18.0232 -18.0232 -18.0222 -18.0222 -2.0668 -2.0668 -1.2077 -1.2077 -0.2512 -0.2512 5.7772 5.7772 5.8782 5.8782 6.8804 6.8804 8.1461 8.1461 8.2491 8.2491 8.5528 8.5528 8.8975 8.8975 9.2308 9.2308 9.3822 9.3822 9.7412 9.7412 9.8283 9.8283 12.0296 12.0296 12.2598 12.2598 12.3338 12.3338 12.5577 12.5577 k = 0.0000 0.1047-0.0000 ( 4975 PWs) bands (ev): -51.4736 -51.4736 -51.4735 -51.4735 -25.7892 -25.7892 -25.7881 -25.7881 -18.1145 -18.1145 -18.1054 -18.1054 -18.0245 -18.0245 -18.0235 -18.0235 -2.0442 -2.0442 -1.1899 -1.1899 -0.2319 -0.2319 5.7734 5.7734 5.9043 5.9043 6.7342 6.7342 8.1382 8.1382 8.2448 8.2448 8.4669 8.4669 8.9039 8.9039 9.2402 9.2402 9.3697 9.3697 9.7336 9.7336 9.8454 9.8454 12.0851 12.0851 12.2601 12.2601 12.3278 12.3278 12.5057 12.5057 k = 0.0000 0.1163-0.0000 ( 4975 PWs) bands (ev): -51.4735 -51.4735 -51.4735 -51.4735 -25.7896 -25.7896 -25.7884 -25.7884 -18.1149 -18.1149 -18.1058 -18.1058 -18.0260 -18.0260 -18.0249 -18.0249 -2.0191 -2.0191 -1.1702 -1.1702 -0.2104 -0.2104 5.7678 5.7678 5.9332 5.9332 6.5845 6.5845 8.1113 8.1113 8.2486 8.2486 8.3771 8.3771 8.9164 8.9164 9.2457 9.2457 9.3604 9.3604 9.7202 9.7202 9.8679 9.8679 12.1410 12.1410 12.1893 12.1893 12.3518 12.3518 12.5019 12.5019 k = 0.0000 0.1279-0.0000 ( 4979 PWs) bands (ev): -51.4735 -51.4735 -51.4734 -51.4734 -25.7900 -25.7900 -25.7888 -25.7888 -18.1153 -18.1153 -18.1063 -18.1063 -18.0275 -18.0275 -18.0265 -18.0265 -1.9915 -1.9915 -1.1487 -1.1487 -0.1865 -0.1865 5.7598 5.7598 5.9648 5.9648 6.4323 6.4323 8.0693 8.0693 8.2357 8.2357 8.3080 8.3080 8.9343 8.9343 9.2468 9.2468 9.3545 9.3545 9.7052 9.7052 9.8915 9.8915 12.1159 12.1159 12.1992 12.1992 12.3190 12.3190 12.5613 12.5613 k = 0.0000 0.1395-0.0000 ( 4985 PWs) bands (ev): -51.4734 -51.4734 -51.4733 -51.4733 -25.7904 -25.7904 -25.7892 -25.7892 -18.1158 -18.1158 -18.1068 -18.1068 -18.0292 -18.0292 -18.0281 -18.0281 -1.9615 -1.9615 -1.1255 -1.1255 -0.1604 -0.1604 5.7492 5.7492 5.9979 5.9979 6.2790 6.2790 8.0176 8.0176 8.1524 8.1524 8.3113 8.3113 8.9563 8.9563 9.2439 9.2439 9.3513 9.3513 9.6900 9.6900 9.9141 9.9141 12.0459 12.0459 12.2479 12.2479 12.2770 12.2770 12.6405 12.6405 k = 0.0000 0.1512-0.0000 ( 4981 PWs) bands (ev): -51.4733 -51.4733 -51.4733 -51.4733 -25.7908 -25.7908 -25.7896 -25.7896 -18.1164 -18.1164 -18.1074 -18.1074 -18.0309 -18.0309 -18.0296 -18.0296 -1.9291 -1.9291 -1.1007 -1.1007 -0.1320 -0.1320 5.7354 5.7354 6.0250 6.0250 6.1328 6.1328 7.9574 7.9574 8.0515 8.0515 8.3364 8.3364 8.9815 8.9815 9.2380 9.2380 9.3495 9.3495 9.6751 9.6751 9.9351 9.9351 11.9776 11.9776 12.2173 12.2173 12.3121 12.3121 12.7235 12.7235 k = 0.0000 0.1628-0.0000 ( 4977 PWs) bands (ev): -51.4732 -51.4732 -51.4732 -51.4732 -25.7913 -25.7913 -25.7900 -25.7900 -18.1171 -18.1171 -18.1082 -18.1082 -18.0326 -18.0326 -18.0312 -18.0312 -1.8945 -1.8945 -1.0745 -1.0745 -0.1013 -0.1013 5.7179 5.7179 5.9471 5.9471 6.0931 6.0931 7.8804 7.8804 7.9606 7.9606 8.3674 8.3674 9.0086 9.0086 9.2307 9.2307 9.3478 9.3478 9.6607 9.6607 9.9538 9.9538 11.9121 11.9121 12.1713 12.1713 12.3623 12.3623 12.8063 12.8063 k = 0.0000 0.1744-0.0000 ( 4969 PWs) bands (ev): -51.4731 -51.4731 -51.4731 -51.4731 -25.7917 -25.7917 -25.7905 -25.7905 -18.1178 -18.1178 -18.1090 -18.1090 -18.0342 -18.0342 -18.0328 -18.0328 -1.8576 -1.8576 -1.0468 -1.0468 -0.0684 -0.0684 5.6958 5.6958 5.7952 5.7952 6.1295 6.1295 7.7781 7.7781 7.8927 7.8927 8.4021 8.4021 9.0363 9.0363 9.2236 9.2236 9.3452 9.3452 9.6464 9.6464 9.9699 9.9699 11.8501 11.8501 12.1280 12.1280 12.4099 12.4099 12.8873 12.8873 k = 0.0000 0.1860-0.0000 ( 4967 PWs) bands (ev): -51.4730 -51.4730 -51.4730 -51.4730 -25.7922 -25.7922 -25.7909 -25.7909 -18.1187 -18.1187 -18.1099 -18.1099 -18.0359 -18.0359 -18.0344 -18.0344 -1.8186 -1.8186 -1.0179 -1.0179 -0.0331 -0.0331 5.6315 5.6315 5.6760 5.6760 6.1729 6.1729 7.6623 7.6623 7.8395 7.8395 8.4398 8.4398 9.0627 9.0627 9.2185 9.2185 9.3412 9.3412 9.6318 9.6318 9.9831 9.9831 11.7922 11.7922 12.0877 12.0877 12.4538 12.4538 12.9658 12.9658 k = 0.0000 0.1977-0.0000 ( 4967 PWs) bands (ev): -51.4729 -51.4729 -51.4729 -51.4729 -25.7927 -25.7927 -25.7914 -25.7914 -18.1197 -18.1197 -18.1110 -18.1110 -18.0376 -18.0376 -18.0359 -18.0359 -1.7776 -1.7776 -0.9879 -0.9879 0.0044 0.0044 5.4752 5.4752 5.6432 5.6432 6.2190 6.2190 7.5418 7.5418 7.7947 7.7947 8.4803 8.4803 9.0846 9.0846 9.2180 9.2180 9.3361 9.3361 9.6164 9.6164 9.9930 9.9930 11.7390 11.7390 12.0505 12.0505 12.4941 12.4941 13.0402 13.0402 k = 0.0000 0.2093-0.0000 ( 4967 PWs) bands (ev): -51.4729 -51.4729 -51.4728 -51.4728 -25.7932 -25.7932 -25.7920 -25.7920 -18.1208 -18.1208 -18.1122 -18.1122 -18.0392 -18.0392 -18.0374 -18.0374 -1.7346 -1.7346 -0.9569 -0.9569 0.0442 0.0442 5.3162 5.3162 5.6085 5.6085 6.2664 6.2664 7.4200 7.4200 7.7568 7.7568 8.5234 8.5234 9.0983 9.0983 9.2244 9.2244 9.3312 9.3312 9.5997 9.5997 9.9992 9.9992 11.6906 11.6906 12.0159 12.0159 12.5309 12.5309 13.0915 13.0915 k = 0.0000 0.2209-0.0000 ( 4973 PWs) bands (ev): -51.4728 -51.4728 -51.4727 -51.4727 -25.7937 -25.7937 -25.7926 -25.7926 -18.1220 -18.1220 -18.1136 -18.1136 -18.0407 -18.0407 -18.0388 -18.0388 -1.6898 -1.6898 -0.9251 -0.9251 0.0863 0.0863 5.1571 5.1571 5.5696 5.5696 6.3141 6.3141 7.2993 7.2993 7.7260 7.7260 8.5689 8.5689 9.1025 9.1025 9.2355 9.2355 9.3302 9.3302 9.5810 9.5810 10.0014 10.0014 11.6470 11.6470 11.9835 11.9835 12.5646 12.5646 13.1027 13.1027 k = 0.0000 0.2326-0.0000 ( 4981 PWs) bands (ev): -51.4727 -51.4727 -51.4726 -51.4726 -25.7943 -25.7943 -25.7931 -25.7931 -18.1233 -18.1233 -18.1151 -18.1151 -18.0422 -18.0422 -18.0402 -18.0402 -1.6433 -1.6433 -0.8928 -0.8928 0.1308 0.1308 4.9985 4.9985 5.5266 5.5266 6.3601 6.3601 7.1824 7.1824 7.7022 7.7022 8.6168 8.6168 9.0993 9.0993 9.2422 9.2422 9.3399 9.3399 9.5598 9.5598 9.9993 9.9993 11.6081 11.6081 11.9527 11.9527 12.5960 12.5960 13.1089 13.1089 k = 0.0000 0.2442-0.0000 ( 4977 PWs) bands (ev): -51.4726 -51.4726 -51.4725 -51.4725 -25.7948 -25.7948 -25.7937 -25.7937 -18.1248 -18.1248 -18.1166 -18.1166 -18.0435 -18.0435 -18.0414 -18.0414 -1.5952 -1.5952 -0.8600 -0.8600 0.1775 0.1775 4.8406 4.8406 5.4799 5.4799 6.4008 6.4008 7.0733 7.0733 7.6856 7.6856 8.6669 8.6669 9.0921 9.0921 9.2379 9.2379 9.3641 9.3641 9.5360 9.5360 9.9924 9.9924 11.5734 11.5734 11.9226 11.9226 12.6258 12.6258 13.1153 13.1154 k = 0.0000 0.2558-0.0000 ( 4971 PWs) bands (ev): -51.4725 -51.4725 -51.4724 -51.4724 -25.7953 -25.7953 -25.7942 -25.7942 -18.1263 -18.1263 -18.1183 -18.1183 -18.0447 -18.0447 -18.0425 -18.0425 -1.5457 -1.5457 -0.8271 -0.8271 0.2266 0.2266 4.6837 4.6837 5.4299 5.4299 6.4295 6.4295 6.9793 6.9793 7.6759 7.6759 8.7190 8.7190 9.0830 9.0830 9.2248 9.2248 9.3983 9.3983 9.5096 9.5096 9.9804 9.9804 11.5423 11.5423 11.8925 11.8925 12.6550 12.6550 13.1230 13.1230 k = 0.0000 0.2674-0.0000 ( 4985 PWs) bands (ev): -51.4724 -51.4724 -51.4723 -51.4723 -25.7959 -25.7959 -25.7948 -25.7948 -18.1279 -18.1279 -18.1202 -18.1202 -18.0459 -18.0459 -18.0435 -18.0435 -1.4948 -1.4948 -0.7941 -0.7941 0.2781 0.2781 4.5280 4.5280 5.3775 5.3775 6.4343 6.4343 6.9127 6.9127 7.6728 7.6728 8.7727 8.7727 9.0733 9.0733 9.2068 9.2068 9.4353 9.4353 9.4830 9.4830 9.9629 9.9629 11.5138 11.5138 11.8615 11.8615 12.6843 12.6843 13.1324 13.1324 k = 0.0000 0.2791-0.0000 ( 4989 PWs) bands (ev): -51.4723 -51.4723 -51.4722 -51.4722 -25.7965 -25.7965 -25.7954 -25.7954 -18.1296 -18.1296 -18.1221 -18.1221 -18.0469 -18.0469 -18.0445 -18.0445 -1.4429 -1.4429 -0.7615 -0.7615 0.3319 0.3319 4.3736 4.3736 5.3232 5.3232 6.4026 6.4026 6.8864 6.8864 7.6761 7.6761 8.8274 8.8274 9.0642 9.0642 9.1858 9.1858 9.4377 9.4377 9.4915 9.4915 9.9398 9.9398 11.4869 11.4869 11.8284 11.8284 12.7146 12.7146 13.1438 13.1438 k = 0.0000 0.2907-0.0000 ( 4989 PWs) bands (ev): -51.4722 -51.4722 -51.4721 -51.4721 -25.7970 -25.7970 -25.7959 -25.7959 -18.1313 -18.1313 -18.1241 -18.1241 -18.0478 -18.0478 -18.0453 -18.0453 -1.3900 -1.3900 -0.7293 -0.7293 0.3882 0.3882 4.2206 4.2206 5.2680 5.2680 6.3353 6.3353 6.8998 6.8998 7.6853 7.6853 8.8816 8.8816 9.0574 9.0574 9.1629 9.1629 9.4048 9.4048 9.5350 9.5350 9.9109 9.9109 11.4605 11.4605 11.7923 11.7923 12.7467 12.7467 13.1564 13.1564 k = 0.0000 0.3023-0.0000 ( 4977 PWs) bands (ev): -51.4721 -51.4721 -51.4720 -51.4720 -25.7974 -25.7974 -25.7964 -25.7964 -18.1331 -18.1331 -18.1261 -18.1261 -18.0485 -18.0485 -18.0460 -18.0460 -1.3363 -1.3363 -0.6980 -0.6980 0.4468 0.4468 4.0693 4.0693 5.2125 5.2125 6.2454 6.2454 6.9403 6.9403 7.6998 7.6998 8.9308 8.9308 9.0563 9.0563 9.1398 9.1398 9.3669 9.3669 9.5828 9.5828 9.8761 9.8761 11.4336 11.4336 11.7521 11.7521 12.7813 12.7813 13.1666 13.1666 k = 0.0000 0.3140-0.0000 ( 4977 PWs) bands (ev): -51.4720 -51.4720 -51.4719 -51.4719 -25.7979 -25.7979 -25.7969 -25.7969 -18.1349 -18.1349 -18.1281 -18.1281 -18.0491 -18.0491 -18.0467 -18.0467 -1.2821 -1.2821 -0.6677 -0.6677 0.5079 0.5079 3.9198 3.9198 5.1576 5.1576 6.1445 6.1445 6.9966 6.9966 7.7193 7.7193 8.9649 8.9649 9.0652 9.0652 9.1224 9.1224 9.3267 9.3267 9.6323 9.6323 9.8355 9.8355 11.4050 11.4050 11.7070 11.7070 12.8189 12.8189 13.1683 13.1683 k = 0.0000 0.3256-0.0000 ( 4989 PWs) bands (ev): -51.4719 -51.4719 -51.4718 -51.4718 -25.7984 -25.7984 -25.7975 -25.7975 -18.1367 -18.1367 -18.1303 -18.1303 -18.0497 -18.0497 -18.0473 -18.0473 -1.2275 -1.2275 -0.6388 -0.6388 0.5715 0.5715 3.7722 3.7722 5.1041 5.1041 6.0391 6.0391 7.0623 7.0623 7.7432 7.7432 8.9770 8.9770 9.0627 9.0627 9.1390 9.1390 9.2853 9.2853 9.6828 9.6828 9.7899 9.7899 11.3739 11.3739 11.6563 11.6563 12.8599 12.8599 13.1613 13.1613 k = 0.0000 0.3372-0.0000 ( 4991 PWs) bands (ev): -51.4718 -51.4718 -51.4717 -51.4717 -25.7989 -25.7989 -25.7980 -25.7980 -18.1385 -18.1385 -18.1324 -18.1324 -18.0501 -18.0501 -18.0478 -18.0478 -1.1728 -1.1728 -0.6116 -0.6116 0.6376 0.6376 3.6266 3.6266 5.0527 5.0527 5.9327 5.9327 7.1342 7.1342 7.7711 7.7711 8.9759 8.9759 9.0390 9.0390 9.1876 9.1876 9.2464 9.2464 9.7232 9.7232 9.7500 9.7500 11.3395 11.3395 11.5997 11.5997 12.9044 12.9044 13.1540 13.1540 k = 0.0000 0.3488-0.0000 ( 4985 PWs) bands (ev): -51.4717 -51.4717 -51.4717 -51.4717 -25.7993 -25.7993 -25.7984 -25.7984 -18.1402 -18.1402 -18.1344 -18.1344 -18.0505 -18.0505 -18.0483 -18.0483 -1.1183 -1.1183 -0.5863 -0.5863 0.7062 0.7062 3.4831 3.4831 5.0042 5.0042 5.8273 5.8273 7.2106 7.2106 7.8026 7.8026 8.9687 8.9687 9.0104 9.0104 9.1909 9.1909 9.2643 9.2643 9.6781 9.6781 9.7919 9.7919 11.3015 11.3015 11.5373 11.5373 12.9522 12.9522 13.1528 13.1528 k = 0.0000 0.3605-0.0000 ( 4982 PWs) bands (ev): -51.4716 -51.4716 -51.4716 -51.4716 -25.7997 -25.7997 -25.7989 -25.7989 -18.1418 -18.1418 -18.1365 -18.1365 -18.0507 -18.0507 -18.0486 -18.0486 -1.0642 -1.0642 -0.5633 -0.5633 0.7775 0.7775 3.3418 3.3418 4.9591 4.9591 5.7242 5.7242 7.2902 7.2902 7.8373 7.8373 8.9532 8.9532 8.9857 8.9857 9.1504 9.1504 9.3312 9.3312 9.6181 9.6181 9.8455 9.8455 11.2595 11.2595 11.4694 11.4694 13.0022 13.0022 13.1611 13.1611 k = 0.0000 0.3721-0.0000 ( 4976 PWs) bands (ev): -51.4715 -51.4715 -51.4715 -51.4715 -25.8000 -25.8000 -25.7993 -25.7993 -18.1434 -18.1434 -18.1384 -18.1384 -18.0509 -18.0509 -18.0489 -18.0489 -1.0108 -1.0108 -0.5429 -0.5429 0.8514 0.8514 3.2028 3.2028 4.9182 4.9182 5.6242 5.6242 7.3726 7.3726 7.8747 7.8747 8.9234 8.9234 8.9724 8.9724 9.1079 9.1079 9.4036 9.4036 9.5545 9.5545 9.9005 9.9005 11.2133 11.2133 11.3967 11.3967 13.0522 13.0522 13.1820 13.1820 k = 0.0000 0.3837-0.0000 ( 4970 PWs) bands (ev): -51.4715 -51.4715 -51.4714 -51.4714 -25.8004 -25.8004 -25.7997 -25.7997 -18.1449 -18.1449 -18.1403 -18.1403 -18.0510 -18.0510 -18.0492 -18.0492 -0.9584 -0.9584 -0.5253 -0.5253 0.9279 0.9279 3.0663 3.0663 4.8820 4.8820 5.5280 5.5280 7.4570 7.4570 7.9147 7.9147 8.8851 8.8851 8.9654 8.9654 9.0653 9.0653 9.4710 9.4710 9.4966 9.4966 9.9565 9.9565 11.1628 11.1628 11.3201 11.3201 13.0988 13.0988 13.2187 13.2187 k = 0.0000 0.3953-0.0000 ( 4976 PWs) bands (ev): -51.4714 -51.4714 -51.4714 -51.4714 -25.8007 -25.8007 -25.8000 -25.8000 -18.1463 -18.1463 -18.1421 -18.1421 -18.0512 -18.0512 -18.0494 -18.0494 -0.9073 -0.9073 -0.5110 -0.5110 1.0072 1.0072 2.9323 2.9323 4.8510 4.8510 5.4361 5.4361 7.5432 7.5432 7.9569 7.9569 8.8426 8.8426 8.9611 8.9611 9.0226 9.0226 9.4181 9.4181 9.5604 9.5604 10.0132 10.0132 11.1079 11.1079 11.2409 11.2409 13.1406 13.1406 13.2721 13.2721 k = 0.0000 0.4070-0.0000 ( 4980 PWs) bands (ev): -51.4713 -51.4713 -51.4713 -51.4713 -25.8010 -25.8010 -25.8004 -25.8004 -18.1475 -18.1475 -18.1438 -18.1438 -18.0512 -18.0512 -18.0497 -18.0497 -0.8578 -0.8578 -0.5000 -0.5000 1.0893 1.0893 2.8009 2.8009 4.8257 4.8257 5.3490 5.3490 7.6306 7.6306 8.0010 8.0010 8.7971 8.7971 8.9586 8.9586 8.9788 8.9788 9.3515 9.3515 9.6405 9.6405 10.0706 10.0706 11.0482 11.0482 11.1606 11.1606 13.1802 13.1802 13.3386 13.3386 k = 0.0000 0.4186-0.0000 ( 4988 PWs) bands (ev): -51.4713 -51.4713 -51.4713 -51.4713 -25.8013 -25.8013 -25.8008 -25.8008 -18.1486 -18.1486 -18.1453 -18.1453 -18.0513 -18.0513 -18.0499 -18.0499 -0.8102 -0.8102 -0.4928 -0.4928 1.1742 1.1742 2.6721 2.6721 4.8065 4.8065 5.2670 5.2670 7.7189 7.7189 8.0467 8.0467 8.7494 8.7494 8.9324 8.9324 8.9580 8.9580 9.2871 9.2871 9.7228 9.7228 10.1284 10.1284 10.9829 10.9829 11.0815 11.0815 13.2208 13.2208 13.4141 13.4141 k = 0.0000 0.4302-0.0000 ( 4986 PWs) bands (ev): -51.4712 -51.4712 -51.4712 -51.4712 -25.8015 -25.8015 -25.8011 -25.8011 -18.1496 -18.1496 -18.1467 -18.1467 -18.0513 -18.0513 -18.0500 -18.0500 -0.7649 -0.7649 -0.4894 -0.4894 1.2619 1.2619 2.5461 2.5461 4.7937 4.7937 5.1905 5.1905 7.8074 7.8074 8.0938 8.0938 8.7000 8.7000 8.8822 8.8822 8.9590 8.9590 9.2272 9.2272 9.8068 9.8068 10.1863 10.1863 10.9113 10.9113 11.0055 11.0055 13.2638 13.2638 13.4953 13.4953 k = 0.0000 0.4419-0.0000 ( 4984 PWs) bands (ev): -51.4712 -51.4712 -51.4712 -51.4712 -25.8017 -25.8017 -25.8013 -25.8013 -18.1503 -18.1503 -18.1480 -18.1480 -18.0512 -18.0512 -18.0502 -18.0502 -0.7221 -0.7221 -0.4900 -0.4900 1.3526 1.3526 2.4228 2.4228 4.7877 4.7877 5.1199 5.1199 7.8956 7.8956 8.1419 8.1419 8.6498 8.6498 8.8266 8.8266 8.9620 8.9620 9.1738 9.1738 9.8923 9.8923 10.2436 10.2436 10.8341 10.8341 10.9337 10.9337 13.3097 13.3097 13.5796 13.5796 k = 0.0000 0.4535-0.0000 ( 4988 PWs) bands (ev): -51.4712 -51.4712 -51.4712 -51.4712 -25.8018 -25.8018 -25.8015 -25.8015 -18.1510 -18.1510 -18.1491 -18.1491 -18.0511 -18.0511 -18.0503 -18.0503 -0.6822 -0.6822 -0.4949 -0.4949 1.4462 1.4462 2.3025 2.3025 4.7887 4.7887 5.0555 5.0555 7.9825 7.9825 8.1902 8.1902 8.5997 8.5997 8.7654 8.7654 8.9671 8.9671 9.1281 9.1281 9.9787 9.9787 10.2990 10.2990 10.7544 10.7544 10.8655 10.8655 13.3585 13.3585 13.6615 13.6615 k = 0.0000 0.4651-0.0000 ( 4988 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8017 -25.8017 -18.1514 -18.1514 -18.1500 -18.1500 -18.0511 -18.0511 -18.0504 -18.0504 -0.6455 -0.6455 -0.5039 -0.5039 1.5427 1.5427 2.1850 2.1850 4.7969 4.7969 4.9976 4.9976 8.0666 8.0666 8.2370 8.2370 8.5517 8.5517 8.6998 8.6998 8.9745 8.9745 9.0901 9.0901 10.0657 10.0657 10.3485 10.3485 10.6779 10.6779 10.8002 10.8002 13.4099 13.4099 13.7109 13.7109 k = 0.0000 0.4767-0.0000 ( 4978 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8018 -25.8018 -18.1516 -18.1516 -18.1506 -18.1506 -18.0510 -18.0510 -18.0505 -18.0505 -0.6121 -0.6121 -0.5173 -0.5173 1.6423 1.6423 2.0705 2.0705 4.8122 4.8122 4.9464 4.9464 8.1458 8.1458 8.2767 8.2767 8.5114 8.5114 8.6326 8.6326 8.9844 8.9844 9.0591 9.0591 10.1522 10.1522 10.3808 10.3808 10.6176 10.6176 10.7376 10.7376 13.4635 13.4635 13.6815 13.6815 k = 0.0000 0.4884-0.0000 ( 4990 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8021 -25.8021 -25.8019 -25.8019 -18.1517 -18.1517 -18.1512 -18.1512 -18.0509 -18.0509 -18.0507 -18.0507 -0.5824 -0.5824 -0.5349 -0.5349 1.7448 1.7448 1.9589 1.9589 4.8349 4.8349 4.9021 4.9021 8.2163 8.2163 8.2939 8.2939 8.4942 8.4942 8.5686 8.5686 8.9973 8.9973 9.0339 9.0339 10.2365 10.2365 10.3705 10.3705 10.5997 10.5997 10.6789 10.6789 13.5186 13.5186 13.6299 13.6299 k = 0.0000 0.5000-0.0000 ( 4984 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1516 -18.1516 -18.1516 -18.1516 -18.0508 -18.0508 -18.0508 -18.0508 -0.5566 -0.5566 -0.5566 -0.5566 1.8504 1.8504 1.8504 1.8504 4.8649 4.8649 4.8649 4.8649 8.2707 8.2707 8.2707 8.2707 8.5168 8.5168 8.5168 8.5168 9.0136 9.0136 9.0136 9.0136 10.3139 10.3139 10.3139 10.3139 10.6285 10.6285 10.6285 10.6285 13.5745 13.5745 13.5745 13.5745 k = 0.0000 0.5000-0.0000 ( 4984 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1516 -18.1516 -18.1516 -18.1516 -18.0508 -18.0508 -18.0508 -18.0508 -0.5566 -0.5566 -0.5566 -0.5566 1.8504 1.8504 1.8504 1.8504 4.8649 4.8649 4.8649 4.8649 8.2707 8.2707 8.2707 8.2707 8.5168 8.5168 8.5168 8.5168 9.0136 9.0136 9.0136 9.0136 10.3139 10.3139 10.3139 10.3139 10.6285 10.6285 10.6285 10.6285 13.5745 13.5745 13.5745 13.5745 k = 0.0116 0.5000-0.0000 ( 4980 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1515 -18.1515 -18.1515 -18.1515 -18.0509 -18.0509 -18.0508 -18.0508 -0.5560 -0.5560 -0.5560 -0.5560 1.8505 1.8505 1.8530 1.8530 4.8641 4.8641 4.8684 4.8684 8.2567 8.2567 8.2811 8.2811 8.5158 8.5158 8.5182 8.5182 8.9960 8.9960 9.0234 9.0234 10.2267 10.2267 10.3499 10.3499 10.5873 10.5873 10.7141 10.7141 13.5621 13.5621 13.5770 13.5770 k = 0.0233 0.5000-0.0000 ( 4980 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8021 -25.8021 -25.8020 -25.8020 -18.1515 -18.1515 -18.1514 -18.1514 -18.0514 -18.0514 -18.0510 -18.0510 -0.5540 -0.5540 -0.5540 -0.5540 1.8533 1.8533 1.8585 1.8585 4.8658 4.8658 4.8744 4.8744 8.2390 8.2390 8.2880 8.2880 8.5151 8.5151 8.5201 8.5201 8.9707 8.9707 9.0257 9.0257 10.1229 10.1229 10.2971 10.2971 10.6284 10.6284 10.8096 10.8096 13.5411 13.5411 13.5694 13.5694 k = 0.0349 0.5000-0.0000 ( 4994 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8023 -25.8023 -25.8021 -25.8021 -18.1514 -18.1514 -18.1513 -18.1513 -18.0521 -18.0521 -18.0516 -18.0516 -0.5508 -0.5508 -0.5507 -0.5507 1.8589 1.8589 1.8666 1.8666 4.8702 4.8702 4.8830 4.8830 8.2174 8.2174 8.2911 8.2911 8.5146 8.5146 8.5223 8.5223 8.9380 8.9380 9.0208 9.0208 10.0116 10.0116 10.1992 10.1992 10.7079 10.7079 10.9061 10.9061 13.5133 13.5133 13.5530 13.5530 k = 0.0465 0.5000-0.0000 ( 4990 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8024 -25.8024 -25.8022 -25.8022 -18.1512 -18.1512 -18.1510 -18.1510 -18.0529 -18.0529 -18.0523 -18.0523 -0.5462 -0.5462 -0.5461 -0.5461 1.8673 1.8673 1.8776 1.8776 4.8771 4.8771 4.8941 4.8941 8.1918 8.1918 8.2903 8.2903 8.5144 8.5144 8.5248 8.5248 8.8985 8.8985 9.0093 9.0093 9.8955 9.8955 10.0869 10.0869 10.7957 10.7957 11.0009 11.0009 13.4809 13.4809 13.5297 13.5297 k = 0.0581 0.5000-0.0000 ( 4990 PWs) bands (ev): -51.4710 -51.4710 -51.4710 -51.4710 -25.8026 -25.8026 -25.8023 -25.8023 -18.1510 -18.1510 -18.1507 -18.1507 -18.0540 -18.0540 -18.0532 -18.0532 -0.5404 -0.5404 -0.5402 -0.5402 1.8784 1.8784 1.8912 1.8912 4.8867 4.8867 4.9077 4.9077 8.1618 8.1618 8.2852 8.2852 8.5144 8.5144 8.5274 8.5274 8.8535 8.8535 8.9921 8.9921 9.7759 9.7759 9.9680 9.9680 10.8840 10.8840 11.0930 11.0930 13.4456 13.4456 13.5017 13.5017 k = 0.0698 0.5000-0.0000 ( 4994 PWs) bands (ev): -51.4710 -51.4710 -51.4710 -51.4710 -25.8028 -25.8028 -25.8025 -25.8025 -18.1507 -18.1507 -18.1504 -18.1504 -18.0553 -18.0553 -18.0544 -18.0544 -0.5333 -0.5333 -0.5331 -0.5331 1.8923 1.8923 1.9076 1.9076 4.8988 4.8988 4.9237 4.9237 8.1272 8.1272 8.2752 8.2752 8.5144 8.5144 8.5295 8.5295 8.8047 8.8047 8.9699 8.9699 9.6532 9.6532 9.8451 9.8451 10.9707 10.9707 11.1822 11.1822 13.4088 13.4088 13.4707 13.4707 k = 0.0814 0.5000-0.0000 ( 4990 PWs) bands (ev): -51.4709 -51.4709 -51.4709 -51.4709 -25.8030 -25.8030 -25.8027 -25.8027 -18.1504 -18.1504 -18.1500 -18.1500 -18.0568 -18.0568 -18.0557 -18.0557 -0.5249 -0.5249 -0.5247 -0.5247 1.9088 1.9088 1.9266 1.9266 4.9133 4.9133 4.9420 4.9420 8.0878 8.0878 8.2597 8.2597 8.5143 8.5143 8.5297 8.5297 8.7547 8.7547 8.9437 