Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:23:25 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: ./KAlF4.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 31 19 6 1389 690 114 Max 32 20 7 1394 700 119 Sum 1137 717 221 50089 25009 4193 bravais-lattice index = 14 lattice parameter (alat) = 6.7218 a.u. unit-cell volume = 525.1822 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.721755 celldm(2)= 1.000000 celldm(3)= 1.729266 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 1.729266 ) 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 0.578280 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 F 7.00 18.99840 F( 1.00) K 9.00 39.09830 K( 1.00) Al 3.00 26.98150 Al( 1.00) 16 Sym. Ops., with inversion, found 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 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 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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= 393 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025445 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0025445 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0025445 k( 4) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0025445 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0025445 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0025445 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0025445 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0025445 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0025445 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0025445 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0025445 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0025445 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0025445 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0025445 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0025445 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0025445 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0025445 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0025445 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0025445 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0025445 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0025445 k( 22) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0025445 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0025445 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0025445 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0025445 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0025445 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0025445 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0025445 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0025445 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0025445 k( 31) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0025445 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0025445 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0025445 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0025445 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0025445 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0025445 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0025445 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0025445 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0025445 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0025445 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0025445 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0025445 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0025445 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0025445 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0025445 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025445 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025445 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0025445 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0025445 k( 50) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0025445 k( 51) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0025445 k( 52) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0025445 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0025445 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0025445 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0025445 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0025445 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0025445 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0025445 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0025445 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0025445 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0025445 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0025445 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0025445 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0025445 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0025445 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0025445 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0025445 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0025445 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0025445 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0025445 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0025445 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0025445 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0025445 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0025445 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0025445 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0025445 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0025445 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0025445 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0025445 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0025445 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0025445 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0025445 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0025445 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0025445 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0025445 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0025445 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0025445 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0025445 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0025445 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0025445 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0025445 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025445 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025445 k( 94) = ( 0.4920635 0.4920635 -0.0000000), wk = 0.0025445 k( 95) = ( 0.4841270 0.4841270 -0.0000000), wk = 0.0025445 k( 96) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0025445 k( 97) = ( 0.4682540 0.4682540 -0.0000000), wk = 0.0025445 k( 98) = ( 0.4603175 0.4603175 -0.0000000), wk = 0.0025445 k( 99) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0025445 k( 100) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0025445 k( 101) = ( 0.4365079 0.4365079 -0.0000000), wk = 0.0025445 k( 102) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0025445 k( 103) = ( 0.4206349 0.4206349 -0.0000000), wk = 0.0025445 k( 104) = ( 0.4126984 0.4126984 -0.0000000), wk = 0.0025445 k( 105) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0025445 k( 106) = ( 0.3968254 0.3968254 -0.0000000), wk = 0.0025445 k( 107) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0025445 k( 108) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0025445 k( 109) = ( 0.3730159 0.3730159 -0.0000000), wk = 0.0025445 k( 110) = ( 0.3650794 0.3650794 -0.0000000), wk = 0.0025445 k( 111) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0025445 k( 112) = ( 0.3492063 0.3492063 -0.0000000), wk = 0.0025445 k( 113) = ( 0.3412698 0.3412698 -0.0000000), wk = 0.0025445 k( 114) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025445 k( 115) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0025445 k( 116) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0025445 k( 117) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0025445 k( 118) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0025445 k( 119) = ( 0.2936508 0.2936508 -0.0000000), wk = 0.0025445 k( 120) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0025445 k( 121) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0025445 k( 122) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0025445 k( 123) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0025445 k( 124) = ( 0.2539683 0.2539683 -0.0000000), wk = 0.0025445 k( 125) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0025445 k( 126) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0025445 k( 127) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0025445 k( 128) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0025445 k( 129) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0025445 k( 130) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0025445 k( 131) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0025445 k( 132) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0025445 k( 133) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0025445 k( 134) = ( 0.1746032 0.1746032 -0.0000000), wk = 0.0025445 k( 135) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0025445 k( 136) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0025445 k( 137) = ( 0.1507937 0.1507936 -0.0000000), wk = 0.0025445 k( 138) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0025445 k( 139) = ( 0.1349206 0.1349206 -0.0000000), wk = 0.0025445 k( 140) = ( 0.1269841 0.1269841 -0.0000000), wk = 0.0025445 k( 141) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0025445 k( 142) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0025445 k( 143) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0025445 k( 144) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0025445 k( 145) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0025445 k( 146) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0025445 k( 147) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0025445 k( 148) = ( 0.0634921 0.0634921 -0.0000000), wk = 0.0025445 k( 149) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0025445 k( 150) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0025445 k( 151) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0025445 k( 152) = ( 0.0317460 0.0317460 -0.0000000), wk = 0.0025445 k( 153) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0025445 k( 154) = ( 0.0158730 0.0158730 -0.0000000), wk = 0.0025445 k( 155) = ( 0.0079365 0.0079365 -0.0000000), wk = 0.0025445 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025445 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025445 k( 158) = ( 0.0000000 0.0000000 0.0111208), wk = 0.0025445 k( 159) = ( 0.0000000 0.0000000 0.0222415), wk = 0.0025445 k( 160) = ( 0.0000000 0.0000000 0.0333623), wk = 0.0025445 k( 161) = ( 0.0000000 0.0000000 0.0444831), wk = 0.0025445 k( 162) = ( 0.0000000 0.0000000 0.0556038), wk = 0.0025445 k( 163) = ( 0.0000000 0.0000000 0.0667246), wk = 0.0025445 k( 164) = ( 0.0000000 0.0000000 0.0778454), wk = 0.0025445 k( 165) = ( 0.0000000 0.0000000 0.0889661), wk = 0.0025445 k( 166) = ( 0.0000000 0.0000000 0.1000869), wk = 0.0025445 k( 167) = ( 0.0000000 0.0000000 0.1112077), wk = 0.0025445 k( 168) = ( 0.0000000 0.0000000 0.1223285), wk = 0.0025445 k( 169) = ( 0.0000000 0.0000000 0.1334492), wk = 0.0025445 k( 170) = ( 0.0000000 0.0000000 0.1445700), wk = 0.0025445 k( 171) = ( 0.0000000 0.0000000 0.1556908), wk = 0.0025445 k( 172) = ( 0.0000000 0.0000000 0.1668115), wk = 0.0025445 k( 173) = ( 0.0000000 0.0000000 0.1779323), wk = 0.0025445 k( 174) = ( 0.0000000 0.0000000 0.1890531), wk = 0.0025445 k( 175) = ( 0.0000000 0.0000000 0.2001738), wk = 0.0025445 k( 176) = ( 0.0000000 0.0000000 0.2112946), wk = 0.0025445 k( 177) = ( 0.0000000 0.0000000 0.2224154), wk = 0.0025445 k( 178) = ( 0.0000000 0.0000000 0.2335361), wk = 0.0025445 k( 179) = ( 0.0000000 0.0000000 0.2446569), wk = 0.0025445 k( 180) = ( 0.0000000 0.0000000 0.2557777), wk = 0.0025445 k( 181) = ( 0.0000000 0.0000000 0.2668984), wk = 0.0025445 k( 182) = ( 0.0000000 0.0000000 0.2780192), wk = 0.0025445 k( 183) = ( 0.0000000 0.0000000 0.2891400), wk = 0.0025445 k( 184) = ( 0.0000000 0.0000000 0.2891400), wk = 0.0025445 k( 185) = ( 0.0000000 0.0111111 0.2891400), wk = 0.0025445 k( 186) = ( 0.0000000 0.0222222 0.2891400), wk = 0.0025445 k( 187) = ( 0.0000000 0.0333333 0.2891400), wk = 0.0025445 k( 188) = ( 0.0000000 0.0444444 0.2891400), wk = 0.0025445 k( 189) = ( 0.0000000 0.0555556 0.2891400), wk = 0.0025445 k( 190) = ( 0.0000000 0.0666667 0.2891400), wk = 0.0025445 k( 191) = ( 0.0000000 0.0777778 0.2891400), wk = 0.0025445 k( 192) = ( 0.0000000 0.0888889 0.2891400), wk = 0.0025445 k( 193) = ( 0.0000000 0.1000000 0.2891400), wk = 0.0025445 k( 194) = ( 0.0000000 0.1111111 0.2891400), wk = 0.0025445 k( 195) = ( 0.0000000 0.1222222 0.2891400), wk = 0.0025445 k( 196) = ( 0.0000000 0.1333333 0.2891400), wk = 0.0025445 k( 197) = ( 0.0000000 0.1444444 0.2891400), wk = 0.0025445 k( 198) = ( 0.0000000 0.1555556 0.2891400), wk = 0.0025445 k( 199) = ( 0.0000000 0.1666667 0.2891400), wk = 0.0025445 k( 200) = ( 0.0000000 0.1777778 0.2891400), wk = 0.0025445 k( 201) = ( 0.0000000 0.1888889 0.2891400), wk = 0.0025445 k( 202) = ( 0.0000000 0.2000000 0.2891400), wk = 0.0025445 k( 203) = ( 0.0000000 0.2111111 0.2891400), wk = 0.0025445 k( 204) = ( 0.0000000 0.2222222 0.2891400), wk = 0.0025445 k( 205) = ( 0.0000000 0.2333333 0.2891400), wk = 0.0025445 k( 206) = ( 0.0000000 0.2444444 0.2891400), wk = 0.0025445 k( 207) = ( 0.0000000 0.2555556 0.2891400), wk = 0.0025445 k( 208) = ( 0.0000000 0.2666667 0.2891400), wk = 0.0025445 k( 209) = ( 0.0000000 0.2777778 0.2891400), wk = 0.0025445 k( 210) = ( 0.0000000 0.2888889 0.2891400), wk = 0.0025445 k( 211) = ( 0.0000000 0.3000000 0.2891400), wk = 0.0025445 k( 212) = ( 0.0000000 0.3111111 0.2891400), wk = 0.0025445 k( 213) = ( 0.0000000 0.3222222 0.2891400), wk = 0.0025445 k( 214) = ( 0.0000000 0.3333333 0.2891400), wk = 0.0025445 k( 215) = ( 0.0000000 0.3444444 0.2891400), wk = 0.0025445 k( 216) = ( 0.0000000 0.3555556 0.2891400), wk = 0.0025445 k( 217) = ( 0.0000000 0.3666667 0.2891400), wk = 0.0025445 k( 218) = ( 0.0000000 0.3777778 0.2891400), wk = 0.0025445 k( 219) = ( 0.0000000 0.3888889 0.2891400), wk = 0.0025445 k( 220) = ( 0.0000000 0.4000000 0.2891400), wk = 0.0025445 k( 221) = ( 0.0000000 0.4111111 0.2891400), wk = 0.0025445 k( 222) = ( 0.0000000 0.4222222 0.2891400), wk = 0.0025445 k( 223) = ( 0.0000000 0.4333333 0.2891400), wk = 0.0025445 k( 224) = ( 0.0000000 0.4444444 0.2891400), wk = 0.0025445 k( 225) = ( 0.0000000 0.4555556 0.2891400), wk = 0.0025445 k( 226) = ( 0.0000000 0.4666667 0.2891400), wk = 0.0025445 k( 227) = ( 0.0000000 0.4777778 0.2891400), wk = 0.0025445 k( 228) = ( 0.0000000 0.4888889 0.2891400), wk = 0.0025445 k( 229) = ( 0.0000000 0.5000000 0.2891400), wk = 0.0025445 k( 230) = ( 0.0000000 0.5000000 0.2891400), wk = 0.0025445 k( 231) = ( 0.0111111 0.5000000 0.2891400), wk = 0.0025445 k( 232) = ( 0.0222222 0.5000000 0.2891400), wk = 0.0025445 k( 233) = ( 0.0333333 0.5000000 0.2891400), wk = 0.0025445 k( 234) = ( 0.0444444 0.5000000 0.2891400), wk = 0.0025445 k( 235) = ( 0.0555556 0.5000000 0.2891400), wk = 0.0025445 k( 236) = ( 0.0666667 0.5000000 0.2891400), wk = 0.0025445 k( 237) = ( 0.0777778 0.5000000 0.2891400), wk = 0.0025445 k( 238) = ( 0.0888889 0.5000000 0.2891400), wk = 0.0025445 k( 239) = ( 0.1000000 0.5000000 0.2891400), wk = 0.0025445 k( 240) = ( 0.1111111 0.5000000 0.2891400), wk = 0.0025445 k( 241) = ( 0.1222222 0.5000000 0.2891400), wk = 0.0025445 k( 242) = ( 0.1333333 0.5000000 0.2891400), wk = 0.0025445 k( 243) = ( 0.1444444 0.5000000 0.2891400), wk = 0.0025445 k( 244) = ( 0.1555556 0.5000000 0.2891400), wk = 0.0025445 k( 245) = ( 0.1666667 0.5000000 0.2891400), wk = 0.0025445 k( 246) = ( 0.1777778 0.5000000 0.2891400), wk = 0.0025445 k( 247) = ( 0.1888889 0.5000000 0.2891400), wk = 0.0025445 k( 248) = ( 0.2000000 0.5000000 0.2891400), wk = 0.0025445 k( 249) = ( 0.2111111 0.5000000 0.2891400), wk = 0.0025445 k( 250) = ( 0.2222222 0.5000000 0.2891400), wk = 0.0025445 k( 251) = ( 0.2333333 0.5000000 0.2891400), wk = 0.0025445 k( 252) = ( 0.2444444 0.5000000 0.2891400), wk = 0.0025445 k( 253) = ( 0.2555556 0.5000000 0.2891400), wk = 0.0025445 k( 254) = ( 0.2666667 0.5000000 0.2891400), wk = 0.0025445 k( 255) = ( 0.2777778 0.5000000 0.2891400), wk = 0.0025445 k( 256) = ( 0.2888889 0.5000000 0.2891400), wk = 0.0025445 k( 257) = ( 0.3000000 0.5000000 0.2891400), wk = 0.0025445 k( 258) = ( 0.3111111 0.5000000 0.2891400), wk = 0.0025445 k( 259) = ( 0.3222222 0.5000000 0.2891400), wk = 0.0025445 k( 260) = ( 0.3333333 0.5000000 0.2891400), wk = 0.0025445 k( 261) = ( 0.3444444 0.5000000 0.2891400), wk = 0.0025445 k( 262) = ( 0.3555556 0.5000000 0.2891400), wk = 0.0025445 k( 263) = ( 0.3666667 0.5000000 0.2891400), wk = 0.0025445 k( 264) = ( 0.3777778 0.5000000 0.2891400), wk = 0.0025445 k( 265) = ( 0.3888889 0.5000000 0.2891400), wk = 0.0025445 k( 266) = ( 0.4000000 0.5000000 0.2891400), wk = 0.0025445 k( 267) = ( 0.4111111 0.5000000 0.2891400), wk = 0.0025445 k( 268) = ( 0.4222222 0.5000000 0.2891400), wk = 0.0025445 k( 269) = ( 0.4333333 0.5000000 0.2891400), wk = 0.0025445 k( 270) = ( 0.4444444 0.5000000 0.2891400), wk = 0.0025445 k( 271) = ( 0.4555556 0.5000000 0.2891400), wk = 0.0025445 k( 272) = ( 0.4666667 0.5000000 0.2891400), wk = 0.0025445 k( 273) = ( 0.4777778 0.5000000 0.2891400), wk = 0.0025445 k( 274) = ( 0.4888889 0.5000000 0.2891400), wk = 0.0025445 k( 275) = ( 0.5000000 0.5000000 0.2891400), wk = 0.0025445 k( 276) = ( 0.5000000 0.5000000 0.2891400), wk = 0.0025445 k( 277) = ( 0.4920635 0.4920635 0.2891400), wk = 0.0025445 k( 278) = ( 0.4841270 0.4841270 0.2891400), wk = 0.0025445 k( 279) = ( 0.4761905 0.4761905 0.2891400), wk = 0.0025445 k( 280) = ( 0.4682540 0.4682540 0.2891400), wk = 0.0025445 k( 281) = ( 0.4603175 0.4603175 0.2891400), wk = 0.0025445 k( 282) = ( 0.4523810 0.4523809 0.2891400), wk = 0.0025445 k( 283) = ( 0.4444444 0.4444444 0.2891400), wk = 0.0025445 k( 284) = ( 0.4365079 0.4365079 0.2891400), wk = 0.0025445 k( 285) = ( 0.4285714 0.4285714 0.2891400), wk = 0.0025445 k( 286) = ( 0.4206349 0.4206349 0.2891400), wk = 0.0025445 k( 287) = ( 0.4126984 0.4126984 0.2891400), wk = 0.0025445 k( 288) = ( 0.4047619 0.4047619 0.2891400), wk = 0.0025445 k( 289) = ( 0.3968254 0.3968254 0.2891400), wk = 0.0025445 k( 290) = ( 0.3888889 0.3888889 0.2891400), wk = 0.0025445 k( 291) = ( 0.3809524 0.3809524 0.2891400), wk = 0.0025445 k( 292) = ( 0.3730159 0.3730159 0.2891400), wk = 0.0025445 k( 293) = ( 0.3650794 0.3650794 0.2891400), wk = 0.0025445 k( 294) = ( 0.3571429 0.3571429 0.2891400), wk = 0.0025445 k( 295) = ( 0.3492063 0.3492063 0.2891400), wk = 0.0025445 k( 296) = ( 0.3412698 0.3412698 0.2891400), wk = 0.0025445 k( 297) = ( 0.3333333 0.3333333 0.2891400), wk = 0.0025445 k( 298) = ( 0.3253968 0.3253968 0.2891400), wk = 0.0025445 k( 299) = ( 0.3174603 0.3174603 0.2891400), wk = 0.0025445 k( 300) = ( 0.3095238 0.3095238 0.2891400), wk = 0.0025445 k( 301) = ( 0.3015873 0.3015873 0.2891400), wk = 0.0025445 k( 302) = ( 0.2936508 0.2936508 0.2891400), wk = 0.0025445 k( 303) = ( 0.2857143 0.2857143 0.2891400), wk = 0.0025445 k( 304) = ( 0.2777778 0.2777778 0.2891400), wk = 0.0025445 k( 305) = ( 0.2698413 0.2698413 0.2891400), wk = 0.0025445 k( 306) = ( 0.2619048 0.2619048 0.2891400), wk = 0.0025445 k( 307) = ( 0.2539683 0.2539683 0.2891400), wk = 0.0025445 k( 308) = ( 0.2460317 0.2460317 0.2891400), wk = 0.0025445 k( 309) = ( 0.2380952 0.2380952 0.2891400), wk = 0.0025445 k( 310) = ( 0.2301587 0.2301587 0.2891400), wk = 0.0025445 k( 311) = ( 0.2222222 0.2222222 0.2891400), wk = 0.0025445 k( 312) = ( 0.2142857 0.2142857 0.2891400), wk = 0.0025445 k( 313) = ( 0.2063492 0.2063492 0.2891400), wk = 0.0025445 k( 314) = ( 0.1984127 0.1984127 0.2891400), wk = 0.0025445 k( 315) = ( 0.1904762 0.1904762 0.2891400), wk = 0.0025445 k( 316) = ( 0.1825397 0.1825397 0.2891400), wk = 0.0025445 k( 317) = ( 0.1746032 0.1746032 0.2891400), wk = 0.0025445 k( 318) = ( 0.1666667 0.1666667 0.2891400), wk = 0.0025445 k( 319) = ( 0.1587302 0.1587302 0.2891400), wk = 0.0025445 k( 320) = ( 0.1507937 0.1507936 0.2891400), wk = 0.0025445 k( 321) = ( 0.1428571 0.1428571 0.2891400), wk = 0.0025445 k( 322) = ( 0.1349206 0.1349206 0.2891400), wk = 0.0025445 k( 323) = ( 0.1269841 0.1269841 0.2891400), wk = 0.0025445 k( 324) = ( 0.1190476 0.1190476 0.2891400), wk = 0.0025445 k( 325) = ( 0.1111111 0.1111111 0.2891400), wk = 0.0025445 k( 326) = ( 0.1031746 0.1031746 0.2891400), wk = 0.0025445 k( 327) = ( 0.0952381 0.0952381 0.2891400), wk = 0.0025445 k( 328) = ( 0.0873016 0.0873016 0.2891400), wk = 0.0025445 k( 329) = ( 0.0793651 0.0793651 0.2891400), wk = 0.0025445 k( 330) = ( 0.0714286 0.0714286 0.2891400), wk = 0.0025445 k( 331) = ( 0.0634921 0.0634921 0.2891400), wk = 0.0025445 k( 332) = ( 0.0555556 0.0555556 0.2891400), wk = 0.0025445 k( 333) = ( 0.0476191 0.0476190 0.2891400), wk = 0.0025445 k( 334) = ( 0.0396825 0.0396825 0.2891400), wk = 0.0025445 k( 335) = ( 0.0317460 0.0317460 0.2891400), wk = 0.0025445 k( 336) = ( 0.0238095 0.0238095 0.2891400), wk = 0.0025445 k( 337) = ( 0.0158730 0.0158730 0.2891400), wk = 0.0025445 k( 338) = ( 0.0079365 0.0079365 0.2891400), wk = 0.0025445 k( 339) = ( 0.0000000 0.0000000 0.2891400), wk = 0.0025445 k( 340) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025445 k( 341) = ( 0.0000000 0.5000000 0.0111208), wk = 0.0025445 k( 342) = ( 0.0000000 0.5000000 0.0222415), wk = 0.0025445 k( 343) = ( 0.0000000 0.5000000 0.0333623), wk = 0.0025445 k( 344) = ( 0.0000000 0.5000000 0.0444831), wk = 0.0025445 k( 345) = ( 0.0000000 0.5000000 0.0556038), wk = 0.0025445 k( 346) = ( 0.0000000 0.5000000 0.0667246), wk = 0.0025445 k( 347) = ( 0.0000000 0.5000000 0.0778454), wk = 0.0025445 k( 348) = ( 0.0000000 0.5000000 0.0889661), wk = 0.0025445 k( 349) = ( 0.0000000 0.5000000 0.1000869), wk = 0.0025445 k( 350) = ( 0.0000000 0.5000000 0.1112077), wk = 0.0025445 k( 351) = ( 0.0000000 0.5000000 0.1223285), wk = 0.0025445 k( 352) = ( 0.0000000 0.5000000 0.1334492), wk = 0.0025445 k( 353) = ( 0.0000000 0.5000000 0.1445700), wk = 0.0025445 k( 354) = ( 0.0000000 0.5000000 0.1556908), wk = 0.0025445 k( 355) = ( 0.0000000 0.5000000 0.1668115), wk = 0.0025445 k( 356) = ( 0.0000000 0.5000000 0.1779323), wk = 0.0025445 k( 357) = ( 0.0000000 0.5000000 0.1890531), wk = 0.0025445 k( 358) = ( 0.0000000 0.5000000 0.2001738), wk = 0.0025445 k( 359) = ( 0.0000000 0.5000000 0.2112946), wk = 0.0025445 k( 360) = ( 0.0000000 0.5000000 0.2224154), wk = 0.0025445 k( 361) = ( 0.0000000 0.5000000 0.2335361), wk = 0.0025445 k( 362) = ( 0.0000000 0.5000000 0.2446569), wk = 0.0025445 k( 363) = ( 0.0000000 0.5000000 0.2557777), wk = 0.0025445 k( 364) = ( 0.0000000 0.5000000 0.2668984), wk = 0.0025445 k( 365) = ( 0.0000000 0.5000000 0.2780192), wk = 0.0025445 k( 366) = ( 0.0000000 0.5000000 0.2891400), wk = 0.0025445 k( 367) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025445 k( 368) = ( 0.5000000 0.5000000 0.0111208), wk = 0.0025445 k( 369) = ( 0.5000000 0.5000000 0.0222415), wk = 0.0025445 k( 370) = ( 0.5000000 0.5000000 0.0333623), wk = 0.0025445 k( 371) = ( 0.5000000 0.5000000 0.0444831), wk = 0.0025445 k( 372) = ( 0.5000000 0.5000000 0.0556038), wk = 0.0025445 k( 373) = ( 0.5000000 0.5000000 0.0667246), wk = 0.0025445 k( 374) = ( 0.5000000 0.5000000 0.0778454), wk = 0.0025445 k( 375) = ( 0.5000000 0.5000000 0.0889661), wk = 0.0025445 k( 376) = ( 0.5000000 0.5000000 0.1000869), wk = 0.0025445 k( 377) = ( 0.5000000 0.5000000 0.1112077), wk = 0.0025445 k( 378) = ( 0.5000000 0.5000000 0.1223285), wk = 0.0025445 k( 379) = ( 0.5000000 0.5000000 0.1334492), wk = 0.0025445 k( 380) = ( 0.5000000 0.5000000 0.1445700), wk = 0.0025445 k( 381) = ( 0.5000000 0.5000000 0.1556908), wk = 0.0025445 k( 382) = ( 0.5000000 0.5000000 0.1668115), wk = 0.0025445 k( 383) = ( 0.5000000 0.5000000 0.1779323), wk = 0.0025445 k( 384) = ( 0.5000000 0.5000000 0.1890531), wk = 0.0025445 k( 385) = ( 0.5000000 0.5000000 0.2001738), wk = 0.0025445 k( 386) = ( 0.5000000 0.5000000 0.2112946), wk = 0.0025445 k( 387) = ( 0.5000000 0.5000000 0.2224154), wk = 0.0025445 k( 388) = ( 0.5000000 0.5000000 0.2335361), wk = 0.0025445 k( 389) = ( 0.5000000 0.5000000 0.2446569), wk = 0.0025445 k( 390) = ( 0.5000000 0.5000000 0.2557777), wk = 0.0025445 k( 391) = ( 0.5000000 0.5000000 0.2668984), wk = 0.0025445 k( 392) = ( 0.5000000 0.5000000 0.2780192), wk = 0.0025445 k( 393) = ( 0.5000000 0.5000000 0.2891400), wk = 0.0025445 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025445 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0025445 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0025445 k( 4) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0025445 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0025445 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0025445 k( 7) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0025445 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0025445 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0025445 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0025445 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0025445 k( 12) = ( 0.0000000 0.1222222 0.0000000), wk = 0.0025445 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0025445 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0025445 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0025445 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0025445 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0025445 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0025445 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0025445 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0025445 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0025445 k( 22) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0025445 k( 23) = ( 0.0000000 0.2444444 0.0000000), wk = 0.0025445 k( 24) = ( 0.0000000 0.2555556 0.0000000), wk = 0.0025445 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0025445 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0025445 k( 27) = ( 0.0000000 0.2888889 0.0000000), wk = 0.0025445 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0025445 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0025445 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0025445 k( 31) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0025445 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0025445 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0025445 k( 34) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0025445 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0025445 k( 36) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0025445 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0025445 k( 38) = ( 0.0000000 0.4111111 0.0000000), wk = 0.0025445 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0025445 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0025445 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0025445 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0025445 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0025445 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0025445 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0025445 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025445 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025445 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0025445 k( 49) = ( 0.0222222 0.5000000 0.0000000), wk = 0.0025445 k( 50) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0025445 k( 51) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0025445 k( 52) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0025445 k( 53) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0025445 k( 54) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0025445 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0025445 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0025445 k( 57) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0025445 k( 58) = ( 0.1222222 0.5000000 0.0000000), wk = 0.0025445 k( 59) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0025445 k( 60) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0025445 k( 61) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0025445 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0025445 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0025445 k( 64) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0025445 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0025445 k( 66) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0025445 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0025445 k( 68) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0025445 k( 69) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0025445 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0025445 k( 71) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0025445 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0025445 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0025445 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0025445 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0025445 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0025445 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0025445 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0025445 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0025445 k( 80) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0025445 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0025445 k( 82) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0025445 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0025445 k( 84) = ( 0.4111111 0.5000000 0.0000000), wk = 0.0025445 k( 85) = ( 0.4222222 0.5000000 0.0000000), wk = 0.0025445 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0025445 k( 87) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0025445 k( 88) = ( 0.4555556 0.5000000 0.0000000), wk = 0.0025445 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0025445 k( 90) = ( 0.4777778 0.5000000 0.0000000), wk = 0.0025445 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0025445 k( 92) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025445 k( 93) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025445 k( 94) = ( 0.4920635 0.4920635 -0.0000000), wk = 0.0025445 k( 95) = ( 0.4841270 0.4841270 -0.0000000), wk = 0.0025445 k( 96) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0025445 k( 97) = ( 0.4682540 0.4682540 0.0000000), wk = 0.0025445 k( 98) = ( 0.4603175 0.4603175 0.0000000), wk = 0.0025445 k( 99) = ( 0.4523810 0.4523810 0.0000000), wk = 0.0025445 k( 100) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0025445 k( 101) = ( 0.4365079 0.4365079 0.0000000), wk = 0.0025445 k( 102) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0025445 k( 103) = ( 0.4206349 0.4206349 0.0000000), wk = 0.0025445 k( 104) = ( 0.4126984 0.4126984 0.0000000), wk = 0.0025445 k( 105) = ( 0.4047619 0.4047619 0.0000000), wk = 0.0025445 k( 106) = ( 0.3968254 0.3968254 0.0000000), wk = 0.0025445 k( 107) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0025445 k( 108) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0025445 k( 109) = ( 0.3730159 0.3730159 0.0000000), wk = 0.0025445 k( 110) = ( 0.3650794 0.3650794 0.0000000), wk = 0.0025445 k( 111) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0025445 k( 112) = ( 0.3492063 0.3492063 -0.0000000), wk = 0.0025445 k( 113) = ( 0.3412698 0.3412698 -0.0000000), wk = 0.0025445 k( 114) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025445 k( 115) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0025445 k( 116) = ( 0.3174603 0.3174603 0.0000000), wk = 0.0025445 k( 117) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0025445 k( 118) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0025445 k( 119) = ( 0.2936508 0.2936508 -0.0000000), wk = 0.0025445 k( 120) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0025445 k( 121) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0025445 k( 122) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0025445 k( 123) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0025445 k( 124) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0025445 k( 125) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0025445 k( 126) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0025445 k( 127) = ( 0.2301587 0.2301587 0.0000000), wk = 0.0025445 k( 128) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0025445 k( 129) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0025445 k( 130) = ( 0.2063492 0.2063492 0.0000000), wk = 0.0025445 k( 131) = ( 0.1984127 0.1984127 0.0000000), wk = 0.0025445 k( 132) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0025445 k( 133) = ( 0.1825397 0.1825397 0.0000000), wk = 0.0025445 k( 134) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0025445 k( 135) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0025445 k( 136) = ( 0.1587302 0.1587302 0.0000000), wk = 0.0025445 k( 137) = ( 0.1507937 0.1507937 -0.0000000), wk = 0.0025445 k( 138) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0025445 k( 139) = ( 0.1349206 0.1349206 0.0000000), wk = 0.0025445 k( 140) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0025445 k( 141) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0025445 k( 142) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0025445 k( 143) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0025445 k( 144) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0025445 k( 145) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0025445 k( 146) = ( 0.0793651 0.0793651 0.0000000), wk = 0.0025445 k( 147) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0025445 k( 148) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0025445 k( 149) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0025445 k( 150) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0025445 k( 151) = ( 0.0396825 0.0396825 0.0000000), wk = 0.0025445 k( 152) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0025445 k( 153) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0025445 k( 154) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0025445 k( 155) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0025445 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025445 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025445 k( 158) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0025445 k( 159) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0025445 k( 160) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0025445 k( 161) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0025445 k( 162) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0025445 k( 163) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0025445 k( 164) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0025445 k( 165) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0025445 k( 166) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0025445 k( 167) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0025445 k( 168) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0025445 k( 169) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0025445 k( 170) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025445 k( 171) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0025445 k( 172) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0025445 k( 173) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0025445 k( 174) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0025445 k( 175) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0025445 k( 176) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0025445 k( 177) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0025445 k( 178) = ( 0.0000000 0.0000000 0.4038461), wk = 0.0025445 k( 179) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0025445 k( 180) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0025445 k( 181) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0025445 k( 182) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0025445 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025445 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025445 k( 185) = ( 0.0000000 0.0111111 0.5000000), wk = 0.0025445 k( 186) = ( 0.0000000 0.0222222 0.5000000), wk = 0.0025445 k( 187) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0025445 k( 188) = ( 0.0000000 0.0444444 0.5000000), wk = 0.0025445 k( 189) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0025445 k( 190) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0025445 k( 191) = ( 0.0000000 0.0777778 0.5000000), wk = 0.0025445 k( 192) = ( 0.0000000 0.0888889 0.5000000), wk = 0.0025445 k( 193) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0025445 k( 194) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0025445 k( 195) = ( 0.0000000 0.1222222 0.5000000), wk = 0.0025445 k( 196) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0025445 k( 197) = ( 0.0000000 0.1444444 0.5000000), wk = 0.0025445 k( 198) = ( 0.0000000 0.1555556 0.5000000), wk = 0.0025445 k( 199) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0025445 k( 200) = ( 0.0000000 0.1777778 0.5000000), wk = 0.0025445 k( 201) = ( 0.0000000 0.1888889 0.5000000), wk = 0.0025445 k( 202) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0025445 k( 203) = ( 0.0000000 0.2111111 0.5000000), wk = 0.0025445 k( 204) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0025445 k( 205) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0025445 k( 206) = ( 0.0000000 0.2444444 0.5000000), wk = 0.0025445 k( 207) = ( 0.0000000 0.2555556 0.5000000), wk = 0.0025445 k( 208) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0025445 k( 209) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0025445 k( 210) = ( 0.0000000 0.2888889 0.5000000), wk = 0.0025445 k( 211) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0025445 k( 212) = ( 0.0000000 0.3111111 0.5000000), wk = 0.0025445 k( 213) = ( 0.0000000 0.3222222 0.5000000), wk = 0.0025445 k( 214) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0025445 k( 215) = ( 0.0000000 0.3444444 0.5000000), wk = 0.0025445 k( 216) = ( 0.0000000 0.3555556 0.5000000), wk = 0.0025445 k( 217) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0025445 k( 218) = ( 0.0000000 0.3777778 0.5000000), wk = 0.0025445 k( 219) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0025445 k( 220) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0025445 k( 221) = ( 0.0000000 0.4111111 0.5000000), wk = 0.0025445 k( 222) = ( 0.0000000 0.4222222 0.5000000), wk = 0.0025445 k( 223) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0025445 k( 224) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0025445 k( 225) = ( 0.0000000 0.4555556 0.5000000), wk = 0.0025445 k( 226) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0025445 k( 227) = ( 0.0000000 0.4777778 0.5000000), wk = 0.0025445 k( 228) = ( 0.0000000 0.4888889 0.5000000), wk = 0.0025445 k( 229) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025445 k( 230) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025445 k( 231) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0025445 k( 232) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0025445 k( 233) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0025445 k( 234) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0025445 k( 235) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0025445 k( 236) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0025445 k( 237) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0025445 k( 238) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0025445 k( 239) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0025445 k( 240) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0025445 k( 241) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0025445 k( 242) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0025445 k( 243) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0025445 k( 244) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0025445 k( 245) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0025445 k( 246) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0025445 k( 247) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0025445 k( 248) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0025445 k( 249) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0025445 k( 250) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0025445 k( 251) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0025445 k( 252) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0025445 k( 253) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0025445 k( 254) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0025445 k( 255) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0025445 k( 256) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0025445 k( 257) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0025445 k( 258) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0025445 k( 259) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0025445 k( 260) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0025445 k( 261) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0025445 k( 262) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0025445 k( 263) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0025445 k( 264) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0025445 k( 265) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0025445 k( 266) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0025445 k( 267) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0025445 k( 268) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0025445 k( 269) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0025445 k( 270) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0025445 k( 271) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0025445 k( 272) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0025445 k( 273) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0025445 k( 274) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0025445 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025445 k( 276) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025445 k( 277) = ( 0.4920635 0.4920635 0.5000000), wk = 0.0025445 k( 278) = ( 0.4841270 0.4841270 0.5000000), wk = 0.0025445 k( 279) = ( 0.4761905 0.4761905 0.5000000), wk = 0.0025445 k( 280) = ( 0.4682540 0.4682540 0.5000000), wk = 0.0025445 k( 281) = ( 0.4603175 0.4603175 0.5000000), wk = 0.0025445 k( 282) = ( 0.4523810 0.4523810 0.5000000), wk = 0.0025445 k( 283) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0025445 k( 284) = ( 0.4365079 0.4365079 0.5000000), wk = 0.0025445 k( 285) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0025445 k( 286) = ( 0.4206349 0.4206349 0.5000000), wk = 0.0025445 k( 287) = ( 0.4126984 0.4126984 0.5000000), wk = 0.0025445 k( 288) = ( 0.4047619 0.4047619 0.5000000), wk = 0.0025445 k( 289) = ( 0.3968254 0.3968254 0.5000000), wk = 0.0025445 k( 290) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0025445 k( 291) = ( 0.3809524 0.3809524 0.5000000), wk = 0.0025445 k( 292) = ( 0.3730159 0.3730159 0.5000000), wk = 0.0025445 k( 293) = ( 0.3650794 0.3650794 0.5000000), wk = 0.0025445 k( 294) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0025445 k( 295) = ( 0.3492063 0.3492063 0.5000000), wk = 0.0025445 k( 296) = ( 0.3412698 0.3412698 0.5000000), wk = 0.0025445 k( 297) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025445 k( 298) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0025445 k( 299) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0025445 k( 300) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0025445 k( 301) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0025445 k( 302) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0025445 k( 303) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0025445 k( 304) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0025445 k( 305) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0025445 k( 306) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0025445 k( 307) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0025445 k( 308) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0025445 k( 309) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0025445 k( 310) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0025445 k( 311) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0025445 k( 312) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0025445 k( 313) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0025445 k( 314) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0025445 k( 315) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0025445 k( 316) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0025445 k( 317) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0025445 k( 318) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0025445 k( 319) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0025445 k( 320) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0025445 k( 321) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0025445 k( 322) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0025445 k( 323) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0025445 k( 324) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0025445 k( 325) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0025445 k( 326) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0025445 k( 327) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0025445 k( 328) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0025445 k( 329) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0025445 k( 330) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0025445 k( 331) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0025445 k( 332) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0025445 k( 333) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0025445 k( 334) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0025445 k( 335) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0025445 k( 336) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0025445 k( 337) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0025445 k( 338) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0025445 k( 339) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025445 k( 340) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025445 k( 341) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0025445 k( 342) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0025445 k( 343) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0025445 k( 344) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0025445 k( 345) = ( 0.0000000 0.5000000 0.0961538), wk = 0.0025445 k( 346) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0025445 k( 347) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0025445 k( 348) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0025445 k( 349) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0025445 k( 350) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0025445 k( 351) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0025445 k( 352) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0025445 k( 353) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025445 k( 354) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0025445 k( 355) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0025445 k( 356) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0025445 k( 357) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0025445 k( 358) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0025445 k( 359) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0025445 k( 360) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0025445 k( 361) = ( 0.0000000 0.5000000 0.4038462), wk = 0.0025445 k( 362) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0025445 k( 363) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0025445 k( 364) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0025445 k( 365) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0025445 k( 366) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025445 k( 367) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025445 k( 368) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0025445 k( 369) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0025445 k( 370) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0025445 k( 371) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0025445 k( 372) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0025445 k( 373) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0025445 k( 374) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0025445 k( 375) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0025445 k( 376) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0025445 k( 377) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0025445 k( 378) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0025445 k( 379) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0025445 k( 380) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025445 k( 381) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0025445 k( 382) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0025445 k( 383) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0025445 k( 384) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0025445 k( 385) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0025445 k( 386) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0025445 k( 387) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0025445 k( 388) = ( 0.5000000 0.5000000 0.4038462), wk = 0.0025445 k( 389) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0025445 k( 390) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0025445 k( 391) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0025445 k( 392) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0025445 k( 393) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025445 Dense grid: 50089 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 25009 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 190, 48) NL pseudopotentials 0.18 Mb ( 95, 124) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1393) G-vector shells 0.01 Mb ( 712) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 190, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.18 Mb ( 124, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./KAlF4.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 4.8 secs Computing kpt #: 11 total cpu time spent up to now is 5.1 secs Computing kpt #: 12 total cpu time spent up to now is 5.4 secs Computing kpt #: 13 total cpu time spent up to now is 5.6 secs Computing kpt #: 14 total cpu time spent up to now is 5.9 secs Computing kpt #: 15 total cpu time spent up to now is 6.1 secs Computing kpt #: 16 total cpu time spent up to now is 6.4 secs Computing kpt #: 17 total cpu time spent up to now is 6.7 secs Computing kpt #: 18 total cpu time spent up to now is 6.9 secs Computing kpt #: 19 total cpu time spent up to now is 7.2 secs Computing kpt #: 20 total cpu time spent up to now is 7.5 secs Computing kpt #: 21 total cpu time spent up to now is 7.7 secs Computing kpt #: 22 total cpu time spent up to now is 8.0 secs Computing kpt #: 23 total cpu time spent up to now is 8.3 secs Computing kpt #: 24 total cpu time spent up to now is 8.5 secs Computing kpt #: 25 total cpu time spent up to now is 8.8 secs Computing kpt #: 26 total cpu time spent up to now is 9.0 secs Computing kpt #: 27 total cpu time spent up to now is 9.3 secs Computing kpt #: 28 total cpu time spent up to now is 9.6 secs Computing kpt #: 29 total cpu time spent up to now is 9.8 secs Computing kpt #: 30 total cpu time spent up to now is 10.1 secs Computing kpt #: 31 total cpu time spent up to now is 10.4 secs Computing kpt #: 32 total cpu time spent up to now is 10.7 secs Computing kpt #: 33 total cpu time spent up to now is 10.9 secs Computing kpt #: 34 total cpu time spent up to now is 11.2 secs Computing kpt #: 35 total cpu time spent up to now is 11.4 secs Computing kpt #: 36 total cpu time spent up to now is 11.7 secs Computing kpt #: 37 total cpu time spent up to now is 12.0 secs Computing kpt #: 38 total cpu time spent up to now is 12.2 secs Computing kpt #: 39 total cpu time spent up to now is 12.5 secs Computing kpt #: 40 total cpu time spent up to now is 12.7 secs Computing kpt #: 41 total cpu time spent up to now is 13.0 secs Computing kpt #: 42 total cpu time spent up to now is 13.2 secs Computing kpt #: 43 total cpu time spent up to now is 13.5 secs Computing kpt #: 44 total cpu time spent up to now is 13.7 secs Computing kpt #: 45 total cpu time spent up to now is 14.0 secs Computing kpt #: 46 total cpu time spent up to now is 14.2 secs Computing kpt #: 47 total cpu time spent up to now is 14.5 secs Computing kpt #: 48 total cpu time spent up to now is 14.7 secs Computing kpt #: 49 total cpu time spent up to now is 15.0 secs Computing kpt #: 50 total cpu time spent up to now is 15.3 secs Computing kpt #: 51 total cpu time spent up to now is 15.5 secs Computing kpt #: 52 total cpu time spent up to now is 15.8 secs Computing kpt #: 53 total cpu time spent up to now is 16.0 secs Computing kpt #: 54 total cpu time spent up to now is 16.3 secs Computing kpt #: 55 total cpu time spent up to now is 16.6 secs Computing kpt #: 56 total cpu time spent up to now is 16.8 secs Computing kpt #: 57 total cpu time spent up to now is 17.1 secs Computing kpt #: 58 total cpu time spent up to now is 17.4 secs Computing kpt #: 59 total cpu time spent up to now is 17.7 secs Computing kpt #: 60 total cpu time spent up to now is 17.9 secs Computing kpt #: 61 total cpu time spent up to now is 18.2 secs Computing kpt #: 62 total cpu time spent up to now is 18.5 secs Computing kpt #: 63 total cpu time spent up to now is 18.8 secs Computing kpt #: 64 total cpu time spent up to now is 19.1 secs Computing kpt #: 65 total cpu time spent up to now is 19.4 secs Computing kpt #: 66 total cpu time spent up to now is 19.7 secs Computing kpt #: 67 total cpu time spent up to now is 20.0 secs Computing kpt #: 68 total cpu time spent up to now is 20.3 secs Computing kpt #: 69 total cpu time spent up to now is 20.6 secs Computing kpt #: 70 total cpu time spent up to now is 20.9 secs Computing kpt #: 71 total cpu time spent up to now is 21.2 secs Computing kpt #: 72 total cpu time spent up to now is 21.5 secs Computing kpt #: 73 total cpu time spent up to now is 21.8 secs Computing kpt #: 74 total cpu time spent up to now is 22.2 secs Computing kpt #: 75 total cpu time spent up to now is 22.5 secs Computing kpt #: 76 total cpu time spent up to now is 22.8 secs Computing kpt #: 77 total cpu time spent up to now is 23.1 secs Computing kpt #: 78 total cpu time spent up to now is 23.3 secs Computing kpt #: 79 total cpu time spent up to now is 23.6 secs Computing kpt #: 80 total cpu time spent up to now is 23.9 secs Computing kpt #: 81 total cpu time spent up to now is 24.2 secs Computing kpt #: 82 total cpu time spent up to now is 24.5 secs Computing kpt #: 83 total cpu time spent up to now is 24.7 secs Computing kpt #: 84 total cpu time spent up to now is 25.0 secs Computing kpt #: 85 total cpu time spent up to now is 25.3 secs Computing kpt #: 86 total cpu time spent up to now is 25.6 secs Computing kpt #: 87 total cpu time spent up to now is 25.8 secs Computing kpt #: 88 total cpu time spent up to now is 26.1 secs Computing kpt #: 89 total cpu time spent up to now is 26.4 secs Computing kpt #: 90 total cpu time spent up to now is 26.6 secs Computing kpt #: 91 total cpu time spent up to now is 26.9 secs Computing kpt #: 92 total cpu time spent up to now is 27.2 secs Computing kpt #: 93 total cpu time spent up to now is 27.5 secs Computing kpt #: 94 total cpu time spent up to now is 27.8 secs Computing kpt #: 95 total cpu time spent up to now is 28.1 secs Computing kpt #: 96 total cpu time spent up to now is 28.3 secs Computing kpt #: 97 total cpu time spent up to now is 28.6 secs Computing kpt #: 98 total cpu time spent up to now is 28.9 secs Computing kpt #: 99 total cpu time spent up to now is 29.2 secs Computing kpt #: 100 total cpu time spent up to now is 29.4 secs Computing kpt #: 101 total cpu time spent up to now is 29.7 secs Computing kpt #: 102 total cpu time spent up to now is 30.0 secs Computing kpt #: 103 total cpu time spent up to now is 30.3 secs Computing kpt #: 104 total cpu time spent up to now is 30.6 secs Computing kpt #: 105 total cpu time spent up to now is 30.9 secs Computing kpt #: 106 total cpu time spent up to now is 31.1 secs Computing kpt #: 107 total cpu time spent up to now is 31.4 secs Computing kpt #: 108 total cpu time spent up to now is 31.7 secs Computing kpt #: 109 total cpu time spent up to now is 32.0 secs Computing kpt #: 110 total cpu time spent up to now is 32.3 secs Computing kpt #: 111 total cpu time spent up to now is 32.6 secs Computing kpt #: 112 total cpu time spent up to now is 33.0 secs Computing kpt #: 113 total cpu time spent up to now is 33.3 secs Computing kpt #: 114 total cpu time spent up to now is 33.6 secs Computing kpt #: 115 total cpu time spent up to now is 34.0 secs Computing kpt #: 116 total cpu time spent up to now is 34.3 secs Computing kpt #: 117 total cpu time spent up to now is 34.6 secs Computing kpt #: 118 total cpu time spent up to now is 34.9 secs Computing kpt #: 119 total cpu time spent up to now is 35.3 secs Computing kpt #: 120 total cpu time spent up to now is 35.6 secs Computing kpt #: 121 total cpu time spent up to now is 35.9 secs Computing kpt #: 122 total cpu time spent up to now is 36.2 secs Computing kpt #: 123 total cpu time spent up to now is 39.4 secs Computing kpt #: 124 total cpu time spent up to now is 39.7 secs Computing kpt #: 125 total cpu time spent up to now is 40.0 secs Computing kpt #: 126 total cpu time spent up to now is 40.2 secs Computing kpt #: 127 total cpu time spent up to now is 40.5 secs Computing kpt #: 128 total cpu time spent up to now is 40.8 secs Computing kpt #: 129 total cpu time spent up to now is 41.1 secs Computing kpt #: 130 total cpu time spent up to now is 41.3 secs Computing kpt #: 131 total cpu time spent up to now is 41.6 secs Computing kpt #: 132 total cpu time spent up to now is 41.9 secs Computing kpt #: 133 total cpu time spent up to now is 42.1 secs Computing kpt #: 134 total cpu time spent up to now is 42.4 secs Computing kpt #: 135 total cpu time spent up to now is 42.6 secs Computing kpt #: 136 total cpu time spent up to now is 42.9 secs Computing kpt #: 137 total cpu time spent up to now is 43.2 secs Computing kpt #: 138 total cpu time spent up to now is 43.4 secs Computing kpt #: 139 total cpu time spent up to now is 43.7 secs Computing kpt #: 140 total cpu time spent up to now is 44.0 secs Computing kpt #: 141 total cpu time spent up to now is 44.2 secs Computing kpt #: 142 total cpu time spent up to now is 44.5 secs Computing kpt #: 143 total cpu time spent up to now is 44.7 secs Computing kpt #: 144 total cpu time spent up to now is 45.0 secs Computing kpt #: 145 total cpu time spent up to now is 45.3 secs Computing kpt #: 146 total cpu time spent up to now is 45.6 secs Computing kpt #: 147 total cpu time spent up to now is 45.9 secs Computing kpt #: 148 total cpu time spent up to now is 46.1 secs Computing kpt #: 149 total cpu time spent up to now is 46.4 secs Computing kpt #: 150 total cpu time spent up to now is 46.7 secs Computing kpt #: 151 total cpu time spent up to now is 47.0 secs Computing kpt #: 152 total cpu time spent up to now is 47.3 secs Computing kpt #: 153 total cpu time spent up to now is 47.5 secs Computing kpt #: 154 total cpu time spent up to now is 47.8 secs Computing kpt #: 155 total cpu time spent up to now is 48.1 secs Computing kpt #: 156 total cpu time spent up to now is 48.3 secs Computing kpt #: 157 total cpu time spent up to now is 48.5 secs Computing kpt #: 158 total cpu time spent up to now is 48.8 secs Computing kpt #: 159 total cpu time spent up to now is 49.1 secs Computing kpt #: 160 total cpu time spent up to now is 49.3 secs Computing kpt #: 161 total cpu time spent up to now is 49.6 secs Computing kpt #: 162 total cpu time spent up to now is 49.9 secs Computing kpt #: 163 total cpu time spent up to now is 50.1 secs Computing kpt #: 164 total cpu time spent up to now is 50.4 secs Computing kpt #: 165 total cpu time spent up to now is 50.7 secs Computing kpt #: 166 total cpu time spent up to now is 50.9 secs Computing kpt #: 167 total cpu time spent up to now is 51.2 secs Computing kpt #: 168 total cpu time spent up to now is 51.4 secs Computing kpt #: 169 total cpu time spent up to now is 51.7 secs Computing kpt #: 170 total cpu time spent up to now is 51.9 secs Computing kpt #: 171 total cpu time spent up to now is 52.2 secs Computing kpt #: 172 total cpu time spent up to now is 52.4 secs Computing kpt #: 173 total cpu time spent up to now is 52.7 secs Computing kpt #: 174 total cpu time spent up to now is 52.9 secs Computing kpt #: 175 total cpu time spent up to now is 53.2 secs Computing kpt #: 176 total cpu time spent up to now