8.9437 9.5282 9.5282 9.7195 9.7195 11.0550 11.0550 11.2683 11.2683 13.3718 13.3718 13.4383 13.4383 k = 0.0930 0.5000-0.0000 ( 4990 PWs) bands (ev): -51.4709 -51.4709 -51.4709 -51.4709 -25.8033 -25.8033 -25.8029 -25.8029 -18.1500 -18.1500 -18.1495 -18.1495 -18.0585 -18.0585 -18.0573 -18.0573 -0.5153 -0.5153 -0.5151 -0.5151 1.9281 1.9281 1.9483 1.9483 4.9304 4.9304 4.9626 4.9626 8.0433 8.0433 8.2374 8.2374 8.5139 8.5139 8.5252 8.5252 8.7083 8.7083 8.9144 8.9144 9.4011 9.4011 9.5922 9.5922 11.1365 11.1365 11.3513 11.3513 13.3354 13.3354 13.4056 13.4056 k = 0.1047 0.5000-0.0000 ( 4986 PWs) bands (ev): -51.4708 -51.4708 -51.4708 -51.4708 -25.8035 -25.8035 -25.8032 -25.8032 -18.1495 -18.1495 -18.1490 -18.1490 -18.0603 -18.0603 -18.0590 -18.0590 -0.5046 -0.5046 -0.5044 -0.5044 1.9501 1.9501 1.9727 1.9727 4.9498 4.9498 4.9853 4.9853 7.9937 7.9937 8.2069 8.2069 8.5114 8.5114 8.5129 8.5129 8.6721 8.6721 8.8826 8.8826 9.2723 9.2723 9.4641 9.4641 11.2152 11.2152 11.4313 11.4313 13.3002 13.3002 13.3736 13.3736 k = 0.1163 0.5000-0.0000 ( 4998 PWs) bands (ev): -51.4708 -51.4708 -51.4708 -51.4708 -25.8039 -25.8039 -25.8035 -25.8035 -18.1490 -18.1490 -18.1485 -18.1485 -18.0625 -18.0625 -18.0610 -18.0610 -0.4927 -0.4927 -0.4924 -0.4924 1.9748 1.9748 1.9997 1.9997 4.9715 4.9715 5.0101 5.0101 7.9389 7.9389 8.1664 8.1664 8.4852 8.4852 8.5109 8.5109 8.6518 8.6518 8.8487 8.8487 9.1424 9.1424 9.3364 9.3364 11.2911 11.2911 11.5084 11.5084 13.2666 13.2666 13.3428 13.3428 k = 0.1279 0.5000-0.0000 ( 4994 PWs) bands (ev): -51.4707 -51.4707 -51.4707 -51.4707 -25.8042 -25.8042 -25.8038 -25.8038 -18.1485 -18.1485 -18.1479 -18.1479 -18.0647 -18.0647 -18.0631 -18.0631 -0.4797 -0.4797 -0.4794 -0.4794 2.0021 2.0021 2.0293 2.0293 4.9954 4.9954 5.0368 5.0368 7.8789 7.8789 8.1146 8.1146 8.4504 8.4504 8.5073 8.5073 8.6455 8.6455 8.8124 8.8124 9.0118 9.0118 9.2111 9.2111 11.3644 11.3644 11.5829 11.5829 13.2350 13.2350 13.3139 13.3139 k = 0.1395 0.5000-0.0000 ( 4990 PWs) bands (ev): -51.4706 -51.4706 -51.4706 -51.4706 -25.8046 -25.8046 -25.8041 -25.8041 -18.1479 -18.1479 -18.1473 -18.1473 -18.0670 -18.0670 -18.0653 -18.0653 -0.4657 -0.4657 -0.4653 -0.4653 2.0321 2.0321 2.0615 2.0615 5.0215 5.0215 5.0652 5.0652 7.8140 7.8140 8.0508 8.0508 8.4134 8.4134 8.5018 8.5018 8.6471 8.6471 8.7715 8.7715 8.8814 8.8814 9.0916 9.0916 11.4351 11.4351 11.6550 11.6550 13.2058 13.2058 13.2873 13.2873 k = 0.1512 0.5000-0.0000 ( 4978 PWs) bands (ev): -51.4705 -51.4705 -51.4705 -51.4705 -25.8049 -25.8049 -25.8044 -25.8044 -18.1473 -18.1473 -18.1466 -18.1466 -18.0695 -18.0695 -18.0676 -18.0676 -0.4506 -0.4506 -0.4501 -0.4501 2.0646 2.0646 2.0962 2.0962 5.0495 5.0495 5.0953 5.0953 7.7444 7.7444 7.9762 7.9762 8.3778 8.3778 8.4934 8.4934 8.6498 8.6498 8.7205 8.7205 8.7549 8.7549 8.9849 8.9849 11.5034 11.5034 11.7249 11.7249 13.1792 13.1792 13.2632 13.2632 k = 0.1628 0.5000-0.0000 ( 4978 PWs) bands (ev): -51.4705 -51.4705 -51.4705 -51.4705 -25.8053 -25.8053 -25.8048 -25.8048 -18.1466 -18.1466 -18.1459 -18.1459 -18.0721 -18.0721 -18.0701 -18.0701 -0.4346 -0.4346 -0.4341 -0.4341 2.0997 2.0997 2.1335 2.1335 5.0795 5.0795 5.1269 5.1269 7.6705 7.6705 7.8923 7.8923 8.3442 8.3442 8.4817 8.4817 8.6023 8.6023 8.6499 8.6499 8.6820 8.6820 8.9019 8.9019 11.5696 11.5696 11.7929 11.7929 13.1553 13.1553 13.2419 13.2419 k = 0.1744 0.5000-0.0000 ( 4966 PWs) bands (ev): -51.4704 -51.4704 -51.4704 -51.4704 -25.8057 -25.8057 -25.8052 -25.8052 -18.1459 -18.1459 -18.1452 -18.1452 -18.0748 -18.0748 -18.0727 -18.0727 -0.4176 -0.4176 -0.4171 -0.4171 2.1374 2.1374 2.1731 2.1731 5.1112 5.1112 5.1598 5.1598 7.5926 7.5926 7.8011 7.8011 8.3110 8.3110 8.4651 8.4651 8.4821 8.4821 8.5566 8.5566 8.6858 8.6858 8.8477 8.8477 11.6337 11.6337 11.8592 11.8592 13.1344 13.1344 13.2236 13.2236 k = 0.1860 0.5000-0.0000 ( 4960 PWs) bands (ev): -51.4703 -51.4703 -51.4703 -51.4703 -25.8061 -25.8061 -25.8055 -25.8055 -18.1452 -18.1452 -18.1444 -18.1444 -18.0776 -18.0776 -18.0755 -18.0755 -0.3999 -0.3999 -0.3992 -0.3992 2.1775 2.1775 2.2152 2.2152 5.1445 5.1445 5.1938 5.1938 7.5112 7.5112 7.7043 7.7043 8.2716 8.2716 8.3640 8.3640 8.4248 8.4248 8.4666 8.4666 8.6974 8.6974 8.8154 8.8154 11.6961 11.6961 11.9240 11.9240 13.1164 13.1164 13.2083 13.2083 k = 0.1977 0.5000-0.0000 ( 4956 PWs) bands (ev): -51.4702 -51.4702 -51.4702 -51.4702 -25.8065 -25.8065 -25.8060 -25.8060 -18.1445 -18.1445 -18.1437 -18.1437 -18.0805 -18.0805 -18.0783 -18.0783 -0.3814 -0.3814 -0.3806 -0.3806 2.2201 2.2201 2.2597 2.2597 5.1792 5.1792 5.2286 5.2286 7.4266 7.4266 7.6031 7.6031 8.1940 8.1940 8.2857 8.2857 8.3154 8.3154 8.4345 8.4345 8.7107 8.7107 8.7964 8.7964 11.7567 11.7567 11.9876 11.9876 13.1016 13.1016 13.1958 13.1958 k = 0.2093 0.5000-0.0000 ( 4954 PWs) bands (ev): -51.4701 -51.4701 -51.4701 -51.4701 -25.8070 -25.8070 -25.8064 -25.8064 -18.1438 -18.1438 -18.1429 -18.1429 -18.0834 -18.0834 -18.0811 -18.0811 -0.3622 -0.3622 -0.3614 -0.3614 2.2651 2.2651 2.3065 2.3065 5.2152 5.2152 5.2641 5.2641 7.3392 7.3392 7.4985 7.4985 8.0779 8.0779 8.1933 8.1933 8.2480 8.2480 8.4096 8.4096 8.7247 8.7247 8.7855 8.7855 11.8157 11.8157 12.0501 12.0501 13.0898 13.0898 13.1856 13.1856 k = 0.2209 0.5000-0.0000 ( 4950 PWs) bands (ev): -51.4700 -51.4700 -51.4700 -51.4700 -25.8074 -25.8074 -25.8068 -25.8068 -18.1430 -18.1430 -18.1421 -18.1421 -18.0864 -18.0864 -18.0841 -18.0841 -0.3423 -0.3423 -0.3415 -0.3415 2.3124 2.3124 2.3555 2.3555 5.2523 5.2523 5.3001 5.3001 7.2495 7.2495 7.3913 7.3913 7.9559 7.9559 8.0700 8.0700 8.2191 8.2191 8.3836 8.3836 8.7390 8.7390 8.7799 8.7799 11.8732 11.8732 12.1115 12.1115 13.0810 13.0810 13.1769 13.1769 k = 0.2326 0.5000-0.0000 ( 4952 PWs) bands (ev): -51.4699 -51.4699 -51.4699 -51.4699 -25.8079 -25.8079 -25.8073 -25.8073 -18.1423 -18.1423 -18.1414 -18.1414 -18.0894 -18.0894 -18.0870 -18.0870 -0.3220 -0.3220 -0.3211 -0.3211 2.3621 2.3621 2.4068 2.4068 5.2902 5.2902 5.3362 5.3362 7.1575 7.1575 7.2820 7.2820 7.8347 7.8347 7.9476 7.9476 8.1924 8.1924 8.3565 8.3565 8.7534 8.7534 8.7778 8.7778 11.9291 11.9291 12.1719 12.1719 13.0749 13.0749 13.1683 13.1683 k = 0.2442 0.5000-0.0000 ( 4960 PWs) bands (ev): -51.4698 -51.4698 -51.4698 -51.4698 -25.8084 -25.8084 -25.8078 -25.8078 -18.1416 -18.1416 -18.1406 -18.1406 -18.0925 -18.0925 -18.0900 -18.0900 -0.3013 -0.3013 -0.3002 -0.3002 2.4140 2.4140 2.4602 2.4602 5.3287 5.3287 5.3721 5.3721 7.0637 7.0637 7.1709 7.1709 7.7161 7.7161 7.8276 7.8276 8.1669 8.1669 8.3286 8.3286 8.7677 8.7677 8.7783 8.7783 11.9834 11.9834 12.2312 12.2312 13.0709 13.0709 13.1578 13.1578 k = 0.2558 0.5000-0.0000 ( 4960 PWs) bands (ev): -51.4697 -51.4697 -51.4697 -51.4697 -25.8089 -25.8089 -25.8083 -25.8083 -18.1409 -18.1409 -18.1399 -18.1399 -18.0955 -18.0955 -18.0930 -18.0930 -0.2802 -0.2802 -0.2791 -0.2791 2.4680 2.4680 2.5156 2.5156 5.3676 5.3676 5.4076 5.4076 6.9682 6.9682 7.0586 7.0586 7.6008 7.6008 7.7108 7.7108 8.1422 8.1422 8.3001 8.3001 8.7806 8.7806 8.7817 8.7817 12.0359 12.0359 12.2890 12.2890 13.0681 13.0681 13.1442 13.1442 k = 0.2674 0.5000-0.0000 ( 4952 PWs) bands (ev): -51.4696 -51.4696 -51.4696 -51.4696 -25.8094 -25.8094 -25.8088 -25.8088 -18.1402 -18.1402 -18.1392 -18.1392 -18.0984 -18.0984 -18.0959 -18.0959 -0.2589 -0.2589 -0.2577 -0.2577 2.5242 2.5242 2.5730 2.5730 5.4065 5.4065 5.4424 5.4424 6.8710 6.8710 6.9451 6.9451 7.4897 7.4897 7.5981 7.5981 8.1181 8.1181 8.2715 8.2715 8.7841 8.7841 8.7953 8.7953 12.0863 12.0863 12.3447 12.3447 13.0656 13.0656 13.1273 13.1273 k = 0.2791 0.5000-0.0000 ( 4956 PWs) bands (ev): -51.4695 -51.4695 -51.4695 -51.4695 -25.8099 -25.8099 -25.8093 -25.8093 -18.1396 -18.1396 -18.1385 -18.1385 -18.1014 -18.1014 -18.0988 -18.0988 -0.2374 -0.2374 -0.2362 -0.2362 2.5824 2.5824 2.6323 2.6323 5.4452 5.4452 5.4761 5.4761 6.7725 6.7725 6.8310 6.8310 7.3831 7.3831 7.4903 7.4903 8.0946 8.0946 8.2429 8.2429 8.7885 8.7885 8.8084 8.8084 12.1340 12.1340 12.3975 12.3975 13.0619 13.0619 13.1087 13.1087 k = 0.2907 0.5000-0.0000 ( 4948 PWs) bands (ev): -51.4694 -51.4694 -51.4694 -51.4694 -25.8103 -25.8103 -25.8097 -25.8097 -18.1389 -18.1389 -18.1378 -18.1378 -18.1042 -18.1042 -18.1016 -18.1016 -0.2160 -0.2160 -0.2147 -0.2147 2.6424 2.6424 2.6933 2.6933 5.4833 5.4833 5.5084 5.5084 6.6726 6.6726 6.7163 6.7163 7.2816 7.2816 7.3879 7.3879 8.0719 8.0719 8.2145 8.2145 8.7935 8.7935 8.8209 8.8209 12.1782 12.1782 12.4458 12.4458 13.0568 13.0568 13.0909 13.0909 k = 0.3023 0.5000-0.0000 ( 4948 PWs) bands (ev): -51.4693 -51.4693 -51.4693 -51.4693 -25.8107 -25.8107 -25.8102 -25.8102 -18.1384 -18.1384 -18.1372 -18.1372 -18.1069 -18.1069 -18.1044 -18.1044 -0.1947 -0.1947 -0.1934 -0.1934 2.7042 2.7042 2.7560 2.7560 5.5203 5.5203 5.5388 5.5388 6.5716 6.5716 6.6016 6.6016 7.1856 7.1856 7.2916 7.2916 8.0499 8.0499 8.1866 8.1866 8.7989 8.7989 8.8326 8.8326 12.2182 12.2182 12.4876 12.4876 13.0518 13.0518 13.0760 13.0760 k = 0.3140 0.5000-0.0000 ( 4946 PWs) bands (ev): -51.4692 -51.4692 -51.4692 -51.4692 -25.8112 -25.8112 -25.8106 -25.8106 -18.1379 -18.1379 -18.1366 -18.1366 -18.1095 -18.1095 -18.1070 -18.1070 -0.1736 -0.1736 -0.1723 -0.1723 2.7677 2.7677 2.8201 2.8201 5.5560 5.5560 5.5671 5.5671 6.4697 6.4697 6.4873 6.4873 7.0954 7.0954 7.2018 7.2018 8.0289 8.0289 8.1592 8.1592 8.8046 8.8046 8.8437 8.8437 12.2527 12.2527 12.5201 12.5201 13.0502 13.0502 13.0664 13.0664 k = 0.3256 0.5000-0.0000 ( 4938 PWs) bands (ev): -51.4691 -51.4691 -51.4691 -51.4691 -25.8115 -25.8115 -25.8110 -25.8110 -18.1374 -18.1374 -18.1362 -18.1362 -18.1120 -18.1120 -18.1094 -18.1094 -0.1529 -0.1529 -0.1515 -0.1515 2.8327 2.8327 2.8855 2.8855 5.5896 5.5896 5.5927 5.5927 6.3675 6.3675 6.3738 6.3738 7.0115 7.0115 7.1188 7.1188 8.0087 8.0087 8.1325 8.1325 8.8104 8.8104 8.8539 8.8539 12.2806 12.2806 12.5406 12.5406 13.0563 13.0563 13.0640 13.0640 k = 0.3372 0.5000-0.0000 ( 4942 PWs) bands (ev): -51.4690 -51.4690 -51.4690 -51.4690 -25.8120 -25.8120 -25.8115 -25.8115 -18.1371 -18.1371 -18.1358 -18.1358 -18.1142 -18.1142 -18.1118 -18.1118 -0.1327 -0.1327 -0.1313 -0.1313 2.8989 2.8989 2.9521 2.9521 5.6153 5.6153 5.6206 5.6206 6.2617 6.2617 6.2653 6.2653 6.9342 6.9342 7.0429 7.0429 7.9897 7.9897 8.1067 8.1067 8.8164 8.8164 8.8632 8.8632 12.3011 12.3011 12.5475 12.5475 13.0703 13.0703 13.0731 13.0731 k = 0.3488 0.5000-0.0000 ( 4938 PWs) bands (ev): -51.4690 -51.4690 -51.4690 -51.4690 -25.8123 -25.8123 -25.8119 -25.8119 -18.1368 -18.1368 -18.1356 -18.1356 -18.1163 -18.1163 -18.1139 -18.1139 -0.1131 -0.1131 -0.1117 -0.1117 2.9662 2.9662 3.0194 3.0194 5.6344 5.6344 5.6482 5.6482 6.1520 6.1520 6.1641 6.1641 6.8638 6.8638 6.9741 6.9741 7.9718 7.9718 8.0818 8.0818 8.8225 8.8225 8.8716 8.8716 12.3138 12.3138 12.5414 12.5414 13.0863 13.0863 13.1015 13.1015 k = 0.3605 0.5000-0.0000 ( 4938 PWs) bands (ev): -51.4689 -51.4689 -51.4689 -51.4689 -25.8127 -25.8127 -25.8122 -25.8122 -18.1367 -18.1367 -18.1355 -18.1355 -18.1181 -18.1181 -18.1158 -18.1158 -0.0943 -0.0943 -0.0929 -0.0929 3.0343 3.0343 3.0872 3.0872 5.6490 5.6490 5.6711 5.6711 6.0459 6.0459 6.0650 6.0650 6.8006 6.8006 6.9125 6.9125 7.9552 7.9552 8.0580 8.0580 8.8286 8.8286 8.8790 8.8790 12.3189 12.3189 12.5247 12.5247 13.1122 13.1122 13.1396 13.1396 k = 0.3721 0.5000-0.0000 ( 4948 PWs) bands (ev): -51.4688 -51.4688 -51.4688 -51.4688 -25.8131 -25.8131 -25.8127 -25.8127 -18.1368 -18.1368 -18.1357 -18.1357 -18.1196 -18.1196 -18.1175 -18.1175 -0.0763 -0.0763 -0.0750 -0.0750 3.1028 3.1028 3.1552 3.1552 5.6578 5.6578 5.6866 5.6866 5.9462 5.9462 5.9701 5.9701 6.7450 6.7450 6.8577 6.8577 7.9399 7.9399 8.0353 8.0353 8.8347 8.8347 8.8855 8.8855 12.3175 12.3175 12.5006 12.5006 13.1471 13.1471 13.1850 13.1850 k = 0.3837 0.5000-0.0000 ( 4948 PWs) bands (ev): -51.4687 -51.4687 -51.4687 -51.4687 -25.8134 -25.8134 -25.8130 -25.8130 -18.1370 -18.1370 -18.1360 -18.1360 -18.1208 -18.1208 -18.1189 -18.1189 -0.0594 -0.0594 -0.0581 -0.0581 3.1714 3.1714 3.2228 3.2228 5.6572 5.6572 5.6874 5.6874 5.8606 5.8606 5.8837 5.8837 6.6972 6.6972 6.8097 6.8097 7.9261 7.9261 8.0138 8.0138 8.8408 8.8408 8.8910 8.8910 12.3109 12.3109 12.4718 12.4718 13.1899 13.1899 13.2352 13.2352 k = 0.3953 0.5000-0.0000 ( 4944 PWs) bands (ev): -51.4687 -51.4687 -51.4687 -51.4687 -25.8137 -25.8137 -25.8133 -25.8133 -18.1373 -18.1373 -18.1365 -18.1365 -18.1217 -18.1217 -18.1200 -18.1200 -0.0436 -0.0436 -0.0424 -0.0424 3.2394 3.2394 3.2894 3.2894 5.6389 5.6389 5.6558 5.6558 5.8070 5.8070 5.8152 5.8152 6.6573 6.6573 6.7678 6.7678 7.9138 7.9138 7.9936 7.9936 8.8470 8.8470 8.8955 8.8955 12.3007 12.3007 12.4409 12.4409 13.2389 13.2389 13.2880 13.2880 k = 0.4070 0.5000-0.0000 ( 4940 PWs) bands (ev): -51.4686 -51.4686 -51.4686 -51.4686 -25.8139 -25.8139 -25.8136 -25.8136 -18.1378 -18.1378 -18.1371 -18.1371 -18.1223 -18.1223 -18.1208 -18.1208 -0.0291 -0.0291 -0.0280 -0.0280 3.3063 3.3063 3.3544 3.3544 5.5891 5.5891 5.5930 5.5930 5.7755 5.7755 5.7894 5.7894 6.6251 6.6251 6.7316 6.7316 7.9031 7.9031 7.9748 7.9748 8.8530 8.8530 8.8990 8.8990 12.2886 12.2886 12.4093 12.4093 13.2925 13.2925 13.3419 13.3419 k = 0.4186 0.5000-0.0000 ( 4940 PWs) bands (ev): -51.4686 -51.4686 -51.4686 -51.4686 -25.8142 -25.8142 -25.8139 -25.8139 -18.1383 -18.1383 -18.1377 -18.1377 -18.1228 -18.1228 -18.1215 -18.1215 -0.0160 -0.0160 -0.0150 -0.0150 3.3712 3.3712 3.4167 3.4167 5.5105 5.5105 5.5266 5.5266 5.7590 5.7590 5.7854 5.7854 6.6005 6.6005 6.7006 6.7006 7.8941 7.8941 7.9574 7.9574 8.8590 8.8590 8.9015 8.9015 12.2757 12.2757 12.3786 12.3786 13.3488 13.3488 13.3954 13.3954 k = 0.4302 0.5000-0.0000 ( 4940 PWs) bands (ev): -51.4685 -51.4685 -51.4685 -51.4685 -25.8144 -25.8144 -25.8141 -25.8141 -18.1389 -18.1389 -18.1384 -18.1384 -18.1230 -18.1230 -18.1220 -18.1220 -0.0044 -0.0044 -0.0034 -0.0034 3.4332 3.4332 3.4752 3.4752 5.4332 5.4332 5.4543 5.4543 5.7529 5.7529 5.7836 5.7836 6.5828 6.5828 6.6740 6.6740 7.8868 7.8868 7.9415 7.9415 8.8649 8.8649 8.9031 8.9031 12.2634 12.2634 12.3495 12.3495 13.4060 13.4060 13.4474 13.4474 k = 0.4419 0.5000-0.0000 ( 4948 PWs) bands (ev): -51.4685 -51.4685 -51.4685 -51.4685 -25.8146 -25.8146 -25.8144 -25.8144 -18.1395 -18.1395 -18.1392 -18.1392 -18.1232 -18.1232 -18.1224 -18.1224 0.0056 0.0056 0.0064 0.0064 3.4908 3.4908 3.5285 3.5285 5.3622 5.3622 5.3844 5.3844 5.7506 5.7506 5.7812 5.7812 6.5714 6.5714 6.6513 6.6513 7.8813 7.8813 7.9272 7.9272 8.8707 8.8707 8.9037 8.9037 12.2525 12.2525 12.3229 12.3229 13.4619 13.4619 13.4964 13.4964 k = 0.4535 0.5000-0.0000 ( 4944 PWs) bands (ev): -51.4685 -51.4685 -51.4685 -51.4685 -25.8147 -25.8147 -25.8145 -25.8145 -18.1400 -18.1400 -18.1398 -18.1398 -18.1232 -18.1232 -18.1226 -18.1226 0.0140 0.0140 0.0146 0.0146 3.5427 3.5427 3.5749 3.5749 5.3004 5.3004 5.3213 5.3213 5.7501 5.7501 5.7776 5.7776 6.5653 6.5653 6.6319 6.6319 7.8776 7.8776 7.9146 7.9146 8.8762 8.8762 8.9035 8.9035 12.2439 12.2439 12.2993 12.2993 13.5142 13.5142 13.5408 13.5408 k = 0.4651 0.5000-0.0000 ( 4940 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8148 -25.8148 -25.8146 -25.8146 -18.1404 -18.1404 -18.1402 -18.1402 -18.1232 -18.1232 -18.1228 -18.1228 0.0206 0.0206 0.0211 0.0211 3.5871 3.5871 3.6127 3.6127 5.2501 5.2501 5.2677 5.2677 5.7509 5.7509 5.7730 5.7730 6.5638 6.5638 6.6153 6.6153 7.8758 7.8758 7.9037 7.9037 8.8814 8.8814 8.9024 8.9024 12.2380 12.2380 12.2791 12.2791 13.5600 13.5600 13.5787 13.5787 k = 0.4767 0.5000-0.0000 ( 4944 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8148 -25.8148 -18.1407 -18.1407 -18.1406 -18.1406 -18.1232 -18.1232 -18.1229 -18.1229 0.0254 0.0254 0.0257 0.0257 3.6220 3.6220 3.6399 3.6399 5.2134 5.2134 5.2262 5.2262 5.7526 5.7526 5.7681 5.7681 6.5660 6.5660 6.6011 6.6011 7.8758 7.8758 7.8944 7.8944 8.8862 8.8862 8.9005 8.9005 12.2354 12.2354 12.2625 12.2625 13.5963 13.5963 13.6079 13.6079 k = 0.4884 0.5000-0.0000 ( 4928 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8148 -25.8148 -25.8148 -25.8148 -18.1409 -18.1409 -18.1408 -18.1408 -18.1231 -18.1231 -18.1229 -18.1229 0.0283 0.0283 0.0284 0.0284 3.6459 3.6459 3.6551 3.6551 5.1921 5.1921 5.1988 5.1988 5.7553 5.7553 5.7633 5.7633 6.5712 6.5712 6.5890 6.5890 7.8777 7.8777 7.8870 7.8870 8.8907 8.8907 8.8979 8.8979 12.2363 12.2363 12.2499 12.2499 13.6204 13.6204 13.6258 13.6258 k = 0.5000 0.5000-0.0000 ( 4916 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8147 -25.8147 -25.8147 -25.8147 -18.1409 -18.1409 -18.1409 -18.1409 -18.1230 -18.1230 -18.1230 -18.1230 0.0293 0.0293 0.0293 0.0293 3.6571 3.6571 3.6571 3.6571 5.1872 5.1872 5.1872 5.1872 5.7589 5.7589 5.7589 5.7589 6.5790 6.5790 6.5790 6.5790 7.8814 7.8814 7.8814 7.8814 8.8946 8.8946 8.8946 8.8946 12.2411 12.2411 12.2411 12.2411 13.6303 13.6303 13.6303 13.6303 k = 0.5000 0.5000-0.0000 ( 4916 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8147 -25.8147 -25.8147 -25.8147 -18.1409 -18.1409 -18.1409 -18.1409 -18.1230 -18.1230 -18.1230 -18.1230 0.0293 0.0293 0.0293 0.0293 3.6571 3.6571 3.6571 3.6571 5.1872 5.1872 5.1872 5.1872 5.7589 5.7589 5.7589 5.7589 6.5790 6.5790 6.5790 6.5790 7.8814 7.8814 7.8814 7.8814 8.8946 8.8946 8.8946 8.8946 12.2411 12.2411 12.2411 12.2411 13.6303 13.6303 13.6303 13.6303 k = 0.4918 0.4918-0.0000 ( 4924 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8148 -25.8148 -25.8147 -25.8147 -18.1408 -18.1408 -18.1408 -18.1408 -18.1231 -18.1231 -18.1229 -18.1229 0.0279 0.0279 0.0289 0.0289 3.6414 3.6414 3.6597 3.6597 5.1866 5.1866 5.2041 5.2041 5.7552 5.7552 5.7633 5.7633 6.5712 6.5712 6.5890 6.5890 7.8773 7.8773 7.8874 7.8874 8.8906 8.8906 8.8979 8.8979 12.2362 12.2362 12.2500 12.2500 13.6144 13.6144 13.6320 13.6320 k = 0.4836 0.4836-0.0000 ( 4938 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8148 -25.8148 -25.8147 -25.8147 -18.1407 -18.1407 -18.1406 -18.1406 -18.1232 -18.1232 -18.1229 -18.1229 0.0235 0.0235 0.0276 0.0276 3.5998 3.5998 3.6636 3.6636 5.1869 5.1869 5.2512 5.2512 5.7520 5.7520 5.7689 5.7689 6.5657 6.5657 6.6010 6.6010 7.8728 7.8728 7.8973 7.8973 8.8858 8.8858 8.9012 8.9012 12.2341 12.2341 12.2635 12.2635 13.5708 13.5708 13.6356 13.6356 k = 0.4754 0.4754-0.0000 ( 4946 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8148 -25.8148 -25.8147 -25.8147 -18.1404 -18.1404 -18.1403 -18.1403 -18.1232 -18.1232 -18.1228 -18.1228 0.0163 0.0163 0.0254 0.0254 3.5355 3.5355 3.6702 3.6702 5.1875 5.1875 5.3245 5.3245 5.7492 5.7492 5.7760 5.7760 6.5623 6.5623 6.6150 6.6150 7.8667 7.8667 7.9119 7.9119 8.8801 8.8801 8.9047 8.9047 12.2340 12.2340 12.2819 12.2819 13.5058 13.5058 13.6413 13.6413 k = 0.4672 0.4672-0.0000 ( 4950 PWs) bands (ev): -51.4685 -51.4685 -51.4685 -51.4685 -25.8147 -25.8147 -25.8146 -25.8146 -18.1399 -18.1399 -18.1398 -18.1398 -18.1233 -18.1233 -18.1227 -18.1227 0.0062 0.0062 0.0222 0.0222 3.4538 3.4538 3.6793 3.6793 5.1884 5.1884 5.4187 5.4187 5.7470 5.7470 5.7849 5.7849 6.5612 6.5612 6.6309 6.6309 7.8585 7.8585 7.9312 7.9312 8.8739 8.8739 8.9087 8.9087 12.2354 12.2354 12.3047 12.3047 13.4269 13.4269 13.6484 13.6484 k = 0.4590 0.4590-0.0000 ( 4958 PWs) bands (ev): -51.4685 -51.4685 -51.4685 -51.4685 -25.8146 -25.8146 -25.8144 -25.8144 -18.1393 -18.1393 -18.1391 -18.1391 -18.1233 -18.1233 -18.1226 -18.1226 -0.0068 -0.0068 0.0182 0.0182 3.3594 3.3594 3.6910 3.6910 5.1898 5.1898 5.5282 5.5282 5.7462 5.7462 5.7957 5.7957 6.5622 6.5622 6.6482 6.6482 7.8481 7.8481 7.9547 7.9547 8.8679 8.8679 8.9135 8.9135 12.2377 12.2377 12.3306 12.3306 13.3398 13.3398 13.6557 13.6557 k = 0.4508 0.4508-0.0000 ( 4948 PWs) bands (ev): -51.4685 -51.4685 -51.4685 -51.4685 -25.8144 -25.8144 -25.8142 -25.8142 -18.1385 -18.1385 -18.1383 -18.1383 -18.1233 -18.1233 -18.1224 -18.1224 -0.0226 -0.0226 0.0132 0.0132 3.2561 3.2561 3.7053 3.7053 5.1919 5.1919 5.6451 5.6451 5.7508 5.7508 5.8089 5.8089 6.5652 6.5652 6.6670 6.6670 7.8355 7.8355 7.9816 7.9816 8.8628 8.8628 8.9192 8.9192 12.2410 12.2410 12.3582 12.3582 13.2492 13.2492 13.6608 13.6608 k = 0.4426 0.4426-0.0000 ( 4948 PWs) bands (ev): -51.4686 -51.4686 -51.4686 -51.4686 -25.8142 -25.8142 -25.8139 -25.8139 -18.1376 -18.1376 -18.1373 -18.1373 -18.1232 -18.1232 -18.1222 -18.1222 -0.0412 -0.0412 0.0071 0.0071 3.1470 3.1470 3.7222 3.7222 5.1947 5.1947 5.7225 5.7225 5.8011 5.8011 5.8285 5.8285 6.5701 6.5701 6.6869 6.6869 7.8208 7.8208 8.0109 8.0109 8.8594 8.8594 8.9258 8.9258 12.2448 12.2448 12.3856 12.3856 13.1580 13.1580 13.6595 13.6595 k = 0.4344 0.4344-0.0000 ( 4952 PWs) bands (ev): -51.4686 -51.4686 -51.4686 -51.4686 -25.8140 -25.8140 -25.8136 -25.8136 -18.1366 -18.1366 -18.1362 -18.1362 -18.1232 -18.1232 -18.1220 -18.1220 -0.0626 -0.0626 0.0001 0.0001 3.0341 3.0341 3.7417 3.7417 5.1985 5.1985 5.7342 5.7342 5.8379 5.8379 5.9380 5.9380 6.5770 6.5770 6.7076 6.7076 7.8043 7.8043 8.0417 8.0417 8.8586 8.8586 8.9334 8.9334 12.2492 12.2492 12.4109 12.4109 13.0687 13.0687 13.6452 13.6452 k = 0.4262 0.4262-0.0000 ( 4956 PWs) bands (ev): -51.4687 -51.4687 -51.4687 -51.4687 -25.8138 -25.8138 -25.8134 -25.8134 -18.1354 -18.1354 -18.1350 -18.1350 -18.1232 -18.1232 -18.1218 -18.1218 -0.0868 -0.0868 -0.0081 -0.0081 2.9188 2.9188 3.7638 3.7638 5.2034 5.2034 5.7394 5.7394 5.8576 5.8576 6.0799 6.0799 6.5860 6.5860 6.7289 6.7289 7.7864 7.7864 8.0728 8.0728 8.8608 8.8608 8.9421 8.9421 12.2537 12.2537 12.4324 12.4324 12.9832 12.9832 13.6130 13.6130 k = 0.4180 0.4180-0.0000 ( 4960 PWs) bands (ev): -51.4688 -51.4688 -51.4687 -51.4687 -25.8135 -25.8135 -25.8130 -25.8130 -18.1342 -18.1342 -18.1337 -18.1337 -18.1231 -18.1231 -18.1216 -18.1216 -0.1136 -0.1136 -0.0175 -0.0175 2.8025 2.8025 3.7884 3.7884 5.2098 5.2098 5.7457 5.7457 5.8789 5.8789 6.2257 6.2257 6.5983 6.5983 6.7507 6.7507 7.7680 7.7680 8.1031 8.1031 8.8667 8.8667 8.9520 8.9520 12.2580 12.2580 12.4489 12.4489 12.9027 12.9027 13.5658 13.5658 k = 0.4098 0.4098-0.0000 ( 4960 PWs) bands (ev): -51.4688 -51.4688 -51.4688 -51.4688 -25.8131 -25.8131 -25.8127 -25.8127 -18.1328 -18.1328 -18.1322 -18.1322 -18.1230 -18.1230 -18.1213 -18.1213 -0.1430 -0.1430 -0.0280 -0.0280 2.6858 2.6858 3.8156 3.8156 5.2177 5.2177 5.7542 5.7542 5.9023 5.9023 6.3683 6.3683 6.6181 6.6181 6.7729 6.7729 7.7499 7.7499 8.1314 8.1314 8.8762 8.8762 8.9632 8.9632 12.2613 12.2613 12.4599 12.4599 12.8284 12.8284 13.5099 13.5099 k = 0.4016 0.4016-0.0000 ( 4957 PWs) bands (ev): -51.4689 -51.4689 -51.4689 -51.4689 -25.8128 -25.8128 -25.8122 -25.8122 -18.1312 -18.1312 -18.1305 -18.1305 -18.1229 -18.1229 -18.1210 -18.1210 -0.1750 -0.1750 -0.0398 -0.0398 2.5694 2.5694 3.8454 3.8454 5.2275 5.2275 5.7655 5.7655 5.9277 5.9277 6.4872 6.4872 6.6644 6.6644 6.7954 6.7954 7.7330 7.7330 8.1567 8.1567 8.8896 8.8896 8.9759 8.9759 12.2620 12.2620 12.4665 12.4665 12.7609 12.7609 13.4479 13.4479 k = 0.3934 0.3934-0.0000 ( 4959 PWs) bands (ev): -51.4690 -51.4690 -51.4690 -51.4690 -25.8124 -25.8124 -25.8118 -25.8118 -18.1297 -18.1297 -18.1288 -18.1288 -18.1228 -18.1228 -18.1206 -18.1206 -0.2095 -0.2095 -0.0530 -0.0530 2.4538 2.4538 3.8777 3.8777 5.2392 5.2392 5.7800 5.7800 5.9551 5.9551 6.5472 6.5472 6.7694 6.7694 6.8196 6.8196 7.7186 7.7186 8.1781 8.1781 8.9064 8.9064 8.9902 8.9902 12.2579 12.2579 12.4708 12.4708 12.7008 12.7008 13.3793 13.3793 k = 0.3852 0.3852-0.0000 ( 4959 PWs) bands (ev): -51.4691 -51.4691 -51.4691 -51.4691 -25.8120 -25.8120 -25.8114 -25.8114 -18.1281 -18.1281 -18.1269 -18.1269 -18.1226 -18.1226 -18.1201 -18.1201 -0.2464 -0.2464 -0.0674 -0.0674 2.3393 2.3393 3.9126 3.9126 5.2533 5.2533 5.7979 5.7979 5.9847 5.9847 6.5670 6.5670 6.8386 6.8386 6.9201 6.9201 7.7076 7.7076 8.1946 8.1946 8.9261 8.9261 9.0068 9.0068 12.2464 12.2464 12.4750 12.4750 12.6496 12.6496 13.3040 13.3040 k = 0.3770 0.3770-0.0000 ( 4959 PWs) bands (ev): -51.4692 -51.4692 -51.4692 -51.4692 -25.8115 -25.8115 -25.8109 -25.8109 -18.1265 -18.1265 -18.1249 -18.1249 -18.1223 -18.1223 -18.1196 -18.1196 -0.2855 -0.2855 -0.0833 -0.0833 2.2263 2.2263 3.9500 3.9500 5.2697 5.2697 5.8192 5.8192 6.0163 6.0163 6.5723 6.5723 6.8633 6.8633 7.0789 7.0789 7.7010 7.7010 8.2058 8.2058 8.9479 8.9479 9.0261 9.0261 12.2258 12.2258 12.4767 12.4767 12.6127 12.6127 13.2239 13.2240 k = 0.3689 0.3689-0.0000 ( 4959 PWs) bands (ev): -51.4693 -51.4693 -51.4693 -51.4693 -25.8110 -25.8110 -25.8104 -25.8104 -18.1251 -18.1251 -18.1228 -18.1228 -18.1219 -18.1219 -18.1189 -18.1189 -0.3269 -0.3269 -0.1006 -0.1006 2.1149 2.1149 3.9899 3.9899 5.2887 5.2887 5.8443 5.8443 6.0500 6.0500 6.5698 6.5698 6.8885 6.8885 7.2430 7.2430 7.6997 7.6997 8.2114 8.2114 8.9707 8.9707 9.0491 9.0491 12.1962 12.1962 12.4643 12.4643 12.6031 12.6031 13.1412 13.1412 k = 0.3607 0.3607-0.0000 ( 4951 PWs) bands (ev): -51.4694 -51.4694 -51.4694 -51.4694 -25.8105 -25.8105 -25.8098 -25.8098 -18.1240 -18.1240 -18.1213 -18.1213 -18.1205 -18.1205 -18.1178 -18.1178 -0.3703 -0.3703 -0.1193 -0.1193 2.0055 2.0055 4.0324 4.0324 5.3105 5.3105 5.8730 5.8730 6.0857 6.0857 6.5615 6.5615 6.9151 6.9151 7.4085 7.4085 7.7044 7.7044 8.2117 8.2117 8.9933 8.9933 9.0766 9.0766 12.1590 12.1590 12.4326 12.4326 12.6260 12.6260 13.0572 13.0572 k = 0.3525 0.3525-0.0000 ( 4941 PWs) bands (ev): -51.4695 -51.4695 -51.4695 -51.4695 -25.8099 -25.8099 -25.8092 -25.8092 -18.1234 -18.1234 -18.1205 -18.1205 -18.1182 -18.1182 -18.1163 -18.1163 -0.4156 -0.4156 -0.1395 -0.1395 1.8981 1.8981 4.0773 4.0773 5.3352 5.3352 5.9053 5.9053 6.1233 6.1233 6.5479 6.5479 6.9434 6.9434 7.5706 7.5706 7.7175 7.7175 8.2081 8.2081 9.0151 9.0151 9.1090 9.1090 12.1160 12.1160 12.3911 12.3911 12.6720 12.6720 12.9725 12.9725 k = 0.3443 0.3443-0.0000 ( 4939 PWs) bands (ev): -51.4696 -51.4696 -51.4696 -51.4696 -25.8094 -25.8094 -25.8086 -25.8086 -18.1230 -18.1230 -18.1199 -18.1199 -18.1157 -18.1157 -18.1144 -18.1144 -0.4628 -0.4628 -0.1612 -0.1612 1.7929 1.7929 4.1247 4.1247 5.3628 5.3628 5.9411 5.9411 6.1628 6.1628 6.5299 6.5299 6.9737 6.9737 7.6981 7.6981 7.7657 7.7657 8.2044 8.2044 9.0362 9.0362 9.1461 9.1461 12.0685 12.0685 12.3467 12.3467 12.7339 12.7339 12.8875 12.8875 k = 0.3361 0.3361-0.0000 ( 4939 PWs) bands (ev): -51.4697 -51.4697 -51.4697 -51.4697 -25.8088 -25.8088 -25.8079 -25.8079 -18.1227 -18.1227 -18.1193 -18.1193 -18.1132 -18.1132 -18.1122 -18.1122 -0.5117 -0.5117 -0.1844 -0.1844 1.6901 1.6901 4.1746 4.1746 5.3935 5.3935 5.9803 5.9803 6.2039 6.2039 6.5083 6.5083 7.0061 7.0061 7.7364 7.7364 7.8914 7.8914 8.2125 8.2125 9.0568 9.0568 9.1872 9.1872 12.0175 12.0175 12.3023 12.3023 12.7987 12.7987 12.8127 12.8127 k = 0.3279 0.3279-0.0000 ( 4931 PWs) bands (ev): -51.4698 -51.4698 -51.4698 -51.4698 -25.8082 -25.8082 -25.8073 -25.8073 -18.1224 -18.1224 -18.1188 -18.1188 -18.1105 -18.1105 -18.1098 -18.1098 -0.5621 -0.5621 -0.2090 -0.2090 1.5896 1.5896 4.2270 4.2270 5.4273 5.4273 6.0227 6.0227 6.2463 6.2463 6.4842 6.4842 7.0406 7.0406 7.7632 7.7632 7.9837 7.9837 8.2651 8.2651 9.0773 9.0773 9.2316 9.2316 11.9638 11.9638 12.2594 12.2594 12.7164 12.7164 12.8966 12.8966 k = 0.3197 0.3197-0.0000 ( 4933 PWs) bands (ev): -51.4700 -51.4700 -51.4699 -51.4699 -25.8076 -25.8076 -25.8066 -25.8066 -18.1222 -18.1222 -18.1183 -18.1183 -18.1078 -18.1078 -18.1072 -18.1072 -0.6139 -0.6139 -0.2350 -0.2350 1.4916 1.4916 4.2817 4.2817 5.4642 5.4642 6.0678 6.0678 6.2887 6.2887 6.4598 6.4598 7.0771 7.0771 7.7920 7.7920 8.0070 8.0070 8.3845 8.3845 9.0982 9.0982 9.2787 9.2787 11.9081 11.9081 12.2190 12.2190 12.6310 12.6310 12.9937 12.9937 k = 0.3115 0.3115-0.0000 ( 4935 PWs) bands (ev): -51.4701 -51.4701 -51.4701 -51.4701 -25.8069 -25.8069 -25.8060 -25.8060 -18.1220 -18.1220 -18.1178 -18.1178 -18.1050 -18.1050 -18.1045 -18.1045 -0.6669 -0.6669 -0.2625 -0.2625 1.3962 1.3962 4.3389 4.3389 5.5041 5.5041 6.1154 6.1154 6.3269 6.3269 6.4402 6.4402 7.1154 7.1154 7.8232 7.8232 7.9918 7.9918 8.5392 8.5392 9.1199 9.1199 9.3280 9.3280 11.8513 11.8513 12.1815 12.1815 12.5455 12.5455 13.0991 13.0991 k = 0.3033 0.3033-0.0000 ( 4937 PWs) bands (ev): -51.4702 -51.4702 -51.4702 -51.4702 -25.8063 -25.8063 -25.8053 -25.8053 -18.1217 -18.1217 -18.1173 -18.1173 -18.1022 -18.1022 -18.1017 -18.1017 -0.7209 -0.7209 -0.2912 -0.2912 1.3033 1.3033 4.3985 4.3985 5.5470 5.5470 6.1649 6.1649 6.3459 6.3459 6.4412 6.4412 7.1555 7.1555 7.8558 7.8558 7.9631 7.9631 8.7057 8.7057 9.1426 9.1426 9.3787 9.3787 11.7943 11.7943 12.1472 12.1472 12.4599 12.4599 13.2077 13.2077 k = 0.2951 0.2951-0.0000 ( 4957 PWs) bands (ev): -51.4704 -51.4704 -51.4703 -51.4703 -25.8058 -25.8058 -25.8047 -25.8047 -18.1215 -18.1215 -18.1169 -18.1169 -18.0994 -18.0994 -18.0990 -18.0990 -0.7759 -0.7759 -0.3213 -0.3213 1.2131 1.2131 4.4604 4.4604 5.5925 5.5925 6.2156 6.2156 6.3352 6.3352 6.4740 6.4740 7.1971 7.1971 7.8824 7.8824 7.9361 7.9361 8.8752 8.8752 9.1677 9.1677 9.4305 9.4305 11.7380 11.7380 12.1164 12.1164 12.3742 12.3742 13.3051 13.3051 k = 0.2869 0.2869-0.0000 ( 4971 PWs) bands (ev): -51.4705 -51.4705 -51.4705 -51.4705 -25.8052 -25.8052 -25.8041 -25.8041 -18.1213 -18.1213 -18.1164 -18.1164 -18.0964 -18.0964 -18.0961 -18.0961 -0.8317 -0.8317 -0.3525 -0.3525 1.1256 1.1256 4.5247 4.5247 5.6404 5.6404 6.2665 6.2665 6.3124 6.3124 6.5223 6.5223 7.2399 7.2399 7.8706 7.8706 7.9473 7.9473 9.0397 9.0397 9.1999 9.1999 9.4826 9.4826 11.6834 11.6834 12.0888 12.0888 12.2888 12.2888 13.3700 13.3700 k = 0.2787 0.2787-0.0000 ( 4971 PWs) bands (ev): -51.4707 -51.4707 -51.4706 -51.4706 -25.8045 -25.8045 -25.8034 -25.8034 -18.1211 -18.1211 -18.1159 -18.1159 -18.0934 -18.0934 -18.0931 -18.0931 -0.8880 -0.8880 -0.3849 -0.3849 1.0408 1.0408 4.5914 4.5914 5.6901 5.6901 6.2863 6.2863 6.3183 6.3183 6.5767 6.5767 7.2834 7.2834 7.8363 7.8363 7.9831 7.9831 9.1641 9.1641 9.2731 9.2731 9.5344 9.5344 11.6314 11.6314 12.0633 12.0633 12.2050 12.2050 13.4114 13.4114 k = 0.2705 0.2705-0.0000 ( 4967 PWs) bands (ev): -51.4708 -51.4708 -51.4707 -51.4707 -25.8038 -25.8038 -25.8027 -25.8027 -18.1208 -18.1208 -18.1154 -18.1154 -18.0903 -18.0903 -18.0900 -18.0900 -0.9447 -0.9447 -0.4182 -0.4182 0.9587 0.9587 4.6603 4.6603 5.7408 5.7408 6.2632 6.2632 6.3670 6.3670 6.6345 6.6345 7.3271 7.3271 7.8021 7.8021 8.0233 8.0233 9.2130 9.2130 9.4213 9.4213 9.5853 9.5853 11.5831 11.5831 12.0354 12.0354 12.1274 12.1274 13.4451 13.4451 k = 0.2623 0.2623-0.0000 ( 4967 PWs) bands (ev): -51.4709 -51.4709 -51.4709 -51.4709 -25.8031 -25.8031 -25.8019 -25.8019 -18.1206 -18.1206 -18.1149 -18.1149 -18.0872 -18.0872 -18.0869 -18.0869 -1.0017 -1.0017 -0.4525 -0.4525 0.8793 0.8793 4.7315 4.7315 5.7909 5.7909 6.2438 6.2438 6.4130 6.4130 6.6950 6.6950 7.3699 7.3699 7.7735 7.7735 8.0651 8.0651 9.2432 9.2432 9.5867 9.5867 9.6346 9.6346 11.5394 11.5394 11.9872 11.9872 12.0742 12.0742 13.4765 13.4765 k = 0.2541 0.2541-0.0000 ( 4967 PWs) bands (ev): -51.4711 -51.4711 -51.4710 -51.4710 -25.8024 -25.8024 -25.8012 -25.8012 -18.1203 -18.1203 -18.1144 -18.1144 -18.0841 -18.0841 -18.0837 -18.0837 -1.0588 -1.0588 -0.4875 -0.4875 0.8026 0.8026 4.8050 4.8050 5.8380 5.8380 6.2312 6.2312 6.4547 6.4547 6.7576 6.7576 7.4107 7.4107 7.7546 7.7546 8.1077 8.1077 9.2705 9.2705 9.6802 9.6802 9.7542 9.7542 11.5012 11.5012 11.9114 11.9114 12.0528 12.0528 13.5069 13.5069 k = 0.2459 0.2459-0.0000 ( 4971 PWs) bands (ev): -51.4712 -51.4712 -51.4712 -51.4712 -25.8017 -25.8017 -25.8005 -25.8005 -18.1201 -18.1201 -18.1139 -18.1139 -18.0809 -18.0809 -18.0805 -18.0805 -1.1158 -1.1158 -0.5232 -0.5232 0.7286 0.7286 4.8807 4.8807 5.8787 5.8787 6.2292 6.2292 6.4902 6.4902 6.8219 6.8219 7.4480 7.4480 7.7490 7.7490 8.1505 8.1505 9.2971 9.2971 9.7233 9.7233 9.9181 9.9181 11.4694 11.4694 11.8255 11.8255 12.0465 12.0465 13.5363 13.5363 k = 0.2377 0.2377-0.0000 ( 4973 PWs) bands (ev): -51.4713 -51.4713 -51.4713 -51.4713 -25.8010 -25.8010 -25.7997 -25.7997 -18.1198 -18.1198 -18.1134 -18.1134 -18.0778 -18.0778 -18.0773 -18.0773 -1.1725 -1.1725 -0.5594 -0.5594 0.6574 0.6574 4.9586 4.9586 5.9085 5.9085 6.2419 6.2419 6.5181 6.5181 6.8875 6.8875 7.4812 7.4812 7.7598 7.7598 8.1933 8.1933 9.3236 9.3236 9.7620 9.7620 10.0783 10.0783 11.4445 11.4445 11.7365 11.7365 12.0486 12.0486 13.5641 13.5641 k = 0.2295 0.2295-0.0000 ( 4981 PWs) bands (ev): -51.4715 -51.4715 -51.4715 -51.4715 -25.8003 -25.8003 -25.7991 -25.7991 -18.1196 -18.1196 -18.1129 -18.1129 -18.0746 -18.0746 -18.0742 -18.0742 -1.2288 -1.2288 -0.5961 -0.5961 0.5888 0.5888 5.0386 5.0386 5.9252 5.9252 6.2713 6.2713 6.5372 6.5372 6.9540 6.9540 7.5120 7.5120 7.7870 7.7870 8.2357 8.2357 9.3503 9.3503 9.7955 9.7955 10.2332 10.2332 11.4263 11.4263 11.6473 11.6473 12.0580 12.0580 13.5896 13.5896 k = 0.2213 0.2213-0.0000 ( 4977 PWs) bands (ev): -51.4716 -51.4716 -51.4716 -51.4716 -25.7996 -25.7996 -25.7983 -25.7983 -18.1192 -18.1192 -18.1124 -18.1124 -18.0714 -18.0714 -18.0710 -18.0710 -1.2846 -1.2846 -0.6330 -0.6330 0.5229 0.5229 5.1208 5.1208 5.9297 5.9297 6.3152 6.3152 6.5478 6.5478 7.0213 7.0213 7.5437 7.5437 7.8286 7.8286 8.2776 8.2776 9.3769 9.3769 9.8233 9.8233 10.3817 10.3817 11.4113 11.4113 11.5622 11.5622 12.0746 12.0746 13.5700 13.5700 k = 0.2131 0.2131-0.0000 ( 4969 PWs) bands (ev): -51.4718 -51.4718 -51.4717 -51.4717 -25.7988 -25.7988 -25.7976 -25.7976 -18.1189 -18.1189 -18.1119 -18.1119 -18.0682 -18.0682 -18.0678 -18.0678 -1.3396 -1.3396 -0.6700 -0.6700 0.4597 0.4597 5.2051 5.2051 5.9258 5.9258 6.3669 6.3669 6.5527 6.5527 7.0891 7.0891 7.5797 7.5797 7.8812 7.8812 8.3187 8.3187 9.4036 9.4036 9.8450 9.8450 10.5225 10.5225 11.3837 11.3837 11.4980 11.4980 12.0984 12.0984 13.5274 13.5274 k = 0.2049 0.2049-0.0000 ( 4965 PWs) bands (ev): -51.4719 -51.4719 -51.4719 -51.4719 -25.7981 -25.7981 -25.7968 -25.7968 -18.1186 -18.1186 -18.1114 -18.1114 -18.0651 -18.0651 -18.0646 -18.0646 -1.3938 -1.3938 -0.7070 -0.7070 0.3991 0.3991 5.2913 5.2913 5.9169 5.9169 6.4136 6.4136 6.5618 6.5618 7.1575 7.1575 7.6216 7.6216 7.9423 7.9423 8.3587 8.3587 9.4302 9.4302 9.8605 9.8605 10.6544 10.6544 11.3181 11.3181 11.4802 11.4802 12.1297 12.1297 13.4850 13.4850 k = 0.1967 0.1967-0.0000 ( 4969 PWs) bands (ev): -51.4720 -51.4720 -51.4720 -51.4720 -25.7975 -25.7975 -25.7961 -25.7961 -18.1183 -18.1183 -18.1109 -18.1109 -18.0620 -18.0620 -18.0614 -18.0614 -1.4470 -1.4470 -0.7438 -0.7438 0.3411 0.3411 5.3796 5.3796 5.9055 5.9055 6.4340 6.4340 6.5953 6.5953 7.2264 7.2264 7.6696 7.6696 8.0099 8.0099 8.3977 8.3977 9.4565 9.4565 9.8699 9.8699 10.7758 10.7758 11.2308 11.2308 11.4933 11.4933 12.1683 12.1683 13.4433 13.4433 k = 0.1885 0.1885-0.0000 ( 4965 PWs) bands (ev): -51.4722 -51.4722 -51.4721 -51.4721 -25.7968 -25.7968 -25.7954 -25.7954 -18.1180 -18.1180 -18.1104 -18.1104 -18.0589 -18.0589 -18.0583 -18.0583 -1.4991 -1.4991 -0.7804 -0.7804 0.2856 0.2856 5.4698 5.4698 5.8932 5.8932 6.4235 6.4235 6.6576 6.6576 7.2958 7.2958 7.7229 7.7229 8.0827 8.0827 8.4354 8.4354 9.4825 9.4825 9.8738 9.8738 10.8825 10.8825 11.1412 11.1412 11.5209 11.5209 12.2139 12.2139 13.4024 13.4024 k = 0.1803 0.1803-0.0000 ( 4961 PWs) bands (ev): -51.4723 -51.4723 -51.4723 -51.4723 -25.7961 -25.7961 -25.7947 -25.7947 -18.1177 -18.1177 -18.1098 -18.1098 -18.0559 -18.0559 -18.0552 -18.0552 -1.5499 -1.5499 -0.8165 -0.8165 0.2328 0.2328 5.5618 5.5618 5.8807 5.8807 6.3963 6.3963 6.7351 6.7351 7.3657 7.3657 7.7803 7.7803 8.1599 8.1599 8.4718 8.4718 9.5078 9.5078 9.8728 9.8728 10.9463 10.9463 11.0819 11.0819 11.5576 11.5576 12.2659 12.2659 13.3625 13.3625 k = 0.1721 0.1721-0.0000 ( 4969 PWs) bands (ev): -51.4724 -51.4724 -51.4724 -51.4724 -25.7955 -25.7955 -25.7941 -25.7941 -18.1174 -18.1174 -18.1094 -18.1094 -18.0530 -18.0530 -18.0522 -18.0522 -1.5992 -1.5992 -0.8520 -0.8520 0.1824 0.1824 5.6555 5.6555 5.8688 5.8688 6.3611 6.3611 6.8199 6.8199 7.4358 7.4358 7.8405 7.8405 8.2404 8.2404 8.5070 8.5070 9.5324 9.5324 9.8678 9.8678 10.8943 10.8943 11.1276 11.1276 11.6007 11.6007 12.3232 12.3232 13.3239 13.3239 k = 0.1639 0.1639-0.0000 ( 4971 PWs) bands (ev): -51.4725 -51.4725 -51.4725 -51.4725 -25.7948 -25.7948 -25.7934 -25.7934 -18.1171 -18.1171 -18.1089 -18.1089 -18.0501 -18.0501 -18.0493 -18.0493 -1.6471 -1.6471 -0.8869 -0.8869 0.1346 0.1346 5.7505 5.7505 5.8581 5.8581 6.3217 6.3217 6.9088 6.9088 7.5060 7.5060 7.9026 7.9026 8.3234 8.3234 8.5410 8.5410 9.5560 9.5560 9.8596 9.8596 10.7984 10.7984 11.2082 11.2082 11.6483 11.6483 12.3842 12.3842 13.2869 13.2869 k = 0.1557 0.1557-0.0000 ( 4975 PWs) bands (ev): -51.4727 -51.4727 -51.4726 -51.4726 -25.7943 -25.7943 -25.7928 -25.7928 -18.1168 -18.1168 -18.1085 -18.1085 -18.0473 -18.0473 -18.0464 -18.0464 -1.6933 -1.6933 -0.9209 -0.9209 0.0892 0.0892 5.8347 5.8347 5.8607 5.8607 6.2801 6.2801 7.0004 7.0004 7.5761 7.5761 7.9657 7.9657 8.4076 8.4076 8.5743 8.5743 9.5784 9.5784 9.8491 9.8491 10.6948 10.6948 11.2895 11.2895 11.6983 11.6983 12.4472 12.4472 13.2517 13.2517 k = 0.1475 0.1475-0.0000 ( 4971 PWs) bands (ev): -51.4728 -51.4728 -51.4727 -51.4727 -25.7936 -25.7936 -25.7922 -25.7922 -18.1165 -18.1165 -18.1081 -18.1081 -18.0445 -18.0445 -18.0437 -18.0437 -1.7378 -1.7378 -0.9539 -0.9539 0.0463 0.0463 5.8348 5.8348 5.9495 5.9495 6.2377 6.2377 7.0935 7.0935 7.6458 7.6458 8.0293 8.0293 8.4912 8.4912 8.6080 8.6080 9.5995 9.5995 9.8372 9.8372 10.5885 10.5885 11.3682 11.3682 11.7489 11.7489 12.5106 12.5106 13.2185 13.2185 k = 0.1393 0.1393-0.0000 ( 4975 PWs) bands (ev): -51.4729 -51.4729 -51.4728 -51.4728 -25.7930 -25.7930 -25.7917 -25.7917 -18.1162 -18.1162 -18.1077 -18.1077 -18.0418 -18.0418 -18.0410 -18.0410 -1.7805 -1.7805 -0.9859 -0.9859 0.0059 0.0059 5.8269 5.8269 6.0479 6.0479 6.1965 6.1965 7.1874 7.1874 7.7146 7.7146 8.0930 8.0930 8.5696 8.5696 8.6456 8.6456 9.6189 9.6189 9.8245 9.8245 10.4810 10.4810 11.4448 11.4448 11.7986 11.7986 12.5725 12.5725 13.1873 13.1873 k = 0.1311 0.1311-0.0000 ( 4963 PWs) bands (ev): -51.4730 -51.4730 -51.4729 -51.4729 -25.7924 -25.7924 -25.7911 -25.7911 -18.1159 -18.1159 -18.1073 -18.1073 -18.0392 -18.0392 -18.0384 -18.0384 -1.8212 -1.8212 -1.0166 -1.0166 -0.0322 -0.0322 5.8195 5.8195 6.1291 6.1291 6.1750 6.1750 7.2813 7.2813 7.7823 7.7823 8.1566 8.1566 8.6311 8.6311 8.6979 8.6979 9.6364 9.6364 9.8117 9.8117 10.3731 10.3731 11.5203 11.5203 11.8456 11.8456 12.6316 12.6316 13.1564 13.1564 k = 0.1230 0.1230-0.0000 ( 4959 PWs) bands (ev): -51.4731 -51.4731 -51.4730 -51.4730 -25.7918 -25.7918 -25.7905 -25.7905 -18.1156 -18.1156 -18.1069 -18.1069 -18.0368 -18.0368 -18.0359 -18.0359 -1.8598 -1.8598 -1.0461 -1.0461 -0.0678 -0.0678 5.8130 5.8130 6.1056 6.1056 6.2608 6.2608 7.3743 7.3743 7.8483 7.8483 8.2197 8.2197 8.6715 8.6715 8.7683 8.7683 9.6519 9.6519 9.7994 9.7994 10.2658 10.2658 11.5957 11.5957 11.8884 11.8884 12.6865 12.6865 13.0799 13.0799 k = 0.1148 0.1148-0.0000 ( 4957 PWs) bands (ev): -51.4732 -51.4732 -51.4731 -51.4731 -25.7913 -25.7913 -25.7900 -25.7900 -18.1153 -18.1153 -18.1065 -18.1065 -18.0344 -18.0344 -18.0335 -18.0335 -1.8964 -1.8964 -1.0742 -1.0742 -0.1011 -0.1011 5.8072 5.8072 6.0675 6.0675 6.3641 6.3641 7.4656 7.4656 7.9122 7.9122 8.2824 8.2824 8.7034 8.7034 8.8431 8.8431 9.6650 9.6650 9.7881 9.7881 10.1599 10.1599 11.6718 11.6718 11.9255 11.9255 12.7363 12.7363 12.9572 12.9572 k = 0.1066 0.1066-0.0000 ( 4961 PWs) bands (ev): -51.4733 -51.4733 -51.4732 -51.4732 -25.7908 -25.7908 -25.7895 -25.7895 -18.1151 -18.1151 -18.1062 -18.1062 -18.0323 -18.0323 -18.0313 -18.0313 -1.9308 -1.9308 -1.1007 -1.1007 -0.1320 -0.1320 5.8023 5.8023 6.0300 6.0300 6.4697 6.4697 7.5542 7.5542 7.9735 7.9735 8.3443 8.3443 8.7328 8.7328 8.9152 8.9152 9.6752 9.6752 9.7783 9.7783 10.0568 10.0568 11.7493 11.7493 11.9556 11.9556 12.7802 12.7802 12.8359 12.8359 k = 0.0984 0.0984-0.0000 ( 4969 PWs) bands (ev): -51.4734 -51.4734 -51.4733 -51.4733 -25.7904 -25.7904 -25.7891 -25.7891 -18.1149 -18.1149 -18.1059 -18.1059 -18.0302 -18.0302 -18.0292 -18.0292 -1.9629 -1.9629 -1.1257 -1.1257 -0.1605 -0.1605 5.7982 5.7982 5.9944 5.9944 6.5765 6.5765 7.6388 7.6388 8.0318 8.0318 8.4054 8.4054 8.7612 8.7612 8.9816 8.9816 9.6812 9.6812 9.7709 9.7709 9.9586 9.9586 11.8281 11.8281 11.9777 11.9777 12.7185 12.7185 12.8179 12.8179 k = 0.0902 0.0902-0.0000 ( 4973 PWs) bands (ev): -51.4735 -51.4735 -51.4734 -51.4734 -25.7900 -25.7900 -25.7888 -25.7888 -18.1146 -18.1146 -18.1056 -18.1056 -18.0283 -18.0283 -18.0273 -18.0273 -1.9926 -1.9926 -1.1490 -1.1490 -0.1867 -0.1867 5.7947 5.7947 5.9610 5.9610 6.6843 6.6843 7.7183 7.7183 8.0863 8.0863 8.4654 8.4654 8.7889 8.7889 9.0404 9.0404 9.6798 9.6798 9.7671 9.7671 9.8693 9.8693 11.9064 11.9064 11.9931 11.9931 12.6062 12.6062 12.8488 12.8488 k = 0.0820 0.0820-0.0000 ( 4967 PWs) bands (ev): -51.4735 -51.4735 -51.4735 -51.4735 -25.7896 -25.7896 -25.7884 -25.7884 -18.1144 -18.1144 -18.1053 -18.1053 -18.0265 -18.0265 -18.0255 -18.0255 -2.0200 -2.0200 -1.1705 -1.1705 -0.2106 -0.2106 5.7918 5.7918 5.9301 5.9301 6.7927 6.7927 7.7914 7.7914 8.1364 8.1364 8.5241 8.5241 8.8158 8.8158 9.0901 9.0901 9.6634 9.6634 9.7673 9.7673 9.7983 9.7983 11.9646 11.9646 12.0205 12.0205 12.5000 12.5000 12.8730 12.8730 k = 0.0738 0.0738-0.0000 ( 4973 PWs) bands (ev): -51.4736 -51.4736 -51.4735 -51.4735 -25.7892 -25.7892 -25.7881 -25.7881 -18.1142 -18.1142 -18.1051 -18.1051 -18.0249 -18.0249 -18.0239 -18.0239 -2.0450 -2.0450 -1.1902 -1.1902 -0.2322 -0.2322 5.7893 5.7893 5.9019 5.9019 6.9014 6.9014 7.8570 7.8570 8.1810 8.1810 8.5814 8.5814 8.8411 8.8411 9.1292 9.1292 9.6239 9.6239 9.7486 9.7486 9.7795 9.7795 11.9693 11.9693 12.0923 12.0923 12.4021 12.4021 12.8909 12.8909 k = 0.0656 0.0656-0.0000 ( 4981 PWs) bands (ev): -51.4737 -51.4737 -51.4736 -51.4736 -25.7889 -25.7889 -25.7878 -25.7878 -18.1141 -18.1141 -18.1049 -18.1049 -18.0234 -18.0234 -18.0224 -18.0224 -2.0674 -2.0674 -1.2080 -1.2080 -0.2515 -0.2515 5.7872 5.7872 5.8765 5.8765 7.0100 7.0100 7.9141 7.9141 8.2182 8.2182 8.6367 8.6367 8.8642 8.8642 9.1570 9.1570 9.5718 9.5718 9.7253 9.7253 9.7910 9.7910 11.9539 11.9539 12.1684 12.1684 12.3204 12.3204 12.9032 12.9032 k = 0.0574 0.0574-0.0000 ( 4987 PWs) bands (ev): -51.4737 -51.4737 -51.4737 -51.4737 -25.7887 -25.7887 -25.7875 -25.7875 -18.1139 -18.1139 -18.1047 -18.1047 -18.0221 -18.0221 -18.0211 -18.0211 -2.0873 -2.0873 -1.2238 -1.2238 -0.2685 -0.2685 5.7852 5.7852 5.8541 5.8541 7.1181 7.1181 7.9623 7.9623 8.2455 8.2455 8.6897 8.6897 8.8842 8.8842 9.1730 9.1730 9.5252 9.5252 9.7079 9.7079 9.8068 9.8068 11.9298 11.9298 12.1813 12.1813 12.3137 12.3137 12.9110 12.9110 k = 0.0492 0.0492-0.0000 ( 4981 PWs) bands (ev): -51.4738 -51.4738 -51.4737 -51.4737 -25.7884 -25.7884 -25.7873 -25.7873 -18.1137 -18.1137 -18.1046 -18.1046 -18.0209 -18.0209 -18.0199 -18.0199 -2.1047 -2.1047 -1.2377 -1.2377 -0.2832 -0.2832 5.7832 5.7832 5.8350 5.8350 7.2248 7.2248 8.0017 8.0017 8.2598 8.2598 8.7399 8.7399 8.9011 8.9011 9.1778 9.1778 9.4930 9.4930 9.6913 9.6913 9.8247 9.8247 11.9005 11.9005 12.1203 12.1203 12.3913 12.3913 12.9154 12.9154 k = 0.0410 0.0410-0.0000 ( 4981 PWs) bands (ev): -51.4738 -51.4738 -51.4737 -51.4737 -25.7882 -25.7882 -25.7870 -25.7870 -18.1136 -18.1136 -18.1044 -18.1044 -18.0200 -18.0200 -18.0189 -18.0189 -2.1194 -2.1194 -1.2494 -1.2494 -0.2957 -0.2957 5.7808 5.7808 5.8196 5.8196 7.3292 7.3292 8.0327 8.0327 8.2586 8.2586 8.7866 8.7866 8.9157 8.9157 9.1734 9.1734 9.4773 9.4773 9.6735 9.6735 9.8428 9.8428 11.8692 11.8692 12.0561 12.0561 12.4818 12.4818 12.9174 12.9174 k = 0.0328 0.0328-0.0000 ( 4985 PWs) bands (ev): -51.4738 -51.4738 -51.4738 -51.4738 -25.7880 -25.7880 -25.7869 -25.7869 -18.1135 -18.1135 -18.1043 -18.1043 -18.0191 -18.0191 -18.0181 -18.0181 -2.1315 -2.1315 -1.2591 -1.2591 -0.3058 -0.3058 5.7776 5.7776 5.8082 5.8082 7.4297 7.4297 8.0557 8.0557 8.2414 8.2414 8.8292 8.8292 8.9292 8.9292 9.1628 9.1628 9.4762 9.4762 9.6541 9.6541 9.8598 9.8598 11.8387 11.8387 12.0001 12.0001 12.5727 12.5727 12.9173 12.9173 k = 0.0246 0.0246-0.0000 ( 4991 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7878 -25.7878 -25.7868 -25.7868 -18.1135 -18.1135 -18.1042 -18.1042 -18.0185 -18.0185 -18.0175 -18.0175 -2.1409 -2.1409 -1.2667 -1.2667 -0.3138 -0.3138 5.7736 5.7736 5.8010 5.8010 7.5234 7.5234 8.0707 8.0707 8.2114 8.2114 8.8665 8.8665 8.9421 8.9421 9.1490 9.1490 9.4857 9.4857 9.6332 9.6332 9.8743 9.8743 11.8118 11.8118 11.9551 11.9551 12.6590 12.6590 12.9153 12.9153 k = 0.0164 0.0164-0.0000 ( 4997 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7878 -25.7878 -25.7868 -25.7868 -18.1134 -18.1134 -18.1042 -18.1042 -18.0181 -18.0181 -18.0171 -18.0171 -2.1476 -2.1476 -1.2721 -1.2721 -0.3194 -0.3194 5.7695 5.7695 5.7970 5.7970 7.6052 7.6052 8.0762 8.0762 8.1773 8.1773 8.8968 8.8968 8.9533 8.9533 9.1347 9.1347 9.5016 9.5016 9.6115 9.6115 9.8854 9.8854 11.7907 11.7907 11.9221 11.9221 12.7356 12.7356 12.9108 12.9108 k = 0.0082 0.0082-0.0000 ( 4997 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7877 -25.7877 -25.7867 -25.7867 -18.1134 -18.1134 -18.1041 -18.1041 -18.0179 -18.0179 -18.0168 -18.0168 -2.1517 -2.1517 -1.2754 -1.2754 -0.3228 -0.3228 5.7665 5.7665 5.7951 5.7951 7.6653 7.6653 8.0711 8.0711 8.1530 8.1530 8.9175 8.9175 8.9612 8.9612 9.1234 9.1234 9.5192 9.5192 9.5912 9.5912 9.8923 9.8923 11.7773 11.7773 11.9021 11.9021 12.7939 12.7939 12.9037 12.9037 k = 0.0000 0.0000 0.0000 ( 4993 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7877 -25.7877 -25.7866 -25.7866 -18.1134 -18.1134 -18.1041 -18.1041 -18.0178 -18.0178 -18.0166 -18.0166 -2.1530 -2.1530 -1.2765 -1.2765 -0.3239 -0.3239 5.7655 5.7655 5.7945 5.7945 7.6884 7.6884 8.0655 8.0655 8.1455 8.1455 8.9250 8.9250 8.9641 8.9641 9.1189 9.1189 9.5289 9.5289 9.5809 9.5809 9.8946 9.8946 11.7726 11.7726 11.8954 11.8954 12.8182 12.8182 12.8985 12.8985 k = 0.0000 0.0000 0.0000 ( 4993 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7877 -25.7877 -25.7866 -25.7866 -18.1134 -18.1134 -18.1041 -18.1041 -18.0178 -18.0178 -18.0166 -18.0166 -2.1530 -2.1530 -1.2765 -1.2765 -0.3239 -0.3239 5.7655 5.7655 5.7945 5.7945 7.6884 7.6884 8.0655 8.0655 8.1455 8.1455 8.9250 8.9250 8.9641 8.9641 9.1189 9.1189 9.5289 9.5289 9.5809 9.5809 9.8946 9.8946 11.7726 11.7726 11.8954 11.8954 12.8182 12.8182 12.8985 12.8985 k = 0.0000 0.0000 0.0111 ( 4993 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7877 -25.7877 -25.7866 -25.7866 -18.1134 -18.1134 -18.1041 -18.1041 -18.0178 -18.0178 -18.0166 -18.0166 -2.1521 -2.1521 -1.2794 -1.2794 -0.3214 -0.3214 5.6706 5.6706 5.8932 5.8932 7.6885 7.6885 8.0659 8.0659 8.1457 8.1457 8.9248 8.9248 8.9584 8.9584 9.1221 9.1221 9.5262 9.5262 9.5763 9.5763 9.8995 9.8995 11.7678 11.7678 11.8962 11.8962 12.8110 12.8110 12.9010 12.9010 k = 0.0000 0.0000 0.0222 ( 4993 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7877 -25.7877 -25.7866 -25.7866 -18.1134 -18.1134 -18.1041 -18.1041 -18.0178 -18.0178 -18.0166 -18.0166 -2.1494 -2.1494 -1.2878 -1.2878 -0.3138 -0.3138 5.5668 5.5668 6.0084 6.0084 7.6886 7.6886 8.0672 8.0672 8.1466 8.1466 8.9242 8.9242 8.9429 8.9429 9.1296 9.1296 9.5185 9.5185 9.5635 9.5635 9.9134 9.9134 11.7540 11.7540 11.8984 11.8984 12.7930 12.7930 12.9040 12.9040 k = 0.0000 0.0000 0.0333 ( 4981 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7877 -25.7877 -25.7865 -25.7865 -18.1134 -18.1134 -18.1041 -18.1041 -18.0177 -18.0177 -18.0166 -18.0166 -2.1449 -2.1449 -1.3015 -1.3015 -0.3018 -0.3018 5.4672 5.4672 6.1272 6.1272 7.6889 7.6889 8.0694 8.0694 8.1479 8.1479 8.9206 8.9206 8.9232 8.9232 9.1375 9.1375 9.5068 9.5068 9.5445 9.5445 9.9340 9.9340 11.7329 11.7329 11.9021 11.9021 12.7694 12.7694 12.9013 12.9013 k = 0.0000 0.0000 0.0444 ( 4969 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7876 -25.7876 -25.7865 -25.7865 -18.1132 -18.1132 -18.1040 -18.1040 -18.0177 -18.0177 -18.0166 -18.0166 -2.1387 -2.1387 -1.3198 -1.3198 -0.2859 -0.2859 5.3722 5.3722 6.2490 6.2490 7.6893 7.6893 8.0724 8.0724 8.1498 8.1498 8.8940 8.8940 8.9219 8.9219 9.1414 9.1414 9.4930 9.4930 9.5215 9.5215 9.9593 9.9593 11.7068 11.7068 11.9071 11.9071 12.7422 12.7422 12.8897 12.8897 k = 0.0000 0.0000 0.0555 ( 4973 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7876 -25.7876 -25.7865 -25.7865 -18.1133 -18.1133 -18.1041 -18.1041 -18.0176 -18.0176 -18.0166 -18.0166 -2.1309 -2.1309 -1.3419 -1.3419 -0.2669 -0.2669 5.2823 5.2823 6.3735 6.3735 7.6897 7.6897 8.0761 8.0761 8.1521 8.1521 8.8643 8.8643 8.9204 8.9204 9.1373 9.1373 9.4796 9.4796 9.4964 9.4964 9.9872 9.9872 11.6785 11.6785 11.9133 11.9133 12.7114 12.7114 12.8699 12.8699 k = 0.0000 0.0000 0.0666 ( 4981 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7876 -25.7876 -25.7866 -25.7866 -18.1132 -18.1132 -18.1042 -18.1042 -18.0177 -18.0177 -18.0166 -18.0166 -2.1214 -2.1214 -1.3669 -1.3669 -0.2457 -0.2457 5.1978 5.1978 6.5003 6.5003 7.6902 7.6902 8.0805 8.0805 8.1547 8.1547 8.8321 8.8321 8.9185 8.9185 9.1219 9.1219 9.4696 9.4696 9.4704 9.4704 10.0163 10.0163 11.6503 11.6503 11.9204 11.9204 12.6761 12.6761 12.8446 12.8446 k = 0.0000 0.0000 0.0777 ( 4981 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7876 -25.7876 -25.7866 -25.7866 -18.1132 -18.1132 -18.1042 -18.1042 -18.0177 -18.0177 -18.0166 -18.0166 -2.1106 -2.1106 -1.3942 -1.3942 -0.2232 -0.2232 5.1190 5.1190 6.6292 6.6292 7.6908 7.6908 8.0854 8.0854 8.1577 8.1577 8.7971 8.7971 8.9165 8.9165 9.0937 9.0937 9.4447 9.4447 9.4649 9.4649 10.0456 10.0456 11.6243 11.6243 11.9283 11.9283 12.6354 12.6354 12.8175 12.8175 k = 0.0000 0.0000 0.0887 ( 4973 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7876 -25.7876 -25.7865 -25.7865 -18.1132 -18.1132 -18.1042 -18.1042 -18.0176 -18.0176 -18.0166 -18.0166 -2.0985 -2.0985 -1.4229 -1.4229 -0.2003 -0.2003 5.0464 5.0464 6.7597 6.7597 7.6914 7.6914 8.0907 8.0907 8.1608 8.1608 8.7585 8.7585 8.9144 8.9144 9.0538 9.0538 9.4197 9.4197 9.4658 9.4658 10.0743 10.0743 11.6019 11.6019 11.9367 11.9367 12.5891 12.5891 12.7916 12.7916 k = 0.0000 0.0000 0.0998 ( 4981 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7876 -25.7876 -25.7866 -25.7866 -18.1131 -18.1131 -18.1043 -18.1043 -18.0176 -18.0176 -18.0167 -18.0167 -2.0853 -2.0853 -1.4521 -1.4521 -0.1775 -0.1775 4.9803 4.9803 6.8916 6.8916 7.6920 7.6920 8.0963 8.0963 8.1640 8.1640 8.7144 8.7144 8.9123 8.9123 9.0059 9.0059 9.3962 9.3962 9.4712 9.4712 10.1017 10.1017 11.5841 11.5841 11.9452 11.9452 12.5388 12.5388 12.7685 12.7685 k = 0.0000 0.0000 0.1109 ( 4988 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7877 -25.7877 -25.7866 -25.7866 -18.1131 -18.1131 -18.1043 -18.1043 -18.0178 -18.0178 -18.0167 -18.0167 -2.0714 -2.0714 -1.4812 -1.4812 -0.1558 -0.1558 4.9209 4.9209 7.0244 7.0244 7.6926 7.6926 8.1020 8.1020 8.1673 8.1673 8.6619 8.6619 8.9102 8.9102 8.9553 8.9553 9.3745 9.3745 9.4793 9.4793 10.1272 10.1272 11.5712 11.5712 11.9537 11.9537 12.4865 12.4865 12.7486 12.7486 k = 0.0000 0.0000 0.1220 ( 4988 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7877 -25.7877 -25.7866 -25.7866 -18.1130 -18.1130 -18.1044 -18.1044 -18.0178 -18.0178 -18.0167 -18.0167 -2.0572 -2.0572 -1.5093 -1.5093 -0.1357 -0.1357 4.8687 4.8687 7.1577 7.1577 7.6932 7.6932 8.1076 8.1076 8.1704 8.1704 8.5980 8.5980 8.9075 8.9075 8.9082 8.9082 9.3550 9.3550 9.4887 9.4887 10.1503 10.1503 11.5631 11.5631 11.9618 11.9618 12.4348 12.4348 12.7317 12.7317 k = 0.0000 0.0000 0.1331 ( 4980 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7877 -25.7877 -25.7865 -25.7865 -18.1130 -18.1130 -18.1043 -18.1043 -18.0177 -18.0177 -18.0166 -18.0166 -2.0431 -2.0431 -1.5356 -1.5356 -0.1177 -0.1177 4.8240 4.8240 7.2910 7.2910 7.6937 7.6937 8.1129 8.1129 8.1732 8.1732 8.5210 8.5210 8.8667 8.8667 8.9064 8.9064 9.3381 9.3381 9.4981 9.4981 10.1707 10.1707 11.5592 11.5592 11.9692 11.9692 12.3859 12.3859 12.7176 12.7176 k = 0.0000 0.0000 0.1442 ( 4984 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7877 -25.7877 -25.7865 -25.7865 -18.1130 -18.1130 -18.1044 -18.1044 -18.0177 -18.0177 -18.0166 -18.0166 -2.0298 -2.0298 -1.5593 -1.5593 -0.1023 -0.1023 4.7869 4.7869 7.4233 7.4233 7.6942 7.6942 8.1176 8.1176 8.1757 8.1757 8.4315 8.4315 8.8346 8.8346 8.9048 8.9048 9.3238 9.3238 9.5067 9.5067 10.1878 10.1878 11.5587 11.5587 11.9757 11.9757 12.3421 12.3421 12.7061 12.7061 k = 0.0000 0.0000 0.1553 ( 4960 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7877 -25.7877 -25.7863 -25.7863 -18.1129 -18.1129 -18.1042 -18.1042 -18.0177 -18.0177 -18.0166 -18.0166 -2.0180 -2.0180 -1.5793 -1.5793 -0.0899 -0.0899 4.7579 4.7579 7.5535 7.5535 7.6946 7.6946 8.1215 8.1215 8.1778 8.1778 8.3321 8.3321 8.8108 8.8108 8.9036 8.9036 9.3126 9.3126 9.5139 9.5139 10.2015 10.2015 11.5602 11.5602 11.9810 11.9810 12.3053 12.3053 12.6973 12.6973 k = 0.0000 0.0000 0.1664 ( 4968 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7878 -25.7878 -25.7863 -25.7863 -18.1130 -18.1130 -18.1042 -18.1042 -18.0177 -18.0177 -18.0166 -18.0166 -2.0087 -2.0087 -1.5947 -1.5947 -0.0809 -0.0809 4.7369 4.7369 7.6791 7.6791 7.6949 7.6949 8.1245 8.1245 8.1793 8.1793 8.2272 8.2272 8.7945 8.7945 8.9026 8.9026 9.3044 9.3044 9.5194 9.5194 10.2115 10.2115 11.5627 11.5627 11.9850 11.9850 12.2775 12.2775 12.6909 12.6909 k = 0.0000 0.0000 0.1775 ( 4952 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7877 -25.7877 -25.7862 -25.7862 -18.1130 -18.1130 -18.1041 -18.1041 -18.0177 -18.0177 -18.0165 -18.0165 -2.0026 -2.0026 -1.6044 -1.6044 -0.0753 -0.0753 4.7243 4.7243 7.6950 7.6950 7.7917 7.7917 8.1235 8.1235 8.1292 8.1292 8.1803 8.1803 8.7850 8.7850 8.9020 8.9020 9.2994 9.2994 9.5227 9.5227 10.2176 10.2176 11.5647 11.5647 11.9874 11.9874 12.2600 12.2600 12.6871 12.6871 k = 0.0000 0.0000 0.1886 ( 4952 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7878 -25.7878 -25.7862 -25.7862 -18.1130 -18.1130 -18.1041 -18.1041 -18.0177 -18.0177 -18.0165 -18.0165 -2.0005 -2.0005 -1.6077 -1.6077 -0.0735 -0.0735 4.7201 4.7201 7.6951 7.6951 7.8510 7.8510 8.0708 8.0708 8.1272 8.1272 8.1806 8.1806 8.7819 8.7819 8.9019 8.9019 9.2978 9.2978 9.5239 9.5239 10.2196 10.2196 11.5655 11.5655 11.9882 11.9882 12.2541 12.2541 12.6858 12.6858 k = 0.0000 0.0000 0.1886 ( 4952 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7878 -25.7878 -25.7862 -25.7862 -18.1130 -18.1130 -18.1041 -18.1041 -18.0177 -18.0177 -18.0165 -18.0165 -2.0005 -2.0005 -1.6077 -1.6077 -0.0735 -0.0735 4.7201 4.7201 7.6951 7.6951 7.8510 7.8510 8.0708 8.0708 8.1272 8.1272 8.1806 8.1806 8.7819 8.7819 8.9019 8.9019 9.2978 9.2978 9.5239 9.5239 10.2196 10.2196 11.5655 11.5655 11.9882 11.9882 12.2541 12.2541 12.6858 12.6858 k = 0.0000 0.0116 0.1886 ( 4948 PWs) bands (ev): -51.4738 -51.4738 -51.4738 -51.4738 -25.7877 -25.7877 -25.7862 -25.7862 -18.1130 -18.1130 -18.1041 -18.1041 -18.0178 -18.0178 -18.0166 -18.0166 -1.9993 -1.9993 -1.6063 -1.6063 -0.0726 -0.0726 4.7217 4.7217 7.6711 7.6711 7.8505 7.8505 8.0682 8.0682 8.1349 8.1349 8.1891 8.1891 8.7679 8.7679 8.9100 8.9100 9.2993 9.2993 9.5238 9.5238 10.2172 10.2172 11.5710 11.5710 11.9946 11.9946 12.2439 12.2439 12.6859 12.6859 k = 0.0000 0.0233 0.1886 ( 4946 PWs) bands (ev): -51.4738 -51.4738 -51.4738 -51.4738 -25.7878 -25.7878 -25.7862 -25.7862 -18.1130 -18.1130 -18.1041 -18.1041 -18.0181 -18.0181 -18.0169 -18.0169 -1.9956 -1.9956 -1.6021 -1.6021 -0.0700 -0.0700 4.7265 4.7265 7.6071 7.6071 7.8488 7.8488 8.0606 8.0606 8.1482 8.1482 8.2165 8.2165 8.7337 8.7337 8.9273 8.9273 9.3038 9.3038 9.5237 9.5237 10.2102 10.2102 11.5872 11.5872 12.0133 12.0133 12.2156 12.2156 12.6813 12.6813 k = 0.0000 0.0349 0.1886 ( 4946 PWs) bands (ev): -51.4738 -51.4738 -51.4738 -51.4738 -25.7878 -25.7878 -25.7864 -25.7864 -18.1130 -18.1130 -18.1042 -18.1042 -18.0184 -18.0184 -18.0174 -18.0174 -1.9895 -1.9895 -1.5951 -1.5951 -0.0657 -0.0657 4.7345 4.7345 7.5165 7.5165 7.8452 7.8452 8.0478 8.0478 8.1596 8.1596 8.2575 8.2575 8.6888 8.6888 8.9452 8.9452 9.3111 9.3111 9.5239 9.5239 10.1990 10.1990 11.6131 11.6131 12.0427 12.0427 12.1758 12.1758 12.6640 12.6640 k = 0.0000 0.0465 0.1886 ( 4954 PWs) bands (ev): -51.4738 -51.4738 -51.4738 -51.4738 -25.7880 -25.7880 -25.7866 -25.7866 -18.1132 -18.1132 -18.1044 -18.1044 -18.0191 -18.0191 -18.0180 -18.0180 -1.9810 -1.9810 -1.5854 -1.5854 -0.0596 -0.0596 4.7456 4.7456 7.4085 7.4085 7.8385 7.8385 8.0295 8.0295 8.1707 8.1707 8.3017 8.3017 8.6385 8.6385 8.9606 8.9606 9.3207 9.3207 9.5247 9.5247 10.1842 10.1842 11.6471 11.6471 12.0705 12.0705 12.1415 12.1415 12.6326 12.6326 k = 0.0000 0.0581 0.1886 ( 4948 PWs) bands (ev): -51.4738 -51.4738 -51.4737 -51.4737 -25.7881 -25.7881 -25.7867 -25.7867 -18.1132 -18.1132 -18.1045 -18.1045 -18.0198 -18.0198 -18.0188 -18.0188 -1.9701 -1.9701 -1.5729 -1.5729 -0.0518 -0.0518 4.7599 4.7599 7.2885 7.2885 7.8270 7.8270 8.0056 8.0056 8.1831 8.1831 8.3433 8.3433 8.5866 8.5866 8.9729 8.9729 9.3324 9.3324 9.5264 9.5264 10.1667 10.1667 11.6868 11.6868 12.0454 12.0454 12.1673 12.1673 12.5921 12.5921 k = 0.0000 0.0698 0.1886 ( 4952 PWs) bands (ev): -51.4737 -51.4737 -51.4737 -51.4737 -25.7883 -25.7883 -25.7870 -25.7870 -18.1134 -18.1134 -18.1047 -18.1047 -18.0208 -18.0208 -18.0198 -18.0198 -1.9568 -1.9568 -1.5577 -1.5577 -0.0423 -0.0423 4.7773 4.7773 7.1596 7.1596 7.8080 7.8080 7.9757 7.9757 8.1975 8.1975 8.3786 8.3786 8.5377 8.5377 8.9823 8.9823 9.3457 9.3457 9.5293 9.5293 10.1473 10.1473 11.7284 11.7284 11.9931 11.9931 12.2305 12.2305 12.5480 12.5480 k = 0.0000 0.0814 0.1886 ( 4950 PWs) bands (ev): -51.4737 -51.4737 -51.4737 -51.4737 -25.7886 -25.7886 -25.7872 -25.7872 -18.1136 -18.1136 -18.1050 -18.1050 -18.0219 -18.0219 -18.0208 -18.0208 -1.9411 -1.9411 -1.5398 -1.5398 -0.0310 -0.0310 4.7978 4.7978 7.0237 7.0237 7.7785 7.7785 7.9402 7.9402 8.2139 8.2139 8.4026 8.4026 8.5002 8.5002 8.9892 8.9892 9.3602 9.3602 9.5334 9.5334 10.1269 10.1269 11.7635 11.7635 11.9451 11.9451 12.3038 12.3038 12.5069 12.5069 k = 0.0000 0.0930 0.1886 ( 4958 PWs) bands (ev): -51.4736 -51.4736 -51.4736 -51.4736 -25.7889 -25.7889 -25.7875 -25.7875 -18.1139 -18.1139 -18.1053 -18.1053 -18.0231 -18.0231 -18.0221 -18.0221 -1.9232 -1.9232 -1.5193 -1.5193 -0.0181 -0.0181 4.8213 4.8213 6.8823 6.8823 7.7353 7.7353 7.8989 7.8989 8.2326 8.2326 8.4030 8.4030 8.4898 8.4898 8.9942 8.9942 9.3755 9.3755 9.5387 9.5387 10.1065 10.1065 11.7689 11.7689 11.9272 11.9272 12.3631 12.3631 12.4906 12.4906 k = 0.0000 0.1047 0.1886 ( 4956 PWs) bands (ev): -51.4736 -51.4736 -51.4736 -51.4736 -25.7892 -25.7892 -25.7878 -25.7878 -18.1142 -18.1142 -18.1056 -18.1056 -18.0245 -18.0245 -18.0234 -18.0234 -1.9029 -1.9029 -1.4962 -1.4962 -0.0034 -0.0034 4.8478 4.8478 6.7364 6.7364 7.6769 7.6769 7.8514 7.8514 8.2534 8.2534 8.3858 8.3858 8.5040 8.5040 8.9978 8.9978 9.3913 9.3913 9.5447 9.5447 10.0870 10.0870 11.7305 11.7305 11.9539 11.9539 12.3589 12.3589 12.5476 12.5476 k = 0.0000 0.1163 0.1886 ( 4958 PWs) bands (ev): -51.4735 -51.4735 -51.4735 -51.4735 -25.7895 -25.7895 -25.7882 -25.7882 -18.1145 -18.1145 -18.1060 -18.1060 -18.0259 -18.0259 -18.0249 -18.0249 -1.8803 -1.8803 -1.4706 -1.4706 0.0129 0.0129 4.8772 4.8772 6.5870 6.5870 7.6038 7.6038 7.7967 7.7967 8.2765 8.2765 8.3707 8.3707 8.5252 8.5252 9.0004 9.0004 9.4072 9.4072 9.5507 9.5507 10.0693 10.0693 11.6713 11.6713 12.0023 12.0023 12.3213 12.3213 12.6467 12.6467 k = 0.0000 0.1279 0.1886 ( 4962 PWs) bands (ev): -51.4734 -51.4734 -51.4734 -51.4734 -25.7899 -25.7899 -25.7886 -25.7886 -18.1150 -18.1150 -18.1065 -18.1065 -18.0275 -18.0275 -18.0264 -18.0264 -1.8556 -1.8556 -1.4426 -1.4426 0.0309 0.0309 4.9094 4.9094 6.4348 6.4348 7.5179 7.5179 7.7341 7.7341 8.3016 8.3016 8.3642 8.3642 8.5476 8.5476 9.0025 9.0025 9.4229 9.4229 9.5561 9.5561 10.0545 10.0545 11.6057 11.6057 12.0580 12.0580 12.2783 12.2783 12.7584 12.7584 k = 0.0000 0.1395 0.1886 ( 4978 PWs) bands (ev): -51.4734 -51.4734 -51.4734 -51.4734 -25.7905 -25.7905 -25.7891 -25.7891 -18.1155 -18.1155 -18.1071 -18.1071 -18.0292 -18.0292 -18.0280 -18.0280 -1.8287 -1.8287 -1.4122 -1.4122 0.0506 0.0506 4.9444 4.9444 6.2805 6.2805 7.4216 7.4216 7.6637 7.6637 8.3285 8.3285 8.3669 8.3669 8.5701 8.5701 9.0041 9.0041 9.4381 9.4381 9.5599 9.5599 10.0435 10.0435 11.5381 11.5381 12.1154 12.1154 12.2368 12.2368 12.8753 12.8753 k = 0.0000 0.1512 0.1886 ( 4982 PWs) bands (ev): -51.4733 -51.4733 -51.4733 -51.4733 -25.7909 -25.7909 -25.7895 -25.7895 -18.1161 -18.1161 -18.1077 -18.1077 -18.0309 -18.0309 -18.0296 -18.0296 -1.7996 -1.7996 -1.3795 -1.3795 0.0720 0.0720 4.9819 4.9819 6.1246 6.1246 7.3174 7.3174 7.5862 7.5862 8.3558 8.3558 8.3788 8.3788 8.5924 8.5924 9.0055 9.0055 9.4525 9.4525 9.5614 9.5614 10.0373 10.0373 11.4701 11.4701 12.1595 12.1595 12.2121 12.2121 12.9934 12.9934 k = 0.0000 0.1628 0.1886 ( 4986 PWs) bands (ev): -51.4732 -51.4732 -51.4732 -51.4732 -25.7914 -25.7914 -25.7900 -25.7900 -18.1168 -18.1168 -18.1085 -18.1085 -18.0326 -18.0326 -18.0312 -18.0312 -1.7686 -1.7686 -1.3447 -1.3447 0.0950 0.0950 5.0218 5.0218 5.9677 5.9677 7.2071 7.2071 7.5025 7.5025 8.3805 8.3805 8.4016 8.4016 8.6148 8.6148 9.0067 9.0067 9.4655 9.4655 9.5600 9.5600 10.0365 10.0365 11.4028 11.4028 12.1401 12.1401 12.2543 12.2543 13.1082 13.1082 k = 0.0000 0.1744 0.1886 ( 4994 PWs) bands (ev): -51.4731 -51.4731 -51.4731 -51.4731 -25.7919 -25.7919 -25.7905 -25.7905 -18.1177 -18.1177 -18.1093 -18.1093 -18.0343 -18.0343 -18.0329 -18.0329 -1.7355 -1.7355 -1.3078 -1.3078 0.1198 0.1198 5.0638 5.0638 5.8104 5.8104 7.0926 7.0926 7.4140 7.4140 8.4032 8.4032 8.4331 8.4331 8.6372 8.6372 9.0077 9.0077 9.4767 9.4767 9.5554 9.5554 10.0416 10.0416 11.3364 11.3364 12.1039 12.1039 12.3166 12.3166 13.1818 13.1818 k = 0.0000 0.1860 0.1886 ( 4990 PWs) bands (ev): -51.4730 -51.4730 -51.4730 -51.4730 -25.7923 -25.7923 -25.7910 -25.7910 -18.1185 -18.1185 -18.1103 -18.1103 -18.0360 -18.0360 -18.0344 -18.0344 -1.7006 -1.7006 -1.2691 -1.2691 0.1462 0.1462 5.1073 5.1073 5.6533 5.6533 6.9752 6.9752 7.3215 7.3215 8.4268 8.4268 8.4690 8.4690 8.6597 8.6597 9.0086 9.0086 9.4854 9.4854 9.5483 9.5483 10.0527 10.0527 11.2712 11.2712 12.0680 12.0680 12.3821 12.3821 13.1733 13.1733 k = 0.0000 0.1977 0.1886 ( 4998 PWs) bands (ev): -51.4730 -51.4730 -51.4729 -51.4729 -25.7929 -25.7929 -25.7916 -25.7916 -18.1196 -18.1196 -18.1114 -18.1114 -18.0377 -18.0377 -18.0360 -18.0360 -1.6638 -1.6638 -1.2286 -1.2286 0.1743 0.1743 5.1505 5.1505 5.4983 5.4983 6.8561 6.8561 7.2263 7.2263 8.4518 8.4518 8.5078 8.5078 8.6823 8.6823 9.0094 9.0094 9.4899 9.4899 9.5403 9.5403 10.0693 10.0693 11.2075 11.2075 12.0337 12.0337 12.4493 12.4493 13.1531 13.1531 k = 0.0000 0.2093 0.1886 ( 4998 PWs) bands (ev): -51.4729 -51.4729 -51.4728 -51.4728 -25.7934 -25.7934 -25.7921 -25.7921 -18.1207 -18.1207 -18.1125 -18.1125 -18.0393 -18.0393 -18.0375 -18.0375 -1.6253 -1.6253 -1.1866 -1.1866 0.2042 0.2042 5.1849 5.1849 5.3542 5.3542 6.7363 6.7363 7.1292 7.1292 8.4773 8.4773 8.5489 8.5489 8.7048 8.7048 9.0100 9.0100 9.4876 9.4876 9.5347 9.5347 10.0910 10.0910 11.1451 11.1451 12.0013 12.0013 12.5177 12.5177 13.1287 13.1287 k = 0.0000 0.2209 0.1886 ( 4990 PWs) bands (ev): -51.4728 -51.4728 -51.4727 -51.4727 -25.7939 -25.7939 -25.7926 -25.7926 -18.1219 -18.1219 -18.1138 -18.1138 -18.0408 -18.0408 -18.0388 -18.0388 -1.5851 -1.5851 -1.1432 -1.1432 0.2358 0.2358 5.1392 5.1392 5.2918 5.2918 6.6166 6.6166 7.0315 7.0315 8.5026 8.5026 8.5922 8.5922 8.7271 8.7271 9.0108 9.0108 9.4771 9.4771 9.5338 9.5338 10.1172 10.1172 11.0840 11.0840 11.9707 11.9707 12.5871 12.5871 13.1033 13.1033 k = 0.0000 0.2326 0.1886 ( 4986 PWs) bands (ev): -51.4727 -51.4727 -51.4726 -51.4726 -25.7944 -25.7944 -25.7931 -25.7931 -18.1232 -18.1232 -18.1153 -18.1153 -18.0422 -18.0422 -18.0401 -18.0401 -1.5434 -1.5434 -1.0986 -1.0986 0.2692 0.2692 4.9996 4.9996 5.3248 5.3248 6.4980 6.4980 6.9340 6.9340 8.5265 8.5265 8.6374 8.6374 8.7489 8.7489 9.0117 9.0117 9.4608 9.4608 9.5363 9.5363 10.1470 10.1470 11.0238 11.0238 11.9415 11.9415 12.6574 12.6574 13.0795 13.0795 k = 0.0000 0.2442 0.1886 ( 4984 PWs) bands (ev): -51.4726 -51.4726 -51.4725 -51.4725 -25.7949 -25.7949 -25.7936 -25.7936 -18.1246 -18.1246 -18.1168 -18.1168 -18.0436 -18.0436 -18.0414 -18.0414 -1.5002 -1.5002 -1.0532 -1.0532 0.3045 0.3045 4.8468 4.8468 5.3721 5.3721 6.3810 6.3810 6.8381 6.8381 8.5478 8.5478 8.6843 8.6843 8.7700 8.7700 9.0132 9.0132 9.4414 9.4414 9.5406 9.5406 10.1798 10.1798 10.9643 10.9643 11.9134 11.9134 12.7281 12.7281 13.0594 13.0594 k = 0.0000 0.2558 0.1886 ( 4986 PWs) bands (ev): -51.4725 -51.4725 -51.4724 -51.4724 -25.7954 -25.7954 -25.7942 -25.7942 -18.1261 -18.1261 -18.1185 -18.1185 -18.0448 -18.0448 -18.0425 -18.0425 -1.4558 -1.4558 -1.0071 -1.0071 0.3418 0.3418 4.6923 4.6923 5.4214 5.4214 6.2663 6.2663 6.7449 6.7449 8.5653 8.5653 8.7326 8.7326 8.7900 8.7900 9.0157 9.0157 9.4206 9.4206 9.5466 9.5466 10.2149 10.2149 10.9052 10.9052 11.8855 11.8855 12.7986 12.7986 13.0450 13.0450 k = 0.0000 0.2674 0.1886 ( 4978 PWs) bands (ev): -51.4723 -51.4723 -51.4723 -51.4723 -25.7959 -25.7959 -25.7947 -25.7947 -18.1277 -18.1277 -18.1203 -18.1203 -18.0459 -18.0459 -18.0435 -18.0435 -1.4102 -1.4102 -0.9608 -0.9608 0.3811 0.3811 4.5379 4.5379 5.4696 5.4696 6.1547 6.1547 6.6563 6.6563 8.5778 8.5778 8.7816 8.7816 8.8086 8.8086 9.0198 9.0198 9.3996 9.3996 9.5549 9.5549 10.2517 10.2517 10.8459 10.8459 11.8572 11.8572 12.8667 12.8667 13.0366 13.0366 k = 0.0000 0.2791 0.1886 ( 4978 PWs) bands (ev): -51.4722 -51.4722 -51.4722 -51.4722 -25.7965 -25.7965 -25.7952 -25.7952 -18.1295 -18.1295 -18.1222 -18.1222 -18.0469 -18.0469 -18.0444 -18.0444 -1.3635 -1.3635 -0.9145 -0.9145 0.4225 0.4225 4.3842 4.3842 5.5143 5.5143 6.0470 6.0470 6.5743 6.5743 8.5838 8.5838 8.8233 8.8233 8.8326 8.8326 9.0262 9.0262 9.3794 9.3794 9.5661 9.5661 10.2896 10.2896 10.7863 10.7863 11.8275 11.8275 12.9227 12.9227 13.0262 13.0262 k = 0.0000 0.2907 0.1886 ( 4978 PWs) bands (ev): -51.4721 -51.4721 -51.4721 -51.4721 -25.7970 -25.7970 -25.7958 -25.7958 -18.1312 -18.1312 -18.1241 -18.1241 -18.0477 -18.0477 -18.0453 -18.0453 -1.3159 -1.3159 -0.8686 -0.8686 0.4663 0.4663 4.2317 4.2317 5.5522 5.5522 5.9441 5.9441 6.5018 6.5018 8.5821 8.5821 8.8385 8.8385 8.8799 8.8799 9.0358 9.0358 9.3614 9.3614 9.5812 9.5812 10.3279 10.3279 10.7262 10.7262 11.7952 11.7952 12.9297 12.9297 13.0353 13.0353 k = 0.0000 0.3023 0.1886 ( 4978 PWs) bands (ev): -51.4720 -51.4720 -51.4720 -51.4720 -25.7975 -25.7975 -25.7963 -25.7963 -18.1330 -18.1330 -18.1262 -18.1262 -18.0485 -18.0485 -18.0460 -18.0460 -1.2676 -1.2676 -0.8235 -0.8235 0.5125 0.5125 4.0805 4.0805 5.5785 5.5785 5.8478 5.8478 6.4425 6.4425 8.5720 8.5720 8.8503 8.8503 8.9248 8.9248 9.0496 9.0496 9.3473 9.3473 9.6008 9.6008 10.3659 10.3659 10.6656 10.6656 11.7591 11.7591 12.8979 12.8979 13.0638 13.0638 k = 0.0000 0.3140 0.1886 ( 4974 PWs) bands (ev): -51.4719 -51.4719 -51.4719 -51.4719 -25.7980 -25.7980 -25.7968 -25.7968 -18.1348 -18.1348 -18.1282 -18.1282 -18.0491 -18.0491 -18.0467 -18.0467 -1.2187 -1.2187 -0.7797 -0.7797 0.5614 0.5614 3.9307 3.9307 5.5857 5.5857 5.7620 5.7620 6.4007 6.4007 8.5528 8.5528 8.8596 8.8596 8.9634 8.9634 9.0685 9.0685 9.3398 9.3398 9.6252 9.6252 10.4030 10.4030 10.6046 10.6046 11.7182 11.7182 12.8633 12.8633 13.0965 13.0965 k = 0.0000 0.3256 0.1886 ( 4982 PWs) bands (ev): -51.4719 -51.4719 -51.4719 -51.4719 -25.7985 -25.7985 -25.7974 -25.7974 -18.1366 -18.1366 -18.1303 -18.1303 -18.0497 -18.0497 -18.0472 -18.0472 -1.1695 -1.1695 -0.7376 -0.7376 0.6131 0.6131 3.7825 3.7825 5.5634 5.5634 5.6939 5.6939 6.3804 6.3804 8.5245 8.5245 8.8666 8.8666 8.9927 8.9927 9.0922 9.0922 9.3424 9.3424 9.6543 9.6543 10.4379 10.4379 10.5441 10.5441 11.6714 11.6714 12.8343 12.8343 13.1370 13.1370 k = 0.0000 0.3372 0.1886 ( 4978 PWs) bands (ev): -51.4718 -51.4718 -51.4718 -51.4718 -25.7989 -25.7989 -25.7979 -25.7979 -18.1384 -18.1384 -18.1324 -18.1324 -18.0501 -18.0501 -18.0477 -18.0477 -1.1201 -1.1201 -0.6976 -0.6976 0.6679 0.6679 3.6361 3.6361 5.5101 5.5101 5.6440 5.6440 6.3832 6.3832 8.4875 8.4875 8.8717 8.8717 9.0115 9.0115 9.1181 9.1181 9.3585 9.3585 9.6879 9.6879 10.4616 10.4616 10.4929 10.4929 11.6180 11.6180 12.8134 12.8134 13.1858 13.1858 k = 0.0000 0.3488 0.1886 ( 4972 PWs) bands (ev): -51.4717 -51.4717 -51.4717 -51.4717 -25.7993 -25.7993 -25.7983 -25.7983 -18.1401 -18.1401 -18.1345 -18.1345 -18.0504 -18.0504 -18.0482 -18.0482 -1.0707 -1.0707 -0.6602 -0.6602 0.7258 0.7258 3.4915 3.4915 5.4425 5.4425 5.5980 5.5980 6.4072 6.4072 8.4424 8.4424 8.8752 8.8752 9.0207 9.0207 9.1435 9.1435 9.3896 9.3896 9.7253 9.7253 10.4174 10.4174 10.5078 10.5078 11.5580 11.5580 12.8017 12.8017 13.2423 13.2423 k = 0.0000 0.3605 0.1886 ( 4974 PWs) bands (ev): -51.4716 -51.4716 -51.4716 -51.4716 -25.7997 -25.7997 -25.7988 -25.7988 -18.1417 -18.1417 -18.1365 -18.1365 -18.0507 -18.0507 -18.0485 -18.0485 -1.0216 -1.0216 -0.6259 -0.6259 0.7873 0.7873 3.3488 3.3488 5.3732 5.3732 5.5475 5.5475 6.4488 6.4488 8.3898 8.3898 8.8774 8.8774 9.0219 9.0219 9.1683 9.1683 9.4339 9.4339 9.7655 9.7655 10.3601 10.3601 10.5341 10.5341 11.4914 11.4914 12.7995 12.7995 13.3054 13.3054 k = 0.0000 0.3721 0.1886 ( 4976 PWs) bands (ev): -51.4715 -51.4715 -51.4715 -51.4715 -25.8001 -25.8001 -25.7992 -25.7992 -18.1433 -18.1433 -18.1385 -18.1385 -18.0509 -18.0509 -18.0489 -18.0489 -0.9730 -0.9730 -0.5951 -0.5951 0.8523 0.8523 3.2082 3.2082 5.3072 5.3072 5.4924 5.4924 6.5037 6.5037 8.3305 8.3305 8.8788 8.8788 9.0172 9.0172 9.1937 9.1937 9.4877 9.4877 9.8072 9.8072 10.3052 10.3052 10.5571 10.5571 11.4187 11.4187 12.8066 12.8066 13.3735 13.3735 k = 0.0000 0.3837 0.1886 ( 4978 PWs) bands (ev): -51.4715 -51.4715 -51.4715 -51.4715 -25.8004 -25.8004 -25.7997 -25.7997 -18.1448 -18.1448 -18.1404 -18.1404 -18.0511 -18.0511 -18.0492 -18.0492 -0.9252 -0.9252 -0.5682 -0.5682 0.9212 0.9212 3.0698 3.0698 5.2464 5.2464 5.4346 5.4346 6.5684 6.5684 8.2653 8.2653 8.8796 8.8796 9.0084 9.0084 9.2205 9.2205 9.5473 9.5473 9.8488 9.8488 10.2555 10.2555 10.5756 10.5756 11.3408 11.3408 12.8225 12.8225 13.4446 13.4446 k = 0.0000 0.3953 0.1886 ( 4978 PWs) bands (ev): -51.4714 -51.4714 -51.4714 -51.4714 -25.8008 -25.8008 -25.8001 -25.8001 -18.1462 -18.1462 -18.1422 -18.1422 -18.0512 -18.0512 -18.0494 -18.0494 -0.8784 -0.8784 -0.5455 -0.5455 0.9939 0.9939 2.9335 2.9335 5.1917 5.1917 5.3765 5.3765 6.6404 6.6404 8.1950 8.1950 8.8800 8.8800 8.9973 8.9973 9.2489 9.2489 9.6091 9.6091 9.8876 9.8876 10.2148 10.2148 10.5889 10.5889 11.2584 11.2584 12.8465 12.8465 13.5153 13.5153 k = 0.0000 0.4070 0.1886 ( 4974 PWs) bands (ev): -51.4713 -51.4713 -51.4713 -51.4713 -25.8010 -25.8010 -25.8004 -25.8004 -18.1475 -18.1475 -18.1438 -18.1438 -18.0512 -18.0512 -18.0496 -18.0496 -0.8330 -0.8330 -0.5273 -0.5273 1.0707 1.0707 2.7997 2.7997 5.1436 5.1436 5.3196 5.3196 6.7178 6.7178 8.1201 8.1201 8.8805 8.8805 8.9850 8.9850 9.2790 9.2790 9.6689 9.6689 9.9209 9.9209 10.1885 10.1885 10.5966 10.5966 11.1726 11.1726 12.8778 12.8778 13.5808 13.5808 k = 0.0000 0.4186 0.1886 ( 4976 PWs) bands (ev): -51.4713 -51.4713 -51.4713 -51.4713 -25.8013 -25.8013 -25.8007 -25.8007 -18.1486 -18.1486 -18.1454 -18.1454 -18.0512 -18.0512 -18.0498 -18.0498 -0.7892 -0.7892 -0.5138 -0.5138 1.1514 1.1514 2.6683 2.6683 5.1025 5.1025 5.2652 5.2652 6.7993 6.7993 8.0414 8.0414 8.8811 8.8811 8.9724 8.9724 9.3107 9.3107 9.7188 9.7188 9.9491 9.9491 10.1827 10.1827 10.5983 10.5983 11.0841 11.0841 12.9156 12.9156 13.6363 13.6363 k = 0.0000 0.4302 0.1886 ( 4972 PWs) bands (ev): -51.4712 -51.4712 -51.4712 -51.4712 -25.8015 -25.8015 -25.8010 -25.8010 -18.1495 -18.1495 -18.1468 -18.1468 -18.0512 -18.0512 -18.0500 -18.0500 -0.7472 -0.7472 -0.5051 -0.5051 1.2363 1.2363 2.5395 2.5395 5.0685 5.0685 5.2144 5.2144 6.8840 6.8840 7.9594 7.9594 8.8820 8.8820 8.9601 8.9601 9.3439 9.3439 9.7470 9.7470 9.9822 9.9822 10.1982 10.1982 10.5938 10.5938 10.9936 10.9936 12.9592 12.9592 13.6797 13.6797 k = 0.0000 0.4419 0.1886 ( 4972 PWs) bands (ev): -51.4712 -51.4712 -51.4712 -51.4712 -25.8016 -25.8016 -25.8012 -25.8012 -18.1503 -18.1503 -18.1480 -18.1480 -18.0511 -18.0511 -18.0501 -18.0501 -0.7076 -0.7076 -0.5014 -0.5014 1.3251 1.3251 2.4133 2.4133 5.0419 5.0419 5.1679 5.1679 6.9711 6.9711 7.8746 7.8746 8.8835 8.8835 8.9483 8.9483 9.3786 9.3786 9.7467 9.7467 10.0323 10.0323 10.2289 10.2289 10.5833 10.5833 10.9020 10.9020 13.0079 13.0079 13.6350 13.6350 k = 0.0000 0.4535 0.1886 ( 4962 PWs) bands (ev): -51.4712 -51.4712 -51.4712 -51.4712 -25.8017 -25.8017 -25.8014 -25.8014 -18.1509 -18.1509 -18.1490 -18.1490 -18.0511 -18.0511 -18.0502 -18.0502 -0.6705 -0.6705 -0.5025 -0.5025 1.4179 1.4179 2.2899 2.2899 5.0227 5.0227 5.1264 5.1264 7.0600 7.0600 7.7876 7.7876 8.8857 8.8857 8.9372 8.9372 9.4147 9.4147 9.7248 9.7248 10.0983 10.0983 10.2678 10.2678 10.5669 10.5669 10.8100 10.8100 13.0609 13.0609 13.5714 13.5714 k = 0.0000 0.4651 0.1886 ( 4970 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8019 -25.8019 -25.8016 -25.8016 -18.1513 -18.1513 -18.1499 -18.1499 -18.0510 -18.0510 -18.0504 -18.0504 -0.6363 -0.6363 -0.5085 -0.5085 1.5145 1.5145 2.1695 2.1695 5.0110 5.0110 5.0904 5.0904 7.1504 7.1504 7.6987 7.6987 8.8886 8.8886 8.9271 8.9271 9.4522 9.4522 9.6916 9.6916 10.1738 10.1738 10.3098 10.3098 10.5452 10.5452 10.7182 10.7182 13.1178 13.1178 13.5053 13.5053 k = 0.0000 0.4767 0.1886 ( 4972 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8019 -25.8019 -25.8018 -25.8018 -18.1516 -18.1516 -18.1506 -18.1506 -18.0510 -18.0510 -18.0505 -18.0505 -0.6053 -0.6053 -0.5192 -0.5192 1.6150 1.6150 2.0520 2.0520 5.0067 5.0067 5.0604 5.0604 7.2417 7.2417 7.6085 7.6085 8.8925 8.8925 8.9181 8.9181 9.4910 9.4910 9.6531 9.6531 10.2541 10.2541 10.3513 10.3513 10.5191 10.5191 10.6280 10.6280 13.1778 13.1778 13.4383 13.4383 k = 0.0000 0.4884 0.1886 ( 4980 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8019 -25.8019 -18.1517 -18.1517 -18.1512 -18.1512 -18.0509 -18.0509 -18.0506 -18.0506 -0.5778 -0.5778 -0.5345 -0.5345 1.7191 1.7191 1.9377 1.9377 5.0096 5.0096 5.0367 5.0367 7.3335 7.3335 7.5173 7.5173 8.8973 8.8973 8.9101 8.9101 9.5309 9.5309 9.6126 9.6126 10.3343 10.3343 10.3875 10.3875 10.4920 10.4920 10.5429 10.5429 13.2405 13.2405 13.3713 13.3713 k = 0.0000 0.5000 0.1886 ( 4984 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1515 -18.1515 -18.1515 -18.1515 -18.0508 -18.0508 -18.0508 -18.0508 -0.5541 -0.5541 -0.5541 -0.5541 1.8267 1.8267 1.8267 1.8267 5.0197 5.0197 5.0197 5.0197 7.4255 7.4255 7.4255 7.4255 8.9032 8.9032 8.9032 8.9032 9.5715 9.5715 9.5715 9.5715 10.3946 10.3946 10.3946 10.3946 10.4845 10.4845 10.4845 10.4845 13.3052 13.3052 13.3052 13.3052 k = 0.0000 0.5000 0.1886 ( 4984 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1515 -18.1515 -18.1515 -18.1515 -18.0508 -18.0508 -18.0508 -18.0508 -0.5541 -0.5541 -0.5541 -0.5541 1.8267 1.8267 1.8267 1.8267 5.0197 5.0197 5.0197 5.0197 7.4255 7.4255 7.4255 7.4255 8.9032 8.9032 8.9032 8.9032 9.5715 9.5715 9.5715 9.5715 10.3946 10.3946 10.3946 10.3946 10.4845 10.4845 10.4845 10.4845 13.3052 13.3052 13.3052 13.3052 k = 0.0116 0.5000 0.1886 ( 4984 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1515 -18.1515 -18.1515 -18.1515 -18.0510 -18.0510 -18.0508 -18.0508 -0.5534 -0.5534 -0.5534 -0.5534 1.8268 1.8268 1.8293 1.8293 5.0184 5.0184 5.0236 5.0236 7.4182 7.4182 7.4320 7.4320 8.8918 8.8918 8.9067 8.9067 9.5563 9.5563 9.5809 9.5809 10.3429 10.3429 10.3433 10.3433 10.5214 10.5214 10.5423 10.5423 13.2981 13.2981 13.3004 13.3004 k = 0.0233 0.5000 0.1886 ( 4980 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8021 -25.8021 -25.8020 -25.8020 -18.1514 -18.1514 -18.1513 -18.1513 -18.0514 -18.0514 -18.0511 -18.0511 -0.5515 -0.5515 -0.5514 -0.5514 1.8297 1.8297 1.8347 1.8347 5.0196 5.0196 5.0302 5.0302 7.4102 7.4102 7.4379 7.4379 8.8726 8.8726 8.9026 8.9026 9.5349 9.5349 9.5845 9.5845 10.2530 10.2530 10.2657 10.2657 10.5878 10.5878 10.6183 10.6183 13.2818 13.2818 13.2845 13.2845 k = 0.0349 0.5000 0.1886 ( 4964 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8021 -25.8021 -25.8020 -25.8020 -18.1513 -18.1513 -18.1511 -18.1511 -18.0520 -18.0520 -18.0515 -18.0515 -0.5482 -0.5482 -0.5481 -0.5481 1.8354 1.8354 1.8429 1.8429 5.0235 5.0235 5.0392 5.0392 7.4014 7.4014 7.4430 7.4430 8.8456 8.8456 8.8912 8.8912 9.5066 9.5066 9.5821 9.5821 10.1553 10.1553 10.1832 10.1832 10.6540 10.6540 10.6920 10.6920 13.2604 13.2604 13.2610 13.2610 k = 0.0465 0.5000 0.1886 ( 4948 PWs) bands (ev): -51.4710 -51.4710 -51.4710 -51.4710 -25.8022 -25.8022 -25.8020 -25.8020 -18.1511 -18.1511 -18.1508 -18.1508 -18.0528 -18.0528 -18.0521 -18.0521 -0.5437 -0.5437 -0.5436 -0.5436 1.8438 1.8438 1.8539 1.8539 5.0300 5.0300 5.0508 5.0508 7.3917 7.3917 7.4474 7.4474 8.8114 8.8114 8.8729 8.8729 9.4709 9.4709 9.5733 9.5733 10.0533 10.0533 10.0991 10.0991 10.7169 10.7169 10.7614 10.7614 13.2344 13.2344 13.2385 13.2385 k = 0.0581 0.5000 0.1886 ( 4960 PWs) bands (ev): -51.4710 -51.4710 -51.4710 -51.4710 -25.8024 -25.8024 -25.8022 -25.8022 -18.1508 -18.1508 -18.1506 -18.1506 -18.0539 -18.0539 -18.0531 -18.0531 -0.5378 -0.5378 -0.5377 -0.5377 1.8550 1.8550 1.8675 1.8675 5.0389 5.0389 5.0648 5.0648 7.3810 7.3810 7.4510 7.4510 8.7701 8.7701 8.8482 8.8482 9.4264 9.4264 9.5569 9.5569 9.9492 9.9492 10.0154 10.0154 10.7762 10.7762 10.8261 10.8261 13.2085 13.2085 13.2194 13.2194 k = 0.0698 0.5000 0.1886 ( 4956 PWs) bands (ev): -51.4710 -51.4710 -51.4710 -51.4710 -25.8026 -25.8026 -25.8023 -25.8023 -18.1505 -18.1505 -18.1502 -18.1502 -18.0552 -18.0552 -18.0543 -18.0543 -0.5307 -0.5307 -0.5306 -0.5306 1.8689 1.8689 1.8839 1.8839 5.0504 5.0504 5.0811 5.0811 7.3691 7.3691 7.4537 7.4537 8.7226 8.7226 8.8179 8.8179 9.3721 9.3721 9.5308 9.5308 9.8459 9.8459 9.9338 9.9338 10.8316 10.8316 10.8863 10.8863 13.1865 13.1865 13.2055 13.2055 k = 0.0814 0.5000 0.1886 ( 4968 PWs) bands (ev): -51.4709 -51.4709 -51.4709 -51.4709 -25.8029 -25.8029 -25.8026 -25.8026 -18.1502 -18.1502 -18.1499 -18.1499 -18.0568 -18.0568 -18.0557 -18.0557 -0.5224 -0.5224 -0.5222 -0.5222 1.8856 1.8856 1.9030 1.9030 5.0643 5.0643 5.0996 5.0996 7.3559 7.3559 7.4553 7.4553 8.6696 8.6696 8.7825 8.7825 9.3068 9.3068 9.4901 9.4901 9.7487 9.7487 9.8559 9.8559 10.8836 10.8836 10.9424 10.9424 13.1702 13.1702 13.1982 13.1982 k = 0.0930 0.5000 0.1886 ( 4960 PWs) bands (ev): -51.4709 -51.4709 -51.4709 -51.4709 -25.8031 -25.8031 -25.8028 -25.8028 -18.1498 -18.1498 -18.1494 -18.1494 -18.0584 -18.0584 -18.0572 -18.0572 -0.5129 -0.5129 -0.5126 -0.5126 1.9050 1.9050 1.9248 1.9248 5.0805 5.0805 5.1203 5.1203 7.3412 7.3412 7.4556 7.4556 8.6119 8.6119 8.7430 8.7430 9.2300 9.2300 9.4278 9.4278 9.6652 9.6652 9.7830 9.7830 10.9325 10.9325 10.9949 10.9949 13.1608 13.1608 13.1983 13.1983 k = 0.1047 0.5000 0.1886 ( 4968 PWs) bands (ev): -51.4708 -51.4708 -51.4708 -51.4708 -25.8034 -25.8034 -25.8031 -25.8031 -18.1494 -18.1494 -18.1489 -18.1489 -18.0603 -18.0603 -18.0590 -18.0590 -0.5021 -0.5021 -0.5019 -0.5019 1.9271 1.9271 1.9493 1.9493 5.0990 5.0990 5.1430 5.1430 7.3249 7.3249 7.4542 7.4542 8.5505 8.5505 8.7002 8.7002 9.1416 9.1416 9.3402 9.3402 9.6000 9.6000 9.7155 9.7155 10.9789 10.9789 11.0444 11.0444 13.1586 13.1586 13.2058 13.2058 k = 0.1163 0.5000 0.1886 ( 4968 PWs) bands (ev): -51.4708 -51.4708 -51.4708 -51.4708 -25.8038 -25.8038 -25.8034 -25.8034 -18.1489 -18.1489 -18.1484 -18.1484 -18.0624 -18.0624 -18.0609 -18.0609 -0.4903 -0.4903 -0.4899 -0.4899 1.9519 1.9519 1.9764 1.9764 5.1196 5.1196 5.1675 5.1675 7.3068 7.3068 7.4509 7.4509 8.4866 8.4866 8.6548 8.6548 9.0428 9.0428 9.2325 9.2325 9.5484 9.5484 9.6529 9.6529 11.0232 11.0232 11.0916 11.0916 13.1638 13.1638 13.2204 13.2204 k = 0.1279 0.5000 0.1886 ( 4968 PWs) bands (ev): -51.4707 -51.4707 -51.4707 -51.4707 -25.8041 -25.8041 -25.8037 -25.8037 -18.1484 -18.1484 -18.1479 -18.1479 -18.0646 -18.0646 -18.0630 -18.0630 -0.4773 -0.4773 -0.4769 -0.4769 1.9794 1.9794 2.0061 2.0061 5.1422 5.1422 5.1936 5.1936 7.2866 7.2866 7.4450 7.4450 8.4213 8.4213 8.6077 8.6077 8.9350 8.9350 9.1127 9.1127 9.5033 9.5033 9.5945 9.5945 11.0660 11.0660 11.1372 11.1372 13.1757 13.1757 13.2415 13.2415 k = 0.1395 0.5000 0.1886 ( 4964 PWs) bands (ev): -51.4706 -51.4706 -51.4706 -51.4706 -25.8045 -25.8045 -25.8040 -25.8040 -18.1478 -18.1478 -18.1472 -18.1472 -18.0669 -18.0669 -18.0652 -18.0652 -0.4633 -0.4633 -0.4628 -0.4628 2.0095 2.0095 2.0385 2.0385 5.1667 5.1667 5.2211 5.2211 7.2641 7.2641 7.4359 7.4359 8.3561 8.3561 8.5596 8.5596 