is 53.4 secs Computing kpt #: 177 total cpu time spent up to now is 53.7 secs Computing kpt #: 178 total cpu time spent up to now is 53.9 secs Computing kpt #: 179 total cpu time spent up to now is 54.2 secs Computing kpt #: 180 total cpu time spent up to now is 54.4 secs Computing kpt #: 181 total cpu time spent up to now is 54.7 secs Computing kpt #: 182 total cpu time spent up to now is 54.9 secs Computing kpt #: 183 total cpu time spent up to now is 55.2 secs Computing kpt #: 184 total cpu time spent up to now is 55.4 secs Computing kpt #: 185 total cpu time spent up to now is 55.7 secs Computing kpt #: 186 total cpu time spent up to now is 55.9 secs Computing kpt #: 187 total cpu time spent up to now is 56.2 secs Computing kpt #: 188 total cpu time spent up to now is 56.4 secs Computing kpt #: 189 total cpu time spent up to now is 56.7 secs Computing kpt #: 190 total cpu time spent up to now is 56.9 secs Computing kpt #: 191 total cpu time spent up to now is 57.2 secs Computing kpt #: 192 total cpu time spent up to now is 57.4 secs Computing kpt #: 193 total cpu time spent up to now is 57.7 secs Computing kpt #: 194 total cpu time spent up to now is 58.0 secs Computing kpt #: 195 total cpu time spent up to now is 58.2 secs Computing kpt #: 196 total cpu time spent up to now is 58.5 secs Computing kpt #: 197 total cpu time spent up to now is 58.8 secs Computing kpt #: 198 total cpu time spent up to now is 59.0 secs Computing kpt #: 199 total cpu time spent up to now is 59.3 secs Computing kpt #: 200 total cpu time spent up to now is 59.6 secs Computing kpt #: 201 total cpu time spent up to now is 59.8 secs Computing kpt #: 202 total cpu time spent up to now is 60.1 secs Computing kpt #: 203 total cpu time spent up to now is 60.4 secs Computing kpt #: 204 total cpu time spent up to now is 60.7 secs Computing kpt #: 205 total cpu time spent up to now is 61.0 secs Computing kpt #: 206 total cpu time spent up to now is 61.3 secs Computing kpt #: 207 total cpu time spent up to now is 61.6 secs Computing kpt #: 208 total cpu time spent up to now is 61.9 secs Computing kpt #: 209 total cpu time spent up to now is 62.2 secs Computing kpt #: 210 total cpu time spent up to now is 62.5 secs Computing kpt #: 211 total cpu time spent up to now is 62.8 secs Computing kpt #: 212 total cpu time spent up to now is 63.1 secs Computing kpt #: 213 total cpu time spent up to now is 63.5 secs Computing kpt #: 214 total cpu time spent up to now is 63.8 secs Computing kpt #: 215 total cpu time spent up to now is 64.1 secs Computing kpt #: 216 total cpu time spent up to now is 64.4 secs Computing kpt #: 217 total cpu time spent up to now is 64.7 secs Computing kpt #: 218 total cpu time spent up to now is 65.1 secs Computing kpt #: 219 total cpu time spent up to now is 65.3 secs Computing kpt #: 220 total cpu time spent up to now is 65.6 secs Computing kpt #: 221 total cpu time spent up to now is 65.9 secs Computing kpt #: 222 total cpu time spent up to now is 66.2 secs Computing kpt #: 223 total cpu time spent up to now is 66.5 secs Computing kpt #: 224 total cpu time spent up to now is 66.8 secs Computing kpt #: 225 total cpu time spent up to now is 67.1 secs Computing kpt #: 226 total cpu time spent up to now is 67.4 secs Computing kpt #: 227 total cpu time spent up to now is 67.6 secs Computing kpt #: 228 total cpu time spent up to now is 67.9 secs Computing kpt #: 229 total cpu time spent up to now is 68.2 secs Computing kpt #: 230 total cpu time spent up to now is 68.5 secs Computing kpt #: 231 total cpu time spent up to now is 68.8 secs Computing kpt #: 232 total cpu time spent up to now is 69.1 secs Computing kpt #: 233 total cpu time spent up to now is 69.4 secs Computing kpt #: 234 total cpu time spent up to now is 69.7 secs Computing kpt #: 235 total cpu time spent up to now is 70.0 secs Computing kpt #: 236 total cpu time spent up to now is 70.3 secs Computing kpt #: 237 total cpu time spent up to now is 70.6 secs Computing kpt #: 238 total cpu time spent up to now is 70.9 secs Computing kpt #: 239 total cpu time spent up to now is 71.2 secs Computing kpt #: 240 total cpu time spent up to now is 71.5 secs Computing kpt #: 241 total cpu time spent up to now is 71.8 secs Computing kpt #: 242 total cpu time spent up to now is 72.1 secs Computing kpt #: 243 total cpu time spent up to now is 72.5 secs Computing kpt #: 244 total cpu time spent up to now is 72.8 secs Computing kpt #: 245 total cpu time spent up to now is 73.1 secs Computing kpt #: 246 total cpu time spent up to now is 73.5 secs Computing kpt #: 247 total cpu time spent up to now is 73.8 secs Computing kpt #: 248 total cpu time spent up to now is 74.1 secs Computing kpt #: 249 total cpu time spent up to now is 74.4 secs Computing kpt #: 250 total cpu time spent up to now is 74.7 secs Computing kpt #: 251 total cpu time spent up to now is 75.0 secs Computing kpt #: 252 total cpu time spent up to now is 75.3 secs Computing kpt #: 253 total cpu time spent up to now is 75.6 secs Computing kpt #: 254 total cpu time spent up to now is 75.9 secs Computing kpt #: 255 total cpu time spent up to now is 76.3 secs Computing kpt #: 256 total cpu time spent up to now is 76.6 secs Computing kpt #: 257 total cpu time spent up to now is 76.9 secs Computing kpt #: 258 total cpu time spent up to now is 77.2 secs Computing kpt #: 259 total cpu time spent up to now is 77.5 secs Computing kpt #: 260 total cpu time spent up to now is 77.8 secs Computing kpt #: 261 total cpu time spent up to now is 78.0 secs Computing kpt #: 262 total cpu time spent up to now is 78.3 secs Computing kpt #: 263 total cpu time spent up to now is 78.6 secs Computing kpt #: 264 total cpu time spent up to now is 78.9 secs Computing kpt #: 265 total cpu time spent up to now is 79.1 secs Computing kpt #: 266 total cpu time spent up to now is 79.4 secs Computing kpt #: 267 total cpu time spent up to now is 79.7 secs Computing kpt #: 268 total cpu time spent up to now is 80.0 secs Computing kpt #: 269 total cpu time spent up to now is 80.2 secs Computing kpt #: 270 total cpu time spent up to now is 80.5 secs Computing kpt #: 271 total cpu time spent up to now is 80.8 secs Computing kpt #: 272 total cpu time spent up to now is 81.0 secs Computing kpt #: 273 total cpu time spent up to now is 81.3 secs Computing kpt #: 274 total cpu time spent up to now is 81.6 secs Computing kpt #: 275 total cpu time spent up to now is 81.8 secs Computing kpt #: 276 total cpu time spent up to now is 82.1 secs Computing kpt #: 277 total cpu time spent up to now is 82.3 secs Computing kpt #: 278 total cpu time spent up to now is 82.6 secs Computing kpt #: 279 total cpu time spent up to now is 82.9 secs Computing kpt #: 280 total cpu time spent up to now is 83.1 secs Computing kpt #: 281 total cpu time spent up to now is 83.4 secs Computing kpt #: 282 total cpu time spent up to now is 83.7 secs Computing kpt #: 283 total cpu time spent up to now is 83.9 secs Computing kpt #: 284 total cpu time spent up to now is 84.2 secs Computing kpt #: 285 total cpu time spent up to now is 84.5 secs Computing kpt #: 286 total cpu time spent up to now is 84.7 secs Computing kpt #: 287 total cpu time spent up to now is 85.0 secs Computing kpt #: 288 total cpu time spent up to now is 85.3 secs Computing kpt #: 289 total cpu time spent up to now is 85.6 secs Computing kpt #: 290 total cpu time spent up to now is 85.9 secs Computing kpt #: 291 total cpu time spent up to now is 86.1 secs Computing kpt #: 292 total cpu time spent up to now is 86.4 secs Computing kpt #: 293 total cpu time spent up to now is 86.7 secs Computing kpt #: 294 total cpu time spent up to now is 87.0 secs Computing kpt #: 295 total cpu time spent up to now is 87.3 secs Computing kpt #: 296 total cpu time spent up to now is 87.6 secs Computing kpt #: 297 total cpu time spent up to now is 87.9 secs Computing kpt #: 298 total cpu time spent up to now is 88.2 secs Computing kpt #: 299 total cpu time spent up to now is 88.5 secs Computing kpt #: 300 total cpu time spent up to now is 88.8 secs Computing kpt #: 301 total cpu time spent up to now is 89.2 secs Computing kpt #: 302 total cpu time spent up to now is 89.5 secs Computing kpt #: 303 total cpu time spent up to now is 89.8 secs Computing kpt #: 304 total cpu time spent up to now is 90.1 secs Computing kpt #: 305 total cpu time spent up to now is 90.4 secs Computing kpt #: 306 total cpu time spent up to now is 90.7 secs Computing kpt #: 307 total cpu time spent up to now is 91.0 secs Computing kpt #: 308 total cpu time spent up to now is 91.3 secs Computing kpt #: 309 total cpu time spent up to now is 91.6 secs Computing kpt #: 310 total cpu time spent up to now is 91.9 secs Computing kpt #: 311 total cpu time spent up to now is 92.2 secs Computing kpt #: 312 total cpu time spent up to now is 92.5 secs Computing kpt #: 313 total cpu time spent up to now is 92.8 secs Computing kpt #: 314 total cpu time spent up to now is 93.1 secs Computing kpt #: 315 total cpu time spent up to now is 93.4 secs Computing kpt #: 316 total cpu time spent up to now is 93.7 secs Computing kpt #: 317 total cpu time spent up to now is 94.0 secs Computing kpt #: 318 total cpu time spent up to now is 94.3 secs Computing kpt #: 319 total cpu time spent up to now is 94.6 secs Computing kpt #: 320 total cpu time spent up to now is 94.8 secs Computing kpt #: 321 total cpu time spent up to now is 95.1 secs Computing kpt #: 322 total cpu time spent up to now is 95.4 secs Computing kpt #: 323 total cpu time spent up to now is 95.7 secs Computing kpt #: 324 total cpu time spent up to now is 96.0 secs Computing kpt #: 325 total cpu time spent up to now is 96.3 secs Computing kpt #: 326 total cpu time spent up to now is 96.5 secs Computing kpt #: 327 total cpu time spent up to now is 96.8 secs Computing kpt #: 328 total cpu time spent up to now is 97.1 secs Computing kpt #: 329 total cpu time spent up to now is 97.4 secs Computing kpt #: 330 total cpu time spent up to now is 97.6 secs Computing kpt #: 331 total cpu time spent up to now is 97.9 secs Computing kpt #: 332 total cpu time spent up to now is 98.2 secs Computing kpt #: 333 total cpu time spent up to now is 98.4 secs Computing kpt #: 334 total cpu time spent up to now is 98.7 secs Computing kpt #: 335 total cpu time spent up to now is 98.9 secs Computing kpt #: 336 total cpu time spent up to now is 99.2 secs Computing kpt #: 337 total cpu time spent up to now is 99.5 secs Computing kpt #: 338 total cpu time spent up to now is 99.7 secs Computing kpt #: 339 total cpu time spent up to now is 99.9 secs Computing kpt #: 340 total cpu time spent up to now is 100.2 secs Computing kpt #: 341 total cpu time spent up to now is 100.5 secs Computing kpt #: 342 total cpu time spent up to now is 100.7 secs Computing kpt #: 343 total cpu time spent up to now is 101.0 secs Computing kpt #: 344 total cpu time spent up to now is 101.2 secs Computing kpt #: 345 total cpu time spent up to now is 101.5 secs Computing kpt #: 346 total cpu time spent up to now is 101.7 secs Computing kpt #: 347 total cpu time spent up to now is 102.0 secs Computing kpt #: 348 total cpu time spent up to now is 102.2 secs Computing kpt #: 349 total cpu time spent up to now is 102.5 secs Computing kpt #: 350 total cpu time spent up to now is 102.7 secs Computing kpt #: 351 total cpu time spent up to now is 103.0 secs Computing kpt #: 352 total cpu time spent up to now is 103.3 secs Computing kpt #: 353 total cpu time spent up to now is 103.5 secs Computing kpt #: 354 total cpu time spent up to now is 103.8 secs Computing kpt #: 355 total cpu time spent up to now is 104.1 secs Computing kpt #: 356 total cpu time spent up to now is 104.3 secs Computing kpt #: 357 total cpu time spent up to now is 104.6 secs Computing kpt #: 358 total cpu time spent up to now is 104.9 secs Computing kpt #: 359 total cpu time spent up to now is 105.1 secs Computing kpt #: 360 total cpu time spent up to now is 105.5 secs Computing kpt #: 361 total cpu time spent up to now is 105.8 secs Computing kpt #: 362 total cpu time spent up to now is 106.1 secs Computing kpt #: 363 total cpu time spent up to now is 106.4 secs Computing kpt #: 364 total cpu time spent up to now is 106.7 secs Computing kpt #: 365 total cpu time spent up to now is 107.0 secs Computing kpt #: 366 total cpu time spent up to now is 107.3 secs Computing kpt #: 367 total cpu time spent up to now is 107.6 secs Computing kpt #: 368 total cpu time spent up to now is 107.9 secs Computing kpt #: 369 total cpu time spent up to now is 108.2 secs Computing kpt #: 370 total cpu time spent up to now is 108.5 secs Computing kpt #: 371 total cpu time spent up to now is 108.7 secs Computing kpt #: 372 total cpu time spent up to now is 109.0 secs Computing kpt #: 373 total cpu time spent up to now is 109.3 secs Computing kpt #: 374 total cpu time spent up to now is 109.6 secs Computing kpt #: 375 total cpu time spent up to now is 109.9 secs Computing kpt #: 376 total cpu time spent up to now is 110.1 secs Computing kpt #: 377 total cpu time spent up to now is 110.4 secs Computing kpt #: 378 total cpu time spent up to now is 110.7 secs Computing kpt #: 379 total cpu time spent up to now is 111.0 secs Computing kpt #: 380 total cpu time spent up to now is 111.3 secs Computing kpt #: 381 total cpu time spent up to now is 111.5 secs Computing kpt #: 382 total cpu time spent up to now is 111.8 secs Computing kpt #: 383 total cpu time spent up to now is 112.1 secs Computing kpt #: 384 total cpu time spent up to now is 112.3 secs Computing kpt #: 385 total cpu time spent up to now is 112.6 secs Computing kpt #: 386 total cpu time spent up to now is 112.9 secs Computing kpt #: 387 total cpu time spent up to now is 113.1 secs Computing kpt #: 388 total cpu time spent up to now is 113.4 secs Computing kpt #: 389 total cpu time spent up to now is 113.7 secs Computing kpt #: 390 total cpu time spent up to now is 113.9 secs Computing kpt #: 391 total cpu time spent up to now is 114.2 secs Computing kpt #: 392 total cpu time spent up to now is 114.5 secs Computing kpt #: 393 total cpu time spent up to now is 114.7 secs ethr = 2.50E-08, avg # of iterations = 17.7 total cpu time spent up to now is 114.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3107 PWs) bands (ev): -24.1239 -24.1239 -20.2575 -20.2575 -18.9679 -18.9679 -17.7279 -17.7279 -17.7257 -17.7257 -7.6775 -7.6775 -7.4077 -7.4077 -7.3135 -7.3135 -3.1530 -3.1530 -3.1413 -3.1413 -1.4525 -1.4525 -0.7990 -0.7990 0.2823 0.2823 0.4563 0.4563 0.4886 0.4886 1.1832 1.1832 1.2210 1.2210 1.3963 1.3963 1.4516 1.4516 1.4662 1.4662 9.1706 9.1706 11.4976 11.4976 12.3331 12.3331 13.7712 13.7712 k = 0.0000 0.0111-0.0000 ( 3113 PWs) bands (ev): -24.1239 -24.1239 -20.2571 -20.2571 -18.9682 -18.9682 -17.7280 -17.7280 -17.7256 -17.7256 -7.6775 -7.6775 -7.4078 -7.4078 -7.3138 -7.3138 -3.1530 -3.1530 -3.1413 -3.1413 -1.4522 -1.4522 -0.7983 -0.7983 0.2808 0.2808 0.4555 0.4555 0.4879 0.4879 1.1833 1.1833 1.2210 1.2210 1.3967 1.3967 1.4516 1.4516 1.4656 1.4656 9.1733 9.1733 11.4993 11.4993 12.3340 12.3340 13.7695 13.7695 k = 0.0000 0.0222-0.0000 ( 3121 PWs) bands (ev): -24.1237 -24.1237 -20.2558 -20.2558 -18.9691 -18.9691 -17.7283 -17.7283 -17.7255 -17.7255 -7.6778 -7.6778 -7.4082 -7.4082 -7.3143 -7.3143 -3.1532 -3.1532 -3.1411 -3.1411 -1.4515 -1.4515 -0.7962 -0.7962 0.2762 0.2762 0.4532 0.4532 0.4855 0.4855 1.1836 1.1836 1.2209 1.2209 1.3977 1.3977 1.4516 1.4516 1.4639 1.4639 9.1814 9.1814 11.5044 11.5044 12.3367 12.3367 13.7646 13.7646 k = 0.0000 0.0333-0.0000 ( 3121 PWs) bands (ev): -24.1233 -24.1233 -20.2537 -20.2537 -18.9706 -18.9706 -17.7287 -17.7287 -17.7252 -17.7252 -7.6782 -7.6782 -7.4090 -7.4090 -7.3152 -7.3152 -3.1541 -3.1541 -3.1402 -3.1402 -1.4501 -1.4501 -0.7927 -0.7927 0.2687 0.2687 0.4494 0.4494 0.4817 0.4817 1.1841 1.1841 1.2207 1.2207 1.3988 1.3988 1.4517 1.4517 1.4617 1.4617 9.1948 9.1948 11.5129 11.5129 12.3412 12.3412 13.7565 13.7565 k = 0.0000 0.0444-0.0000 ( 3121 PWs) bands (ev): -24.1229 -24.1229 -20.2508 -20.2508 -18.9728 -18.9728 -17.7294 -17.7294 -17.7248 -17.7248 -7.6787 -7.6787 -7.4100 -7.4100 -7.3165 -7.3165 -3.1560 -3.1560 -3.1383 -3.1383 -1.4483 -1.4483 -0.7878 -0.7878 0.2584 0.2584 0.4442 0.4442 0.4763 0.4763 1.1848 1.1848 1.2205 1.2205 1.3990 1.3990 1.4514 1.4514 1.4603 1.4603 9.2135 9.2135 11.5246 11.5246 12.3475 12.3475 13.7452 13.7452 k = 0.0000 0.0556-0.0000 ( 3121 PWs) bands (ev): -24.1223 -24.1223 -20.2470 -20.2470 -18.9756 -18.9756 -17.7302 -17.7302 -17.7244 -17.7244 -7.6794 -7.6794 -7.4114 -7.4114 -7.3179 -7.3179 -3.1591 -3.1591 -3.1352 -3.1352 -1.4459 -1.4459 -0.7817 -0.7817 0.2454 0.2454 0.4374 0.4374 0.4694 0.4694 1.1856 1.1856 1.2203 1.2203 1.3972 1.3972 1.4497 1.4497 1.4618 1.4618 9.2373 9.2373 11.5395 11.5395 12.3558 12.3558 13.7308 13.7308 k = 0.0000 0.0667-0.0000 ( 3123 PWs) bands (ev): -24.1216 -24.1216 -20.2424 -20.2424 -18.9790 -18.9790 -17.7313 -17.7313 -17.7238 -17.7238 -7.6802 -7.6802 -7.4132 -7.4132 -7.3196 -7.3196 -3.1631 -3.1631 -3.1311 -3.1311 -1.4430 -1.4430 -0.7743 -0.7743 0.2299 0.2299 0.4292 0.4292 0.4611 0.4611 1.1865 1.1865 1.2201 1.2201 1.3922 1.3922 1.4471 1.4471 1.4668 1.4668 9.2664 9.2664 11.5574 11.5574 12.3660 12.3660 13.7133 13.7133 k = 0.0000 0.0778-0.0000 ( 3119 PWs) bands (ev): -24.1208 -24.1208 -20.2369 -20.2369 -18.9830 -18.9830 -17.7324 -17.7324 -17.7232 -17.7232 -7.6813 -7.6813 -7.4155 -7.4155 -7.3214 -7.3214 -3.1679 -3.1679 -3.1260 -3.1260 -1.4396 -1.4396 -0.7657 -0.7657 0.2120 0.2120 0.4196 0.4196 0.4513 0.4513 1.1875 1.1875 1.2199 1.2199 1.3839 1.3839 1.4443 1.4443 1.4747 1.4747 9.3004 9.3004 11.5780 11.5780 12.3783 12.3783 13.6929 13.6929 k = 0.0000 0.0889-0.0000 ( 3127 PWs) bands (ev): -24.1199 -24.1199 -20.2307 -20.2307 -18.9876 -18.9876 -17.7338 -17.7338 -17.7225 -17.7225 -7.6825 -7.6825 -7.4182 -7.4182 -7.3232 -7.3232 -3.1735 -3.1735 -3.1200 -3.1200 -1.4356 -1.4356 -0.7561 -0.7561 0.1920 0.1920 0.4086 0.4086 0.4401 0.4401 1.1885 1.1885 1.2199 1.2199 1.3724 1.3724 1.4416 1.4416 1.4848 1.4848 9.3394 9.3394 11.6011 11.6011 12.3927 12.3927 13.6696 13.6696 k = 0.0000 0.1000-0.0000 ( 3129 PWs) bands (ev): -24.1188 -24.1188 -20.2236 -20.2236 -18.9929 -18.9929 -17.7353 -17.7353 -17.7217 -17.7217 -7.6839 -7.6839 -7.4215 -7.4215 -7.3250 -7.3250 -3.1797 -3.1797 -3.1133 -3.1133 -1.4311 -1.4311 -0.7455 -0.7455 0.1700 0.1700 0.3963 0.3963 0.4276 0.4276 1.1895 1.1895 1.2199 1.2199 1.3585 1.3585 1.4390 1.4390 1.4967 1.4967 9.3831 9.3831 11.6265 11.6265 12.4095 12.4095 13.6437 13.6437 k = 0.0000 0.1111-0.0000 ( 3129 PWs) bands (ev): -24.1177 -24.1177 -20.2158 -20.2158 -18.9987 -18.9987 -17.7370 -17.7370 -17.7208 -17.7208 -7.6855 -7.6855 -7.4254 -7.4254 -7.3266 -7.3266 -3.1864 -3.1864 -3.1057 -3.1057 -1.4261 -1.4261 -0.7340 -0.7340 0.1463 0.1463 0.3827 0.3827 0.4138 0.4138 1.1904 1.1904 1.2201 1.2201 1.3425 1.3425 1.4363 1.4363 1.5099 1.5099 9.4314 9.4314 11.6538 11.6538 12.4287 12.4287 13.6152 13.6152 k = 0.0000 0.1222-0.0000 ( 3129 PWs) bands (ev): -24.1164 -24.1164 -20.2071 -20.2071 -19.0052 -19.0052 -17.7388 -17.7388 -17.7198 -17.7198 -7.6873 -7.6873 -7.4299 -7.4299 -7.3280 -7.3280 -3.1936 -3.1936 -3.0974 -3.0974 -1.4206 -1.4206 -0.7218 -0.7218 0.1211 0.1211 0.3678 0.3678 0.3987 0.3987 1.1912 1.1912 1.2205 1.2205 1.3249 1.3249 1.4334 1.4334 1.5241 1.5241 9.4842 9.4842 11.6826 11.6826 12.4504 12.4504 13.5844 13.5844 k = 0.0000 0.1333-0.0000 ( 3133 PWs) bands (ev): -24.1151 -24.1151 -20.1977 -20.1977 -19.0123 -19.0123 -17.7407 -17.7407 -17.7187 -17.7187 -7.6894 -7.6894 -7.4349 -7.4349 -7.3291 -7.3291 -3.2011 -3.2011 -3.0884 -3.0884 -1.4146 -1.4146 -0.7089 -0.7089 0.0945 0.0945 0.3519 0.3519 0.3825 0.3825 1.1918 1.1918 1.2211 1.2211 1.3060 1.3060 1.4305 1.4305 1.5390 1.5390 9.5414 9.5414 11.7126 11.7126 12.4750 12.4750 13.5515 13.5515 k = 0.0000 0.1444-0.0000 ( 3133 PWs) bands (ev): -24.1137 -24.1137 -20.1875 -20.1875 -19.0200 -19.0200 -17.7428 -17.7428 -17.7176 -17.7176 -7.6916 -7.6916 -7.4405 -7.4405 -7.3300 -7.3300 -3.2089 -3.2089 -3.0787 -3.0787 -1.4080 -1.4080 -0.6955 -0.6955 0.0668 0.0668 0.3348 0.3348 0.3652 0.3652 1.1922 1.1922 1.2219 1.2219 1.2861 1.2861 1.4274 1.4274 1.5545 1.5545 9.6026 9.6026 11.7433 11.7433 12.5024 12.5024 13.5167 13.5167 k = 0.0000 0.1556-0.0000 ( 3141 PWs) bands (ev): -24.1122 -24.1122 -20.1766 -20.1766 -19.0284 -19.0284 -17.7449 -17.7449 -17.7164 -17.7164 -7.6942 -7.6942 -7.4467 -7.4467 -7.3306 -7.3306 -3.2170 -3.2170 -3.0683 -3.0683 -1.4010 -1.4010 -0.6816 -0.6816 0.0380 0.0380 0.3168 0.3168 0.3468 0.3468 1.1921 1.1921 1.2228 1.2228 1.2655 1.2655 1.4241 1.4241 1.5703 1.5703 9.6677 9.6677 11.7743 11.7743 12.5329 12.5329 13.4802 13.4802 k = 0.0000 0.1667-0.0000 ( 3147 PWs) bands (ev): -24.1106 -24.1106 -20.1650 -20.1650 -19.0373 -19.0373 -17.7472 -17.7472 -17.7152 -17.7152 -7.6970 -7.6970 -7.4532 -7.4532 -7.3309 -7.3309 -3.2252 -3.2252 -3.0573 -3.0573 -1.3934 -1.3934 -0.6676 -0.6676 0.0084 0.0084 0.2979 0.2979 0.3276 0.3276 1.1914 1.1914 1.2236 1.2236 1.2452 1.2452 1.4208 1.4208 1.5863 1.5863 9.7366 9.7366 11.8052 11.8052 12.5665 12.5665 13.4422 13.4422 k = 0.0000 0.1778-0.0000 ( 3147 PWs) bands (ev): -24.1089 -24.1089 -20.1526 -20.1526 -19.0469 -19.0469 -17.7495 -17.7495 -17.7139 -17.7139 -7.7001 -7.7001 -7.4602 -7.4602 -7.3309 -7.3309 -3.2336 -3.2336 -3.0458 -3.0458 -1.3853 -1.3853 -0.6534 -0.6534 -0.0220 -0.0220 0.2782 0.2782 0.3075 0.3075 1.1890 1.1890 1.2206 1.2206 1.2299 1.2299 1.4173 1.4173 1.6023 1.6023 9.8090 9.8090 11.8356 11.8356 12.6033 12.6033 13.4030 13.4030 k = 0.0000 0.1889-0.0000 ( 3135 PWs) bands (ev): -24.1072 -24.1072 -20.1395 -20.1395 -19.0571 -19.0571 -17.7519 -17.7519 -17.7125 -17.7125 -7.7035 -7.7035 -7.4674 -7.4674 -7.3307 -7.3307 -3.2419 -3.2419 -3.0337 -3.0337 -1.3768 -1.3768 -0.6393 -0.6393 -0.0529 -0.0529 0.2579 0.2579 0.2868 0.2868 1.1815 1.1815 1.2080 1.2080 1.2290 1.2290 1.4137 1.4137 1.6183 1.6183 9.8847 9.8847 11.8652 11.8652 12.6432 12.6432 13.3629 13.3629 k = 0.0000 0.2000-0.0000 ( 3135 PWs) bands (ev): -24.1054 -24.1054 -20.1258 -20.1258 -19.0678 -19.0678 -17.7544 -17.7544 -17.7112 -17.7112 -7.7071 -7.7071 -7.4748 -7.4748 -7.3302 -7.3302 -3.2502 -3.2502 -3.0211 -3.0211 -1.3677 -1.3677 -0.6254 -0.6254 -0.0843 -0.0843 0.2369 0.2369 0.2654 0.2654 1.1653 1.1653 1.2013 1.2013 1.2305 1.2305 1.4100 1.4100 1.6341 1.6341 9.9636 9.9636 11.8936 11.8936 12.6861 12.6861 13.3221 13.3221 k = 0.0000 0.2111-0.0000 ( 3133 PWs) bands (ev): -24.1036 -24.1036 -20.1114 -20.1114 -19.0792 -19.0792 -17.7569 -17.7569 -17.7097 -17.7097 -7.7112 -7.7112 -7.4823 -7.4823 -7.3295 -7.3295 -3.2584 -3.2584 -3.0081 -3.0081 -1.3581 -1.3581 -0.6119 -0.6119 -0.1160 -0.1160 0.2155 0.2155 0.2437 0.2437 1.1446 1.1446 1.1988 1.1988 1.2325 1.2325 1.4062 1.4062 1.6496 1.6496 10.0453 10.0453 11.9208 11.9208 12.7318 12.7318 13.2807 13.2807 k = 0.0000 0.2222-0.0000 ( 3137 PWs) bands (ev): -24.1018 -24.1018 -20.0964 -20.0964 -19.0912 -19.0912 -17.7595 -17.7595 -17.7083 -17.7083 -7.7155 -7.7155 -7.4899 -7.4899 -7.3286 -7.3286 -3.2664 -3.2664 -2.9946 -2.9946 -1.3481 -1.3481 -0.5988 -0.5988 -0.1480 -0.1480 0.1937 0.1937 0.2217 0.2217 1.1225 1.1225 1.1975 1.1975 1.2347 1.2347 1.4024 1.4024 1.6649 1.6649 10.1297 10.1297 11.9464 11.9464 12.7798 12.7798 13.2391 13.2391 k = 0.0000 0.2333-0.0000 ( 3141 PWs) bands (ev): -24.0999 -24.0999 -20.0808 -20.0808 -19.1037 -19.1037 -17.7620 -17.7620 -17.7069 -17.7069 -7.7202 -7.7202 -7.4974 -7.4974 -7.3276 -7.3276 -3.2743 -3.2743 -2.9809 -2.9809 -1.3375 -1.3375 -0.5865 -0.5865 -0.1801 -0.1801 0.1717 0.1717 0.1997 0.1997 1.1001 1.1001 1.1966 1.1966 1.2370 1.2370 1.3985 1.3985 1.6797 1.6797 10.2166 10.2166 11.9704 11.9704 12.8296 12.8296 13.1975 13.1975 k = 0.0000 0.2444-0.0000 ( 3145 PWs) bands (ev): -24.0981 -24.0981 -20.0646 -20.0646 -19.1168 -19.1168 -17.7646 -17.7646 -17.7054 -17.7054 -7.7252 -7.7252 -7.5048 -7.5048 -7.3265 -7.3265 -3.2819 -3.2819 -2.9668 -2.9668 -1.3265 -1.3265 -0.5750 -0.5750 -0.2123 -0.2123 0.1494 0.1494 0.1779 0.1779 1.0777 1.0777 1.1958 1.1958 1.2394 1.2394 1.3946 1.3946 1.6941 1.6941 10.3057 10.3057 11.9929 11.9929 12.8808 12.8808 13.1560 13.1560 k = 0.0000 0.2556-0.0000 ( 3141 PWs) bands (ev): -24.0962 -24.0962 -20.0479 -20.0479 -19.1305 -19.1305 -17.7672 -17.7672 -17.7039 -17.7039 -7.7305 -7.7305 -7.5119 -7.5119 -7.3252 -7.3252 -3.2892 -3.2892 -2.9525 -2.9525 -1.3149 -1.3149 -0.5645 -0.5645 -0.2445 -0.2445 0.1269 0.1269 0.1567 0.1567 1.0556 1.0556 1.1951 1.1951 1.2418 1.2418 1.3907 1.3907 1.7081 1.7081 10.3969 10.3969 12.0138 12.0138 12.9325 12.9325 13.1149 13.1149 k = 0.0000 0.2667-0.0000 ( 3133 PWs) bands (ev): -24.0943 -24.0943 -20.0306 -20.0306 -19.1447 -19.1447 -17.7697 -17.7697 -17.7024 -17.7024 -7.7361 -7.7361 -7.5188 -7.5188 -7.3238 -7.3238 -3.2963 -3.2963 -2.9380 -2.9380 -1.3029 -1.3029 -0.5552 -0.5552 -0.2766 -0.2766 0.1042 0.1042 0.1363 0.1363 1.0340 1.0340 1.1945 1.1945 1.2443 1.2443 1.3868 1.3868 1.7215 1.7215 10.4897 10.4897 12.0332 12.0332 12.9841 12.9841 13.0745 13.0745 k = 0.0000 0.2778-0.0000 ( 3133 PWs) bands (ev): -24.0924 -24.0924 -20.0128 -20.0128 -19.1595 -19.1595 -17.7723 -17.7723 -17.7010 -17.7010 -7.7420 -7.7420 -7.5253 -7.5253 -7.3224 -7.3224 -3.3030 -3.3030 -2.9235 -2.9235 -1.2905 -1.2905 -0.5472 -0.5472 -0.3085 -0.3085 0.0815 0.0815 0.1170 0.1170 1.0128 1.0128 1.1938 1.1938 1.2468 1.2468 1.3829 1.3829 1.7344 1.7344 10.5841 10.5841 12.0512 12.0512 13.0324 13.0324 13.0371 13.0371 k = 0.0000 0.2889-0.0000 ( 3131 PWs) bands (ev): -24.0906 -24.0906 -19.9946 -19.9946 -19.1747 -19.1747 -17.7747 -17.7747 -17.6995 -17.6995 -7.7481 -7.7481 -7.5316 -7.5316 -7.3209 -7.3209 -3.3094 -3.3094 -2.9088 -2.9088 -1.2776 -1.2776 -0.5407 -0.5407 -0.3402 -0.3402 0.0586 0.0586 0.0990 0.0990 0.9922 0.9922 1.1932 1.1932 1.2493 1.2493 1.3791 1.3791 1.7467 1.7467 10.6797 10.6797 12.0679 12.0679 12.9958 12.9958 13.0836 13.0836 k = 0.0000 0.3000-0.0000 ( 3121 PWs) bands (ev): -24.0888 -24.0888 -19.9759 -19.9759 -19.1905 -19.1905 -17.7772 -17.7772 -17.6981 -17.6981 -7.7544 -7.7544 -7.5374 -7.5374 -7.3194 -7.3194 -3.3153 -3.3153 -2.8943 -2.8943 -1.2642 -1.2642 -0.5357 -0.5357 -0.3716 -0.3716 0.0358 0.0358 0.0827 0.0827 0.9724 0.9724 1.1925 1.1925 1.2518 1.2518 1.3754 1.3754 1.7584 1.7584 10.7762 10.7762 12.0834 12.0834 12.9581 12.9581 13.1296 13.1296 k = 0.0000 0.3111-0.0000 ( 3129 PWs) bands (ev): -24.0870 -24.0870 -19.9569 -19.9569 -19.2068 -19.2068 -17.7795 -17.7795 -17.6967 -17.6967 -7.7608 -7.7608 -7.5429 -7.5429 -7.3179 -7.3179 -3.3209 -3.3209 -2.8799 -2.8799 -1.2504 -1.2504 -0.5324 -0.5324 -0.4025 -0.4025 0.0131 0.0131 0.0680 0.0680 0.9533 0.9533 1.1919 1.1919 1.2542 1.2542 1.3717 1.3717 1.7696 1.7696 10.8735 10.8735 12.0977 12.0977 12.9216 12.9216 13.1720 13.1720 k = 0.0000 0.3222-0.0000 ( 3117 PWs) bands (ev): -24.0853 -24.0853 -19.9375 -19.9375 -19.2234 -19.2234 -17.7818 -17.7818 -17.6954 -17.6954 -7.7673 -7.7673 -7.5480 -7.5480 -7.3163 -7.3163 -3.3261 -3.3261 -2.8656 -2.8656 -1.2362 -1.2362 -0.5309 -0.5309 -0.4330 -0.4330 -0.0093 -0.0093 0.0551 0.0551 0.9351 0.9351 1.1912 1.1912 1.2566 1.2566 1.3681 1.3681 1.7801 1.7801 10.9710 10.9710 12.1112 12.1112 12.8865 12.8865 13.2100 13.2100 k = 0.0000 0.3333-0.0000 ( 3119 PWs) bands (ev): -24.0836 -24.0836 -19.9177 -19.9177 -19.2406 -19.2406 -17.7840 -17.7840 -17.6940 -17.6940 -7.7739 -7.7739 -7.5526 -7.5526 -7.3148 -7.3148 -3.3309 -3.3309 -2.8516 -2.8516 -1.2216 -1.2216 -0.5312 -0.5312 -0.4627 -0.4627 -0.0312 -0.0312 0.0440 0.0440 0.9177 0.9177 1.1906 1.1906 1.2589 1.2589 1.3647 1.3647 1.7899 1.7899 11.0686 11.0686 12.1238 12.1238 12.8529 12.8529 13.2427 13.2427 k = 0.0000 0.3444-0.0000 ( 3119 PWs) bands (ev): -24.0820 -24.0820 -19.8978 -19.8978 -19.2580 -19.2580 -17.7861 -17.7861 -17.6928 -17.6928 -7.7804 -7.7804 -7.5569 -7.5569 -7.3134 -7.3134 -3.3354 -3.3354 -2.8380 -2.8380 -1.2066 -1.2066 -0.5338 -0.5338 -0.4911 -0.4911 -0.0525 -0.0525 0.0346 0.0346 0.9012 0.9012 1.1900 1.1900 1.2612 1.2612 1.3614 1.3614 1.7992 1.7992 11.1657 11.1657 12.1358 12.1358 12.8210 12.8210 13.2695 13.2695 k = 0.0000 0.3556-0.0000 ( 3127 PWs) bands (ev): -24.0805 -24.0805 -19.8776 -19.8776 -19.2759 -19.2759 -17.7881 -17.7881 -17.6916 -17.6916 -7.7868 -7.7868 -7.5609 -7.5609 -7.3120 -7.3120 -3.3395 -3.3395 -2.8248 -2.8248 -1.1912 -1.1912 -0.5409 -0.5409 -0.5159 -0.5159 -0.0731 -0.0731 0.0269 0.0269 0.8857 0.8857 1.1894 1.1894 1.2633 1.2633 1.3582 1.3582 1.8077 1.8077 11.2619 11.2619 12.1473 12.1473 12.7908 12.7908 13.2899 13.2899 k = 0.0000 0.3667-0.0000 ( 3133 PWs) bands (ev): -24.0790 -24.0790 -19.8572 -19.8572 -19.2940 -19.2940 -17.7900 -17.7900 -17.6905 -17.6905 -7.7930 -7.7930 -7.5644 -7.5644 -7.3106 -7.3106 -3.3431 -3.3431 -2.8122 -2.8122 -1.1756 -1.1756 -0.5586 -0.5586 -0.5305 -0.5305 -0.0927 -0.0927 0.0208 0.0208 0.8711 0.8711 1.1889 1.1889 1.2653 1.2653 1.3552 1.3552 1.8157 1.8157 11.3568 11.3568 12.1585 12.1585 12.7624 12.7624 13.3036 13.3036 k = 0.0000 0.3778-0.0000 ( 3137 PWs) bands (ev): -24.0777 -24.0777 -19.8368 -19.8368 -19.3123 -19.3123 -17.7917 -17.7917 -17.6894 -17.6894 -7.7990 -7.7990 -7.5676 -7.5676 -7.3093 -7.3093 -3.3465 -3.3465 -2.8002 -2.8002 -1.1597 -1.1597 -0.5837 -0.5837 -0.5381 -0.5381 -0.1114 -0.1114 0.0161 0.0161 0.8576 0.8576 1.1883 1.1883 1.2672 1.2672 1.3524 1.3524 1.8230 1.8230 11.4496 11.4496 12.1697 12.1697 12.7359 12.7359 13.3102 13.3102 k = 0.0000 0.3889-0.0000 ( 3137 PWs) bands (ev): -24.0764 -24.0764 -19.8164 -19.8164 -19.3308 -19.3308 -17.7934 -17.7934 -17.6884 -17.6884 -7.8046 -7.8046 -7.5705 -7.5705 -7.3081 -7.3081 -3.3494 -3.3494 -2.7888 -2.7888 -1.1435 -1.1435 -0.6098 -0.6098 -0.5444 -0.5444 -0.1289 -0.1289 0.0126 0.0126 0.8452 0.8452 1.1878 1.1878 1.2690 1.2690 1.3498 1.3498 1.8297 1.8297 11.5395 11.5395 12.1812 12.1812 12.7115 12.7115 13.3100 13.3100 k = 0.0000 0.4000-0.0000 ( 3129 PWs) bands (ev): -24.0752 -24.0752 -19.7960 -19.7960 -19.3494 -19.3494 -17.7949 -17.7949 -17.6875 -17.6875 -7.8099 -7.8099 -7.5730 -7.5730 -7.3070 -7.3070 -3.3520 -3.3520 -2.7783 -2.7783 -1.1273 -1.1273 -0.6356 -0.6356 -0.5507 -0.5507 -0.1451 -0.1451 0.0102 0.0102 0.8339 0.8339 1.1874 1.1874 1.2706 1.2706 1.3474 1.3474 1.8357 1.8357 11.6257 11.6257 12.1934 12.1934 12.6893 12.6893 13.3031 13.3031 k = 0.0000 0.4111-0.0000 ( 3121 PWs) bands (ev): -24.0742 -24.0742 -19.7759 -19.7759 -19.3679 -19.3679 -17.7962 -17.7962 -17.6867 -17.6867 -7.8148 -7.8148 -7.5752 -7.5752 -7.3059 -7.3059 -3.3543 -3.3543 -2.7686 -2.7686 -1.1111 -1.1111 -0.6606 -0.6606 -0.5568 -0.5568 -0.1600 -0.1600 0.0086 0.0086 0.8237 0.8237 1.1869 1.1869 1.2721 1.2721 1.3452 1.3452 1.8411 1.8411 11.7067 11.7067 12.2070 12.2070 12.6691 12.6691 13.2901 13.2901 k = 0.0000 0.4222-0.0000 ( 3119 PWs) bands (ev): -24.0732 -24.0732 -19.7562 -19.7562 -19.3862 -19.3862 -17.7974 -17.7974 -17.6859 -17.6859 -7.8192 -7.8192 -7.5772 -7.5772 -7.3050 -7.3050 -3.3563 -3.3563 -2.7598 -2.7598 -1.0950 -1.0950 -0.6845 -0.6845 -0.5628 -0.5628 -0.1733 -0.1733 0.0077 0.0077 0.8147 0.8147 1.1865 1.1865 1.2735 1.2735 1.3432 1.3432 1.8459 1.8459 11.7811 11.7811 12.2225 12.2225 12.6513 12.6513 13.2719 13.2719 k = 0.0000 0.4333-0.0000 ( 3127 PWs) bands (ev): -24.0724 -24.0724 -19.7371 -19.7371 -19.4040 -19.4040 -17.7985 -17.7985 -17.6853 -17.6853 -7.8232 -7.8232 -7.5788 -7.5788 -7.3042 -7.3042 -3.3579 -3.3579 -2.7521 -2.7521 -1.0793 -1.0793 -0.7070 -0.7070 -0.5685 -0.5685 -0.1852 -0.1852 0.0072 0.0072 0.8068 0.8068 1.1862 1.1862 1.2746 1.2746 1.3415 1.3415 1.8500 1.8500 11.8470 11.8470 12.2407 12.2407 12.6356 12.6356 13.2494 13.2494 k = 0.0000 0.4444-0.0000 ( 3132 PWs) bands (ev): -24.0717 -24.0717 -19.7190 -19.7190 -19.4211 -19.4211 -17.7994 -17.7994 -17.6847 -17.6847 -7.8266 -7.8266 -7.5802 -7.5802 -7.3035 -7.3035 -3.3593 -3.3593 -2.7454 -2.7454 -1.0644 -1.0644 -0.7278 -0.7278 -0.5736 -0.5736 -0.1953 -0.1953 0.0071 0.0071 0.8001 0.8001 1.1859 1.1859 1.2756 1.2756 1.3400 1.3400 1.8534 1.8534 11.9027 11.9027 12.2620 12.2620 12.6223 12.6223 13.2243 13.2243 k = 0.0000 0.4556-0.0000 ( 3128 PWs) bands (ev): -24.0711 -24.0711 -19.7022 -19.7022 -19.4369 -19.4369 -17.8001 -17.8001 -17.6842 -17.6842 -7.8294 -7.8294 -7.5813 -7.5813 -7.3029 -7.3029 -3.3605 -3.3605 -2.7399 -2.7399 -1.0506 -1.0506 -0.7463 -0.7463 -0.5780 -0.5780 -0.2037 -0.2037 0.0071 0.0071 0.7946 0.7946 1.1857 1.1857 1.2765 1.2765 1.3388 1.3388 1.8563 1.8563 11.9470 11.9470 12.2859 12.2859 12.6114 12.6114 13.1984 13.1984 k = 0.0000 0.4667-0.0000 ( 3126 PWs) bands (ev): -24.0706 -24.0706 -19.6876 -19.6876 -19.4509 -19.4509 -17.8007 -17.8007 -17.6839 -17.6839 -7.8316 -7.8316 -7.5822 -7.5822 -7.3024 -7.3024 -3.3613 -3.3613 -2.7355 -2.7355 -1.0386 -1.0386 -0.7621 -0.7621 -0.5816 -0.5816 -0.2103 -0.2103 0.0073 0.0073 0.7903 0.7903 1.1855 1.1855 1.2771 1.2771 1.3379 1.3379 1.8585 1.8585 11.9797 11.9797 12.3104 12.3104 12.6029 12.6029 13.1739 13.1739 k = 0.0000 0.4778-0.0000 ( 3120 PWs) bands (ev): -24.0703 -24.0703 -19.6759 -19.6759 -19.4621 -19.4621 -17.8011 -17.8011 -17.6836 -17.6836 -7.8332 -7.8332 -7.5828 -7.5828 -7.3021 -7.3021 -3.3619 -3.3619 -2.7324 -2.7324 -1.0290 -1.0290 -0.7743 -0.7743 -0.5842 -0.5842 -0.2150 -0.2150 0.0075 0.0075 0.7872 0.7872 1.1854 1.1854 1.2776 1.2776 1.3372 1.3372 1.8600 1.8600 12.0015 12.0015 12.3321 12.3321 12.5968 12.5968 13.1536 13.1536 k = 0.0000 0.4889-0.0000 ( 3120 PWs) bands (ev): -24.0701 -24.0701 -19.6682 -19.6682 -19.4694 -19.4694 -17.8014 -17.8014 -17.6835 -17.6835 -7.8341 -7.8341 -7.5832 -7.5832 -7.3019 -7.3019 -3.3623 -3.3623 -2.7305 -2.7305 -1.0228 -1.0228 -0.7821 -0.7821 -0.5858 -0.5858 -0.2179 -0.2179 0.0076 0.0076 0.7854 0.7854 1.1853 1.1853 1.2779 1.2779 1.3368 1.3368 1.8610 1.8610 12.0139 12.0139 12.3472 12.3472 12.5931 12.5931 13.1400 13.1400 k = 0.0000 0.5000-0.0000 ( 3112 PWs) bands (ev): -24.0700 -24.0700 -19.6655 -19.6655 -19.4720 -19.4720 -17.8014 -17.8014 -17.6834 -17.6834 -7.8344 -7.8344 -7.5833 -7.5833 -7.3018 -7.3018 -3.3624 -3.3624 -2.7298 -2.7298 -1.0207 -1.0207 -0.7848 -0.7848 -0.5864 -0.5864 -0.2188 -0.2188 0.0077 0.0077 0.7848 0.7848 1.1852 1.1852 1.2780 1.2780 1.3367 1.3367 1.8613 1.8613 12.0179 12.0179 12.3526 12.3526 12.5919 12.5919 13.1352 13.1352 k = 0.0000 0.5000-0.0000 ( 3112 PWs) bands (ev): -24.0700 -24.0700 -19.6655 -19.6655 -19.4720 -19.4720 -17.8014 -17.8014 -17.6834 -17.6834 -7.8344 -7.8344 -7.5833 -7.5833 -7.3018 -7.3018 -3.3624 -3.3624 -2.7298 -2.7298 -1.0207 -1.0207 -0.7848 -0.7848 -0.5864 -0.5864 -0.2188 -0.2188 0.0077 0.0077 0.7848 0.7848 1.1852 1.1852 1.2780 1.2780 1.3367 1.3367 1.8613 1.8613 12.0179 12.0179 12.3526 12.3526 12.5919 12.5919 13.1352 13.1352 k = 0.0111 0.5000-0.0000 ( 3116 PWs) bands (ev): -24.0700 -24.0700 -19.6653 -19.6653 -19.4720 -19.4720 -17.8016 -17.8016 -17.6834 -17.6834 -7.8345 -7.8345 -7.5832 -7.5832 -7.3024 -7.3024 -3.3688 -3.3688 -2.7234 -2.7234 -1.0207 -1.0207 -0.7850 -0.7850 -0.5943 -0.5943 -0.2111 -0.2111 0.0076 0.0076 0.7854 0.7854 1.1767 1.1767 1.2860 1.2860 1.3365 1.3365 1.8612 1.8612 12.0203 12.0203 12.3536 12.3536 12.5931 12.5931 13.1353 13.1353 k = 0.0222 0.5000-0.0000 ( 3118 PWs) bands (ev): -24.0698 -24.0698 -19.6645 -19.6645 -19.4719 -19.4719 -17.8019 -17.8019 -17.6832 -17.6832 -7.8346 -7.8346 -7.5830 -7.5830 -7.3040 -7.3040 -3.3872 -3.3872 -2.7049 -2.7049 -1.0208 -1.0208 -0.7856 -0.7856 -0.6165 -0.6165 -0.1895 -0.1895 0.0072 0.0072 0.7871 0.7871 1.1567 1.1567 1.3042 1.3042 1.3365 1.3365 1.8609 1.8609 12.0274 12.0274 12.3568 12.3568 12.5967 12.5967 13.1359 13.1359 k = 0.0333 0.5000-0.0000 ( 3130 PWs) bands (ev): -24.0696 -24.0696 -19.6633 -19.6633 -19.4717 -19.4717 -17.8024 -17.8024 -17.6830 -17.6830 -7.8349 -7.8349 -7.5828 -7.5828 -7.3068 -7.3068 -3.4158 -3.4158 -2.6763 -2.6763 -1.0208 -1.0208 -0.7866 -0.7866 -0.6490 -0.6490 -0.1579 -0.1579 0.0066 0.0066 0.7901 0.7901 1.1317 1.1317 1.3223 1.3223 1.3403 1.3403 1.8604 1.8604 12.0390 12.0390 12.3620 12.3620 12.6027 12.6027 13.1367 13.1367 k = 0.0444 0.5000-0.0000 ( 3130 PWs) bands (ev): -24.0692 -24.0692 -19.6615 -19.6615 -19.4714 -19.4714 -17.8031 -17.8031 -17.6828 -17.6828 -7.8352 -7.8352 -7.5824 -7.5824 -7.3106 -7.3106 -3.4523 -3.4523 -2.6396 -2.6396 -1.0210 -1.0210 -0.7882 -0.7882 -0.6882 -0.6882 -0.1201 -0.1201 0.0058 0.0058 0.7943 0.7943 1.1047 1.1047 1.3266 1.3266 1.3585 1.3585 1.8597 1.8597 12.0551 12.0551 12.3696 12.3696 12.6110 12.6110 13.1378 13.1378 k = 0.0556 0.5000-0.0000 ( 3122 PWs) bands (ev): -24.0688 -24.0688 -19.6593 -19.6593 -19.4711 -19.4711 -17.8040 -17.8040 -17.6824 -17.6824 -7.8356 -7.8356 -7.5819 -7.5819 -7.3154 -7.3154 -3.4946 -3.4946 -2.5971 -2.5971 -1.0211 -1.0211 -0.7907 -0.7907 -0.7311 -0.7311 -0.0784 -0.0784 0.0048 0.0048 0.7997 0.7997 1.0768 1.0768 1.3248 1.3248 1.3828 1.3828 1.8589 1.8589 12.0755 12.0755 12.3797 12.3797 12.6217 12.6217 13.1392 13.1392 k = 0.0667 0.5000-0.0000 ( 3114 PWs) bands (ev): -24.0682 -24.0682 -19.6566 -19.6566 -19.4707 -19.4707 -17.8051 -17.8051 -17.6819 -17.6819 -7.8361 -7.8361 -7.5813 -7.5813 -7.3212 -7.3212 -3.5411 -3.5411 -2.5503 -2.5503 -1.0213 -1.0213 -0.7971 -0.7971 -0.7731 -0.7731 -0.0349 -0.0349 0.0040 0.0040 0.8062 0.8062 1.0487 1.0487 1.3214 1.3214 1.4077 1.4077 1.8578 1.8578 12.0997 12.0997 12.3925 12.3925 12.6347 12.6347 13.1409 13.1409 k = 0.0778 0.5000-0.0000 ( 3118 PWs) bands (ev): -24.0676 -24.0676 -19.6534 -19.6534 -19.4702 -19.4702 -17.8065 -17.8065 -17.6814 -17.6814 -7.8368 -7.8368 -7.5806 -7.5806 -7.3280 -7.3280 -3.5906 -3.5906 -2.5006 -2.5006 -1.0216 -1.0216 -0.8304 -0.8304 -0.7902 -0.7902 -0.0015 -0.0015 0.0144 0.0144 0.8138 0.8138 1.0205 1.0205 1.3171 1.3171 1.4324 1.4324 1.8566 1.8566 12.1274 12.1274 12.4086 12.4086 12.6500 12.6500 13.1426 13.1426 k = 0.0889 0.5000-0.0000 ( 3116 PWs) bands (ev): -24.0669 -24.0669 -19.6497 -19.6497 -19.4696 -19.4696 -17.8080 -17.8080 -17.6808 -17.6808 -7.8375 -7.8375 -7.5799 -7.5799 -7.3357 -7.3357 -3.6420 -3.6420 -2.4487 -2.4487 -1.0220 -1.0220 -0.8777 -0.8777 -0.7946 -0.7946 -0.0009 -0.0009 0.0578 0.0578 0.8225 0.8225 0.9925 0.9925 1.3120 1.3120 1.4567 1.4567 1.8551 1.8551 12.1578 12.1578 12.4285 12.4285 12.6675 12.6675 13.1446 13.1446 k = 0.1000 0.5000-0.0000 ( 3116 PWs) bands (ev): -24.0661 -24.0661 -19.6456 -19.6456 -19.4690 -19.4690 -17.8097 -17.8097 -17.6801 -17.6801 -7.8383 -7.8383 -7.5790 -7.5790 -7.3443 -7.3443 -3.6948 -3.6948 -2.3955 -2.3955 -1.0225 -1.0225 -0.9266 -0.9266 -0.7983 -0.7983 -0.0025 -0.0025 0.1033 0.1033 0.8323 0.8323 0.9649 0.9649 1.3062 1.3062 1.4803 1.4803 1.8536 1.8536 12.1901 12.1901 12.4531 12.4531 12.6872 12.6872 13.1465 13.1465 k = 0.1111 0.5000-0.0000 ( 3116 PWs) bands (ev): -24.0652 -24.0652 -19.6411 -19.6411 -19.4683 -19.4683 -17.8116 -17.8116 -17.6794 -17.6794 -7.8392 -7.8392 -7.5782 -7.5782 -7.3536 -7.3536 -3.7484 -3.7484 -2.3415 -2.3415 -1.0236 -1.0236 -0.9753 -0.9753 -0.8022 -0.8022 -0.0045 -0.0045 0.1487 0.1487 0.8430 0.8430 0.9380 0.9380 1.2997 1.2997 1.5032 1.5032 1.8518 1.8518 12.2233 12.2233 12.4831 12.4831 12.7090 12.7090 13.1485 13.1485 k = 0.1222 0.5000-0.0000 ( 3124 PWs) bands (ev): -24.0642 -24.0642 -19.6362 -19.6362 -19.4676 -19.4676 -17.8136 -17.8136 -17.6786 -17.6786 -7.8402 -7.8402 -7.5773 -7.5773 -7.3636 -7.3636 -3.8025 -3.8025 -2.2869 -2.2869 -1.0336 -1.0336 -1.0152 -1.0152 -0.8065 -0.8065 -0.0066 -0.0066 0.1935 0.1935 0.8543 0.8543 0.9121 0.9121 1.2925 1.2925 1.5251 1.5251 1.8499 1.8499 12.2563 12.2563 12.5197 12.5197 12.7328 12.7328 13.1504 13.1504 k = 0.1333 0.5000-0.0000 ( 3122 PWs) bands (ev): -24.0632 -24.0632 -19.6309 -19.6309 -19.4668 -19.4668 -17.8159 -17.8159 -17.6778 -17.6778 -7.8414 -7.8414 -7.5764 -7.5764 -7.3742 -7.3742 -3.8567 -3.8567 -2.2321 -2.2321 -1.0775 -1.0775 -1.0211 -1.0211 -0.8111 -0.8111 -0.0087 -0.0087 0.2376 0.2376 0.8642 0.8642 0.8894 0.8894 1.2846 1.2846 1.5462 1.5462 1.8479 1.8479 12.2882 12.2882 12.5636 12.5636 12.7587 12.7587 13.1523 13.1523 k = 0.1444 0.5000-0.0000 ( 3120 PWs) bands (ev): -24.0621 -24.0621 -19.6252 -19.6252 -19.4659 -19.4659 -17.8183 -17.8183 -17.6768 -17.6768 -7.8426 -7.8426 -7.5756 -7.5756 -7.3853 -7.3853 -3.9108 -3.9108 -2.1774 -2.1774 -1.1258 -1.1258 -1.0221 -1.0221 -0.8162 -0.8162 -0.0110 -0.0110 0.2808 0.2808 0.8554 0.8554 0.8870 0.8870 1.2762 1.2762 1.5663 1.5663 1.8458 1.8458 12.3187 12.3187 12.6152 12.6152 12.7864 12.7864 13.1540 13.1540 k = 0.1556 0.5000-0.0000 ( 3128 PWs) bands (ev): -24.0609 -24.0609 -19.6192 -19.6192 -19.4650 -19.4650 -17.8209 -17.8209 -17.6759 -17.6759 -7.8440 -7.8440 -7.5749 -7.5749 -7.3968 -7.3968 -3.9645 -3.9645 -2.1230 -2.1230 -1.1741 -1.1741 -1.0227 -1.0227 -0.8217 -0.8217 -0.0133 -0.0133 0.3229 0.3229 0.8332 0.8332 0.9000 0.9000 1.2671 1.2671 1.5854 1.5854 1.8435 1.8435 12.3474 12.3474 12.6745 12.6745 12.8159 12.8159 13.1555 13.1555 k = 0.1667 0.5000-0.0000 ( 3124 PWs) bands (ev): -24.0597 -24.0597 -19.6129 -19.6129 -19.4641 -19.4641 -17.8236 -17.8236 -17.6749 -17.6749 -7.8455 -7.8455 -7.5743 -7.5743 -7.4085 -7.4085 -4.0178 -4.0178 -2.0689 -2.0689 -1.2218 -1.2218 -1.0232 -1.0232 -0.8276 -0.8276 -0.0156 -0.0156 0.3638 0.3638 0.8105 0.8105 0.9153 0.9153 1.2574 1.2574 1.6035 1.6035 1.8412 1.8412 12.3747 12.3747 12.7411 12.7411 12.8471 12.8471 13.1568 13.1568 k = 0.1778 0.5000-0.0000 ( 3136 PWs) bands (ev): -24.0584 -24.0584 -19.6062 -19.6062 -19.4631 -19.4631 -17.8265 -17.8265 -17.6738 -17.6738 -7.8471 -7.8471 -7.5739 -7.5739 -7.4203 -7.4203 -4.0704 -4.0704 -2.0155 -2.0155 -1.2688 -1.2688 -1.0237 -1.0237 -0.8340 -0.8340 -0.0179 -0.0179 0.4033 0.4033 0.7885 0.7885 0.9318 0.9318 1.2471 1.2471 1.6206 1.6206 1.8387 1.8387 12.4009 12.4009 12.8146 12.8146 12.8799 12.8799 13.1579 13.1579 k = 0.1889 0.5000-0.0000 ( 3128 PWs) bands (ev): -24.0571 -24.0571 -19.5993 -19.5993 -19.4621 -19.4621 -17.8295 -17.8295 -17.6727 -17.6727 -7.8488 -7.8488 -7.5739 -7.5739 -7.4321 -7.4321 -4.1223 -4.1223 -1.9627 -1.9627 -1.3150 -1.3150 -1.0242 -1.0242 -0.8409 -0.8409 -0.0201 -0.0201 0.4415 0.4415 0.7674 0.7674 0.9493 0.9493 1.2363 1.2363 1.6366 1.6366 1.8362 1.8362 12.4264 12.4264 12.8944 12.8944 12.9143 12.9143 13.1587 13.1587 k = 0.2000 0.5000-0.0000 ( 3130 PWs) bands (ev): -24.0558 -24.0558 -19.5922 -19.5922 -19.4610 -19.4610 -17.8326 -17.8326 -17.6716 -17.6716 -7.8506 -7.8506 -7.5743 -7.5743 -7.4435 -7.4435 -4.1732 -4.1732 -1.9109 -1.9109 -1.3602 -1.3602 -1.0247 -1.0247 -0.8481 -0.8481 -0.0222 -0.0222 0.4781 0.4781 0.7474 0.7474 0.9675 0.9675 1.2250 1.2250 1.6516 1.6516 1.8336 1.8336 12.4515 12.4515 12.9499 12.9499 12.9801 12.9801 13.1593 13.1593 k = 0.2111 0.5000-0.0000 ( 3134 PWs) bands (ev): -24.0544 -24.0544 -19.5848 -19.5848 -19.4599 -19.4599 -17.8359 -17.8359 -17.6705 -17.6705 -7.8526 -7.8526 -7.5753 -7.5753 -7.4545 -7.4545 -4.2232 -4.2232 -1.8599 -1.8599 -1.4044 -1.4044 -1.0252 -1.0252 -0.8558 -0.8558 -0.0241 -0.0241 0.5132 0.5132 0.7286 0.7286 0.9864 0.9864 1.2132 1.2132 1.6655 1.6655 1.8309 1.8309 12.4764 12.4764 12.9868 12.9868 13.0712 13.0712 13.1597 13.1597 k = 0.2222 0.5000-0.0000 ( 3130 PWs) bands (ev): -24.0530 -24.0530 -19.5773 -19.5773 -19.4588 -19.4588 -17.8392 -17.8392 -17.6693 -17.6693 -7.8547 -7.8547 -7.5772 -7.5772 -7.4647 -7.4647 -4.2721 -4.2721 -1.8101 -1.8101 -1.4475 -1.4475 -1.0258 -1.0258 -0.8638 -0.8638 -0.0259 -0.0259 0.5465 0.5465 0.7111 0.7111 1.0059 1.0059 1.2009 1.2009 1.6784 1.6784 1.8282 1.8282 12.5012 12.5012 13.0248 13.0248 13.1588 13.1588 13.1686 13.1686 k = 0.2333 0.5000-0.0000 ( 3126 PWs) bands (ev): -24.0515 -24.0515 -19.5696 -19.5696 -19.4577 -19.4577 -17.8426 -17.8426 -17.6681 -17.6681 -7.8570 -7.8570 -7.5800 -7.5800 -7.4738 -7.4738 -4.3198 -4.3198 -1.7615 -1.7615 -1.4893 -1.4893 -1.0263 -1.0263 -0.8722 -0.8722 -0.0274 -0.0274 0.5781 0.5781 0.6949 0.6949 1.0260 1.0260 1.1882 1.1882 1.6902 1.6902 1.8256 1.8256 12.5261 12.5261 13.0637 13.0637 13.1596 13.1596 13.2687 13.2687 k = 0.2444 0.5000-0.0000 ( 3118 PWs) bands (ev): -24.0501 -24.0501 -19.5619 -19.5619 -19.4566 -19.4566 -17.8461 -17.8461 -17.6669 -17.6669 -7.8593 -7.8593 -7.5840 -7.5840 -7.4816 -7.4816 -4.3662 -4.3662 -1.7143 -1.7143 -1.5296 -1.5296 -1.0268 -1.0268 -0.8808 -0.8808 -0.0287 -0.0287 0.6075 0.6075 0.6804 0.6804 1.0463 1.0463 1.1752 1.1752 1.7011 1.7011 1.8229 1.8229 12.5512 12.5512 13.1034 13.1034 13.1594 13.1594 13.3743 13.3743 k = 0.2556 0.5000-0.0000 ( 3118 PWs) bands (ev): -24.0486 -24.0486 -19.5540 -19.5540 -19.4555 -19.4555 -17.8497 -17.8497 -17.6657 -17.6657 -7.8619 -7.8619 -7.5893 -7.5893 -7.4879 -7.4879 -4.4113 -4.4113 -1.6694 -1.6694 -1.5678 -1.5678 -1.0274 -1.0274 -0.8898 -0.8898 -0.0298 -0.0298 0.6330 0.6330 0.6694 0.6694 1.0669 1.0669 1.1618 1.1618 1.7109 1.7109 1.8203 1.8203 12.5764 12.5764 13.1438 13.1438 13.1591 13.1591 13.4841 13.4841 k = 0.2667 0.5000-0.0000 ( 3122 PWs) bands (ev): -24.0472 -24.0472 -19.5462 -19.5462 -19.4544 -19.4544 -17.8533 -17.8533 -17.6645 -17.6645 -7.8645 -7.8645 -7.5959 -7.5959 -7.4928 -7.4928 -4.4550 -4.4550 -1.6332 -1.6332 -1.5973 -1.5973 -1.0279 -1.0279 -0.8990 -0.8990 -0.0306 -0.0306 0.6428 0.6428 0.6737 0.6737 1.0876 1.0876 1.1482 1.1482 1.7198 1.7198 1.8176 1.8176 12.6016 12.6016 13.1586 13.1586 13.1845 13.1845 13.5978 13.5978 k = 0.2778 0.5000-0.0000 ( 3122 PWs) bands (ev): -24.0458 -24.0458 -19.5383 -19.5383 -19.4533 -19.4533 -17.8569 -17.8569 -17.6633 -17.6633 -7.8674 -7.8674 -7.6034 -7.6034 -7.4963 -7.4963 -4.4971 -4.4971 -1.6496 -1.6496 -1.5742 -1.5742 -1.0285 -1.0285 -0.9083 -0.9083 -0.0310 -0.0310 0.6353 0.6353 0.6948 0.6948 1.1077 1.1077 1.1349 1.1349 1.7278 1.7278 1.8151 1.8151 12.6270 12.6270 13.1581 13.1581 13.2255 13.2255 13.7153 13.7153 k = 0.2889 0.5000-0.0000 ( 3122 PWs) bands (ev): -24.0443 -24.0443 -19.5305 -19.5305 -19.4522 -19.4522 -17.8606 -17.8606 -17.6621 -17.6621 -7.8704 -7.8704 -7.6118 -7.6118 -7.4985 -7.4985 -4.5377 -4.5377 -1.6829 -1.6829 -1.5344 -1.5344 -1.0291 -1.0291 -0.9177 -0.9177 -0.0311 -0.0311 0.6256 0.6256 0.7177 0.7177 1.1170 1.1170 1.1322 1.1322 1.7349 1.7349 1.8126 1.8126 12.6524 12.6524 13.1575 13.1575 13.2666 13.2666 13.8363 13.8363 k = 0.3000 0.5000-0.0000 ( 3124 PWs) bands (ev): -24.0430 -24.0430 -19.5228 -19.5228 -19.4511 -19.4511 -17.8642 -17.8642 -17.6610 -17.6610 -7.8735 -7.8735 -7.6207 -7.6207 -7.4998 -7.4998 -4.5766 -4.5766 -1.7161 -1.7161 -1.4949 -1.4949 -1.0296 -1.0296 -0.9272 -0.9272 -0.0309 -0.0309 0.6163 0.6163 0.7397 0.7397 1.1045 1.1045 1.1509 1.1509 1.7411 1.7411 1.8102 1.8102 12.6778 12.6778 13.1569 13.1569 13.3076 13.3076 13.9602 13.9603 k = 0.3111 0.5000-0.0000 ( 3128 PWs) bands (ev): -24.0416 -24.0416 -19.5152 -19.5152 -19.4500 -19.4500 -17.8678 -17.8678 -17.6599 -17.6599 -7.8768 -7.8768 -7.6298 -7.6298 -7.5004 -7.5004 -4.6139 -4.6139 -1.7480 -1.7480 -1.4568 -1.4568 -1.0302 -1.0302 -0.9366 -0.9366 -0.0302 -0.0302 0.6078 0.6078 0.7605 0.7605 1.0904 1.0904 1.1707 1.1707 1.7465 1.7465 1.8080 1.8080 12.7030 12.7030 13.1563 13.1563 13.3482 13.3482 13.9999 13.9999 k = 0.3222 0.5000-0.0000 ( 3132 PWs) bands (ev): -24.0403 -24.0403 -19.5077 -19.5077 -19.4490 -19.4490 -17.8713 -17.8713 -17.6588 -17.6588 -7.8802 -7.8802 -7.6389 -7.6389 -7.5004 -7.5004 -4.6493 -4.6493 -1.7785 -1.7785 -1.4204 -1.4204 -1.0308 -1.0308 -0.9460 -0.9460 -0.0293 -0.0293 0.6001 0.6001 0.7800 0.7800 1.0762 1.0762 1.1902 1.1902 1.7511 1.7511 1.8059 1.8059 12.7280 12.7280 13.1558 13.1558 13.3882 13.3882 13.9748 13.9748 k = 0.3333 0.5000-0.0000 ( 3132 PWs) bands (ev): -24.0390 -24.0390 -19.5005 -19.5005 -19.4480 -19.4480 -17.8748 -17.8748 -17.6577 -17.6577 -7.8836 -7.8836 -7.6478 -7.6478 -7.5000 -7.5000 -4.6829 -4.6829 -1.8074 -1.8074 -1.3858 -1.3858 -1.0313 -1.0313 -0.9552 -0.9552 -0.0280 -0.0280 0.5933 0.5933 0.7982 0.7982 1.0621 1.0621 1.2091 1.2091 1.7549 1.7549 1.8039 1.8039 12.7526 12.7526 13.1553 13.1553 13.4275 13.4275 13.9510 13.9510 k = 0.3444 0.5000-0.0000 ( 3132 PWs) bands (ev): -24.0378 -24.0378 -19.4935 -19.4935 -19.4471 -19.4471 -17.8782 -17.8782 -17.6567 -17.6567 -7.8872 -7.8872 -7.6563 -7.6563 -7.4993 -7.4993 -4.7147 -4.7147 -1.8346 -1.8346 -1.3531 -1.3531 -1.0318 -1.0318 -0.9641 -0.9641 -0.0264 -0.0264 0.5873 0.5873 0.8150 0.8150 1.0481 1.0481 1.2273 1.2273 1.7581 1.7581 1.8022 1.8022 12.7768 12.7768 13.1549 13.1549 13.4658 13.4658 13.9284 13.9284 k = 0.3556 0.5000-0.0000 ( 3124 PWs) bands (ev): -24.0366 -24.0366 -19.4868 -19.4868 -19.4462 -19.4462 -17.8814 -17.8814 -17.6557 -17.6557 -7.8908 -7.8908 -7.6644 -7.6644 -7.4983 -7.4983 -4.7445 -4.7445 -1.8601 -1.8601 -1.3224 -1.3224 -1.0324 -1.0324 -0.9728 -0.9728 -0.0244 -0.0244 0.5821 0.5821 0.8306 0.8306 1.0345 1.0345 1.2447 1.2447 1.7607 1.7607 1.8006 1.8006 12.8003 12.8003 13.1546 13.1546 13.5028 13.5028 13.9072 13.9072 k = 0.3667 0.5000-0.0000 ( 3124 PWs) bands (ev): -24.0355 -24.0355 -19.4804 -19.4804 -19.4453 -19.4453 -17.8845 -17.8845 -17.6548 -17.6548 -7.8945 -7.8945 -7.6720 -7.6720 -7.4973 -7.4973 -4.7723 -4.7723 -1.8839 -1.8839 -1.2938 -1.2938 -1.0329 -1.0329 -0.9811 -0.9811 -0.0222 -0.0222 0.5775 0.5775 0.8449 0.8449 1.0212 1.0212 1.2611 1.2611 1.7626 1.7626 1.7992 1.7992 12.8230 12.8230 13.1543 13.1543 13.5384 13.5384 13.8874 13.8874 k = 0.3778 0.5000-0.0000 ( 3124 PWs) bands (ev): -24.0344 -24.0344 -19.4744 -19.4744 -19.4445 -19.4445 -17.8875 -17.8875 -17.6539 -17.6539 -7.8981 -7.8981 -7.6791 -7.6791 -7.4962 -7.4962 -4.7980 -4.7980 -1.9059 -1.9059 -1.2674 -1.2674 -1.0334 -1.0334 -0.9889 -0.9889 -0.0197 -0.0197 0.5737 0.5737 0.8580 0.8580 1.0084 1.0084 1.2766 1.2766 1.7641 1.7641 1.7981 1.7981 12.8448 12.8448 13.1542 13.1542 13.5722 13.5722 13.8691 13.8691 k = 0.3889 0.5000-0.0000 ( 3128 PWs) bands (ev): -24.0334 -24.0334 -19.4687 -19.4687 -19.4437 -19.4437 -17.8903 -17.8903 -17.6531 -17.6531 -7.9017 -7.9017 -7.6855 -7.6855 -7.4951 -7.4951 -4.8217 -4.8217 -1.9261 -1.9261 -1.2431 -1.2431 -1.0339 -1.0339 -0.9962 -0.9962 -0.0171 -0.0171 0.5703 0.5703 0.8698 0.8698 0.9963 0.9963 1.2909 1.2909 1.7651 1.7651 1.7971 1.7971 12.8655 12.8655 13.1541 13.1541 13.6041 13.6041 13.8522 13.8522 k = 0.4000 0.5000-0.0000 ( 3124 PWs) bands (ev): -24.0325 -24.0325 -19.4635 -19.4635 -19.4430 -19.4430 -17.8929 -17.8929 -17.6524 -17.6524 -7.9051 -7.9051 -7.6912 -7.6912 -7.4940 -7.4940 -4.8433 -4.8433 -1.9445 -1.9445 -1.2211 -1.2211 -1.0344 -1.0344 -1.0030 -1.0030 -0.0144 -0.0144 0.5675 0.5675 0.8803 0.8803 0.9849 0.9849 1.3040 1.3040 1.7657 1.7657 1.7963 1.7963 12.8850 12.8850 13.1541 13.1541 13.6339 13.6339 13.8369 13.8369 k = 0.4111 0.5000-0.0000 ( 3124 PWs) bands (ev): -24.0317 -24.0317 -19.4588 -19.4588 -19.4424 -19.4424 -17.8952 -17.8952 -17.6517 -17.6517 -7.9084 -7.9084 -7.6963 -7.6963 -7.4930 -7.4930 -4.8627 -4.8627 -1.9610 -1.9610 -1.2013 -1.2013 -1.0349 -1.0349 -1.0091 -1.0091 -0.0116 -0.0116 0.5652 0.5652 0.8895 0.8895 0.9745 0.9745 1.3159 1.3159 1.7661 1.7661 1.7956 1.7956 12.9030 12.9030 13.1541 13.1541 13.6612 13.6612 13.8231 13.8231 k = 0.4222 0.5000-0.0000 ( 3122 PWs) bands (ev): -24.0310 -24.0310 -19.4545 -19.4545 -19.4418 -19.4418 -17.8974 -17.8974 -17.6511 -17.6511 -7.9114 -7.9114 -7.7008 -7.7008 -7.4920 -7.4920 -4.8799 -4.8799 -1.9756 -1.9756 -1.1838 -1.1838 -1.0354 -1.0354 -1.0144 -1.0144 -0.0089 -0.0089 0.5633 0.5633 0.8975 0.8975 0.9652 0.9652 1.3266 1.3266 1.7662 1.7662 1.7951 1.7951 12.9194 12.9194 13.1542 13.1542 13.6858 13.6858 13.8109 13.8109 k = 0.4333 0.5000-0.0000 ( 3126 PWs) bands (ev): -24.0304 -24.0304 -19.4507 -19.4507 -19.4413 -19.4413 -17.8992 -17.8992 -17.6506 -17.6506 -7.9141 -7.9141 -7.7046 -7.7046 -7.4912 -7.4912 -4.8948 -4.8948 -1.9883 -1.9883 -1.1687 -1.1687 -1.0361 -1.0361 -1.0190 -1.0190 -0.0064 -0.0064 0.5617 0.5617 0.9040 0.9040 0.9572 0.9572 1.3359 1.3359 1.7662 1.7662 1.7946 1.7946 12.9340 12.9340 13.1544 13.1544 13.7077 13.7077 13.8002 13.8002 k = 0.4444 0.5000-0.0000 ( 3122 PWs) bands (ev): -24.0298 -24.0298 -19.4475 -19.4475 -19.4409 -19.4409 -17.9009 -17.9009 -17.6501 -17.6501 -7.9166 -7.9166 -7.7078 -7.7078 -7.4904 -7.4904 -4.9075 -4.9075 -1.9991 -1.9991 -1.1559 -1.1559 -1.0368 -1.0368 -1.0226 -1.0226 -0.0040 -0.0040 0.5605 0.5605 0.9090 0.9090 0.9507 0.9507 1.3438 1.3438 1.7661 1.7661 1.7943 1.7943 12.9466 12.9466 13.1545 13.1545 13.7265 13.7265 13.7912 13.7912 k = 0.4556 0.5000-0.0000 ( 3128 PWs) bands (ev): -24.0294 -24.0294 -19.4449 -19.4449 -19.4405 -19.4405 -17.9022 -17.9022 -17.6497 -17.6497 -7.9186 -7.9186 -7.7105 -7.7105 -7.4897 -7.4897 -4.9180 -4.9180 -2.0079 -2.0079 -1.1455 -1.1455 -1.0378 -1.0378 -1.0253 -1.0253 -0.0020 -0.0020 0.5596 0.5596 0.9123 0.9123 0.9460 0.9460 1.3503 1.3503 1.7659 1.7659 1.7940 1.7940 12.9572 12.9572 13.1546 13.1546 13.7422 13.7422 13.7838 13.7838 k = 0.4667 0.5000-0.0000 ( 3124 PWs) bands (ev): -24.0290 -24.0290 -19.4429 -19.4429 -19.4401 -19.4401 -17.9033 -17.9033 -17.6494 -17.6494 -7.9202 -7.9202 -7.7125 -7.7125 -7.4892 -7.4892 -4.9261 -4.9261 -2.0148 -2.0148 -1.1373 -1.1373 -1.0387 -1.0387 -1.0272 -1.0272 -0.0003 -0.0003 0.5588 0.5588 0.9141 0.9141 0.9431 0.9431 1.3554 1.3554 1.7657 1.7657 1.7938 1.7938 12.9656 12.9656 13.1548 13.1548 13.7544 13.7544 13.7781 13.7781 k = 0.4778 0.5000-0.0000 ( 3128 PWs) bands (ev): -24.0288 -24.0288 -19.4416 -19.4416 -19.4397 -19.4397 -17.9040 -17.9040 -17.6492 -17.6492 -7.9214 -7.9214 -7.7139 -7.7139 -7.4889 -7.4889 -4.9320 -4.9320 -2.0197 -2.0197 -1.1316 -1.1316 -1.0396 -1.0396 -1.0283 -1.0283 0.0009 0.0009 0.5584 0.5584 0.9146 0.9146 0.9416 0.9416 1.3591 1.3591 1.7656 1.7656 1.7937 1.7937 12.9717 12.9717 13.1549 13.1549 13.7632 13.7632 13.7741 13.7741 k = 0.4889 0.5000-0.0000 ( 3124 PWs) bands (ev): -24.0286 -24.0286 -19.4410 -19.4410 -19.4393 -19.4393 -17.9045 -17.9045 -17.6491 -17.6491 -7.9221 -7.9221 -7.7147 -7.7147 -7.4886 -7.4886 -4.9355 -4.9355 -2.0227 -2.0227 -1.1281 -1.1281 -1.0402 -1.0402 -1.0289 -1.0289 0.0017 0.0017 0.5581 0.5581 0.9146 0.9146 0.9411 0.9411 1.3613 1.3613 1.7655 1.7655 1.7936 1.7936 12.9753 12.9753 13.1549 13.1549 13.7682 13.7682 13.7720 13.7720 k = 0.5000 0.5000-0.0000 ( 3124 PWs) bands (ev): -24.0286 -24.0286 -19.4408 -19.4408 -19.4392 -19.4392 -17.9046 -17.9046 -17.6491 -17.6491 -7.9224 -7.9224 -7.7150 -7.7150 -7.4886 -7.4886 -4.9366 -4.9366 -2.0237 -2.0237 -1.1270 -1.1270 -1.0404 -1.0404 -1.0290 -1.0290 0.0020 0.0020 0.5580 0.5580 0.9145 0.9145 0.9410 0.9410 1.3620 1.3620 1.7655 1.7655 1.7935 1.7935 12.9765 12.9765 13.1549 13.1549 13.7691 13.7691 13.7720 13.7720 k = 0.5000 0.5000-0.0000 ( 3124 PWs) bands (ev): -24.0286 -24.0286 -19.4408 -19.4408 -19.4392 -19.4392 -17.9046 -17.9046 -17.6491 -17.6491 -7.9224 -7.9224 -7.7150 -7.7150 -7.4886 -7.4886 -4.9366 -4.9366 -2.0237 -2.0237 -1.1270 -1.1270 -1.0404 -1.0404 -1.0290 -1.0290 0.0020 0.0020 0.5580 0.5580 0.9145 0.9145 0.9410 0.9410 1.3620 1.3620 1.7655 1.7655 1.7935 1.7935 12.9765 12.9765 13.1549 13.1549 13.7691 13.7691 13.7720 13.7720 k = 0.4921 0.4921-0.0000 ( 3124 PWs) bands (ev): -24.0286 -24.0286 -19.4411 -19.4411 -19.4392 -19.4392 -17.9045 -17.9045 -17.6491 -17.6491 -7.9221 -7.9221 -7.7147 -7.7147 -7.4886 -7.4886 -4.9354 -4.9354 -2.0227 -2.0227 -1.1281 -1.1281 -1.0402 -1.0402 -1.0289 -1.0289 0.0017 0.0017 0.5581 0.5581 0.9146 0.9146 0.9411 0.9411 1.3613 1.3613 1.7655 1.7655 1.7936 1.7936 12.9753 12.9753 13.1549 13.1549 13.7684 13.7684 13.7718 13.7718 k = 0.4841 0.4841-0.0000 ( 3128 PWs) bands (ev): -24.0288 -24.0288 -19.4426 -19.4426 -19.4387 -19.4387 -17.9040 -17.9040 -17.6492 -17.6492 -7.9214 -7.9214 -7.7139 -7.7139 -7.4889 -7.4889 -4.9319 -4.9319 -2.0196 -2.0196 -1.1317 -1.1317 -1.0397 -1.0397 -1.0281 -1.0281 0.0009 0.0009 0.5584 0.5584 0.9149 0.9149 0.9414 0.9414 1.3590 1.3590 1.7656 1.7656 1.7937 1.7937 12.9713 12.9713 13.1551 13.1551 13.7646 13.7646 13.7727 13.7727 k = 0.4762 0.4762-0.0000 ( 3122 PWs) bands (ev): -24.0290 -24.0290 -19.4456 -19.4456 -19.4374 -19.4374 -17.9032 -17.9032 -17.6495 -17.6495 -7.9202 -7.9202 -7.7124 -7.7124 -7.4892 -7.4892 -4.9259 -4.9259 -2.0146 -2.0146 -1.1376 -1.1376 -1.0393 -1.0393 -1.0265 -1.0265 -0.0004 -0.0004 0.5589 0.5589 0.9154 0.9154 0.9419 0.9419 1.3553 1.3553 1.7657 1.7657 1.7939 1.7939 12.9639 12.9639 13.1561 13.1561 13.7576 13.7576 13.7748 13.7748 k = 0.4683 0.4683-0.0000 ( 3118 PWs) bands (ev): -24.0294 -24.0294 -19.4499 -19.4499 -19.4356 -19.4356 -17.9022 -17.9022 -17.6497 -17.6497 -7.9184 -7.9184 -7.7104 -7.7104 -7.4898 -7.4898 -4.9176 -4.9176 -2.0075 -2.0075 -1.1458 -1.1458 -1.0393 -1.0393 -1.0236 -1.0236 -0.0022 -0.0022 0.5596 0.5596 0.9160 0.9160 0.9426 0.9426 1.3502 1.3502 1.7657 1.7657 1.7942 1.7942 12.9526 12.9526 13.1587 13.1587 13.7479 13.7479 13.7779 13.7779 k = 0.4603 0.4603-0.0000 ( 3126 PWs) bands (ev): -24.0299 -24.0299 -19.4554 -19.4554 -19.4331 -19.4331 -17.9008 -17.9008 -17.6501 -17.6501 -7.9163 -7.9163 -7.7078 -7.7078 -7.4904 -7.4904 -4.9071 -4.9071 -1.9985 -1.9985 -1.1564 -1.1564 -1.0400 -1.0400 -1.0193 -1.0193 -0.0045 -0.0045 0.5605 0.5605 0.9167 0.9167 0.9434 0.9434 1.3438 1.3438 1.7656 1.7656 1.7947 1.7947 12.9366 12.9366 13.1636 13.1636 13.7357 13.7357 13.7819 13.7819 k = 0.4524 0.4524-0.0000 ( 3124 PWs) bands (ev): -24.0304 -24.0304 -19.4621 -19.4621 -19.4301 -19.4301 -17.8991 -17.8991 -17.6506 -17.6506 -7.9136 -7.9136 -7.7047 -7.7047 -7.4912 -7.4912 -4.8942 -4.8942 -1.9875 -1.9875 -1.1694 -1.1694 -1.0412 -1.0412 -1.0135 -1.0135 -0.0073 -0.0073 0.5618 0.5618 0.9175 0.9175 0.9445 0.9445 1.3360 1.3360 1.7653 1.7653 1.7955 1.7955 12.9154 12.9154 13.1714 13.1714 13.7210 13.7210 13.7870 13.7870 k = 0.4444 0.4444-0.0000 ( 3128 PWs) bands (ev): -24.0311 -24.0311 -19.4700 -19.4700 -19.4266 -19.4266 -17.8972 -17.8972 -17.6512 -17.6512 -7.9105 -7.9105 -7.7010 -7.7010 -7.4921 -7.4921 -4.8791 -4.8791 -1.9744 -1.9744 -1.1848 -1.1848 -1.0429 -1.0429 -1.0064 -1.0064 -0.0105 -0.0105 0.5634 0.5634 0.9184 0.9184 0.9457 0.9457 1.3272 1.3272 1.7647 1.7647 1.7965 1.7965 12.8889 12.8889 13.1822 13.1822 13.7043 13.7043 13.7929 13.7929 k = 0.4365 0.4365-0.0000 ( 3128 PWs) bands (ev): -24.0319 -24.0319 -19.4790 -19.4790 -19.4226 -19.4226 -17.8950 -17.8950 -17.6518 -17.6518 -7.9070 -7.9070 -7.6968 -7.6968 -7.4931 -7.4931 -4.8618 -4.8618 -1.9594 -1.9594 -1.2025 -1.2025 -1.0451 -1.0451 -0.9981 -0.9981 -0.0141 -0.0141 0.5653 0.5653 0.9192 0.9192 0.9471 0.9471 1.3173 1.3173 1.7637 1.7637 1.7977 1.7977 12.8573 12.8573 13.1961 13.1961 13.6856 13.6856 13.7997 13.7997 k = 0.4286 0.4286-0.0000 ( 3112 PWs) bands (ev): -24.0327 -24.0327 -19.4890 -19.4890 -19.4180 -19.4180 -17.8926 -17.8926 -17.6525 -17.6525 -7.9030 -7.9030 -7.6920 -7.6920 -7.4942 -7.4942 -4.8424 -4.8424 -1.9424 -1.9424 -1.2224 -1.2224 -1.0477 -1.0477 -0.9885 -0.9885 -0.0180 -0.0180 0.5677 0.5677 0.9201 0.9201 0.9485 0.9485 1.3065 1.3065 1.7624 1.7624 1.7993 1.7993 12.8208 12.8208 13.2127 13.2127 13.6654 13.6654 13.8075 13.8075 k = 0.4206 0.4206-0.0000 ( 3114 PWs) bands (ev): -24.0337 -24.0337 -19.5000 -19.5000 -19.4129 -19.4129 -17.8899 -17.8899 -17.6533 -17.6533 -7.8986 -7.8986 -7.6868 -7.6868 -7.4954 -7.4954 -4.8210 -4.8210 -1.9235 -1.9235 -1.2447 -1.2447 -1.0507 -1.0507 -0.9779 -0.9779 -0.0224 -0.0224 0.5705 0.5705 0.9209 0.9209 0.9500 0.9500 1.2950 1.2950 1.7606 1.7606 1.8010 1.8010 12.7797 12.7797 13.2319 13.2319 13.6438 13.6438 13.8162 13.8162 k = 0.4127 0.4127-0.0000 ( 3118 PWs) bands (ev): -24.0347 -24.0347 -19.5121 -19.5121 -19.4074 -19.4074 -17.8870 -17.8870 -17.6542 -17.6542 -7.8939 -7.8939 -7.6810 -7.6810 -7.4966 -7.4966 -4.7975 -4.7975 -1.9026 -1.9026 -1.2692 -1.2692 -1.0541 -1.0541 -0.9661 -0.9661 -0.0270 -0.0270 0.5737 0.5737 0.9217 0.9217 0.9514 0.9514 1.2830 1.2830 1.7584 1.7584 1.8029 1.8029 12.7344 12.7344 13.2532 13.2532 13.6210 13.6210 13.8258 13.8258 k = 0.4048 0.4048-0.0000 ( 3126 PWs) bands (ev): -24.0359 -24.0359 -19.5251 -19.5251 -19.4014 -19.4014 -17.8840 -17.8840 -17.6551 -17.6551 -7.8888 -7.8888 -7.6748 -7.6748 -7.4978 -7.4978 -4.7722 -4.7722 -1.8798 -1.8798 -1.2958 -1.2958 -1.0581 -1.0581 -0.9531 -0.9531 -0.0319 -0.0319 0.5775 0.5775 0.9224 0.9224 0.9526 0.9526 1.2707 1.2707 1.7558 1.7558 1.8049 1.8049 12.6851 12.6851 13.2764 13.2764 13.5974 13.5974 13.8364 13.8364 k = 0.3968 0.3968-0.0000 ( 3124 PWs) bands (ev): -24.0372 -24.0372 -19.5389 -19.5389 -19.3949 -19.3949 -17.8807 -17.8807 -17.6562 -17.6562 -7.8834 -7.8834 -7.6681 -7.6681 -7.4991 -7.4991 -4.7450 -4.7450 -1.8551 -1.8551 -1.3245 -1.3245 -1.0624 -1.0624 -0.9391 -0.9391 -0.0370 -0.0370 0.5819 0.5819 0.9231 0.9231 0.9535 0.9535 1.2583 1.2583 1.7528 1.7528 1.8069 1.8069 12.6321 12.6321 13.3011 13.3011 13.5732 13.5732 13.8479 13.8479 k = 0.3889 0.3889-0.0000 ( 3122 PWs) bands (ev): -24.0385 -24.0385 -19.5536 -19.5536 -19.3879 -19.3879 -17.8773 -17.8773 -17.6573 -17.6573 -7.8776 -7.8776 -7.6610 -7.6610 -7.5003 -7.5003 -4.7162 -4.7162 -1.8285 -1.8285 -1.3553 -1.3553 -1.0673 -1.0673 -0.9241 -0.9241 -0.0423 -0.0423 0.5869 0.5869 0.9236 0.9236 0.9538 0.9538 1.2462 1.2462 1.7494 1.7494 1.8088 1.8088 12.5757 12.5757 13.3269 13.3269 13.5486 13.5486 13.8604 13.8604 k = 0.3810 0.3810-0.0000 ( 3122 PWs) bands (ev): -24.0399 -24.0399 -19.5691 -19.5691 -19.3805 -19.3805 -17.8738 -17.8738 -17.6584 -17.6584 -7.8716 -7.8716 -7.6534 -7.6534 -7.5015 -7.5015 -4.6856 -4.6856 -1.8000 -1.8000 -1.3880 -1.3880 -1.0726 -1.0726 -0.9080 -0.9080 -0.0479 -0.0479 0.5926 0.5926 0.9241 0.9241 0.9535 0.9535 1.2346 1.2346 1.7455 1.7455 1.8105 1.8105 12.5160 12.5160 13.3534 13.3534 13.5240 13.5240 13.8738 13.8738 k = 0.3730 0.3730-0.0000 ( 3126 PWs) bands (ev): -24.0414 -24.0414 -19.5853 -19.5853 -19.3727 -19.3727 -17.8701 -17.8701 -17.6597 -17.6597 -7.8654 -7.8654 -7.6455 -7.6455 -7.5027 -7.5027 -4.6536 -4.6536 -1.7697 -1.7697 -1.4226 -1.4226 -1.0784 -1.0784 -0.8908 -0.8908 -0.0536 -0.0536 0.5989 0.5989 0.9245 0.9245 0.9523 0.9523 1.2239 1.2239 1.7413 1.7413 1.8121 1.8121 12.4533 12.4533 13.3799 13.3799 13.4995 13.4995 13.8882 13.8882 k = 0.3651 0.3651-0.0000 ( 3128 PWs) bands (ev): -24.0430 -24.0430 -19.6021 -19.6021 -19.3644 -19.3644 -17.8663 -17.8663 -17.6610 -17.6610 -7.8589 -7.8589 -7.6372 -7.6372 -7.5038 -7.5038 -4.6200 -4.6200 -1.7377 -1.7377 -1.4590 -1.4590 -1.0848 -1.0848 -0.8727 -0.8727 -0.0594 -0.0594 0.6059 0.6059 0.9246 0.9246 0.9503 0.9503 1.2143 1.2143 