8.8198 8.8198 8.9859 8.9859 9.4605 9.4605 9.5393 9.5393 11.1080 11.1080 11.1817 11.1817 13.1937 13.1937 13.2681 13.2681 k = 0.1512 0.5000 0.1886 ( 4960 PWs) bands (ev): -51.4705 -51.4705 -51.4705 -51.4705 -25.8048 -25.8048 -25.8043 -25.8043 -18.1472 -18.1472 -18.1466 -18.1466 -18.0694 -18.0694 -18.0676 -18.0676 -0.4482 -0.4482 -0.4477 -0.4477 2.0423 2.0423 2.0734 2.0734 5.1928 5.1928 5.2499 5.2499 7.2392 7.2392 7.4228 7.4228 8.2923 8.2923 8.5110 8.5110 8.6989 8.6989 8.8555 8.8555 9.4180 9.4180 9.4866 9.4866 11.1495 11.1495 11.2258 11.2258 13.2167 13.2167 13.2990 13.2990 k = 0.1628 0.5000 0.1886 ( 4956 PWs) bands (ev): -51.4704 -51.4704 -51.4704 -51.4704 -25.8052 -25.8052 -25.8047 -25.8047 -18.1466 -18.1466 -18.1459 -18.1459 -18.0720 -18.0720 -18.0701 -18.0701 -0.4322 -0.4322 -0.4317 -0.4317 2.0776 2.0776 2.1108 2.1108 5.2204 5.2204 5.2795 5.2795 7.2117 7.2117 7.4048 7.4048 8.2314 8.2314 8.4617 8.4617 8.5738 8.5738 8.7238 8.7238 9.3750 9.3750 9.4357 9.4357 11.1909 11.1909 11.2699 11.2699 13.2434 13.2434 13.3328 13.3328 k = 0.1744 0.5000 0.1886 ( 4960 PWs) bands (ev): -51.4704 -51.4704 -51.4704 -51.4704 -25.8057 -25.8057 -25.8051 -25.8051 -18.1459 -18.1459 -18.1452 -18.1452 -18.0748 -18.0748 -18.0727 -18.0727 -0.4153 -0.4153 -0.4147 -0.4147 2.1155 2.1155 2.1507 2.1507 5.2492 5.2492 5.3098 5.3098 7.1815 7.1815 7.3809 7.3809 8.1745 8.1745 8.4096 8.4096 8.4460 8.4460 8.5950 8.5950 9.3315 9.3315 9.3863 9.3863 11.2324 11.2324 11.3144 11.3144 13.2723 13.2723 13.3676 13.3676 k = 0.1860 0.5000 0.1886 ( 4952 PWs) bands (ev): -51.4703 -51.4703 -51.4703 -51.4703 -25.8061 -25.8061 -25.8055 -25.8055 -18.1452 -18.1452 -18.1444 -18.1444 -18.0775 -18.0775 -18.0754 -18.0754 -0.3976 -0.3976 -0.3969 -0.3969 2.1560 2.1560 2.1931 2.1931 5.2791 5.2791 5.3405 5.3405 7.1487 7.1487 7.3503 7.3503 8.1222 8.1222 8.3175 8.3175 8.3452 8.3452 8.4798 8.4798 9.2874 9.2874 9.3381 9.3381 11.2743 11.2743 11.3593 11.3593 13.3014 13.3014 13.4013 13.4013 k = 0.1977 0.5000 0.1886 ( 4952 PWs) bands (ev): -51.4702 -51.4702 -51.4702 -51.4702 -25.8065 -25.8065 -25.8060 -25.8060 -18.1445 -18.1445 -18.1437 -18.1437 -18.0804 -18.0804 -18.0782 -18.0782 -0.3791 -0.3791 -0.3784 -0.3784 2.1989 2.1989 2.2379 2.2379 5.3097 5.3097 5.3710 5.3710 7.1133 7.1133 7.3123 7.3123 8.0715 8.0715 8.1934 8.1934 8.2493 8.2493 8.3985 8.3985 9.2431 9.2431 9.2910 9.2910 11.3163 11.3163 11.4048 11.4048 13.3285 13.3285 13.4311 13.4311 k = 0.2093 0.5000 0.1886 ( 4952 PWs) bands (ev): -51.4701 -51.4701 -51.4701 -51.4701 -25.8070 -25.8070 -25.8064 -25.8064 -18.1438 -18.1438 -18.1429 -18.1429 -18.0834 -18.0834 -18.0811 -18.0811 -0.3600 -0.3600 -0.3591 -0.3591 2.2442 2.2442 2.2851 2.2851 5.3407 5.3407 5.4012 5.4012 7.0755 7.0755 7.2668 7.2668 8.0018 8.0018 8.0954 8.0954 8.1259 8.1259 8.3482 8.3482 9.1989 9.1989 9.2451 9.2451 11.3583 11.3583 11.4507 11.4507 13.3511 13.3511 13.4539 13.4539 k = 0.2209 0.5000 0.1886 ( 4956 PWs) bands (ev): -51.4700 -51.4700 -51.4700 -51.4700 -25.8075 -25.8075 -25.8069 -25.8069 -18.1431 -18.1431 -18.1422 -18.1422 -18.0864 -18.0864 -18.0841 -18.0841 -0.3402 -0.3402 -0.3393 -0.3393 2.2920 2.2920 2.3345 2.3345 5.3719 5.3719 5.4304 5.4304 7.0356 7.0356 7.2142 7.2142 7.8899 7.8899 7.9926 7.9926 8.0478 8.0478 8.3121 8.3121 9.1550 9.1550 9.2005 9.2005 11.3999 11.3999 11.4968 11.4968 13.3668 13.3668 13.4664 13.4664 k = 0.2326 0.5000 0.1886 ( 4956 PWs) bands (ev): -51.4699 -51.4699 -51.4699 -51.4699 -25.8080 -25.8080 -25.8074 -25.8074 -18.1424 -18.1424 -18.1414 -18.1414 -18.0894 -18.0894 -18.0870 -18.0870 -0.3199 -0.3199 -0.3189 -0.3189 2.3421 2.3421 2.3863 2.3863 5.4028 5.4028 5.4582 5.4582 6.9940 6.9940 7.1552 7.1552 7.7630 7.7630 7.8565 7.8565 8.0236 8.0236 8.2836 8.2836 9.1119 9.1119 9.1573 9.1573 11.4405 11.4405 11.5424 11.5424 13.3740 13.3740 13.4663 13.4663 k = 0.2442 0.5000 0.1886 ( 4948 PWs) bands (ev): -51.4698 -51.4698 -51.4698 -51.4698 -25.8084 -25.8084 -25.8078 -25.8078 -18.1416 -18.1416 -18.1406 -18.1406 -18.0924 -18.0924 -18.0900 -18.0900 -0.2992 -0.2992 -0.2981 -0.2981 2.3945 2.3945 2.4402 2.4402 5.4330 5.4330 5.4842 5.4842 6.9511 6.9511 7.0908 7.0908 7.6340 7.6340 7.7201 7.7201 8.0098 8.0098 8.2609 8.2609 9.0699 9.0699 9.1157 9.1157 11.4794 11.4794 11.5869 11.5869 13.3724 13.3724 13.4536 13.4536 k = 0.2558 0.5000 0.1886 ( 4952 PWs) bands (ev): -51.4697 -51.4697 -51.4697 -51.4697 -25.8089 -25.8089 -25.8083 -25.8083 -18.1409 -18.1409 -18.1399 -18.1399 -18.0955 -18.0955 -18.0930 -18.0930 -0.2781 -0.2781 -0.2770 -0.2770 2.4491 2.4491 2.4962 2.4962 5.4622 5.4622 5.5078 5.5078 6.9074 6.9074 7.0220 7.0220 7.5065 7.5065 7.5846 7.5846 8.0032 8.0032 8.2430 8.2430 9.0295 9.0295 9.0760 9.0760 11.5155 11.5155 11.6292 11.6292 13.3636 13.3636 13.4305 13.4305 k = 0.2674 0.5000 0.1886 ( 4968 PWs) bands (ev): -51.4696 -51.4696 -51.4696 -51.4696 -25.8095 -25.8095 -25.8089 -25.8089 -18.1403 -18.1403 -18.1392 -18.1392 -18.0985 -18.0985 -18.0960 -18.0960 -0.2569 -0.2569 -0.2557 -0.2557 2.5059 2.5059 2.5542 2.5542 5.4896 5.4896 5.5284 5.5284 6.8633 6.8633 6.9493 6.9493 7.3823 7.3823 7.4512 7.4512 8.0020 8.0020 8.2295 8.2295 8.9908 8.9908 9.0384 9.0384 11.5476 11.5476 11.6681 11.6681 13.3502 13.3502 13.4008 13.4008 k = 0.2791 0.5000 0.1886 ( 4964 PWs) bands (ev): -51.4695 -51.4695 -51.4695 -51.4695 -25.8099 -25.8099 -25.8093 -25.8093 -18.1396 -18.1396 -18.1385 -18.1385 -18.1014 -18.1014 -18.0989 -18.0989 -0.2355 -0.2355 -0.2342 -0.2342 2.5647 2.5647 2.6141 2.6141 5.5149 5.5149 5.5456 5.5456 6.8189 6.8189 6.8730 6.8730 7.2631 7.2631 7.3207 7.3207 8.0053 8.0053 8.2200 8.2200 8.9545 8.9545 9.0031 9.0031 11.5744 11.5744 11.7020 11.7020 13.3356 13.3356 13.3689 13.3689 k = 0.2907 0.5000 0.1886 ( 4960 PWs) bands (ev): -51.4694 -51.4694 -51.4694 -51.4694 -25.8104 -25.8104 -25.8098 -25.8098 -18.1390 -18.1390 -18.1378 -18.1378 -18.1042 -18.1042 -18.1017 -18.1017 -0.2141 -0.2141 -0.2128 -0.2128 2.6254 2.6254 2.6759 2.6759 5.5374 5.5374 5.5586 5.5586 6.7739 6.7739 6.7930 6.7930 7.1510 7.1510 7.1948 7.1948 8.0120 8.0120 8.2140 8.2140 8.9207 8.9207 8.9703 8.9703 11.5945 11.5945 11.7291 11.7291 13.3234 13.3234 13.3394 13.3394 k = 0.3023 0.5000 0.1886 ( 4964 PWs) bands (ev): -51.4693 -51.4693 -51.4693 -51.4693 -25.8108 -25.8108 -25.8103 -25.8103 -18.1384 -18.1384 -18.1373 -18.1373 -18.1070 -18.1070 -18.1044 -18.1044 -0.1928 -0.1928 -0.1915 -0.1915 2.6880 2.6880 2.7394 2.7394 5.5564 5.5564 5.5671 5.5671 6.7086 6.7086 6.7271 6.7271 7.0481 7.0481 7.0755 7.0755 8.0216 8.0216 8.2110 8.2110 8.8901 8.8901 8.9404 8.9404 11.6064 11.6064 11.7475 11.7475 13.3161 13.3161 13.3167 13.3167 k = 0.3140 0.5000 0.1886 ( 4960 PWs) bands (ev): -51.4692 -51.4692 -51.4692 -51.4692 -25.8113 -25.8113 -25.8107 -25.8107 -18.1379 -18.1379 -18.1367 -18.1367 -18.1096 -18.1096 -18.1070 -18.1070 -0.1718 -0.1718 -0.1704 -0.1704 2.7523 2.7523 2.8044 2.8044 5.5707 5.5707 5.5711 5.5711 6.6197 6.6197 6.6758 6.6758 6.9562 6.9562 6.9667 6.9667 8.0333 8.0333 8.2104 8.2104 8.8629 8.8629 8.9136 8.9136 11.6092 11.6092 11.7554 11.7554 13.3028 13.3028 13.3182 13.3182 k = 0.3256 0.5000 0.1886 ( 4964 PWs) bands (ev): -51.4691 -51.4691 -51.4691 -51.4691 -25.8117 -25.8117 -25.8112 -25.8112 -18.1375 -18.1375 -18.1363 -18.1363 -18.1120 -18.1120 -18.1095 -18.1095 -0.1511 -0.1511 -0.1497 -0.1497 2.8182 2.8182 2.8708 2.8708 5.5690 5.5690 5.5808 5.5808 6.5268 6.5268 6.6152 6.6152 6.8739 6.8739 6.8765 6.8765 8.0466 8.0466 8.2117 8.2117 8.8396 8.8396 8.8902 8.8902 11.6022 11.6022 11.7517 11.7517 13.3021 13.3021 13.3300 13.3300 k = 0.3372 0.5000 0.1886 ( 4972 PWs) bands (ev): -51.4691 -51.4691 -51.4691 -51.4691 -25.8122 -25.8122 -25.8116 -25.8116 -18.1372 -18.1372 -18.1360 -18.1360 -18.1144 -18.1144 -18.1119 -18.1119 -0.1310 -0.1310 -0.1295 -0.1295 2.8854 2.8854 2.9383 2.9383 5.5619 5.5619 5.5846 5.5846 6.4312 6.4312 6.5412 6.5412 6.8020 6.8020 6.8087 6.8087 8.0608 8.0608 8.2143 8.2143 8.8206 8.8206 8.8705 8.8705 11.5853 11.5853 11.7357 11.7357 13.3156 13.3156 13.3534 13.3534 k = 0.3488 0.5000 0.1886 ( 4968 PWs) bands (ev): -51.4690 -51.4690 -51.4690 -51.4690 -25.8125 -25.8125 -25.8120 -25.8120 -18.1370 -18.1370 -18.1357 -18.1357 -18.1164 -18.1164 -18.1140 -18.1140 -0.1114 -0.1114 -0.1100 -0.1100 2.9537 2.9537 3.0067 3.0067 5.5491 5.5491 5.5815 5.5815 6.3355 6.3355 6.4549 6.4549 6.7507 6.7507 6.7523 6.7523 8.0755 8.0755 8.2174 8.2174 8.8063 8.8063 8.8547 8.8547 11.5593 11.5593 11.7080 11.7080 13.3440 13.3440 13.3888 13.3888 k = 0.3605 0.5000 0.1886 ( 4972 PWs) bands (ev): -51.4689 -51.4689 -51.4689 -51.4689 -25.8129 -25.8129 -25.8124 -25.8124 -18.1369 -18.1369 -18.1357 -18.1357 -18.1182 -18.1182 -18.1159 -18.1159 -0.0926 -0.0926 -0.0912 -0.0912 3.0229 3.0229 3.0757 3.0757 5.5307 5.5307 5.5708 5.5708 6.2423 6.2423 6.3623 6.3623 6.7060 6.7060 6.7144 6.7144 8.0902 8.0902 8.2205 8.2205 8.7970 8.7970 8.8429 8.8429 11.5253 11.5253 11.6699 11.6699 13.3869 13.3869 13.4358 13.4358 k = 0.3721 0.5000 0.1886 ( 4976 PWs) bands (ev): -51.4688 -51.4688 -51.4688 -51.4688 -25.8133 -25.8133 -25.8128 -25.8128 -18.1369 -18.1369 -18.1358 -18.1358 -18.1197 -18.1197 -18.1176 -18.1176 -0.0747 -0.0747 -0.0733 -0.0733 3.0926 3.0926 3.1449 3.1449 5.5067 5.5067 5.5514 5.5514 6.1541 6.1541 6.2694 6.2694 6.6687 6.6687 6.6880 6.6880 8.1044 8.1044 8.2230 8.2230 8.7927 8.7927 8.8352 8.8352 11.4849 11.4849 11.6234 11.6234 13.4431 13.4431 13.4937 13.4937 k = 0.3837 0.5000 0.1886 ( 4968 PWs) bands (ev): -51.4688 -51.4688 -51.4688 -51.4688 -25.8135 -25.8135 -25.8131 -25.8131 -18.1371 -18.1371 -18.1361 -18.1361 -18.1209 -18.1209 -18.1189 -18.1189 -0.0578 -0.0578 -0.0565 -0.0565 3.1624 3.1624 3.2137 3.2137 5.4772 5.4772 5.5228 5.5228 6.0734 6.0734 6.1801 6.1801 6.6394 6.6394 6.6682 6.6682 8.1178 8.1178 8.2245 8.2245 8.7934 8.7934 8.8317 8.8317 11.4401 11.4401 11.5706 11.5706 13.5112 13.5112 13.5612 13.5612 k = 0.3953 0.5000 0.1886 ( 4972 PWs) bands (ev): -51.4687 -51.4687 -51.4687 -51.4687 -25.8139 -25.8139 -25.8135 -25.8135 -18.1374 -18.1374 -18.1365 -18.1365 -18.1218 -18.1218 -18.1201 -18.1201 -0.0421 -0.0421 -0.0408 -0.0408 3.2317 3.2317 3.2817 3.2817 5.4423 5.4423 5.4850 5.4850 6.0021 6.0021 6.0972 6.0972 6.6171 6.6171 6.6528 6.6528 8.1300 8.1300 8.2247 8.2247 8.7985 8.7985 8.8320 8.8320 11.3928 11.3928 11.5140 11.5140 13.5893 13.5893 13.6371 13.6371 k = 0.4070 0.5000 0.1886 ( 4968 PWs) bands (ev): -51.4686 -51.4686 -51.4686 -51.4686 -25.8141 -25.8141 -25.8138 -25.8138 -18.1379 -18.1379 -18.1371 -18.1371 -18.1225 -18.1225 -18.1210 -18.1210 -0.0276 -0.0276 -0.0264 -0.0264 3.2999 3.2999 3.3480 3.3480 5.4026 5.4026 5.4389 5.4389 5.9412 5.9412 6.0225 6.0225 6.6009 6.6009 6.6405 6.6405 8.1408 8.1408 8.2237 8.2237 8.8074 8.8074 8.8358 8.8358 11.3449 11.3449 11.4556 11.4556 13.6761 13.6761 13.7197 13.7197 k = 0.4186 0.5000 0.1886 ( 4972 PWs) bands (ev): -51.4686 -51.4686 -51.4686 -51.4686 -25.8144 -25.8144 -25.8141 -25.8141 -18.1384 -18.1384 -18.1378 -18.1378 -18.1229 -18.1229 -18.1216 -18.1216 -0.0145 -0.0145 -0.0134 -0.0134 3.3662 3.3662 3.4117 3.4117 5.3588 5.3588 5.3866 5.3866 5.8907 5.8907 5.9572 5.9572 6.5896 6.5896 6.6305 6.6305 8.1503 8.1503 8.2215 8.2215 8.8192 8.8192 8.8425 8.8425 11.2984 11.2984 11.3977 11.3977 13.7698 13.7698 13.8076 13.8076 k = 0.4302 0.5000 0.1886 ( 4976 PWs) bands (ev): -51.4685 -51.4685 -51.4685 -51.4685 -25.8146 -25.8146 -25.8143 -25.8143 -18.1390 -18.1390 -18.1386 -18.1386 -18.1232 -18.1232 -18.1221 -18.1221 -0.0029 -0.0029 -0.0019 -0.0019 3.4295 3.4295 3.4715 3.4715 5.3124 5.3124 5.3312 5.3312 5.8498 5.8498 5.9017 5.9017 6.5825 6.5825 6.6221 6.6221 8.1584 8.1584 8.2183 8.2183 8.8328 8.8328 8.8511 8.8511 11.2551 11.2551 11.3420 11.3420 13.8690 13.8690 13.8991 13.8991 k = 0.4419 0.5000 0.1886 ( 4968 PWs) bands (ev): -51.4685 -51.4685 -51.4685 -51.4685 -25.8147 -25.8147 -25.8145 -25.8145 -18.1395 -18.1395 -18.1392 -18.1392 -18.1233 -18.1233 -18.1225 -18.1225 0.0071 0.0071 0.0079 0.0079 3.4885 3.4885 3.5262 3.5262 5.2655 5.2655 5.2762 5.2762 5.8173 5.8173 5.8562 5.8562 6.5787 6.5787 6.6149 6.6149 8.1655 8.1655 8.2144 8.2144 8.8470 8.8470 8.8609 8.8609 11.2165 11.2165 11.2904 11.2904 13.9722 13.9722 13.9924 13.9924 k = 0.4535 0.5000 0.1886 ( 4964 PWs) bands (ev): -51.4685 -51.4685 -51.4685 -51.4685 -25.8148 -25.8148 -25.8146 -25.8146 -18.1400 -18.1400 -18.1398 -18.1398 -18.1233 -18.1233 -18.1227 -18.1227 0.0154 0.0154 0.0161 0.0161 3.5416 3.5416 3.5739 3.5739 5.2208 5.2208 5.2253 5.2253 5.7921 5.7921 5.8200 5.8200 6.5774 6.5774 6.6084 6.6084 8.1716 8.1716 8.2100 8.2100 8.8607 8.8607 8.8707 8.8707 11.1842 11.1842 11.2443 11.2443 14.0776 14.0776 14.0854 14.0854 k = 0.4651 0.5000 0.1886 ( 4960 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8147 -25.8147 -18.1404 -18.1404 -18.1403 -18.1403 -18.1233 -18.1233 -18.1229 -18.1229 0.0220 0.0220 0.0225 0.0225 3.5871 3.5871 3.6128 3.6128 5.1812 5.1812 5.1819 5.1819 5.7735 5.7735 5.7924 5.7924 6.5781 6.5781 6.6025 6.6025 8.1770 8.1770 8.2054 8.2054 8.8728 8.8728 8.8796 8.8796 11.1594 11.1594 11.2051 11.2051 14.1756 14.1756 14.1829 14.1829 k = 0.4767 0.5000 0.1886 ( 4956 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8148 -25.8148 -18.1407 -18.1407 -18.1406 -18.1406 -18.1233 -18.1233 -18.1230 -18.1230 0.0268 0.0268 0.0271 0.0271 3.6230 3.6230 3.6409 3.6409 5.1488 5.1488 5.1498 5.1498 5.7611 5.7611 5.7727 5.7727 6.5802 6.5802 6.5971 6.5971 8.1820 8.1820 8.2006 8.2006 8.8823 8.8823 8.8865 8.8865 11.1431 11.1431 11.1739 11.1739 14.2599 14.2599 14.2837 14.2837 k = 0.4884 0.5000 0.1886 ( 4952 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1408 -18.1408 -18.1232 -18.1232 -18.1231 -18.1231 0.0297 0.0297 0.0299 0.0299 3.6474 3.6474 3.6567 3.6567 5.1283 5.1283 5.1293 5.1293 5.7547 5.7547 5.7602 5.7602 6.5835 6.5835 6.5921 6.5921 8.1867 8.1867 8.1960 8.1960 8.8887 8.8887 8.8906 8.8906 11.1362 11.1362 11.1517 11.1517 14.3345 14.3345 14.3701 14.3701 k = 0.5000 0.5000 0.1886 ( 4952 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1409 -18.1409 -18.1232 -18.1232 -18.1232 -18.1232 0.0307 0.0307 0.0307 0.0307 3.6589 3.6589 3.6589 3.6589 5.1217 5.1217 5.1217 5.1217 5.7543 5.7543 5.7543 5.7543 6.5875 6.5875 6.5875 6.5875 8.1913 8.1913 8.1913 8.1913 8.8915 8.8915 8.8915 8.8915 11.1390 11.1390 11.1390 11.1390 14.3915 14.3915 14.3915 14.3915 k = 0.5000 0.5000 0.1886 ( 4952 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1409 -18.1409 -18.1232 -18.1232 -18.1232 -18.1232 0.0307 0.0307 0.0307 0.0307 3.6589 3.6589 3.6589 3.6589 5.1217 5.1217 5.1217 5.1217 5.7543 5.7543 5.7543 5.7543 6.5875 6.5875 6.5875 6.5875 8.1913 8.1913 8.1913 8.1913 8.8915 8.8915 8.8915 8.8915 11.1390 11.1390 11.1390 11.1390 14.3915 14.3915 14.3915 14.3915 k = 0.4918 0.4918 0.1886 ( 4952 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1408 -18.1408 -18.1232 -18.1232 -18.1231 -18.1231 0.0293 0.0293 0.0303 0.0303 3.6428 3.6428 3.6614 3.6614 5.1194 5.1194 5.1381 5.1381 5.7541 5.7541 5.7607 5.7607 6.5834 6.5834 6.5921 6.5921 8.1865 8.1865 8.1961 8.1961 8.8872 8.8872 8.8921 8.8921 11.1362 11.1362 11.1517 11.1517 14.3319 14.3319 14.3903 14.3903 k = 0.4836 0.4836 0.1886 ( 4958 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8148 -25.8148 -18.1407 -18.1407 -18.1406 -18.1406 -18.1233 -18.1233 -18.1230 -18.1230 0.0251 0.0251 0.0288 0.0288 3.6002 3.6002 3.6654 3.6654 5.1126 5.1126 5.1850 5.1850 5.7573 5.7573 5.7757 5.7757 6.5796 6.5796 6.5977 6.5977 8.1808 8.1808 8.2017 8.2017 8.8756 8.8756 8.8934 8.8934 11.1429 11.1429 11.1739 11.1739 14.2569 14.2569 14.3377 14.3377 k = 0.4754 0.4754 0.1886 ( 4956 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8147 -25.8147 -18.1404 -18.1404 -18.1402 -18.1402 -18.1233 -18.1233 -18.1229 -18.1229 0.0182 0.0182 0.0263 0.0263 3.5345 3.5345 3.6719 3.6719 5.1023 5.1023 5.2579 5.2579 5.7632 5.7632 5.7994 5.7994 6.5758 6.5758 6.6046 6.6046 8.1728 8.1728 8.2087 8.2087 8.8574 8.8574 8.8956 8.8956 11.1586 11.1586 11.2053 11.2053 14.1797 14.1797 14.2684 14.2684 k = 0.4672 0.4672 0.1886 ( 4956 PWs) bands (ev): -51.4685 -51.4685 -51.4685 -51.4685 -25.8148 -25.8148 -25.8146 -25.8146 -18.1399 -18.1399 -18.1397 -18.1397 -18.1233 -18.1233 -18.1228 -18.1228 0.0084 0.0084 0.0229 0.0229 3.4514 3.4514 3.6810 3.6810 5.0897 5.0897 5.3507 5.3507 5.7718 5.7718 5.8307 5.8307 6.5720 6.5720 6.6130 6.6130 8.1615 8.1615 8.2175 8.2175 8.8344 8.8344 8.8987 8.8987 11.1829 11.1829 11.2448 11.2448 14.1043 14.1043 14.1915 14.1915 k = 0.4590 0.4590 0.1886 ( 4956 PWs) bands (ev): -51.4685 -51.4685 -51.4685 -51.4685 -25.8146 -25.8146 -25.8144 -25.8144 -18.1393 -18.1393 -18.1391 -18.1391 -18.1233 -18.1233 -18.1226 -18.1226 -0.0041 -0.0041 0.0184 0.0184 3.3557 3.3557 3.6927 3.6927 5.0759 5.0759 5.4578 5.4578 5.7832 5.7832 5.8686 5.8686 6.5685 6.5685 6.6231 6.6231 8.1454 8.1454 8.2283 8.2283 8.8090 8.8090 8.9027 8.9027 11.2147 11.2147 11.2912 11.2912 14.0333 14.0333 14.1106 14.1106 k = 0.4508 0.4508 0.1886 ( 4962 PWs) bands (ev): -51.4685 -51.4685 -51.4685 -51.4685 -25.8145 -25.8145 -25.8142 -25.8142 -18.1385 -18.1385 -18.1383 -18.1383 -18.1233 -18.1233 -18.1225 -18.1225 -0.0193 -0.0193 0.0128 0.0128 3.2513 3.2513 3.7070 3.7070 5.0621 5.0621 5.5737 5.5737 5.7987 5.7987 5.9122 5.9122 6.5656 6.5656 6.6352 6.6352 8.1231 8.1231 8.2411 8.2411 8.7836 8.7836 8.9075 8.9075 11.2534 11.2534 11.3431 11.3431 13.9677 13.9677 14.0290 14.0290 k = 0.4426 0.4426 0.1886 ( 4970 PWs) bands (ev): -51.4686 -51.4686 -51.4686 -51.4686 -25.8143 -25.8143 -25.8140 -25.8140 -18.1377 -18.1377 -18.1374 -18.1374 -18.1233 -18.1233 -18.1223 -18.1223 -0.0373 -0.0373 0.0061 0.0061 3.1413 3.1413 3.7239 3.7239 5.0494 5.0494 5.6897 5.6897 5.8226 5.8226 5.9611 5.9611 6.5639 6.5639 6.6492 6.6492 8.0932 8.0932 8.2559 8.2559 8.7606 8.7606 8.9133 8.9133 11.2977 11.2977 11.3990 11.3990 13.9044 13.9044 13.9534 13.9534 k = 0.4344 0.4344 0.1886 ( 4974 PWs) bands (ev): -51.4686 -51.4686 -51.4686 -51.4686 -25.8141 -25.8141 -25.8138 -25.8138 -18.1366 -18.1366 -18.1363 -18.1363 -18.1233 -18.1233 -18.1221 -18.1221 -0.0580 -0.0580 -0.0017 -0.0017 3.0276 3.0276 3.7433 3.7433 5.0385 5.0385 5.7790 5.7790 5.8769 5.8769 6.0165 6.0165 6.5647 6.5647 6.6652 6.6652 8.0546 8.0546 8.2726 8.2726 8.7420 8.7420 8.9199 8.9199 11.3462 11.3462 11.4579 11.4579 13.8339 13.8339 13.8968 13.8968 k = 0.4262 0.4262 0.1886 ( 4962 PWs) bands (ev): -51.4687 -51.4687 -51.4687 -51.4687 -25.8138 -25.8138 -25.8134 -25.8134 -18.1354 -18.1354 -18.1350 -18.1350 -18.1232 -18.1232 -18.1219 -18.1219 -0.0813 -0.0813 -0.0108 -0.0108 2.9118 2.9118 3.7654 3.7654 5.0301 5.0301 5.8202 5.8202 5.9737 5.9737 6.0836 6.0836 6.5698 6.5698 6.6834 6.6834 8.0070 8.0070 8.2913 8.2913 8.7292 8.7292 8.9274 8.9274 11.3974 11.3974 11.5186 11.5186 13.7563 13.7563 13.8614 13.8614 k = 0.4180 0.4180 0.1886 ( 4966 PWs) bands (ev): -51.4688 -51.4688 -51.4688 -51.4688 -25.8135 -25.8135 -25.8131 -25.8131 -18.1342 -18.1342 -18.1337 -18.1337 -18.1232 -18.1232 -18.1216 -18.1216 -0.1072 -0.1072 -0.0211 -0.0211 2.7951 2.7951 3.7900 3.7900 5.0248 5.0248 5.8468 5.8468 6.0633 6.0633 6.1731 6.1731 6.5830 6.5830 6.7039 6.7039 7.9507 7.9507 8.3118 8.3118 8.7225 8.7225 8.9358 8.9358 11.4492 11.4492 11.5809 11.5809 13.6788 13.6788 13.8410 13.8410 k = 0.4098 0.4098 0.1886 ( 4966 PWs) bands (ev): -51.4688 -51.4688 -51.4688 -51.4688 -25.8132 -25.8132 -25.8127 -25.8127 -18.1328 -18.1328 -18.1322 -18.1322 -18.1231 -18.1231 -18.1213 -18.1213 -0.1357 -0.1357 -0.0328 -0.0328 2.6781 2.6781 3.8172 3.8172 5.0229 5.0229 5.8716 5.8716 6.1327 6.1327 6.2760 6.2760 6.6121 6.6121 6.7270 6.7270 7.8865 7.8865 8.3341 8.3341 8.7217 8.7217 8.9451 8.9451 11.4994 11.4994 11.6445 11.6445 13.6048 13.6048 13.8284 13.8285 k = 0.4016 0.4016 0.1886 ( 4964 PWs) bands (ev): -51.4689 -51.4689 -51.4689 -51.4689 -25.8128 -25.8128 -25.8123 -25.8123 -18.1312 -18.1312 -18.1305 -18.1305 -18.1230 -18.1230 -18.1210 -18.1210 -0.1666 -0.1666 -0.0459 -0.0459 2.5615 2.5615 3.8469 3.8469 5.0249 5.0249 5.8972 5.8972 6.1932 6.1932 6.3639 6.3639 6.6695 6.6695 6.7544 6.7544 7.8155 