1.7367 1.7367 1.8133 1.8133 12.3875 12.3875 13.4060 13.4060 13.4754 13.4754 13.9036 13.9036 k = 0.3571 0.3571-0.0000 ( 3136 PWs) bands (ev): -24.0447 -24.0447 -19.6196 -19.6196 -19.3558 -19.3558 -17.8624 -17.8624 -17.6624 -17.6624 -7.8522 -7.8522 -7.6286 -7.6286 -7.5047 -7.5047 -4.5852 -4.5852 -1.7040 -1.7040 -1.4969 -1.4969 -1.0916 -1.0916 -0.8536 -0.8536 -0.0653 -0.0653 0.6136 0.6136 0.9240 0.9240 0.9475 0.9475 1.2062 1.2062 1.7317 1.7317 1.8142 1.8142 12.3190 12.3190 13.4307 13.4307 13.4519 13.4519 13.9199 13.9199 k = 0.3492 0.3492-0.0000 ( 3148 PWs) bands (ev): -24.0465 -24.0465 -19.6376 -19.6376 -19.3468 -19.3468 -17.8585 -17.8585 -17.6638 -17.6638 -7.8454 -7.8454 -7.6197 -7.6197 -7.5055 -7.5055 -4.5491 -4.5491 -1.6691 -1.6691 -1.5362 -1.5362 -1.0989 -1.0989 -0.8335 -0.8335 -0.0713 -0.0713 0.6221 0.6221 0.9222 0.9222 0.9446 0.9446 1.1997 1.1997 1.7262 1.7262 1.8147 1.8147 12.2479 12.2479 13.4291 13.4291 13.4532 13.4532 13.9372 13.9372 k = 0.3413 0.3413-0.0000 ( 3149 PWs) bands (ev): -24.0483 -24.0483 -19.6560 -19.6560 -19.3375 -19.3375 -17.8544 -17.8544 -17.6653 -17.6653 -7.8385 -7.8385 -7.6106 -7.6106 -7.5062 -7.5062 -4.5119 -4.5119 -1.6346 -1.6346 -1.5747 -1.5747 -1.1067 -1.1067 -0.8125 -0.8125 -0.0774 -0.0774 0.6312 0.6312 0.9181 0.9181 0.9425 0.9425 1.1951 1.1951 1.7204 1.7204 1.8147 1.8147 12.1742 12.1742 13.4074 13.4074 13.4724 13.4724 13.9555 13.9555 k = 0.3333 0.3333-0.0000 ( 3151 PWs) bands (ev): -24.0502 -24.0502 -19.6749 -19.6749 -19.3278 -19.3278 -17.8503 -17.8503 -17.6668 -17.6668 -7.8315 -7.8315 -7.6012 -7.6012 -7.5066 -7.5066 -4.4736 -4.4736 -1.6298 -1.6298 -1.5834 -1.5834 -1.1149 -1.1149 -0.7906 -0.7906 -0.0836 -0.0836 0.6411 0.6411 0.9110 0.9110 0.9421 0.9421 1.1923 1.1923 1.7141 1.7141 1.8141 1.8141 12.0980 12.0980 13.3868 13.3868 13.4869 13.4869 13.9748 13.9748 k = 0.3254 0.3254-0.0000 ( 3159 PWs) bands (ev): -24.0522 -24.0522 -19.6942 -19.6942 -19.3178 -19.3178 -17.8462 -17.8462 -17.6685 -17.6685 -7.8244 -7.8244 -7.5916 -7.5916 -7.5068 -7.5068 -4.4345 -4.4345 -1.6694 -1.6694 -1.5475 -1.5475 -1.1236 -1.1236 -0.7677 -0.7677 -0.0898 -0.0898 0.6517 0.6517 0.9013 0.9013 0.9430 0.9430 1.1913 1.1913 1.7074 1.7074 1.8130 1.8130 12.0196 12.0196 13.3674 13.3674 13.4953 13.4953 13.9671 13.9671 k = 0.3175 0.3175-0.0000 ( 3155 PWs) bands (ev): -24.0542 -24.0542 -19.7138 -19.7138 -19.3075 -19.3075 -17.8420 -17.8420 -17.6701 -17.6701 -7.8173 -7.8173 -7.5819 -7.5819 -7.5067 -7.5067 -4.3945 -4.3945 -1.7140 -1.7140 -1.5063 -1.5063 -1.1328 -1.1328 -0.7441 -0.7441 -0.0961 -0.0961 0.6631 0.6631 0.8896 0.8896 0.9450 0.9450 1.1920 1.1920 1.7003 1.7003 1.8113 1.8113 11.9389 11.9389 13.3496 13.3496 13.4962 13.4962 13.8658 13.8658 k = 0.3095 0.3095-0.0000 ( 3151 PWs) bands (ev): -24.0563 -24.0563 -19.7337 -19.7337 -19.2970 -19.2970 -17.8378 -17.8378 -17.6718 -17.6718 -7.8102 -7.8102 -7.5721 -7.5721 -7.5063 -7.5063 -4.3539 -4.3539 -1.7603 -1.7603 -1.4632 -1.4632 -1.1423 -1.1423 -0.7196 -0.7196 -0.1025 -0.1025 0.6750 0.6750 0.8764 0.8764 0.9479 0.9479 1.1943 1.1943 1.6928 1.6928 1.8090 1.8090 11.8562 11.8562 13.3333 13.3333 13.4885 13.4885 13.7655 13.7655 k = 0.3016 0.3016-0.0000 ( 3151 PWs) bands (ev): -24.0585 -24.0585 -19.7537 -19.7537 -19.2862 -19.2862 -17.8336 -17.8336 -17.6735 -17.6735 -7.8031 -7.8031 -7.5623 -7.5623 -7.5056 -7.5056 -4.3126 -4.3126 -1.8077 -1.8077 -1.4186 -1.4186 -1.1522 -1.1522 -0.6943 -0.6943 -0.1088 -0.1088 0.6876 0.6876 0.8620 0.8620 0.9516 0.9516 1.1978 1.1978 1.6848 1.6848 1.8060 1.8060 11.7715 11.7715 13.3187 13.3187 13.4718 13.4718 13.6663 13.6663 k = 0.2937 0.2937-0.0000 ( 3147 PWs) bands (ev): -24.0606 -24.0606 -19.7739 -19.7739 -19.2751 -19.2751 -17.8294 -17.8294 -17.6753 -17.6753 -7.7962 -7.7962 -7.5526 -7.5526 -7.5044 -7.5044 -4.2709 -4.2709 -1.8561 -1.8561 -1.3728 -1.3728 -1.1623 -1.1623 -0.6682 -0.6682 -0.1152 -0.1152 0.7008 0.7008 0.8468 0.8468 0.9561 0.9561 1.2026 1.2026 1.6763 1.6763 1.8022 1.8022 11.6850 11.6850 13.3059 13.3059 13.4462 13.4462 13.5684 13.5684 k = 0.2857 0.2857-0.0000 ( 3149 PWs) bands (ev): -24.0629 -24.0629 -19.7942 -19.7942 -19.2639 -19.2639 -17.8252 -17.8252 -17.6771 -17.6771 -7.7893 -7.7893 -7.5431 -7.5431 -7.5027 -7.5027 -4.2287 -4.2287 -1.9053 -1.9053 -1.3259 -1.3259 -1.1727 -1.1727 -0.6414 -0.6414 -0.1216 -0.1216 0.7146 0.7146 0.8309 0.8309 0.9614 0.9614 1.2082 1.2082 1.6673 1.6673 1.7978 1.7978 11.5969 11.5969 13.2949 13.2949 13.4129 13.4129 13.4718 13.4718 k = 0.2778 0.2778-0.0000 ( 3137 PWs) bands (ev): -24.0652 -24.0652 -19.8145 -19.8145 -19.2526 -19.2526 -17.8210 -17.8210 -17.6789 -17.6789 -7.7826 -7.7826 -7.5340 -7.5340 -7.5003 -7.5003 -4.1863 -4.1863 -1.9551 -1.9551 -1.2783 -1.2783 -1.1832 -1.1832 -0.6139 -0.6139 -0.1279 -0.1279 0.7287 0.7287 0.8148 0.8148 0.9675 0.9675 1.2147 1.2147 1.6580 1.6580 1.7927 1.7927 11.5073 11.5073 13.2859 13.2859 13.3705 13.3705 13.3793 13.3793 k = 0.2698 0.2698-0.0000 ( 3137 PWs) bands (ev): -24.0675 -24.0675 -19.8349 -19.8349 -19.2411 -19.2411 -17.8168 -17.8168 -17.6808 -17.6808 -7.7760 -7.7760 -7.5255 -7.5255 -7.4969 -7.4969 -4.1436 -4.1436 -2.0054 -2.0054 -1.2312 -1.2312 -1.1928 -1.1928 -0.5858 -0.5858 -0.1340 -0.1340 0.7432 0.7432 0.7985 0.7985 0.9745 0.9745 1.2219 1.2219 1.6481 1.6481 1.7868 1.7868 11.4164 11.4164 13.2781 13.2781 13.2827 13.2827 13.3300 13.3300 k = 0.2619 0.2619-0.0000 ( 3137 PWs) bands (ev): -24.0698 -24.0698 -19.8551 -19.8551 -19.2295 -19.2295 -17.8126 -17.8126 -17.6827 -17.6827 -7.7696 -7.7696 -7.5179 -7.5179 -7.4924 -7.4924 -4.1009 -4.1009 -2.0561 -2.0561 -1.2093 -1.2093 -1.1767 -1.1767 -0.5570 -0.5570 -0.1400 -0.1400 0.7573 0.7573 0.7831 0.7831 0.9825 0.9825 1.2296 1.2296 1.6377 1.6377 1.7802 1.7802 11.3245 11.3245 13.1896 13.1896 13.2740 13.2740 13.2826 13.2826 k = 0.2540 0.2540-0.0000 ( 3143 PWs) bands (ev): -24.0722 -24.0722 -19.8753 -19.8753 -19.2178 -19.2178 -17.8085 -17.8085 -17.6846 -17.6846 -7.7635 -7.7635 -7.5116 -7.5116 -7.4864 -7.4864 -4.0581 -4.0581 -2.1070 -2.1070 -1.2187 -1.2187 -1.1293 -1.1293 -0.5277 -0.5277 -0.1456 -0.1456 0.7606 0.7606 0.7788 0.7788 0.9913 0.9913 1.2378 1.2378 1.6268 1.6268 1.7728 1.7728 11.2316 11.2316 13.0989 13.0989 13.2333 13.2333 13.2712 13.2712 k = 0.2460 0.2460-0.0000 ( 3137 PWs) bands (ev): -24.0746 -24.0746 -19.8953 -19.8953 -19.2060 -19.2060 -17.8044 -17.8044 -17.6865 -17.6865 -7.7575 -7.7575 -7.5063 -7.5063 -7.4792 -7.4792 -4.0154 -4.0154 -2.1580 -2.1580 -1.2298 -1.2298 -1.0805 -1.0805 -0.4978 -0.4978 -0.1506 -0.1506 0.7466 0.7466 0.7923 0.7923 1.0012 1.0012 1.2464 1.2464 1.6155 1.6155 1.7648 1.7648 11.1380 11.1380 13.0099 13.0099 13.1831 13.1831 13.2705 13.2705 k = 0.2381 0.2381-0.0000 ( 3141 PWs) bands (ev): -24.0769 -24.0769 -19.9152 -19.9152 -19.1943 -19.1943 -17.8003 -17.8003 -17.6884 -17.6884 -7.7518 -7.7518 -7.5017 -7.5017 -7.4711 -7.4711 -3.9728 -3.9728 -2.2089 -2.2089 -1.2411 -1.2411 -1.0319 -1.0319 -0.4675 -0.4675 -0.1549 -0.1549 0.7307 0.7307 0.8081 0.8081 1.0121 1.0121 1.2552 1.2552 1.6037 1.6037 1.7561 1.7561 11.0440 11.0440 12.9227 12.9227 13.1328 13.1328 13.2718 13.2718 k = 0.2302 0.2302-0.0000 ( 3131 PWs) bands (ev): -24.0793 -24.0793 -19.9348 -19.9348 -19.1825 -19.1825 -17.7963 -17.7963 -17.6903 -17.6903 -7.7464 -7.7464 -7.4975 -7.4975 -7.4625 -7.4625 -3.9304 -3.9304 -2.2595 -2.2595 -1.2525 -1.2525 -0.9841 -0.9841 -0.4367 -0.4367 -0.1581 -0.1581 0.7149 0.7149 0.8245 0.8245 1.0240 1.0240 1.2643 1.2643 1.5913 1.5913 1.7466 1.7466 10.9498 10.9498 12.8373 12.8373 13.0828 13.0828 13.2752 13.2752 k = 0.2222 0.2222-0.0000 ( 3137 PWs) bands (ev): -24.0817 -24.0817 -19.9541 -19.9541 -19.1707 -19.1707 -17.7924 -17.7924 -17.6923 -17.6923 -7.7412 -7.7412 -7.4934 -7.4934 -7.4538 -7.4538 -3.8884 -3.8884 -2.3099 -2.3099 -1.2640 -1.2640 -0.9377 -0.9377 -0.4055 -0.4055 -0.1599 -0.1599 0.6993 0.6993 0.8411 0.8411 1.0369 1.0369 1.2736 1.2736 1.5785 1.5785 1.7366 1.7366 10.8556 10.8556 12.7539 12.7539 13.0337 13.0337 13.2807 13.2807 k = 0.2143 0.2143-0.0000 ( 3137 PWs) bands (ev): -24.0841 -24.0841 -19.9731 -19.9731 -19.1591 -19.1591 -17.7885 -17.7885 -17.6942 -17.6942 -7.7362 -7.7362 -7.4893 -7.4893 -7.4450 -7.4450 -3.8467 -3.8467 -2.3598 -2.3598 -1.2753 -1.2753 -0.8933 -0.8933 -0.3739 -0.3739 -0.1598 -0.1598 0.6840 0.6840 0.8579 0.8579 1.0507 1.0507 1.2829 1.2829 1.5652 1.5652 1.7259 1.7259 10.7617 10.7617 12.6725 12.6725 12.9857 12.9857 13.2882 13.2882 k = 0.2063 0.2063-0.0000 ( 3147 PWs) bands (ev): -24.0865 -24.0865 -19.9917 -19.9917 -19.1475 -19.1475 -17.7847 -17.7847 -17.6961 -17.6961 -7.7315 -7.7315 -7.4851 -7.4851 -7.4363 -7.4363 -3.8055 -3.8055 -2.4092 -2.4092 -1.2866 -1.2866 -0.8516 -0.8516 -0.3421 -0.3421 -0.1572 -0.1572 0.6691 0.6691 0.8748 0.8748 1.0654 1.0654 1.2923 1.2923 1.5515 1.5515 1.7147 1.7147 10.6682 10.6682 12.5932 12.5932 12.9390 12.9390 13.2977 13.2977 k = 0.1984 0.1984-0.0000 ( 3151 PWs) bands (ev): -24.0889 -24.0889 -20.0099 -20.0099 -19.1361 -19.1361 -17.7809 -17.7809 -17.6980 -17.6980 -7.7271 -7.7271 -7.4809 -7.4809 -7.4278 -7.4278 -3.7647 -3.7647 -2.4578 -2.4578 -1.2977 -1.2977 -0.8133 -0.8133 -0.3100 -0.3100 -0.1516 -0.1516 0.6547 0.6547 0.8918 0.8918 1.0811 1.0811 1.3018 1.3018 1.5372 1.5372 1.7029 1.7029 10.5755 10.5755 12.5160 12.5160 12.8938 12.8938 13.3091 13.3091 k = 0.1905 0.1905-0.0000 ( 3147 PWs) bands (ev): -24.0912 -24.0912 -20.0277 -20.0277 -19.1248 -19.1248 -17.7772 -17.7772 -17.6998 -17.6998 -7.7229 -7.7229 -7.4766 -7.4766 -7.4194 -7.4194 -3.7246 -3.7246 -2.5056 -2.5056 -1.3085 -1.3085 -0.7793 -0.7793 -0.2778 -0.2778 -0.1424 -0.1424 0.6407 0.6407 0.9087 0.9087 1.0975 1.0975 1.3112 1.3112 1.5226 1.5226 1.6907 1.6907 10.4837 10.4837 12.4411 12.4411 12.8502 12.8502 13.3224 13.3224 k = 0.1825 0.1825-0.0000 ( 3143 PWs) bands (ev): -24.0935 -24.0935 -20.0451 -20.0451 -19.1136 -19.1136 -17.7736 -17.7736 -17.7016 -17.7016 -7.7189 -7.7189 -7.4722 -7.4722 -7.4113 -7.4113 -3.6851 -3.6851 -2.5523 -2.5523 -1.3192 -1.3192 -0.7500 -0.7500 -0.2454 -0.2454 -0.1290 -0.1290 0.6272 0.6272 0.9257 0.9257 1.1147 1.1147 1.3205 1.3205 1.5075 1.5075 1.6781 1.6781 10.3932 10.3932 12.3686 12.3686 12.8083 12.8083 13.3374 13.3374 k = 0.1746 0.1746-0.0000 ( 3143 PWs) bands (ev): -24.0957 -24.0957 -20.0619 -20.0619 -19.1027 -19.1027 -17.7701 -17.7701 -17.7034 -17.7034 -7.7152 -7.7152 -7.4678 -7.4678 -7.4034 -7.4034 -3.6463 -3.6463 -2.5980 -2.5980 -1.3297 -1.3297 -0.7260 -0.7260 -0.2130 -0.2130 -0.1111 -0.1111 0.6143 0.6143 0.9425 0.9425 1.1326 1.1326 1.3298 1.3298 1.4920 1.4920 1.6650 1.6650 10.3042 10.3042 12.2984 12.2984 12.7681 12.7681 13.3542 13.3542 k = 0.1667 0.1667-0.0000 ( 3141 PWs) bands (ev): -24.0980 -24.0980 -20.0782 -20.0782 -19.0921 -19.0921 -17.7667 -17.7667 -17.7052 -17.7052 -7.7117 -7.7117 -7.4634 -7.4634 -7.3957 -7.3957 -3.6084 -3.6084 -2.6425 -2.6425 -1.3398 -1.3398 -0.7076 -0.7076 -0.1807 -0.1807 -0.0885 -0.0885 0.6018 0.6018 0.9593 0.9593 1.1510 1.1510 1.3389 1.3389 1.4762 1.4762 1.6517 1.6517 10.2168 10.2168 12.2308 12.2308 12.7296 12.7296 13.3724 13.3724 k = 0.1587 0.1587-0.0000 ( 3137 PWs) bands (ev): -24.1001 -24.1001 -20.0940 -20.0940 -19.0817 -19.0817 -17.7634 -17.7634 -17.7069 -17.7069 -7.7083 -7.7083 -7.4590 -7.4590 -7.3884 -7.3884 -3.5713 -3.5713 -2.6857 -2.6857 -1.3497 -1.3497 -0.6946 -0.6946 -0.1485 -0.1485 -0.0616 -0.0616 0.5900 0.5900 0.9758 0.9758 1.1699 1.1699 1.3479 1.3479 1.4600 1.4600 1.6380 1.6380 10.1314 10.1314 12.1657 12.1657 12.6929 12.6929 13.3921 13.3921 k = 0.1508 0.1508-0.0000 ( 3145 PWs) bands (ev): -24.1022 -24.1022 -20.1091 -20.1091 -19.0716 -19.0716 -17.7602 -17.7602 -17.7085 -17.7085 -7.7052 -7.7052 -7.4546 -7.4546 -7.3814 -7.3814 -3.5351 -3.5351 -2.7276 -2.7276 -1.3592 -1.3592 -0.6866 -0.6866 -0.1165 -0.1165 -0.0309 -0.0309 0.5786 0.5786 0.9922 0.9922 1.1890 1.1890 1.3567 1.3567 1.4436 1.4436 1.6242 1.6242 10.0481 10.0481 12.1031 12.1031 12.6580 12.6580 13.4132 13.4132 k = 0.1429 0.1429-0.0000 ( 3141 PWs) bands (ev): -24.1042 -24.1042 -20.1236 -20.1236 -19.0618 -19.0618 -17.7572 -17.7572 -17.7101 -17.7101 -7.7023 -7.7023 -7.4503 -7.4503 -7.3747 -7.3747 -3.5000 -3.5000 -2.7678 -2.7678 -1.3683 -1.3683 -0.6830 -0.6830 -0.0848 -0.0848 0.0029 0.0029 0.5679 0.5679 1.0083 1.0083 1.2084 1.2084 1.3652 1.3652 1.4269 1.4269 1.6103 1.6103 9.9673 9.9673 12.0434 12.0434 12.6248 12.6248 13.4353 13.4353 k = 0.1349 0.1349-0.0000 ( 3141 PWs) bands (ev): -24.1062 -24.1062 -20.1375 -20.1375 -19.0524 -19.0524 -17.7542 -17.7542 -17.7117 -17.7117 -7.6996 -7.6996 -7.4461 -7.4461 -7.3683 -7.3683 -3.4660 -3.4660 -2.8065 -2.8065 -1.3770 -1.3770 -0.6831 -0.6831 -0.0535 -0.0535 0.0391 0.0391 0.5577 0.5577 1.0241 1.0241 1.2279 1.2279 1.3735 1.3735 1.4100 1.4100 1.5962 1.5962 9.8891 9.8891 11.9864 11.9864 12.5935 12.5935 13.4585 13.4585 k = 0.1270 0.1270-0.0000 ( 3143 PWs) bands (ev): -24.1081 -24.1081 -20.1508 -20.1508 -19.0434 -19.0434 -17.7514 -17.7514 -17.7132 -17.7132 -7.6970 -7.6970 -7.4420 -7.4420 -7.3622 -7.3622 -3.4332 -3.4332 -2.8435 -2.8435 -1.3854 -1.3854 -0.6863 -0.6863 -0.0227 -0.0227 0.0768 0.0768 0.5480 0.5480 1.0396 1.0396 1.2472 1.2472 1.3815 1.3815 1.3931 1.3931 1.5822 1.5822 9.8138 9.8138 11.9322 11.9322 12.5639 12.5639 13.4824 13.4824 k = 0.1190 0.1190-0.0000 ( 3131 PWs) bands (ev): -24.1099 -24.1099 -20.1633 -20.1633 -19.0347 -19.0347 -17.7487 -17.7487 -17.7146 -17.7146 -7.6946 -7.6946 -7.4381 -7.4381 -7.3564 -7.3564 -3.4016 -3.4016 -2.8786 -2.8786 -1.3933 -1.3933 -0.6918 -0.6918 0.0075 0.0075 0.1152 0.1152 0.5390 0.5390 1.0548 1.0548 1.2663 1.2663 1.3759 1.3759 1.3894 1.3894 1.5683 1.5683 9.7416 9.7416 11.8810 11.8810 12.5361 12.5361 13.5070 13.5070 k = 0.1111 0.1111-0.0000 ( 3137 PWs) bands (ev): -24.1116 -24.1116 -20.1751 -20.1751 -19.0265 -19.0265 -17.7461 -17.7461 -17.7160 -17.7160 -7.6924 -7.6924 -7.4344 -7.4344 -7.3511 -7.3511 -3.3715 -3.3715 -2.9119 -2.9119 -1.4007 -1.4007 -0.6992 -0.6992 0.0370 0.0370 0.1536 0.1536 0.5306 0.5306 1.0695 1.0695 1.2850 1.2850 1.3590 1.3590 1.3968 1.3968 1.5545 1.5545 9.6728 9.6728 11.8326 11.8326 12.5100 12.5100 13.5319 13.5319 k = 0.1032 0.1032-0.0000 ( 3135 PWs) bands (ev): -24.1132 -24.1132 -20.1862 -20.1862 -19.0188 -19.0188 -17.7437 -17.7437 -17.7172 -17.7172 -7.6903 -7.6903 -7.4309 -7.4309 -7.3460 -7.3460 -3.3428 -3.3428 -2.9433 -2.9433 -1.4077 -1.4077 -0.7079 -0.7079 0.0657 0.0657 0.1916 0.1916 0.5227 0.5227 1.0838 1.0838 1.3031 1.3031 1.3423 1.3423 1.4039 1.4039 1.5409 1.5409 9.6075 9.6075 11.7874 11.7874 12.4858 12.4858 13.5571 13.5571 k = 0.0952 0.0952-0.0000 ( 3133 PWs) bands (ev): -24.1147 -24.1147 -20.1966 -20.1966 -19.0115 -19.0115 -17.7414 -17.7414 -17.7184 -17.7184 -7.6884 -7.6884 -7.4275 -7.4275 -7.3413 -7.3413 -3.3157 -3.3157 -2.9726 -2.9726 -1.4142 -1.4142 -0.7174 -0.7174 0.0934 0.0934 0.2284 0.2284 0.5155 0.5155 1.0977 1.0977 1.3196 1.3196 1.3266 1.3266 1.4106 1.4106 1.5277 1.5277 9.5461 9.5461 11.7453 11.7453 12.4633 12.4633 13.5821 13.5821 k = 0.0873 0.0873-0.0000 ( 3131 PWs) bands (ev): -24.1162 -24.1162 -20.2062 -20.2062 -19.0048 -19.0048 -17.7393 -17.7393 -17.7196 -17.7196 -7.6867 -7.6867 -7.4244 -7.4244 -7.3369 -7.3369 -3.2902 -3.2902 -2.9998 -2.9998 -1.4202 -1.4202 -0.7274 -0.7274 0.1200 0.1200 0.2637 0.2637 0.5089 0.5089 1.1110 1.1110 1.3093 1.3093 1.3371 1.3371 1.4171 1.4171 1.5150 1.5150 9.4886 9.4886 11.7063 11.7063 12.4426 12.4426 13.6069 13.6069 k = 0.0794 0.0794-0.0000 ( 3131 PWs) bands (ev): -24.1175 -24.1175 -20.2150 -20.2150 -18.9985 -18.9985 -17.7374 -17.7374 -17.7206 -17.7206 -7.6851 -7.6851 -7.4216 -7.4216 -7.3329 -7.3329 -3.2666 -3.2666 -3.0248 -3.0248 -1.4258 -1.4258 -0.7376 -0.7376 0.1452 0.1452 0.2970 0.2970 0.5029 0.5029 1.1237 1.1237 1.2940 1.2940 1.3521 1.3521 1.4232 1.4232 1.5028 1.5028 9.4353 9.4353 11.6705 11.6705 12.4236 12.4236 13.6310 13.6310 k = 0.0714 0.0714-0.0000 ( 3127 PWs) bands (ev): -24.1187 -24.1187 -20.2230 -20.2230 -18.9928 -18.9928 -17.7356 -17.7356 -17.7215 -17.7215 -7.6836 -7.6836 -7.4190 -7.4190 -7.3293 -7.3293 -3.2448 -3.2448 -3.0476 -3.0476 -1.4308 -1.4308 -0.7476 -0.7476 0.1689 0.1689 0.3280 0.3280 0.4976 0.4976 1.1358 1.1358 1.2793 1.2793 1.3656 1.3656 1.4291 1.4291 1.4915 1.4915 9.3865 9.3865 11.6380 11.6380 12.4065 12.4065 13.6541 13.6541 k = 0.0635 0.0635-0.0000 ( 3131 PWs) bands (ev): -24.1198 -24.1198 -20.2302 -20.2302 -18.9877 -18.9877 -17.7340 -17.7340 -17.7224 -17.7224 -7.6824 -7.6824 -7.4166 -7.4166 -7.3260 -7.3260 -3.2250 -3.2250 -3.0682 -3.0682 -1.4353 -1.4353 -0.7572 -0.7572 0.1909 0.1909 0.3564 0.3564 0.4930 0.4930 1.1470 1.1470 1.2655 1.2655 1.3773 1.3773 1.4347 1.4347 1.4811 1.4811 9.3422 9.3422 11.6087 11.6087 12.3911 12.3911 13.6761 13.6761 k = 0.0556 0.0556-0.0000 ( 3121 PWs) bands (ev): -24.1207 -24.1207 -20.2365 -20.2365 -18.9831 -18.9831 -17.7326 -17.7326 -17.7231 -17.7231 -7.6812 -7.6812 -7.4145 -7.4145 -7.3231 -7.3231 -3.2073 -3.2073 -3.0864 -3.0864 -1.4393 -1.4393 -0.7662 -0.7662 0.2111 0.2111 0.3818 0.3818 0.4892 0.4892 1.1572 1.1572 1.2531 1.2531 1.3867 1.3867 1.4401 1.4401 1.4721 1.4721 9.3027 9.3027 11.5828 11.5828 12.3776 12.3776 13.6965 13.6965 k = 0.0476 0.0476-0.0000 ( 3125 PWs) bands (ev): -24.1216 -24.1216 -20.2421 -20.2421 -18.9791 -18.9791 -17.7314 -17.7314 -17.7238 -17.7238 -7.6802 -7.6802 -7.4127 -7.4127 -7.3206 -7.3206 -3.1918 -3.1918 -3.1022 -3.1022 -1.4428 -1.4428 -0.7744 -0.7744 0.2291 0.2291 0.4038 0.4038 0.4862 0.4862 1.1662 1.1662 1.2422 1.2422 1.3935 1.3935 1.4453 1.4453 1.4649 1.4649 9.2681 9.2681 11.5603 11.5603 12.3658 12.3658 13.7151 13.7151 k = 0.0397 0.0397-0.0000 ( 3121 PWs) bands (ev): -24.1223 -24.1223 -20.2468 -20.2468 -18.9757 -18.9757 -17.7303 -17.7303 -17.7244 -17.7244 -7.6794 -7.6794 -7.4112 -7.4112 -7.3185 -7.3185 -3.1786 -3.1786 -3.1156 -3.1156 -1.4458 -1.4458 -0.7816 -0.7816 0.2448 0.2448 0.4222 0.4222 0.4842 0.4842 1.1736 1.1736 1.2333 1.2333 1.3976 1.3976 1.4498 1.4498 1.4601 1.4601 9.2386 9.2386 11.5412 11.5412 12.3558 12.3558 13.7314 13.7314 k = 0.0317 0.0317-0.0000 ( 3115 PWs) bands (ev): -24.1229 -24.1229 -20.2506 -20.2506 -18.9729 -18.9729 -17.7294 -17.7294 -17.7248 -17.7248 -7.6787 -7.6787 -7.4099 -7.4099 -7.3167 -7.3167 -3.1678 -3.1678 -3.1264 -3.1264 -1.4482 -1.4482 -0.7877 -0.7877 0.2580 0.2580 0.4366 0.4366 0.4835 0.4835 1.1789 1.1789 1.2268 1.2268 1.3991 1.3991 1.4522 1.4522 1.4588 1.4588 9.2143 9.2143 11.5255 11.5255 12.3477 12.3477 13.7453 13.7453 k = 0.0238 0.0238-0.0000 ( 3115 PWs) bands (ev): -24.1233 -24.1233 -20.2536 -20.2536 -18.9707 -18.9707 -17.7287 -17.7287 -17.7252 -17.7252 -7.6781 -7.6781 -7.4089 -7.4089 -7.3153 -7.3153 -3.1598 -3.1598 -3.1345 -3.1345 -1.4501 -1.4501 -0.7926 -0.7926 0.2685 0.2685 0.4467 0.4467 0.4842 0.4842 1.1820 1.1820 1.2229 1.2229 1.3988 1.3988 1.4521 1.4521 1.4611 1.4611 9.1953 9.1953 11.5133 11.5133 12.3413 12.3413 13.7564 13.7564 k = 0.0159 0.0159-0.0000 ( 3115 PWs) bands (ev): -24.1237 -24.1237 -20.2558 -20.2558 -18.9691 -18.9691 -17.7283 -17.7283 -17.7254 -17.7254 -7.6778 -7.6778 -7.4082 -7.4082 -7.3144 -7.3144 -3.1548 -3.1548 -3.1395 -3.1395 -1.4514 -1.4514 -0.7961 -0.7961 0.2761 0.2761 0.4526 0.4526 0.4860 0.4860 1.1832 1.1832 1.2213 1.2213 1.3977 1.3977 1.4517 1.4517 1.4638 1.4638 9.1816 9.1816 11.5045 11.5045 12.3368 12.3368 13.7645 13.7645 k = 0.0079 0.0079-0.0000 ( 3111 PWs) bands (ev): -24.1239 -24.1239 -20.2571 -20.2571 -18.9682 -18.9682 -17.7280 -17.7280 -17.7256 -17.7256 -7.6775 -7.6775 -7.4078 -7.4078 -7.3138 -7.3138 -3.1531 -3.1531 -3.1412 -3.1412 -1.4522 -1.4522 -0.7983 -0.7983 0.2807 0.2807 0.4555 0.4555 0.4879 0.4879 1.1832 1.1832 1.2210 1.2210 1.3967 1.3967 1.4516 1.4516 1.4656 1.4656 9.1734 9.1734 11.4993 11.4993 12.3341 12.3341 13.7695 13.7695 k = 0.0000 0.0000 0.0000 ( 3107 PWs) bands (ev): -24.1239 -24.1239 -20.2575 -20.2575 -18.9679 -18.9679 -17.7279 -17.7279 -17.7257 -17.7257 -7.6775 -7.6775 -7.4077 -7.4077 -7.3135 -7.3135 -3.1530 -3.1530 -3.1413 -3.1413 -1.4525 -1.4525 -0.7990 -0.7990 0.2823 0.2823 0.4563 0.4563 0.4886 0.4886 1.1832 1.1832 1.2210 1.2210 1.3963 1.3963 1.4516 1.4516 1.4662 1.4662 9.1706 9.1706 11.4976 11.4976 12.3331 12.3331 13.7712 13.7712 k = 0.0000 0.0000 0.0000 ( 3107 PWs) bands (ev): -24.1239 -24.1239 -20.2575 -20.2575 -18.9679 -18.9679 -17.7279 -17.7279 -17.7257 -17.7257 -7.6775 -7.6775 -7.4077 -7.4077 -7.3135 -7.3135 -3.1530 -3.1530 -3.1413 -3.1413 -1.4525 -1.4525 -0.7990 -0.7990 0.2823 0.2823 0.4563 0.4563 0.4886 0.4886 1.1832 1.1832 1.2210 1.2210 1.3963 1.3963 1.4516 1.4516 1.4662 1.4662 9.1706 9.1706 11.4976 11.4976 12.3331 12.3331 13.7712 13.7712 k = 0.0000 0.0000 0.0111 ( 3103 PWs) bands (ev): -24.1239 -24.1239 -20.2575 -20.2575 -18.9678 -18.9678 -17.7348 -17.7348 -17.7187 -17.7187 -7.6774 -7.6774 -7.4077 -7.4077 -7.3135 -7.3135 -3.1530 -3.1530 -3.1413 -3.1413 -1.4548 -1.4548 -0.7954 -0.7954 