7.8155 8.3579 8.3579 8.7261 8.7261 8.9553 8.9553 11.5460 11.5460 11.7094 11.7094 13.5361 13.5361 13.7820 13.7820 k = 0.3934 0.3934 0.1886 ( 4964 PWs) bands (ev): -51.4690 -51.4690 -51.4690 -51.4690 -25.8124 -25.8124 -25.8118 -25.8118 -18.1297 -18.1297 -18.1288 -18.1288 -18.1228 -18.1228 -18.1206 -18.1206 -0.1999 -0.1999 -0.0604 -0.0604 2.4459 2.4459 3.8792 3.8792 5.0309 5.0309 5.9241 5.9241 6.2502 6.2502 6.4213 6.4213 6.7485 6.7485 6.8012 6.8012 7.7391 7.7391 8.3833 8.3833 8.7350 8.7350 8.9663 8.9663 11.5878 11.5878 11.7749 11.7749 13.4740 13.4740 13.7070 13.7070 k = 0.3852 0.3852 0.1886 ( 4958 PWs) bands (ev): -51.4691 -51.4691 -51.4691 -51.4691 -25.8120 -25.8120 -25.8113 -25.8113 -18.1281 -18.1281 -18.1269 -18.1269 -18.1226 -18.1226 -18.1202 -18.1202 -0.2354 -0.2354 -0.0765 -0.0765 2.3315 2.3315 3.9140 3.9140 5.0411 5.0411 5.9525 5.9525 6.3050 6.3050 6.4560 6.4560 6.7941 6.7941 6.9126 6.9126 7.6584 7.6584 8.4101 8.4101 8.7473 8.7473 8.9783 8.9783 11.6246 11.6246 11.8399 11.8399 13.4194 13.4194 13.6300 13.6300 k = 0.3770 0.3770 0.1886 ( 4954 PWs) bands (ev): -51.4692 -51.4692 -51.4692 -51.4692 -25.8115 -25.8115 -25.8108 -25.8108 -18.1265 -18.1265 -18.1248 -18.1248 -18.1223 -18.1223 -18.1196 -18.1196 -0.2732 -0.2732 -0.0942 -0.0942 2.2188 2.2188 3.9513 3.9513 5.0557 5.0557 5.9825 5.9825 6.3572 6.3572 6.4814 6.4814 6.8272 6.8272 7.0543 7.0543 7.5745 7.5745 8.4383 8.4383 8.7624 8.7624 8.9911 8.9911 11.6567 11.6567 11.9024 11.9024 13.3725 13.3725 13.5543 13.5543 k = 0.3689 0.3689 0.1886 ( 4952 PWs) bands (ev): -51.4693 -51.4693 -51.4693 -51.4693 -25.8110 -25.8110 -25.8103 -25.8103 -18.1251 -18.1251 -18.1227 -18.1227 -18.1219 -18.1219 -18.1189 -18.1189 -0.3130 -0.3130 -0.1135 -0.1135 2.1080 2.1080 3.9912 3.9912 5.0747 5.0747 6.0141 6.0141 6.4054 6.4054 6.5060 6.5060 6.8600 6.8600 7.2058 7.2058 7.4884 7.4884 8.4677 8.4677 8.7794 8.7794 9.0048 9.0048 11.6851 11.6851 11.9602 11.9602 13.3313 13.3313 13.4837 13.4837 k = 0.3607 0.3607 0.1886 ( 4950 PWs) bands (ev): -51.4694 -51.4694 -51.4694 -51.4694 -25.8105 -25.8105 -25.8098 -25.8098 -18.1241 -18.1241 -18.1213 -18.1213 -18.1205 -18.1205 -18.1178 -18.1178 -0.3548 -0.3548 -0.1346 -0.1346 1.9993 1.9993 4.0336 4.0336 5.0983 5.0983 6.0472 6.0472 6.4475 6.4475 6.5356 6.5356 6.8938 6.8938 7.3619 7.3619 7.4012 7.4012 8.4984 8.4984 8.7980 8.7980 9.0194 9.0194 11.7111 11.7111 12.0111 12.0111 13.2887 13.2887 13.4260 13.4260 k = 0.3525 0.3525 0.1886 ( 4942 PWs) bands (ev): -51.4695 -51.4695 -51.4695 -51.4695 -25.8099 -25.8099 -25.8092 -25.8092 -18.1234 -18.1234 -18.1206 -18.1206 -18.1181 -18.1181 -18.1162 -18.1162 -0.3984 -0.3984 -0.1575 -0.1575 1.8929 1.8929 4.0784 4.0784 5.1263 5.1263 6.0818 6.0818 6.4821 6.4821 6.5730 6.5730 6.9282 6.9282 7.3138 7.3138 7.5203 7.5203 8.5306 8.5306 8.8176 8.8176 9.0348 9.0348 11.7358 11.7358 12.0532 12.0532 13.2340 13.2340 13.3911 13.3911 k = 0.3443 0.3443 0.1886 ( 4942 PWs) bands (ev): -51.4696 -51.4696 -51.4696 -51.4696 -25.8094 -25.8094 -25.8086 -25.8086 -18.1230 -18.1230 -18.1200 -18.1200 -18.1157 -18.1157 -18.1144 -18.1144 -0.4436 -0.4436 -0.1822 -0.1822 1.7890 1.7890 4.1257 4.1257 5.1588 5.1588 6.1178 6.1178 6.5116 6.5116 6.6166 6.6166 6.9619 6.9619 7.2287 7.2287 7.6787 7.6787 8.5646 8.5646 8.8378 8.8378 9.0510 9.0510 11.7603 11.7603 12.0857 12.0857 13.1657 13.1657 13.3766 13.3766 k = 0.3361 0.3361 0.1886 ( 4954 PWs) bands (ev): -51.4697 -51.4697 -51.4697 -51.4697 -25.8089 -25.8089 -25.8080 -25.8080 -18.1227 -18.1227 -18.1195 -18.1195 -18.1132 -18.1132 -18.1122 -18.1122 -0.4903 -0.4903 -0.2088 -0.2088 1.6879 1.6879 4.1755 4.1755 5.1957 5.1957 6.1550 6.1550 6.5396 6.5396 6.6632 6.6632 6.9889 6.9889 7.1524 7.1524 7.8354 7.8354 8.6010 8.6010 8.8585 8.8585 9.0680 9.0680 11.7856 11.7856 12.1085 12.1085 13.0896 13.0896 13.3697 13.3697 k = 0.3279 0.3279 0.1886 ( 4958 PWs) bands (ev): -51.4699 -51.4699 -51.4698 -51.4698 -25.8083 -25.8083 -25.8074 -25.8074 -18.1224 -18.1224 -18.1190 -18.1190 -18.1106 -18.1106 -18.1098 -18.1098 -0.5384 -0.5384 -0.2374 -0.2374 1.5895 1.5895 4.2277 4.2277 5.2369 5.2369 6.1933 6.1933 6.5683 6.5683 6.7101 6.7101 6.9839 6.9839 7.1114 7.1114 7.9883 7.9883 8.6412 8.6412 8.8794 8.8794 9.0857 9.0857 11.8123 11.8123 12.1227 12.1227 13.0098 13.0098 13.3584 13.3584 k = 0.3197 0.3197 0.1886 ( 4956 PWs) bands (ev): -51.4700 -51.4700 -51.4699 -51.4699 -25.8077 -25.8077 -25.8068 -25.8068 -18.1222 -18.1222 -18.1184 -18.1184 -18.1079 -18.1079 -18.1072 -18.1072 -0.5877 -0.5877 -0.2678 -0.2678 1.4941 1.4941 4.2824 4.2824 5.2822 5.2822 6.2325 6.2325 6.5990 6.5990 6.7540 6.7540 6.9294 6.9294 7.1260 7.1260 8.1340 8.1340 8.6877 8.6877 8.9005 8.9005 9.1043 9.1043 11.8408 11.8408 12.1300 12.1300 12.9278 12.9278 13.3381 13.3381 k = 0.3115 0.3115 0.1886 ( 4956 PWs) bands (ev): -51.4701 -51.4701 -51.4701 -51.4701 -25.8071 -25.8071 -25.8061 -25.8061 -18.1220 -18.1220 -18.1180 -18.1180 -18.1051 -18.1051 -18.1046 -18.1046 -0.6380 -0.6380 -0.3002 -0.3002 1.4017 1.4017 4.3395 4.3395 5.3314 5.3314 6.2722 6.2722 6.6317 6.6317 6.7796 6.7796 6.8754 6.8754 7.1623 7.1623 8.2674 8.2674 8.7449 8.7449 8.9219 8.9219 9.1238 9.1238 11.8710 11.8710 12.1324 12.1324 12.8445 12.8445 13.3114 13.3115 k = 0.3033 0.3033 0.1886 ( 4948 PWs) bands (ev): -51.4702 -51.4702 -51.4702 -51.4702 -25.8064 -25.8064 -25.8054 -25.8054 -18.1217 -18.1217 -18.1175 -18.1175 -18.1022 -18.1022 -18.1018 -18.1018 -0.6892 -0.6892 -0.3345 -0.3345 1.3125 1.3125 4.3989 4.3989 5.3843 5.3843 6.3114 6.3114 6.6645 6.6645 6.7432 6.7432 6.8840 6.8840 7.2048 7.2048 8.3816 8.3816 8.8181 8.8181 8.9438 8.9438 9.1445 9.1445 11.9023 11.9023 12.1323 12.1323 12.7602 12.7602 13.2825 13.2825 k = 0.2951 0.2951 0.1886 ( 4952 PWs) bands (ev): -51.4704 -51.4704 -51.4703 -51.4703 -25.8057 -25.8057 -25.8047 -25.8047 -18.1215 -18.1215 -18.1170 -18.1170 -18.0993 -18.0993 -18.0989 -18.0989 -0.7411 -0.7411 -0.3707 -0.3707 1.2266 1.2266 4.4608 4.4608 5.4406 5.4406 6.3482 6.3482 6.6580 6.6580 6.7205 6.7205 6.9247 6.9247 7.2502 7.2502 8.4712 8.4712 8.9097 8.9097 8.9680 8.9680 9.1673 9.1673 11.9334 11.9334 12.1321 12.1321 12.6750 12.6750 13.2544 13.2544 k = 0.2869 0.2869 0.1886 ( 4964 PWs) bands (ev): -51.4705 -51.4705 -51.4705 -51.4705 -25.8051 -25.8051 -25.8041 -25.8041 -18.1213 -18.1213 -18.1165 -18.1165 -18.0964 -18.0964 -18.0960 -18.0960 -0.7936 -0.7936 -0.4087 -0.4087 1.1439 1.1439 4.5249 4.5249 5.4997 5.4997 6.3762 6.3762 6.6012 6.6012 6.7571 6.7571 6.9706 6.9706 7.2974 7.2974 8.5368 8.5368 8.9801 8.9801 9.0294 9.0294 9.1959 9.1959 11.9618 11.9618 12.1349 12.1349 12.5891 12.5891 13.2293 13.2293 k = 0.2787 0.2787 0.1886 ( 4956 PWs) bands (ev): -51.4706 -51.4706 -51.4706 -51.4706 -25.8044 -25.8044 -25.8033 -25.8033 -18.1210 -18.1210 -18.1160 -18.1160 -18.0933 -18.0933 -18.0930 -18.0930 -0.8464 -0.8464 -0.4486 -0.4486 1.0646 1.0646 4.5915 4.5915 5.5609 5.5609 6.3796 6.3796 6.5666 6.5666 6.8015 6.8015 7.0177 7.0177 7.3460 7.3460 8.5839 8.5839 9.0061 9.0061 9.1287 9.1287 9.2466 9.2466 11.9835 11.9835 12.1444 12.1444 12.5029 12.5029 13.2085 13.2085 k = 0.2705 0.2705 0.1886 ( 4958 PWs) bands (ev): -51.4708 -51.4708 -51.4707 -51.4707 -25.8037 -25.8037 -25.8026 -25.8026 -18.1207 -18.1207 -18.1155 -18.1155 -18.0902 -18.0902 -18.0899 -18.0899 -0.8994 -0.8994 -0.4900 -0.4900 0.9887 0.9887 4.6603 4.6603 5.6231 5.6231 6.3452 6.3452 6.5736 6.5736 6.8495 6.8495 7.0649 7.0649 7.3956 7.3956 8.6187 8.6187 9.0299 9.0299 9.1864 9.1864 9.3504 9.3504 11.9950 11.9950 12.1626 12.1626 12.4176 12.4176 13.1919 13.1919 k = 0.2623 0.2623 0.1886 ( 4952 PWs) bands (ev): -51.4709 -51.4709 -51.4709 -51.4709 -25.8030 -25.8030 -25.8019 -25.8019 -18.1204 -18.1204 -18.1150 -18.1150 -18.0871 -18.0871 -18.0868 -18.0868 -0.9526 -0.9526 -0.5331 -0.5331 0.9161 0.9161 4.7314 4.7314 5.6841 5.6841 6.2910 6.2910 6.6074 6.6074 6.9002 6.9002 7.1121 7.1121 7.4462 7.4462 8.6449 8.6449 9.0541 9.0541 9.2173 9.2173 9.4856 9.4856 11.9963 11.9963 12.1841 12.1841 12.3381 12.3381 13.1768 13.1768 k = 0.2541 0.2541 0.1886 ( 4958 PWs) bands (ev): -51.4711 -51.4711 -51.4710 -51.4710 -25.8023 -25.8023 -25.8012 -25.8012 -18.1202 -18.1202 -18.1145 -18.1145 -18.0840 -18.0840 -18.0837 -18.0837 -1.0056 -1.0056 -0.5775 -0.5775 0.8468 0.8468 4.8047 4.8047 5.7401 5.7401 6.2368 6.2368 6.6523 6.6523 6.9533 6.9533 7.1590 7.1590 7.4977 7.4977 8.6652 8.6652 9.0789 9.0789 9.2413 9.2413 9.6293 9.6293 11.9897 11.9897 12.1786 12.1786 12.2916 12.2916 13.1589 13.1589 k = 0.2459 0.2459 0.1886 ( 4974 PWs) bands (ev): -51.4712 -51.4712 -51.4712 -51.4712 -25.8017 -25.8017 -25.8005 -25.8005 -18.1200 -18.1200 -18.1141 -18.1141 -18.0809 -18.0809 -18.0805 -18.0805 -1.0584 -1.0584 -0.6231 -0.6231 0.7808 0.7808 4.8802 4.8802 5.7833 5.7833 6.1960 6.1960 6.7025 6.7025 7.0085 7.0085 7.2056 7.2056 7.5500 7.5500 8.6810 8.6810 9.1047 9.1047 9.2630 9.2630 9.7749 9.7749 11.9769 11.9769 12.1150 12.1150 12.3066 12.3066 13.1379 13.1379 k = 0.2377 0.2377 0.1886 ( 4978 PWs) bands (ev): -51.4713 -51.4713 -51.4713 -51.4713 -25.8010 -25.8010 -25.7998 -25.7998 -18.1197 -18.1197 -18.1136 -18.1136 -18.0777 -18.0777 -18.0774 -18.0774 -1.1108 -1.1108 -0.6698 -0.6698 0.7181 0.7181 4.9580 4.9580 5.8021 5.8021 6.1824 6.1824 6.7561 6.7561 7.0653 7.0653 7.2519 7.2519 7.6030 7.6030 8.6932 8.6932 9.1314 9.1314 9.2835 9.2835 9.9200 9.9200 11.9548 11.9548 12.0364 12.0364 12.3423 12.3423 13.1153 13.1153 k = 0.2295 0.2295 0.1886 ( 4982 PWs) bands (ev): -51.4715 -51.4715 -51.4715 -51.4715 -25.8004 -25.8004 -25.7991 -25.7991 -18.1194 -18.1194 -18.1131 -18.1131 -18.0746 -18.0746 -18.0742 -18.0742 -1.1628 -1.1628 -0.7173 -0.7173 0.6585 0.6585 5.0378 5.0378 5.7890 5.7890 6.2042 6.2042 6.8120 6.8120 7.1235 7.1235 7.2979 7.2979 7.6568 7.6568 8.7026 8.7026 9.1590 9.1590 9.3032 9.3032 10.0633 10.0633 11.9025 11.9025 11.9808 11.9808 12.3809 12.3809 13.0922 13.0922 k = 0.2213 0.2213 0.1886 ( 4976 PWs) bands (ev): -51.4716 -51.4716 -51.4716 -51.4716 -25.7996 -25.7996 -25.7983 -25.7983 -18.1191 -18.1191 -18.1126 -18.1126 -18.0714 -18.0714 -18.0709 -18.0709 -1.2140 -1.2140 -0.7655 -0.7655 0.6019 0.6019 5.1197 5.1197 5.7505 5.7505 6.2553 6.2553 6.8698 6.8698 7.1826 7.1826 7.3436 7.3436 7.7114 7.7114 8.7097 8.7097 9.1876 9.1876 9.3222 9.3222 10.2040 10.2040 11.8168 11.8168 11.9555 11.9555 12.4175 12.4175 13.0693 13.0693 k = 0.2131 0.2131 0.1886 ( 4970 PWs) bands (ev): -51.4718 -51.4718 -51.4717 -51.4717 -25.7989 -25.7989 -25.7975 -25.7975 -18.1187 -18.1187 -18.1120 -18.1120 -18.0682 -18.0682 -18.0677 -18.0677 -1.2645 -1.2645 -0.8140 -0.8140 0.5482 0.5482 5.2036 5.2036 5.6979 5.6979 6.3244 6.3244 6.9292 6.9292 7.2420 7.2420 7.3893 7.3893 7.7667 7.7667 8.7150 8.7150 9.2171 9.2171 9.3405 9.3405 10.3412 10.3412 11.7212 11.7212 11.9387 11.9387 12.4497 12.4497 13.0467 13.0467 k = 0.2049 0.2049 0.1886 ( 4976 PWs) bands (ev): -51.4719 -51.4719 -51.4719 -51.4719 -25.7982 -25.7982 -25.7969 -25.7969 -18.1184 -18.1184 -18.1116 -18.1116 -18.0651 -18.0651 -18.0646 -18.0646 -1.3141 -1.3141 -0.8626 -0.8626 0.4975 0.4975 5.2893 5.2893 5.6391 5.6391 6.4039 6.4039 6.9897 6.9897 7.3011 7.3011 7.4353 7.4353 7.8226 7.8226 8.7191 8.7191 9.2473 9.2473 9.3580 9.3580 10.4744 10.4744 11.6222 11.6222 11.9256 11.9256 12.4758 12.4758 13.0246 13.0246 k = 0.1967 0.1967 0.1886 ( 4982 PWs) bands (ev): -51.4720 -51.4720 -51.4720 -51.4720 -25.7976 -25.7976 -25.7962 -25.7962 -18.1181 -18.1181 -18.1111 -18.1111 -18.0620 -18.0620 -18.0615 -18.0615 -1.3627 -1.3627 -0.9112 -0.9112 0.4494 0.4494 5.3759 5.3759 5.5789 5.5789 6.4897 6.4897 7.0512 7.0512 7.3592 7.3592 7.4819 7.4819 7.8791 7.8791 8.7224 8.7224 9.2780 9.2780 9.3746 9.3746 10.6027 10.6027 11.5215 11.5215 11.9157 11.9157 12.4943 12.4943 13.0029 13.0029 k = 0.1885 0.1885 0.1886 ( 4974 PWs) bands (ev): -51.4722 -51.4722 -51.4721 -51.4721 -25.7968 -25.7968 -25.7955 -25.7955 -18.1178 -18.1178 -18.1106 -18.1106 -18.0589 -18.0589 -18.0584 -18.0584 -1.4101 -1.4101 -0.9595 -0.9595 0.4039 0.4039 5.4560 5.4560 5.5265 5.5265 6.5796 6.5796 7.1134 7.1134 7.4152 7.4152 7.5300 7.5300 7.9359 7.9359 8.7255 8.7255 9.3089 9.3089 9.3903 9.3903 10.7251 10.7251 11.4202 11.4202 11.9098 11.9098 12.5043 12.5043 12.9817 12.9817 k = 0.1803 0.1803 0.1886 ( 4982 PWs) bands (ev): -51.4723 -51.4723 -51.4723 -51.4723 -25.7962 -25.7962 -25.7948 -25.7948 -18.1175 -18.1175 -18.1102 -18.1102 -18.0559 -18.0559 -18.0553 -18.0553 -1.4563 -1.4563 -1.0072 -1.0072 0.3610 0.3610 5.4437 5.4437 5.5692 5.5692 6.6723 6.6723 7.1759 7.1759 7.4682 7.4682 7.5800 7.5800 7.9930 7.9930 8.7288 8.7288 9.3397 9.3397 9.4050 9.4050 10.8396 10.8396 11.3201 11.3201 11.9087 11.9087 12.5055 12.5055 12.9611 12.9611 k = 0.1721 0.1721 0.1886 ( 4990 PWs) bands (ev): -51.4724 -51.4724 -51.4724 -51.4724 -25.7956 -25.7956 -25.7942 -25.7942 -18.1172 -18.1172 -18.1098 -18.1098 -18.0530 -18.0530 -18.0524 -18.0524 -1.5011 -1.5011 -1.0542 -1.0542 0.3205 0.3205 5.3869 5.3869 5.6595 5.6595 6.7669 6.7669 7.2383 7.2383 7.5176 7.5176 7.6326 7.6326 8.0501 8.0501 8.7327 8.7327 9.3698 9.3698 9.4188 9.4188 10.9406 10.9406 11.2265 11.2265 11.9134 11.9134 12.4977 12.4977 12.9411 12.9411 k = 0.1639 0.1639 0.1886 ( 4990 PWs) bands (ev): -51.4726 -51.4726 -51.4725 -51.4725 -25.7949 -25.7949 -25.7936 -25.7936 -18.1169 -18.1169 -18.1093 -18.1093 -18.0500 -18.0500 -18.0494 -18.0494 -1.5445 -1.5445 -1.1002 -1.1002 0.2823 0.2823 5.3291 5.3291 5.7543 5.7543 6.8627 6.8627 7.3003 7.3003 7.5632 7.5632 7.6875 7.6875 8.1068 8.1068 8.7379 8.7379 9.3979 9.3979 9.4327 9.4327 10.9992 10.9992 11.1676 11.1676 11.9249 11.9249 12.4816 12.4816 12.9218 12.9218 k = 0.1557 0.1557 0.1886 ( 4986 PWs) bands (ev): -51.4727 -51.4727 -51.4726 -51.4726 -25.7942 -25.7942 -25.7929 -25.7929 -18.1165 -18.1165 -18.1089 -18.1089 -18.0472 -18.0472 -18.0466 -18.0466 -1.5864 -1.5864 -1.1451 -1.1451 0.2463 0.2463 5.2727 5.2727 5.8515 5.8515 6.9590 6.9590 7.3615 7.3615 7.6053 7.6053 7.7443 7.7443 8.1627 8.1627 8.7446 8.7446 9.4205 9.4205 9.4495 9.4495 10.9555 10.9555 11.2032 11.2032 11.9444 11.9444 12.4579 12.4579 12.9037 12.9037 k = 0.1475 0.1475 0.1886 ( 4986 PWs) bands (ev): -51.4728 -51.4728 -51.4727 -51.4727 -25.7936 -25.7936 -25.7924 -25.7924 -18.1162 -18.1162 -18.1085 -18.1085 -18.0444 -18.0444 -18.0438 -18.0438 -1.6267 -1.6267 -1.1887 -1.1887 0.2125 0.2125 5.2184 5.2184 5.9506 5.9506 7.0553 7.0553 7.4212 7.4212 7.6446 7.6446 7.8023 7.8023 8.2174 8.2174 8.7533 8.7533 9.4343 9.4343 9.4720 9.4720 10.8655 10.8655 11.2770 11.2770 11.9723 11.9723 12.4276 12.4276 12.8867 12.8867 k = 0.1393 0.1393 0.1886 ( 4980 PWs) bands (ev): -51.4729 -51.4729 -51.4729 -51.4729 -25.7930 -25.7930 -25.7917 -25.7917 -18.1159 -18.1159 -18.1081 -18.1081 -18.0418 -18.0418 -18.0411 -18.0411 -1.6652 -1.6652 -1.2307 -1.2307 0.1808 0.1808 5.1664 5.1664 6.0513 6.0513 7.1511 7.1511 7.4789 7.4789 7.6815 7.6815 7.8611 7.8611 8.2702 8.2702 8.7643 8.7643 9.4419 9.4419 9.4970 9.4970 10.7680 10.7680 11.3507 11.3507 12.0085 12.0085 12.3921 12.3921 12.8711 12.8711 k = 0.1311 0.1311 0.1886 ( 4984 PWs) bands (ev): -51.4730 -51.4730 -51.4730 -51.4730 -25.7925 -25.7925 -25.7912 -25.7912 -18.1156 -18.1156 -18.1077 -18.1077 -18.0393 -18.0393 -18.0385 -18.0385 -1.7019 -1.7019 -1.2711 -1.2711 0.1512 0.1512 5.1169 5.1169 6.1537 6.1537 7.2458 7.2458 7.5339 7.5339 7.7164 7.7164 7.9204 7.9204 8.3205 8.3205 8.7776 8.7776 9.4458 9.4458 9.5214 9.5214 10.6705 10.6705 11.4183 11.4183 12.0515 12.0515 12.3534 12.3534 12.8568 12.8568 k = 0.1230 0.1230 0.1886 ( 4980 PWs) bands (ev): -51.4731 -51.4731 -51.4731 -51.4731 -25.7919 -25.7919 -25.7906 -25.7906 -18.1153 -18.1153 -18.1073 -18.1073 -18.0368 -18.0368 -18.0360 -18.0360 -1.7368 -1.7368 -1.3097 -1.3097 0.1235 0.1235 5.0700 5.0700 6.2574 6.2574 7.3387 7.3387 7.5856 7.5856 7.7498 7.7498 7.9801 7.9801 8.3674 8.3674 8.7934 8.7934 9.4466 9.4466 9.5437 9.5437 10.5759 10.5759 11.4793 11.4793 12.0968 12.0968 12.3152 12.3152 12.8436 12.8436 k = 0.1148 0.1148 0.1886 ( 4978 PWs) bands (ev): -51.4732 -51.4732 -51.4732 -51.4732 -25.7914 -25.7914 -25.7901 -25.7901 -18.1151 -18.1151 -18.1069 -18.1069 -18.0345 -18.0345 -18.0336 -18.0336 -1.7698 -1.7698 -1.3464 -1.3464 0.0977 0.0977 5.0258 5.0258 6.3625 6.3625 7.4293 7.4293 7.6332 7.6332 7.7819 7.7819 8.0402 8.0402 8.4101 8.4101 8.8115 8.8115 9.4447 9.4447 9.5630 9.5630 10.4862 10.4862 11.5351 11.5351 12.1322 12.1322 12.2888 12.2888 12.8300 12.8300 k = 0.1066 0.1066 0.1886 ( 4978 PWs) bands (ev): -51.4733 -51.4733 -51.4733 -51.4733 -25.7909 -25.7909 -25.7896 -25.7896 -18.1148 -18.1148 -18.1066 -18.1066 -18.0323 -18.0323 -18.0314 -18.0314 -1.8007 -1.8007 -1.3810 -1.3810 0.0738 0.0738 4.9844 4.9844 6.4687 6.4687 7.5168 7.5168 7.6760 7.6760 7.8134 7.8134 8.1008 8.1008 8.4474 8.4474 8.8314 8.8314 9.4400 9.4400 9.5781 9.5781 10.4038 10.4038 11.5872 11.5872 12.1323 12.1323 12.2976 12.2976 12.8092 12.8092 k = 0.0984 0.0984 0.1886 ( 4990 PWs) bands (ev): -51.4734 -51.4734 -51.4733 -51.4733 -25.7905 -25.7905 -25.7892 -25.7892 -18.1146 -18.1146 -18.1063 -18.1063 -18.0303 -18.0303 -18.0294 -18.0294 -1.8296 -1.8296 -1.4135 -1.4135 0.0518 0.0518 4.9459 4.9459 6.5760 6.5760 7.6005 7.6005 7.7134 7.7134 7.8447 7.8447 8.1620 8.1620 8.4782 8.4782 8.8526 8.8526 9.4327 9.4327 9.5880 9.5880 10.3309 10.3309 11.6371 11.6371 12.0973 12.0973 12.3403 12.3403 12.7542 12.7542 k = 0.0902 0.0902 0.1886 ( 4988 PWs) bands (ev): -51.4734 -51.4734 -51.4734 -51.4734 -25.7901 -25.7901 -25.7888 -25.7888 -18.1144 -18.1144 -18.1060 -18.1060 -18.0283 -18.0283 -18.0274 -18.0274 -1.8564 -1.8564 -1.4437 -1.4437 0.0317 0.0317 4.9102 4.9102 6.6841 6.6841 7.6794 7.6794 7.7451 7.7451 7.8761 7.8761 8.2237 8.2237 8.5011 8.5011 8.8742 8.8742 9.4229 9.4229 9.5918 9.5918 10.2700 10.2700 11.6859 11.6859 12.0489 12.0489 12.3944 12.3944 12.6632 12.6632 k = 0.0820 0.0820 0.1886 ( 4988 PWs) bands (ev): -51.4735 -51.4735 -51.4735 -51.4735 -25.7897 -25.7897 -25.7884 -25.7884 -18.1142 -18.1142 -18.1057 -18.1057 -18.0265 -18.0265 -18.0256 -18.0256 -1.8810 -1.8810 -1.4715 -1.4715 0.0133 0.0133 4.8775 4.8775 6.7928 6.7928 7.7513 7.7513 7.7729 7.7729 7.9077 7.9077 8.2855 8.2855 8.5145 8.5145 8.8953 8.8953 9.4109 9.4109 9.5892 9.5892 10.2231 10.2231 11.7330 11.7330 11.9976 11.9976 12.4495 12.4495 12.5662 12.5662 k = 0.0738 0.0738 0.1886 ( 4976 PWs) bands (ev): -51.4736 -51.4736 -51.4736 -51.4736 -25.7893 -25.7893 -25.7880 -25.7880 -18.1139 -18.1139 -18.1054 -18.1054 -18.0249 -18.0249 -18.0239 -18.0239 -1.9035 -1.9035 -1.4969 -1.4969 -0.0033 -0.0033 4.8478 4.8478 6.9018 6.9018 7.7890 7.7890 7.8233 7.8233 7.9396 7.9396 8.3473 8.3473 8.5172 8.5172 8.9148 8.9148 9.3970 9.3970 9.5807 9.5807 10.1909 10.1909 11.7746 11.7746 11.9517 11.9517 12.4690 12.4690 12.5050 12.5050 k = 0.0656 0.0656 0.1886 ( 4968 PWs) bands (ev): -51.4736 -51.4736 -51.4736 -51.4736 -25.7889 -25.7889 -25.7876 -25.7876 -18.1137 -18.1137 -18.1052 -18.1052 -18.0234 -18.0234 -18.0224 -18.0224 -1.9236 -1.9236 -1.5199 -1.5199 -0.0180 -0.0180 4.8212 4.8212 7.0108 7.0108 7.8062 7.8062 7.8824 7.8824 7.9715 7.9715 8.4085 8.4085 8.5078 8.5078 8.9316 8.9316 9.3818 9.3818 9.5684 9.5684 10.1728 10.1728 11.7943 11.7943 11.9294 11.9294 12.3818 12.3818 12.5513 12.5513 k = 0.0574 0.0574 0.1886 ( 4960 PWs) bands (ev): -51.4737 -51.4737 -51.4737 -51.4737 -25.7886 -25.7886 -25.7873 -25.7873 -18.1135 -18.1135 -18.1049 -18.1049 -18.0220 -18.0220 -18.0210 -18.0210 -1.9415 -1.9415 -1.5403 -1.5403 -0.0311 -0.0311 4.7976 4.7976 7.1192 7.1192 7.8192 7.8192 7.9333 7.9333 8.0038 8.0038 8.4660 8.4660 8.4884 8.4884 8.9446 8.9446 9.3659 9.3659 9.5549 9.5549 10.1666 10.1666 11.7734 11.7734 11.9505 11.9505 12.3004 12.3004 12.5928 12.5928 k = 0.0492 0.0492 0.1886 ( 4944 PWs) bands (ev): -51.4737 -51.4737 -51.4737 -51.4737 -25.7883 -25.7883 -25.7869 -25.7869 -18.1133 -18.1133 -18.1046 -18.1046 -18.0208 -18.0208 -18.0198 -18.0198 -1.9571 -1.9571 -1.5580 -1.5580 -0.0423 -0.0423 4.7771 4.7771 7.2264 7.2264 7.8291 7.8291 7.9744 7.9744 8.0365 8.0365 8.4482 8.4482 8.5298 8.5298 8.9528 8.9528 9.3501 9.3501 9.5428 9.5428 10.1691 10.1691 11.7320 11.7320 11.9952 11.9952 12.2280 12.2280 12.6271 12.6271 k = 0.0410 0.0410 0.1886 ( 4940 PWs) bands (ev): -51.4737 -51.4737 -51.4737 -51.4737 -25.7881 -25.7881 -25.7867 -25.7867 -18.1132 -18.1132 -18.1045 -18.1045 -18.0198 -18.0198 -18.0188 -18.0188 -1.9703 -1.9703 -1.5731 -1.5731 -0.0519 -0.0519 4.7597 4.7597 7.3315 7.3315 7.8367 7.8367 8.0061 8.0061 8.0683 8.0683 8.4017 8.4017 8.5863 8.5863 8.9553 8.9553 9.3352 9.3352 9.5337 9.5337 10.1775 10.1775 11.6879 11.6879 12.0424 12.0424 12.1695 12.1695 12.6535 12.6535 k = 0.0328 0.0328 0.1886 ( 4950 PWs) bands (ev): -51.4738 -51.4738 -51.4738 -51.4738 -25.7880 -25.7880 -25.7865 -25.7865 -18.1131 -18.1131 -18.1044 -18.1044 -18.0191 -18.0191 -18.0180 -18.0180 -1.9811 -1.9811 -1.5855 -1.5855 -0.0596 -0.0596 4.7455 4.7455 7.4327 7.4327 7.8423 7.8423 8.0302 8.0302 8.0966 8.0966 8.3459 8.3459 8.6403 8.6403 8.9515 8.9515 9.3222 9.3222 9.5279 9.5279 10.1888 10.1888 11.6473 11.6473 12.0645 12.0645 12.1468 12.1468 12.6716 12.6716 k = 0.0246 0.0246 0.1886 ( 4942 PWs) bands (ev): -51.4738 -51.4738 -51.4738 -51.4738 -25.7878 -25.7878 -25.7864 -25.7864 -18.1130 -18.1130 -18.1042 -18.1042 -18.0184 -18.0184 -18.0173 -18.0173 -1.9896 -1.9896 -1.5952 -1.5952 -0.0657 -0.0657 4.7344 4.7344 7.5274 7.5274 7.8463 7.8463 8.0481 8.0481 8.1189 8.1189 8.2855 8.2855 8.6903 8.6903 8.9414 8.9414 9.3116 9.3116 9.5250 9.5250 10.2005 10.2005 11.6130 11.6130 12.0407 12.0407 12.1775 12.1775 12.6819 12.6819 k = 0.0164 0.0164 0.1886 ( 4948 PWs) bands (ev): -51.4738 -51.4738 -51.4738 -51.4738 -25.7878 -25.7878 -25.7862 -25.7862 -18.1130 -18.1130 -18.1041 -18.1041 -18.0181 -18.0181 -18.0169 -18.0169 -1.9957 -1.9957 -1.6022 -1.6022 -0.0700 -0.0700 4.7265 4.7265 7.6104 7.6104 7.8490 7.8490 8.0607 8.0607 8.1327 8.1327 8.2285 8.2285 8.7343 8.7343 8.9262 8.9262 9.3039 9.3039 9.5240 9.5240 10.2105 10.2105 11.5871 11.5871 12.0128 12.0128 12.2160 12.2160 12.6859 12.6859 k = 0.0082 0.0082 0.1886 ( 4948 PWs) bands (ev): -51.4738 -51.4738 -51.4738 -51.4738 -25.7877 -25.7877 -25.7862 -25.7862 -18.1130 -18.1130 -18.1041 -18.1041 -18.0178 -18.0178 -18.0166 -18.0166 -1.9993 -1.9993 -1.6063 -1.6063 -0.0726 -0.0726 4.7217 4.7217 7.6715 7.6715 7.8505 7.8505 8.0682 8.0682 8.1332 8.1332 8.1904 8.1904 8.7680 8.7680 8.9099 8.9099 9.2993 9.2993 9.5238 9.5238 10.2172 10.2172 11.5710 11.5710 11.9945 11.9945 12.2439 12.2439 12.6862 12.6862 k = 0.0000 0.0000 0.1886 ( 4952 PWs) bands (ev): -51.4739 -51.4739 -51.4738 -51.4738 -25.7878 -25.7878 -25.7862 -25.7862 -18.1130 -18.1130 -18.1041 -18.1041 -18.0177 -18.0177 -18.0165 -18.0165 -2.0005 -2.0005 -1.6077 -1.6077 -0.0735 -0.0735 4.7201 4.7201 7.6951 7.6951 7.8510 7.8510 8.0708 8.0708 8.1272 8.1272 8.1806 8.1806 8.7819 8.7819 8.9019 8.9019 9.2978 9.2978 9.5239 9.5239 10.2196 10.2196 11.5655 11.5655 11.9882 11.9882 12.2541 12.2541 12.6858 12.6858 k = 0.0000 0.5000-0.0000 ( 4984 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1516 -18.1516 -18.1516 -18.1516 -18.0508 -18.0508 -18.0508 -18.0508 -0.5566 -0.5566 -0.5566 -0.5566 1.8504 1.8504 1.8504 1.8504 4.8649 4.8649 4.8649 4.8649 8.2707 8.2707 8.2707 8.2707 8.5168 8.5168 8.5168 8.5168 9.0136 9.0136 9.0136 9.0136 10.3139 10.3139 10.3139 10.3139 10.6285 10.6285 10.6285 10.6285 13.5745 13.5745 13.5745 13.5745 k = 0.0000 0.5000 0.0111 ( 4986 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1516 -18.1516 -18.1516 -18.1516 -18.0508 -18.0508 -18.0508 -18.0508 -0.5566 -0.5566 -0.5566 -0.5566 1.8502 1.8502 1.8502 1.8502 4.8661 4.8661 4.8661 4.8661 8.2442 8.2442 8.2442 8.2442 8.5423 8.5423 8.5423 8.5423 9.0152 9.0152 9.0152 9.0152 10.3144 10.3144 10.3144 10.3144 10.6277 10.6277 10.6277 10.6277 13.5717 13.5717 13.5717 13.5717 k = 0.0000 0.5000 0.0222 ( 4984 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1516 -18.1516 -18.1516 -18.1516 -18.0508 -18.0508 -18.0508 -18.0508 -0.5566 -0.5566 -0.5566 -0.5566 1.8496 1.8496 1.8496 1.8496 4.8697 4.8697 4.8697 4.8697 8.1841 8.1841 8.1841 8.1841 8.5988 8.5988 8.5988 8.5988 9.0205 9.0205 9.0205 9.0205 10.3158 10.3158 10.3158 10.3158 10.6256 10.6256 10.6256 10.6256 13.5635 13.5635 13.5635 13.5635 k = 0.0000 0.5000 0.0333 ( 4990 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1516 -18.1516 -18.1516 -18.1516 -18.0508 -18.0508 -18.0508 -18.0508 -0.5564 -0.5564 -0.5564 -0.5564 1.8486 1.8486 1.8486 1.8486 4.8756 4.8756 4.8756 4.8756 8.1120 8.1120 8.1120 8.1120 8.6638 8.6638 8.6638 8.6638 9.0306 9.0306 9.0306 9.0306 10.3182 10.3182 10.3182 10.3182 10.6220 10.6220 10.6220 10.6220 13.5503 13.5503 13.5503 13.5503 k = 0.0000 0.5000 0.0444 ( 4990 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1516 -18.1516 -18.1516 -18.1516 -18.0508 -18.0508 -18.0508 -18.0508 -0.5563 -0.5563 -0.5563 -0.5563 1.8472 1.8472 1.8472 1.8472 4.8837 4.8837 4.8837 4.8837 8.0363 8.0363 8.0363 8.0363 8.7266 8.7266 8.7266 8.7266 9.0475 9.0475 9.0475 9.0475 10.3214 10.3214 10.3214 10.3214 10.6169 10.6169 10.6169 10.6169 13.5330 13.5330 13.5330 13.5330 k = 0.0000 0.5000 0.0555 ( 4984 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1516 -18.1516 -18.1516 -18.1516 -18.0508 -18.0508 -18.0508 -18.0508 -0.5561 -0.5561 -0.5561 -0.5561 1.8456 1.8456 1.8456 1.8456 4.8936 4.8936 4.8936 4.8936 7.9606 7.9606 7.9606 7.9606 8.7809 8.7809 8.7809 8.7809 9.0740 9.0740 9.0740 9.0740 10.3254 10.3254 10.3254 10.3254 10.6104 10.6104 10.6104 10.6104 13.5123 13.5123 13.5123 13.5123 k = 0.0000 0.5000 0.0666 ( 4990 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1516 -18.1516 -18.1516 -18.1516 -18.0508 -18.0508 -18.0508 -18.0508 -0.5559 -0.5559 -0.5559 -0.5559 1.8437 1.8437 1.8437 1.8437 4.9052 4.9052 4.9052 4.9052 7.8867 7.8867 7.8867 7.8867 8.8228 8.8228 8.8228 8.8228 9.1121 9.1121 9.1121 9.1121 10.3302 10.3302 10.3302 10.3302 10.6026 10.6026 10.6026 10.6026 13.4893 13.4893 13.4893 13.4893 k = 0.0000 0.5000 0.0777 ( 4990 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1516 -18.1516 -18.1516 -18.1516 -18.0508 -18.0508 -18.0508 -18.0508 -0.5557 -0.5557 -0.5557 -0.5557 1.8417 1.8417 1.8417 1.8417 4.9180 4.9180 4.9180 4.9180 7.8156 7.8156 7.8156 7.8156 8.8520 8.8520 8.8520 8.8520 9.1612 9.1612 9.1612 9.1612 10.3355 10.3355 10.3355 10.3355 10.5933 10.5933 10.5933 10.5933 13.4649 13.4649 13.4649 13.4649 k = 0.0000 0.5000 0.0887 ( 4980 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1515 -18.1515 -18.1515 -18.1515 -18.0508 -18.0508 -18.0508 -18.0508 -0.5555 -0.5555 -0.5555 -0.5555 1.8395 1.8395 1.8395 1.8395 4.9318 4.9318 4.9318 4.9318 7.7483 7.7483 7.7483 7.7483 8.8710 8.8710 8.8710 8.8710 9.2175 9.2175 9.2175 9.2175 10.3414 10.3414 10.3414 10.3414 10.5828 10.5828 10.5828 10.5828 13.4400 13.4400 13.4400 13.4400 k = 0.0000 0.5000 0.0998 ( 4980 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1515 -18.1515 -18.1515 -18.1515 -18.0508 -18.0508 -18.0508 -18.0508 -0.5552 -0.5552 -0.5552 -0.5552 1.8373 1.8373 1.8373 1.8373 4.9460 4.9460 4.9460 4.9460 7.6856 7.6856 7.6856 7.6856 8.8830 8.8830 8.8830 8.8830 9.2769 9.2769 9.2769 9.2769 10.3478 10.3478 10.3478 10.3478 10.5711 10.5711 10.5711 10.5711 13.4156 13.4156 13.4156 13.4156 k = 0.0000 0.5000 0.1109 ( 4964 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8019 -25.8019 -25.8019 -25.8019 -18.1515 -18.1515 -18.1515 -18.1515 -18.0507 -18.0507 -18.0507 -18.0507 -0.5550 -0.5550 -0.5550 -0.5550 1.8352 1.8352 1.8352 1.8352 4.9602 4.9602 4.9602 4.9602 7.6282 7.6282 7.6282 7.6282 8.8906 8.8906 8.8906 8.8906 9.3358 9.3358 9.3358 9.3358 10.3545 10.3545 10.3545 10.3545 10.5585 10.5585 10.5585 10.5585 13.3923 13.3923 13.3923 13.3923 k = 0.0000 0.5000 0.1220 ( 4974 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8019 -25.8019 -25.8019 -25.8019 -18.1515 -18.1515 -18.1515 -18.1515 -18.0507 -18.0507 -18.0507 -18.0507 -0.5548 -0.5548 -0.5548 -0.5548 1.8332 1.8332 1.8332 1.8332 4.9739 4.9739 4.9739 4.9739 7.5768 7.5768 7.5768 7.5768 8.8955 8.8955 8.8955 8.8955 9.3917 9.3917 9.3917 9.3917 10.3614 10.3614 10.3614 10.3614 10.5451 10.5451 10.5451 10.5451 13.3708 13.3708 13.3708 13.3708 k = 0.0000 0.5000 0.1331 ( 4966 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8019 -25.8019 -25.8019 -25.8019 -18.1515 -18.1515 -18.1515 -18.1515 -18.0507 -18.0507 -18.0507 -18.0507 -0.5546 -0.5546 -0.5546 -0.5546 1.8313 1.8313 1.8313 1.8313 4.9866 4.9866 4.9866 4.9866 7.5320 7.5320 7.5320 7.5320 8.8986 8.8986 8.8986 8.8986 9.4426 9.4426 9.4426 9.4426 10.3685 10.3685 10.3685 10.3685 10.5313 10.5313 10.5313 10.5313 13.3517 13.3517 13.3517 13.3517 k = 0.0000 0.5000 0.1442 ( 4974 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8019 -25.8019 -25.8019 -25.8019 -18.1515 -18.1515 -18.1515 -18.1515 -18.0508 -18.0508 -18.0508 -18.0508 -0.5544 -0.5544 -0.5544 -0.5544 1.8297 1.8297 1.8297 1.8297 4.9978 4.9978 4.9978 4.9978 7.4945 7.4945 7.4945 7.4945 8.9006 8.9006 8.9006 8.9006 9.4868 9.4868 9.4868 9.4868 10.3757 10.3757 10.3757 10.3757 10.5178 10.5178 10.5178 10.5178 13.3354 13.3354 13.3354 13.3354 k = 0.0000 0.5000 0.1553 ( 4976 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8019 -25.8019 -25.8019 -25.8019 -18.1515 -18.1515 -18.1515 -18.1515 -18.0508 -18.0508 -18.0508 -18.0508 -0.5543 -0.5543 -0.5543 -0.5543 1.8284 1.8284 1.8284 1.8284 5.0071 5.0071 5.0071 5.0071 7.4647 7.4647 7.4647 7.4647 8.9019 8.9019 8.9019 8.9019 9.5228 9.5228 9.5228 9.5228 10.3825 10.3825 10.3825 10.3825 10.5052 10.5052 10.5052 10.5052 13.3224 13.3224 13.3224 13.3224 k = 0.0000 0.5000 0.1664 ( 4972 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8019 -25.8019 -25.8019 -25.8019 -18.1515 -18.1515 -18.1515 -18.1515 -18.0508 -18.0508 -18.0508 -18.0508 -0.5542 -0.5542 -0.5542 -0.5542 1.8275 1.8275 1.8275 1.8275 5.0140 5.0140 5.0140 5.0140 7.4430 7.4430 7.4430 7.4430 8.9026 8.9026 8.9026 8.9026 9.5495 9.5495 9.5495 9.5495 10.3886 10.3886 10.3886 10.3886 10.4945 10.4945 10.4945 10.4945 13.3129 13.3129 13.3129 13.3129 k = 0.0000 0.5000 0.1775 ( 4972 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8019 -25.8019 -25.8019 -25.8019 -18.1515 -18.1515 -18.1515 -18.1515 -18.0508 -18.0508 -18.0508 -18.0508 -0.5541 -0.5541 -0.5541 -0.5541 1.8269 1.8269 1.8269 1.8269 5.0183 5.0183 5.0183 5.0183 7.4299 7.4299 7.4299 7.4299 8.9030 8.9030 8.9030 8.9030 9.5660 9.5660 9.5660 9.5660 10.3930 10.3930 10.3930 10.3930 10.4872 10.4872 10.4872 10.4872 13.3071 13.3071 13.3071 13.3071 k = 0.0000 0.5000 0.1886 ( 4984 PWs) bands (ev): -51.4711 -51.4711 -51.4711 -51.4711 -25.8020 -25.8020 -25.8020 -25.8020 -18.1515 -18.1515 -18.1515 -18.1515 -18.0508 -18.0508 -18.0508 -18.0508 -0.5541 -0.5541 -0.5541 -0.5541 1.8267 1.8267 1.8267 1.8267 5.0197 5.0197 5.0197 5.0197 7.4255 7.4255 7.4255 7.4255 8.9032 8.9032 8.9032 8.9032 9.5715 9.5715 9.5715 9.5715 10.3946 10.3946 10.3946 10.3946 10.4845 10.4845 10.4845 10.4845 13.3052 13.3052 13.3052 13.3052 k = 0.5000 0.5000-0.0000 ( 4916 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8147 -25.8147 -25.8147 -25.8147 -18.1409 -18.1409 -18.1409 -18.1409 -18.1230 -18.1230 -18.1230 -18.1230 0.0293 0.0293 0.0293 0.0293 3.6571 3.6571 3.6571 3.6571 5.1872 5.1872 5.1872 5.1872 5.7589 5.7589 5.7589 5.7589 6.5790 6.5790 6.5790 6.5790 7.8814 7.8814 7.8814 7.8814 8.8946 8.8946 8.8946 8.8946 12.2411 12.2411 12.2411 12.2411 13.6303 13.6303 13.6303 13.6303 k = 0.5000 0.5000 0.0111 ( 4928 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8148 -25.8148 -25.8148 -25.8148 -18.1409 -18.1409 -18.1409 -18.1409 -18.1230 -18.1230 -18.1230 -18.1230 0.0293 0.0293 0.0293 0.0293 3.6571 3.6571 3.6571 3.6571 5.1866 5.1866 5.1866 5.1866 5.7589 5.7589 5.7589 5.7589 6.5791 6.5791 6.5791 6.5791 7.8838 7.8838 7.8838 7.8838 8.8945 8.8945 8.8945 8.8945 12.2249 12.2249 12.2249 12.2249 13.6492 13.6492 13.6492 13.6492 k = 0.5000 0.5000 0.0222 ( 4928 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8148 -25.8148 -25.8148 -25.8148 -18.1409 -18.1409 -18.1409 -18.1409 -18.1230 -18.1230 -18.1230 -18.1230 0.0294 0.0294 0.0294 0.0294 3.6572 3.6572 3.6572 3.6572 5.1849 5.1849 5.1849 5.1849 5.7588 5.7588 5.7588 5.7588 6.5792 6.5792 6.5792 6.5792 7.8909 7.8909 7.8909 7.8909 8.8945 8.8945 8.8945 8.8945 12.1791 12.1791 12.1791 12.1791 13.7031 13.7031 13.7031 13.7031 k = 0.5000 0.5000 0.0333 ( 4936 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8148 -25.8148 -25.8148 -25.8148 -18.1409 -18.1409 -18.1409 -18.1409 -18.1231 -18.1231 -18.1231 -18.1231 0.0294 0.0294 0.0294 0.0294 3.6572 3.6572 3.6572 3.6572 5.1820 5.1820 5.1820 5.1820 5.7587 5.7587 5.7587 5.7587 6.5795 6.5795 6.5795 6.5795 7.9025 7.9025 7.9025 7.9025 8.8944 8.8944 8.8944 8.8944 12.1100 12.1100 12.1100 12.1100 13.7852 13.7852 13.7852 13.7852 k = 0.5000 0.5000 0.0444 ( 4936 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8148 -25.8148 -25.8148 -25.8148 -18.1409 -18.1409 -18.1409 -18.1409 -18.1231 -18.1231 -18.1231 -18.1231 0.0295 0.0295 0.0295 0.0295 3.6573 3.6573 3.6573 3.6573 5.1782 5.1782 5.1782 5.1782 5.7585 5.7585 5.7585 5.7585 6.5799 6.5799 6.5799 6.5799 7.9183 7.9183 7.9183 7.9183 8.8942 8.8942 8.8942 8.8942 12.0252 12.0252 12.0252 12.0252 13.8875 13.8875 13.8875 13.8875 k = 0.5000 0.5000 0.0555 ( 4936 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8148 -25.8148 -25.8148 -25.8148 -18.1409 -18.1409 -18.1409 -18.1409 -18.1231 -18.1231 -18.1231 -18.1231 0.0296 0.0296 0.0296 0.0296 3.6574 3.6574 3.6574 3.6574 5.1736 5.1736 5.1736 5.1736 5.7583 5.7583 5.7583 5.7583 6.5805 6.5805 6.5805 6.5805 7.9379 7.9379 7.9379 7.9379 8.8941 8.8941 8.8941 8.8941 11.9310 11.9310 11.9310 11.9310 14.0024 14.0024 14.0024 14.0024 k = 0.5000 0.5000 0.0666 ( 4944 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1409 -18.1409 -18.1231 -18.1231 -18.1231 -18.1231 0.0297 0.0297 0.0297 0.0297 3.6576 3.6576 3.6576 3.6576 5.1683 5.1683 5.1683 5.1683 5.7580 5.7580 5.7580 5.7580 6.5811 6.5811 6.5811 6.5811 7.9608 7.9608 7.9608 7.9608 8.8939 8.8939 8.8939 8.8939 11.8324 11.8324 11.8324 11.8324 14.1224 14.1224 14.1224 14.1224 k = 0.5000 0.5000 0.0777 ( 4940 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1409 -18.1409 -18.1231 -18.1231 -18.1231 -18.1231 0.0298 0.0298 0.0298 0.0298 3.6577 3.6577 3.6577 3.6577 5.1625 5.1625 5.1625 5.1625 5.7576 5.7576 5.7576 5.7576 6.5818 6.5818 6.5818 6.5818 7.9862 7.9862 7.9862 7.9862 8.8936 8.8936 8.8936 8.8936 11.7330 11.7330 11.7330 11.7330 14.2375 14.2375 14.2375 14.2375 k = 0.5000 0.5000 0.0887 ( 4940 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1409 -18.1409 -18.1231 -18.1231 -18.1231 -18.1231 0.0300 0.0300 0.0300 0.0300 3.6579 3.6579 3.6579 3.6579 5.1565 5.1565 5.1565 5.1565 5.7572 5.7572 5.7572 5.7572 6.5825 6.5825 6.5825 6.5825 8.0136 8.0136 8.0136 8.0136 8.8934 8.8934 8.8934 8.8934 11.6357 11.6357 11.6357 11.6357 14.3295 14.3295 14.3295 14.3295 k = 0.5000 0.5000 0.0998 ( 4952 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1409 -18.1409 -18.1232 -18.1232 -18.1232 -18.1232 0.0301 0.0301 0.0301 0.0301 3.6581 3.6581 3.6581 3.6581 5.1505 5.1505 5.1505 5.1505 5.7568 5.7568 5.7568 5.7568 6.5833 6.5833 6.5833 6.5833 8.0419 8.0419 8.0419 8.0419 8.8931 8.8931 8.8931 8.8931 11.5428 11.5428 11.5428 11.5428 14.3683 14.3683 14.3683 14.3683 k = 0.5000 0.5000 0.1109 ( 4952 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1409 -18.1409 -18.1232 -18.1232 -18.1232 -18.1232 0.0302 0.0302 0.0302 0.0302 3.6582 3.6582 3.6582 3.6582 5.1446 5.1446 5.1446 5.1446 5.7563 5.7563 5.7563 5.7563 6.5841 6.5841 6.5841 6.5841 8.0704 8.0704 8.0704 8.0704 8.8928 8.8928 8.8928 8.8928 11.4561 11.4561 11.4561 11.4561 14.3767 14.3767 14.3767 14.3767 k = 0.5000 0.5000 0.1220 ( 4952 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1409 -18.1409 -18.1232 -18.1232 -18.1232 -18.1232 0.0303 0.0303 0.0303 0.0303 3.6584 3.6584 3.6584 3.6584 5.1391 5.1391 5.1391 5.1391 5.7559 5.7559 5.7559 5.7559 6.5849 6.5849 6.5849 6.5849 8.0980 8.0980 8.0980 8.0980 8.8925 8.8925 8.8925 8.8925 11.3772 11.3772 11.3772 11.3772 14.3807 14.3807 14.3807 14.3807 k = 0.5000 0.5000 0.1331 ( 4944 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1409 -18.1409 -18.1231 -18.1231 -18.1231 -18.1231 0.0305 0.0305 0.0305 0.0305 3.6585 3.6585 3.6585 3.6585 5.1342 5.1342 5.1342 5.1342 5.7555 5.7555 5.7555 5.7555 6.5856 6.5856 6.5856 6.5856 8.1237 8.1237 8.1237 8.1237 8.8923 8.8923 8.8923 8.8923 11.3077 11.3077 11.3077 11.3077 14.3837 14.3837 14.3837 14.3837 k = 0.5000 0.5000 0.1442 ( 4936 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8148 -25.8148 -25.8148 -25.8148 -18.1409 -18.1409 -18.1409 -18.1409 -18.1231 -18.1231 -18.1231 -18.1231 0.0306 0.0306 0.0306 0.0306 3.6586 3.6586 3.6586 3.6586 5.1299 5.1299 5.1299 5.1299 5.7551 5.7551 5.7551 5.7551 6.5862 6.5862 6.5862 6.5862 8.1465 8.1465 8.1465 8.1465 8.8920 8.8920 8.8920 8.8920 11.2487 11.2487 11.2487 11.2487 14.3862 14.3862 14.3862 14.3862 k = 0.5000 0.5000 0.1553 ( 4952 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1409 -18.1409 -18.1232 -18.1232 -18.1232 -18.1232 0.0306 0.0306 0.0306 0.0306 3.6587 3.6587 3.6587 3.6587 5.1264 5.1264 5.1264 5.1264 5.7548 5.7548 5.7548 5.7548 6.5868 6.5868 6.5868 6.5868 8.1654 8.1654 8.1654 8.1654 8.8918 8.8918 8.8918 8.8918 11.2015 11.2015 11.2015 11.2015 14.3884 14.3884 14.3884 14.3884 k = 0.5000 0.5000 0.1664 ( 4952 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1409 -18.1409 -18.1232 -18.1232 -18.1232 -18.1232 0.0307 0.0307 0.0307 0.0307 3.6588 3.6588 3.6588 3.6588 5.1238 5.1238 5.1238 5.1238 5.7545 5.7545 5.7545 5.7545 6.5872 6.5872 6.5872 6.5872 8.1795 8.1795 8.1795 8.1795 8.8916 8.8916 8.8916 8.8916 11.1671 11.1671 11.1671 11.1671 14.3900 14.3900 14.3900 14.3901 k = 0.5000 0.5000 0.1775 ( 4948 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1409 -18.1409 -18.1232 -18.1232 -18.1232 -18.1232 0.0307 0.0307 0.0307 0.0307 3.6589 3.6589 3.6589 3.6589 5.1223 5.1223 5.1223 5.1223 5.7544 5.7544 5.7544 5.7544 6.5874 6.5874 6.5874 6.5874 8.1883 8.1883 8.1883 8.1883 8.8915 8.8915 8.8915 8.8915 11.1461 11.1461 11.1461 11.1461 14.3911 14.3911 14.3911 14.3911 k = 0.5000 0.5000 0.1886 ( 4952 PWs) bands (ev): -51.4684 -51.4684 -51.4684 -51.4684 -25.8149 -25.8149 -25.8149 -25.8149 -18.1409 -18.1409 -18.1409 -18.1409 -18.1232 -18.1232 -18.1232 -18.1232 0.0307 0.0307 0.0307 0.0307 3.6589 3.6589 3.6589 3.6589 5.1217 5.1217 5.1217 5.1217 5.7543 5.7543 5.7543 5.7543 6.5875 6.5875 6.5875 6.5875 8.1913 8.1913 8.1913 8.1913 8.8915 8.8915 8.8915 8.8915 11.1390 11.1390 11.1390 11.1390 14.3915 14.3915 14.3915 14.3915 Writing output data file HfSiTe.save init_run : 0.31s CPU 0.45s WALL ( 1 calls) electrons : 215.71s CPU 219.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 215.70s CPU 219.11s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.11s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.09s WALL ( 354 calls) cegterg : 200.04s CPU 202.78s WALL ( 696 calls) Called by sum_band: Called by *egterg: h_psi : 95.35s CPU 97.53s WALL ( 11576 calls) s_psi : 10.68s CPU 10.88s WALL ( 11576 calls) g_psi : 0.36s CPU 0.34s WALL ( 10526 calls) cdiaghg : 78.61s CPU 79.08s WALL ( 10880 calls) cegterg:over : 9.16s CPU 9.26s WALL ( 10526 calls) cegterg:upda : 9.12s CPU 9.33s WALL ( 10526 calls) cegterg:last : 4.48s CPU 4.58s WALL ( 1709 calls) cdiaghg:chol : 4.47s CPU 4.52s WALL ( 10880 calls) cdiaghg:inve : 2.99s CPU 2.95s WALL ( 10880 calls) cdiaghg:para : 4.75s CPU 4.91s WALL ( 21760 calls) Called by h_psi: h_psi:vloc : 72.20s CPU 73.85s WALL ( 11576 calls) h_psi:vnl : 22.86s CPU 23.33s WALL ( 11576 calls) add_vuspsi : 12.64s CPU 12.66s WALL ( 11576 calls) General routines calbec : 10.19s CPU 10.64s WALL ( 11576 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 67.10s CPU 68.51s WALL ( 1014520 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.28s WALL ( 708 calls) Parallel routines fft_scatter : 31.20s CPU 31.26s WALL ( 1014543 calls) PWSCF : 3m55.19s CPU 4m10.23s WALL This run was terminated on: 19: 1:44 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=