0.2823 0.2823 0.4563 0.4563 0.4886 0.4886 1.1828 1.1828 1.2207 1.2207 1.3955 1.3955 1.4509 1.4509 1.4666 1.4666 9.1733 9.1733 11.4979 11.4979 12.3322 12.3322 13.7405 13.7405 k = 0.0000 0.0000 0.0222 ( 3127 PWs) bands (ev): -24.1239 -24.1239 -20.2575 -20.2575 -18.9679 -18.9679 -17.7427 -17.7427 -17.7108 -17.7108 -7.6775 -7.6775 -7.4077 -7.4077 -7.3136 -7.3136 -3.1531 -3.1531 -3.1414 -3.1414 -1.4615 -1.4615 -0.7848 -0.7848 0.2822 0.2822 0.4563 0.4563 0.4886 0.4886 1.1817 1.1817 1.2197 1.2197 1.3926 1.3926 1.4493 1.4493 1.4677 1.4677 9.1814 9.1814 11.4988 11.4988 12.3290 12.3290 13.6753 13.6753 k = 0.0000 0.0000 0.0334 ( 3131 PWs) bands (ev): -24.1239 -24.1239 -20.2575 -20.2575 -18.9679 -18.9679 -17.7506 -17.7506 -17.7030 -17.7030 -7.6774 -7.6774 -7.4076 -7.4076 -7.3135 -7.3135 -3.1531 -3.1531 -3.1415 -3.1415 -1.4721 -1.4721 -0.7674 -0.7674 0.2822 0.2822 0.4563 0.4563 0.4886 0.4886 1.1799 1.1799 1.2180 1.2180 1.3869 1.3869 1.4474 1.4474 1.4695 1.4695 9.1948 9.1948 11.5003 11.5003 12.3235 12.3235 13.5997 13.5997 k = 0.0000 0.0000 0.0445 ( 3131 PWs) bands (ev): -24.1239 -24.1239 -20.2575 -20.2575 -18.9679 -18.9679 -17.7584 -17.7584 -17.6952 -17.6952 -7.6773 -7.6773 -7.4076 -7.4076 -7.3135 -7.3135 -3.1532 -3.1532 -3.1416 -3.1416 -1.4861 -1.4861 -0.7442 -0.7442 0.2821 0.2821 0.4562 0.4562 0.4886 0.4886 1.1776 1.1776 1.2158 1.2158 1.3777 1.3777 1.4461 1.4461 1.4720 1.4720 9.2136 9.2136 11.5023 11.5023 12.3151 12.3151 13.5214 13.5214 k = 0.0000 0.0000 0.0556 ( 3130 PWs) bands (ev): -24.1239 -24.1239 -20.2575 -20.2575 -18.9679 -18.9679 -17.7661 -17.7661 -17.6875 -17.6875 -7.6772 -7.6772 -7.4075 -7.4075 -7.3135 -7.3135 -3.1534 -3.1534 -3.1417 -3.1417 -1.5027 -1.5027 -0.7156 -0.7156 0.2820 0.2820 0.4562 0.4562 0.4886 0.4886 1.1746 1.1746 1.2130 1.2130 1.3642 1.3642 1.4461 1.4461 1.4751 1.4751 9.2375 9.2375 11.5050 11.5050 12.3032 12.3032 13.4435 13.4435 k = 0.0000 0.0000 0.0667 ( 3126 PWs) bands (ev): -24.1238 -24.1238 -20.2574 -20.2574 -18.9679 -18.9679 -17.7736 -17.7736 -17.6800 -17.6800 -7.6771 -7.6771 -7.4074 -7.4074 -7.3134 -7.3134 -3.1536 -3.1536 -3.1419 -3.1419 -1.5212 -1.5212 -0.6825 -0.6825 0.2819 0.2819 0.4562 0.4562 0.4886 0.4886 1.1712 1.1712 1.2098 1.2098 1.3464 1.3464 1.4474 1.4474 1.4787 1.4787 9.2667 9.2667 11.5081 11.5081 12.2868 12.2868 13.3681 13.3681 k = 0.0000 0.0000 0.0778 ( 3130 PWs) bands (ev): -24.1238 -24.1238 -20.2574 -20.2574 -18.9679 -18.9679 -17.7810 -17.7810 -17.6726 -17.6726 -7.6770 -7.6770 -7.4073 -7.4073 -7.3134 -7.3134 -3.1538 -3.1538 -3.1421 -3.1421 -1.5410 -1.5410 -0.6455 -0.6455 0.2818 0.2818 0.4562 0.4562 0.4886 0.4886 1.1673 1.1673 1.2063 1.2063 1.3244 1.3244 1.4498 1.4498 1.4828 1.4828 9.3008 9.3008 11.5117 11.5117 12.2648 12.2648 13.2968 13.2968 k = 0.0000 0.0000 0.0890 ( 3134 PWs) bands (ev): -24.1238 -24.1238 -20.2574 -20.2574 -18.9679 -18.9679 -17.7882 -17.7882 -17.6655 -17.6655 -7.6769 -7.6769 -7.4072 -7.4072 -7.3133 -7.3133 -3.1540 -3.1540 -3.1423 -3.1423 -1.5616 -1.5616 -0.6051 -0.6051 0.2816 0.2816 0.4562 0.4562 0.4885 0.4885 1.1631 1.1631 1.2024 1.2024 1.2987 1.2987 1.4531 1.4531 1.4871 1.4871 9.3400 9.3400 11.5157 11.5157 12.2362 12.2362 13.2310 13.2310 k = 0.0000 0.0000 0.1001 ( 3138 PWs) bands (ev): -24.1238 -24.1238 -20.2573 -20.2573 -18.9679 -18.9679 -17.7952 -17.7952 -17.6585 -17.6585 -7.6767 -7.6767 -7.4071 -7.4071 -7.3132 -7.3132 -3.1543 -3.1543 -3.1425 -3.1425 -1.5826 -1.5826 -0.5619 -0.5619 0.2815 0.2815 0.4561 0.4561 0.4885 0.4885 1.1586 1.1586 1.1983 1.1983 1.2696 1.2696 1.4569 1.4569 1.4918 1.4918 9.3839 9.3839 11.5201 11.5201 12.1998 12.1998 13.1722 13.1722 k = 0.0000 0.0000 0.1112 ( 3134 PWs) bands (ev): -24.1237 -24.1237 -20.2572 -20.2572 -18.9679 -18.9679 -17.8019 -17.8019 -17.6518 -17.6518 -7.6766 -7.6766 -7.4070 -7.4070 -7.3132 -7.3132 -3.1545 -3.1545 -3.1427 -3.1427 -1.6034 -1.6034 -0.5161 -0.5161 0.2813 0.2813 0.4561 0.4561 0.4885 0.4885 1.1537 1.1537 1.1942 1.1942 1.2375 1.2375 1.4612 1.4612 1.4966 1.4966 9.4325 9.4325 11.5247 11.5247 12.1547 12.1547 13.1214 13.1214 k = 0.0000 0.0000 0.1223 ( 3134 PWs) bands (ev): -24.1237 -24.1237 -20.2572 -20.2572 -18.9679 -18.9679 -17.8083 -17.8083 -17.6454 -17.6454 -7.6764 -7.6764 -7.4069 -7.4069 -7.3131 -7.3131 -3.1548 -3.1548 -3.1430 -3.1430 -1.6239 -1.6239 -0.4682 -0.4682 0.2812 0.2812 0.4561 0.4561 0.4885 0.4885 1.1482 1.1482 1.1899 1.1899 1.2029 1.2029 1.4658 1.4658 1.5014 1.5014 9.4857 9.4857 11.5296 11.5296 12.1006 12.1006 13.0791 13.0791 k = 0.0000 0.0000 0.1334 ( 3142 PWs) bands (ev): -24.1236 -24.1236 -20.2571 -20.2571 -18.9679 -18.9679 -17.8145 -17.8145 -17.6393 -17.6393 -7.6762 -7.6762 -7.4068 -7.4068 -7.3130 -7.3130 -3.1551 -3.1551 -3.1433 -3.1433 -1.6439 -1.6439 -0.4185 -0.4185 0.2810 0.2810 0.4560 0.4560 0.4885 0.4885 1.1397 1.1397 1.1685 1.1685 1.1856 1.1856 1.4704 1.4704 1.5063 1.5063 9.5432 9.5432 11.5347 11.5347 12.0375 12.0375 13.0453 13.0453 k = 0.0000 0.0000 0.1446 ( 3142 PWs) bands (ev): -24.1236 -24.1236 -20.2571 -20.2571 -18.9679 -18.9679 -17.8203 -17.8203 -17.6335 -17.6335 -7.6761 -7.6761 -7.4066 -7.4066 -7.3130 -7.3130 -3.1554 -3.1554 -3.1435 -3.1435 -1.6630 -1.6630 -0.3671 -0.3671 0.2808 0.2808 0.4560 0.4560 0.4885 0.4885 1.1148 1.1148 1.1480 1.1480 1.1814 1.1814 1.4751 1.4751 1.5112 1.5112 9.6049 9.6049 11.5399 11.5399 11.9661 11.9661 13.0193 13.0193 k = 0.0000 0.0000 0.1557 ( 3142 PWs) bands (ev): -24.1236 -24.1236 -20.2570 -20.2570 -18.9679 -18.9679 -17.8258 -17.8258 -17.6281 -17.6281 -7.6759 -7.6759 -7.4065 -7.4065 -7.3129 -7.3129 -3.1557 -3.1557 -3.1438 -3.1438 -1.6812 -1.6812 -0.3143 -0.3143 0.2806 0.2806 0.4560 0.4560 0.4885 0.4885 1.0746 1.0746 1.1406 1.1406 1.1774 1.1774 1.4798 1.4798 1.5159 1.5159 9.6706 9.6706 11.5450 11.5450 11.8874 11.8874 13.0004 13.0004 k = 0.0000 0.0000 0.1668 ( 3142 PWs) bands (ev): -24.1235 -24.1235 -20.2570 -20.2570 -18.9679 -18.9679 -17.8309 -17.8309 -17.6230 -17.6230 -7.6757 -7.6757 -7.4063 -7.4063 -7.3128 -7.3128 -3.1560 -3.1560 -3.1441 -3.1441 -1.6983 -1.6983 -0.2603 -0.2603 0.2804 0.2804 0.4559 0.4559 0.4885 0.4885 1.0299 1.0299 1.1356 1.1356 1.1735 1.1735 1.4842 1.4842 1.5204 1.5204 9.7401 9.7401 11.5501 11.5501 11.8025 11.8025 12.9873 12.9873 k = 0.0000 0.0000 0.1779 ( 3142 PWs) bands (ev): -24.1235 -24.1235 -20.2569 -20.2569 -18.9679 -18.9679 -17.8356 -17.8356 -17.6183 -17.6183 -7.6755 -7.6755 -7.4062 -7.4062 -7.3127 -7.3127 -3.1562 -3.1562 -3.1443 -3.1443 -1.7142 -1.7142 -0.2054 -0.2054 0.2803 0.2803 0.4559 0.4559 0.4884 0.4884 0.9829 0.9829 1.1313 1.1313 1.1698 1.1698 1.4885 1.4885 1.5248 1.5248 9.8133 9.8133 11.5551 11.5551 11.7126 11.7126 12.9790 12.9790 k = 0.0000 0.0000 0.1891 ( 3146 PWs) bands (ev): -24.1234 -24.1234 -20.2569 -20.2569 -18.9679 -18.9679 -17.8400 -17.8400 -17.6140 -17.6140 -7.6754 -7.6754 -7.4061 -7.4061 -7.3127 -7.3127 -3.1565 -3.1565 -3.1446 -3.1446 -1.7289 -1.7289 -0.1496 -0.1496 0.2801 0.2801 0.4558 0.4558 0.4884 0.4884 0.9340 0.9340 1.1275 1.1275 1.1663 1.1663 1.4926 1.4926 1.5288 1.5288 9.8900 9.8900 11.5599 11.5599 11.6187 11.6187 12.9743 12.9743 k = 0.0000 0.0000 0.2002 ( 3146 PWs) bands (ev): -24.1234 -24.1234 -20.2568 -20.2568 -18.9679 -18.9679 -17.8439 -17.8439 -17.6101 -17.6101 -7.6752 -7.6752 -7.4060 -7.4060 -7.3126 -7.3126 -3.1568 -3.1568 -3.1448 -3.1448 -1.7422 -1.7422 -0.0934 -0.0934 0.2800 0.2800 0.4558 0.4558 0.4884 0.4884 0.8836 0.8836 1.1240 1.1240 1.1631 1.1631 1.4963 1.4963 1.5325 1.5325 9.9699 9.9699 11.5218 11.5218 11.5644 11.5644 12.9722 12.9722 k = 0.0000 0.0000 0.2113 ( 3158 PWs) bands (ev): -24.1234 -24.1234 -20.2568 -20.2568 -18.9679 -18.9679 -17.8474 -17.8474 -17.6066 -17.6066 -7.6751 -7.6751 -7.4059 -7.4059 -7.3126 -7.3126 -3.1570 -3.1570 -3.1450 -3.1450 -1.7540 -1.7540 -0.0368 -0.0368 0.2798 0.2798 0.4557 0.4557 0.4884 0.4884 0.8321 0.8321 1.1209 1.1209 1.1603 1.1603 1.4997 1.4997 1.5359 1.5359 10.0527 10.0527 11.4228 11.4228 11.5685 11.5685 12.9721 12.9721 k = 0.0000 0.0000 0.2224 ( 3162 PWs) bands (ev): -24.1233 -24.1233 -20.2568 -20.2568 -18.9679 -18.9679 -17.8505 -17.8505 -17.6035 -17.6035 -7.6750 -7.6750 -7.4058 -7.4058 -7.3125 -7.3125 -3.1572 -3.1572 -3.1452 -3.1452 -1.7644 -1.7644 0.0196 0.0196 0.2797 0.2797 0.4555 0.4555 0.4884 0.4884 0.7799 0.7799 1.1183 1.1183 1.1577 1.1577 1.5027 1.5027 1.5389 1.5389 10.1384 10.1384 11.3223 11.3223 11.5722 11.5722 12.9733 12.9733 k = 0.0000 0.0000 0.2335 ( 3162 PWs) bands (ev): -24.1233 -24.1233 -20.2568 -20.2568 -18.9679 -18.9679 -17.8531 -17.8531 -17.6009 -17.6009 -7.6749 -7.6749 -7.4057 -7.4057 -7.3125 -7.3125 -3.1574 -3.1574 -3.1454 -3.1454 -1.7732 -1.7732 0.0755 0.0755 0.2796 0.2796 0.4554 0.4554 0.4884 0.4884 0.7276 0.7276 1.1160 1.1160 1.1556 1.1556 1.5053 1.5053 1.5415 1.5415 10.2266 10.2266 11.2211 11.2211 11.5755 11.5755 12.9751 12.9751 k = 0.0000 0.0000 0.2447 ( 3162 PWs) bands (ev): -24.1233 -24.1233 -20.2567 -20.2567 -18.9679 -18.9679 -17.8553 -17.8553 -17.5988 -17.5988 -7.6748 -7.6748 -7.4057 -7.4057 -7.3124 -7.3124 -3.1575 -3.1575 -3.1455 -3.1455 -1.7805 -1.7805 0.1300 0.1300 0.2795 0.2795 0.4552 0.4552 0.4884 0.4884 0.6761 0.6761 1.1140 1.1140 1.1538 1.1538 1.5074 1.5074 1.5436 1.5436 10.3168 10.3168 11.1198 11.1198 11.5782 11.5782 12.9772 12.9772 k = 0.0000 0.0000 0.2558 ( 3162 PWs) bands (ev): -24.1233 -24.1233 -20.2567 -20.2567 -18.9679 -18.9679 -17.8569 -17.8569 -17.5971 -17.5971 -7.6747 -7.6747 -7.4056 -7.4056 -7.3124 -7.3124 -3.1576 -3.1576 -3.1456 -3.1456 -1.7862 -1.7862 0.1817 0.1817 0.2794 0.2794 0.4547 0.4547 0.4884 0.4884 0.6269 0.6269 1.1126 1.1126 1.1523 1.1523 1.5091 1.5091 1.5453 1.5453 10.4087 10.4087 11.0192 11.0192 11.5804 11.5804 12.9792 12.9792 k = 0.0000 0.0000 0.2669 ( 3178 PWs) bands (ev): -24.1233 -24.1233 -20.2567 -20.2567 -18.9679 -18.9679 -17.8581 -17.8581 -17.5960 -17.5960 -7.6747 -7.6747 -7.4056 -7.4056 -7.3124 -7.3124 -3.1578 -3.1578 -3.1457 -3.1457 -1.7902 -1.7902 0.2279 0.2279 0.2794 0.2794 0.4540 0.4540 0.4883 0.4883 0.5829 0.5829 1.1115 1.1115 1.1513 1.1513 1.5103 1.5103 1.5465 1.5465 10.5009 10.5009 10.9206 10.9206 11.5820 11.5820 12.9807 12.9807 k = 0.0000 0.0000 0.2780 ( 3178 PWs) bands (ev): -24.1233 -24.1233 -20.2567 -20.2567 -18.9679 -18.9679 -17.8589 -17.8589 -17.5953 -17.5953 -7.6746 -7.6746 -7.4056 -7.4056 -7.3124 -7.3124 -3.1578 -3.1578 -3.1458 -3.1458 -1.7927 -1.7927 0.2626 0.2626 0.2793 0.2793 0.4529 0.4529 0.4883 0.4883 0.5502 0.5502 1.1108 1.1108 1.1507 1.1507 1.5111 1.5111 1.5472 1.5472 10.5890 10.5890 10.8286 10.8286 11.5829 11.5829 12.9818 12.9818 k = 0.0000 0.0000 0.2891 ( 3162 PWs) bands (ev): -24.1233 -24.1233 -20.2567 -20.2567 -18.9679 -18.9679 -17.8591 -17.8591 -17.5950 -17.5950 -7.6746 -7.6746 -7.4055 -7.4055 -7.3124 -7.3124 -3.1578 -3.1578 -3.1458 -3.1458 -1.7935 -1.7935 0.2764 0.2764 0.2794 0.2794 0.4522 0.4522 0.4883 0.4883 0.5375 0.5375 1.1106 1.1106 1.1505 1.1505 1.5113 1.5113 1.5475 1.5475 10.6418 10.6418 10.7746 10.7746 11.5832 11.5832 12.9822 12.9822 k = 0.0000 0.0000 0.2891 ( 3162 PWs) bands (ev): -24.1233 -24.1233 -20.2567 -20.2567 -18.9679 -18.9679 -17.8591 -17.8591 -17.5950 -17.5950 -7.6746 -7.6746 -7.4055 -7.4055 -7.3124 -7.3124 -3.1578 -3.1578 -3.1458 -3.1458 -1.7935 -1.7935 0.2764 0.2764 0.2794 0.2794 0.4522 0.4522 0.4883 0.4883 0.5375 0.5375 1.1106 1.1106 1.1505 1.1505 1.5113 1.5113 1.5475 1.5475 10.6418 10.6418 10.7746 10.7746 11.5832 11.5832 12.9822 12.9822 k = 0.0000 0.0111 0.2891 ( 3170 PWs) bands (ev): -24.1232 -24.1232 -20.2563 -20.2563 -18.9682 -18.9682 -17.8591 -17.8591 -17.5950 -17.5950 -7.6747 -7.6747 -7.4057 -7.4057 -7.3126 -7.3126 -3.1577 -3.1577 -3.1457 -3.1457 -1.7931 -1.7931 0.2738 0.2738 0.2784 0.2784 0.4524 0.4524 0.4886 0.4886 0.5361 0.5361 1.1117 1.1117 1.1516 1.1516 1.5111 1.5111 1.5473 1.5473 10.6436 10.6436 10.7762 10.7762 11.5849 11.5849 12.9823 12.9823 k = 0.0000 0.0222 0.2891 ( 3174 PWs) bands (ev): -24.1230 -24.1230 -20.2550 -20.2550 -18.9691 -18.9691 -17.8591 -17.8591 -17.5952 -17.5952 -7.6749 -7.6749 -7.4061 -7.4061 -7.3131 -7.3131 -3.1574 -3.1574 -3.1452 -3.1452 -1.7918 -1.7918 0.2672 0.2672 0.2747 0.2747 0.4529 0.4529 0.4894 0.4894 0.5321 0.5321 1.1145 1.1145 1.1552 1.1552 1.5106 1.5106 1.5467 1.5467 10.6492 10.6492 10.7812 10.7812 11.5899 11.5899 12.9829 12.9829 k = 0.0000 0.0333 0.2891 ( 3166 PWs) bands (ev): -24.1227 -24.1227 -20.2528 -20.2528 -18.9707 -18.9707 -17.8592 -17.8592 -17.5954 -17.5954 -7.6753 -7.6753 -7.4068 -7.4068 -7.3141 -7.3141 -3.1573 -3.1573 -3.1441 -3.1441 -1.7897 -1.7897 0.2574 0.2574 0.2675 0.2675 0.4525 0.4525 0.4914 0.4914 0.5262 0.5262 1.1178 1.1178 1.1623 1.1623 1.5096 1.5096 1.5459 1.5459 10.6584 10.6584 10.7895 10.7895 11.5982 11.5982 12.9839 12.9839 k = 0.0000 0.0444 0.2891 ( 3162 PWs) bands (ev): -24.1222 -24.1222 -20.2498 -20.2498 -18.9728 -18.9728 -17.8592 -17.8592 -17.5957 -17.5957 -7.6759 -7.6759 -7.4079 -7.4079 -7.3153 -7.3153 -3.1575 -3.1575 -3.1421 -3.1421 -1.7867 -1.7867 0.2448 0.2448 0.2567 0.2567 0.4504 0.4504 0.4944 0.4944 0.5199 0.5199 1.1202 1.1202 1.1734 1.1734 1.5081 1.5081 1.5450 1.5450 10.6713 10.6713 10.8010 10.8010 11.6097 11.6097 12.9854 12.9854 k = 0.0000 0.0556 0.2891 ( 3158 PWs) bands (ev): -24.1217 -24.1217 -20.2460 -20.2460 -18.9756 -18.9756 -17.8593 -17.8593 -17.5961 -17.5961 -7.6766 -7.6766 -7.4093 -7.4093 -7.3168 -7.3168 -3.1583 -3.1583 -3.1390 -3.1390 -1.7829 -1.7829 0.2294 0.2294 0.2423 0.2423 0.4461 0.4461 0.4966 0.4966 0.5160 0.5160 1.1216 1.1216 1.1883 1.1883 1.5059 1.5059 1.5439 1.5439 10.6877 10.6877 10.8157 10.8157 11.6246 11.6246 12.9873 12.9873 k = 0.0000 0.0667 0.2891 ( 3162 PWs) bands (ev): -24.1210 -24.1210 -20.2413 -20.2413 -18.9790 -18.9790 -17.8594 -17.8594 -17.5965 -17.5965 -7.6775 -7.6775 -7.4112 -7.4112 -7.3185 -7.3185 -3.1597 -3.1597 -3.1349 -3.1349 -1.7783 -1.7783 0.2112 0.2112 0.2247 0.2247 0.4398 0.4398 0.4944 0.4944 0.5185 0.5185 1.1219 1.1219 1.2061 1.2061 1.5030 1.5030 1.5430 1.5430 10.7076 10.7076 10.8336 10.8336 11.6426 11.6426 12.9897 12.9897 k = 0.0000 0.0778 0.2891 ( 3162 PWs) bands (ev): -24.1202 -24.1202 -20.2358 -20.2358 -18.9830 -18.9830 -17.8595 -17.8595 -17.5971 -17.5971 -7.6786 -7.6786 -7.4135 -7.4135 -7.3203 -7.3203 -3.1616 -3.1616 -3.1298 -3.1298 -1.7728 -1.7728 0.1895 0.1895 0.2050 0.2050 0.4316 0.4316 0.4895 0.4895 0.5257 0.5257 1.1214 1.1214 1.2259 1.2259 1.4993 1.4993 1.5422 1.5422 10.7309 10.7309 10.8545 10.8545 11.6639 11.6639 12.9926 12.9926 k = 0.0000 0.0889 0.2891 ( 3158 PWs) bands (ev): -24.1192 -24.1192 -20.2295 -20.2295 -18.9876 -18.9876 -17.8597 -17.8597 -17.5977 -17.5977 -7.6798 -7.6798 -7.4163 -7.4163 -7.3222 -7.3222 -3.1639 -3.1639 -3.1237 -3.1237 -1.7666 -1.7666 0.1636 0.1636 0.1843 0.1843 0.4216 0.4216 0.4849 0.4849 0.5348 0.5348 1.1204 1.1204 1.2471 1.2471 1.4946 1.4946 1.5418 1.5418 10.7575 10.7575 10.8784 10.8784 11.6883 11.6883 12.9963 12.9963 k = 0.0000 0.1000 0.2891 ( 3158 PWs) bands (ev): -24.1182 -24.1182 -20.2223 -20.2223 -18.9929 -18.9929 -17.8598 -17.8598 -17.5984 -17.5984 -7.6813 -7.6813 -7.4196 -7.4196 -7.3239 -7.3239 -3.1666 -3.1666 -3.1168 -3.1168 -1.7596 -1.7596 0.1338 0.1338 0.1631 0.1631 0.4101 0.4101 0.4814 0.4814 0.5449 0.5449 1.1190 1.1190 1.2691 1.2691 1.4891 1.4891 1.5416 1.5416 10.7873 10.7873 10.9051 10.9051 11.7158 11.7158 13.0006 13.0006 k = 0.0000 0.1111 0.2891 ( 3156 PWs) bands (ev): -24.1171 -24.1171 -20.2144 -20.2144 -18.9987 -18.9987 -17.8599 -17.8599 -17.5991 -17.5991 -7.6829 -7.6829 -7.4235 -7.4235 -7.3256 -7.3256 -3.1695 -3.1695 -3.1091 -3.1091 -1.7518 -1.7518 0.1006 0.1006 0.1411 0.1411 0.3970 0.3970 0.4792 0.4792 0.5553 0.5553 1.1172 1.1172 1.2914 1.2914 1.4826 1.4826 1.5418 1.5418 10.8200 10.8200 10.9345 10.9345 11.7464 11.7464 13.0057 13.0057 k = 0.0000 0.1222 0.2891 ( 3152 PWs) bands (ev): -24.1158 -24.1158 -20.2056 -20.2056 -19.0052 -19.0052 -17.8601 -17.8601 -17.5999 -17.5999 -7.6848 -7.6848 -7.4280 -7.4280 -7.3270 -7.3270 -3.1728 -3.1728 -3.1006 -3.1006 -1.7434 -1.7434 0.0648 0.0648 0.1185 0.1185 0.3825 0.3825 0.4782 0.4782 0.5661 0.5661 1.1152 1.1152 1.3136 1.3136 1.4754 1.4754 1.5422 1.5422 10.8556 10.8556 10.9666 10.9666 11.7799 11.7799 13.0117 13.0117 k = 0.0000 0.1333 0.2891 ( 3152 PWs) bands (ev): -24.1145 -24.1145 -20.1961 -20.1961 -19.0123 -19.0123 -17.8603 -17.8603 -17.6008 -17.6008 -7.6869 -7.6869 -7.4331 -7.4331 -7.3282 -7.3282 -3.1763 -3.1763 -3.0914 -3.0914 -1.7341 -1.7341 0.0270 0.0270 0.0952 0.0952 0.3667 0.3667 0.4784 0.4784 0.5769 0.5769 1.1129 1.1129 1.3354 1.3354 1.4675 1.4675 1.5429 1.5429 10.8938 10.8938 11.0011 11.0011 11.8162 11.8162 13.0187 13.0187 k = 0.0000 0.1444 0.2891 ( 3154 PWs) bands (ev): -24.1131 -24.1131 -20.1858 -20.1858 -19.0200 -19.0200 -17.8605 -17.8605 -17.6017 -17.6017 -7.6892 -7.6892 -7.4388 -7.4388 -7.3291 -7.3291 -3.1800 -3.1800 -3.0815 -3.0815 -1.7243 -1.7243 -0.0126 -0.0126 0.0713 0.0713 0.3497 0.3497 0.4796 0.4796 0.5879 0.5879 1.1104 1.1104 1.3566 1.3566 1.4589 1.4589 1.5438 1.5438 10.9345 10.9345 11.0379 11.0379 11.8552 11.8552 13.0269 13.0269 k = 0.0000 0.1556 0.2891 ( 3154 PWs) bands (ev): -24.1116 -24.1116 -20.1748 -20.1748 -19.0283 -19.0283 -17.8607 -17.8607 -17.6027 -17.6027 -7.6918 -7.6918 -7.4449 -7.4449 -7.3297 -7.3297 -3.1839 -3.1839 -3.0709 -3.0709 -1.7137 -1.7137 -0.0533 -0.0533 0.0468 0.0468 0.3316 0.3316 0.4816 0.4816 0.5989 0.5989 1.1078 1.1078 1.3771 1.3771 1.4497 1.4497 1.5449 1.5449 10.9774 10.9774 11.0768 11.0768 11.8967 11.8967 13.0365 13.0365 k = 0.0000 0.1667 0.2891 ( 3162 PWs) bands (ev): -24.1100 -24.1100 -20.1630 -20.1630 -19.0372 -19.0372 -17.8610 -17.8610 -17.6037 -17.6037 -7.6947 -7.6947 -7.4515 -7.4515 -7.3300 -7.3300 -3.1880 -3.1880 -3.0596 -3.0596 -1.7025 -1.7025 -0.0950 -0.0950 0.0217 0.0217 0.3125 0.3125 0.4843 0.4843 0.6098 0.6098 1.1049 1.1049 1.3966 1.3966 1.4400 1.4400 1.5462 1.5462 11.0223 11.0223 11.1176 11.1176 11.9406 11.9406 13.0475 13.0475 k = 0.0000 0.1778 0.2891 ( 3158 PWs) bands (ev): -24.1084 -24.1084 -20.1505 -20.1505 -19.0468 -19.0468 -17.8612 -17.8612 -17.6048 -17.6048 -7.6978 -7.6978 -7.4584 -7.4584 -7.3300 -7.3300 -3.1921 -3.1921 -3.0478 -3.0478 -1.6907 -1.6907 -0.1374 -0.1374 -0.0037 -0.0037 0.2924 0.2924 0.4876 0.4876 0.6207 0.6207 1.1019 1.1019 1.4147 1.4147 1.4304 1.4304 1.5476 1.5476 11.0690 11.0690 11.1602 11.1602 11.9867 11.9867 13.0602 13.0602 k = 0.0000 0.1889 0.2891 ( 3162 PWs) bands (ev): -24.1067 -24.1067 -20.1373 -20.1373 -19.0569 -19.0569 -17.8615 -17.8615 -17.6058 -17.6058 -7.7012 -7.7012 -7.4656 -7.4656 -7.3298 -7.3298 -3.1965 -3.1965 -3.0354 -3.0354 -1.6784 -1.6784 -0.1801 -0.1801 -0.0295 -0.0295 0.2715 0.2715 0.4915 0.4915 0.6316 0.6316 1.0988 1.0988 1.4179 1.4179 1.4342 1.4342 1.5491 1.5491 11.1172 11.1172 11.2042 11.2042 12.0346 12.0346 13.0749 13.0749 k = 0.0000 0.2000 0.2891 ( 3168 PWs) bands (ev): -24.1050 -24.1050 -20.1235 -20.1235 -19.0677 -19.0677 -17.8617 -17.8617 -17.6069 -17.6069 -7.7050 -7.7050 -7.4730 -7.4730 -7.3293 -7.3293 -3.2008 -3.2008 -3.0225 -3.0225 -1.6655 -1.6655 -0.2231 -0.2231 -0.0555 -0.0555 0.2499 0.2499 0.4958 0.4958 0.6424 0.6424 1.0956 1.0956 1.4075 1.4075 1.4500 1.4500 1.5507 1.5507 11.1667 11.1667 11.2496 11.2496 12.0840 12.0840 13.0918 13.0918 k = 0.0000 0.2111 0.2891 ( 3166 PWs) bands (ev): -24.1032 -24.1032 -20.1090 -20.1090 -19.0790 -19.0790 -17.8620 -17.8620 -17.6080 -17.6080 -7.7090 -7.7090 -7.4804 -7.4804 -7.3286 -7.3286 -3.2053 -3.2053 -3.0092 -3.0092 -1.6520 -1.6520 -0.2662 -0.2662 -0.0817 -0.0817 0.2276 0.2276 0.5005 0.5005 0.6531 0.6531 1.0923 1.0923 1.3963 1.3963 1.4652 1.4652 1.5524 1.5524 11.2171 11.2171 11.2960 11.2960 12.1346 12.1346 13.1112 13.1112 k = 0.0000 0.2222 0.2891 ( 3162 PWs) bands (ev): -24.1014 -24.1014 -20.0938 -20.0938 -19.0909 -19.0909 -17.8623 -17.8623 -17.6092 -17.6092 -7.7133 -7.7133 -7.4879 -7.4879 -7.3277 -7.3277 -3.2097 -3.2097 -2.9954 -2.9954 -1.6381 -1.6381 -0.3091 -0.3091 -0.1079 -0.1079 0.2047 0.2047 0.5056 0.5056 0.6638 0.6638 1.0890 1.0890 1.3848 1.3848 1.4793 1.4793 1.5542 1.5542 11.2683 11.2683 11.3431 11.3431 12.1860 12.1860 13.1333 13.1333 k = 0.0000 0.2333 0.2891 ( 3160 PWs) bands (ev): -24.0995 -24.0995 -20.0780 -20.0780 -19.1034 -19.1034 -17.8625 -17.8625 -17.6103 -17.6103 -7.7180 -7.7180 -7.4952 -7.4952 -7.3267 -7.3267 -3.2142 -3.2142 -2.9813 -2.9813 -1.6236 -1.6236 -0.3519 -0.3519 -0.1341 -0.1341 0.1814 0.1814 0.5109 0.5109 0.6743 0.6743 1.0856 1.0856 1.3731 1.3731 1.4922 1.4922 1.5561 1.5561 11.3200 11.3200 11.3908 11.3908 12.2378 12.2378 13.1586 13.1586 k = 0.0000 0.2444 0.2891 ( 3156 PWs) bands (ev): -24.0977 -24.0977 -20.0617 -20.0617 -19.1165 -19.1165 -17.8628 -17.8628 -17.6114 -17.6114 -7.7230 -7.7230 -7.5024 -7.5024 -7.3255 -7.3255 -3.2186 -3.2186 -2.9668 -2.9668 -1.6088 -1.6088 -0.3943 -0.3943 -0.1602 -0.1602 0.1578 0.1578 0.5165 0.5165 0.6847 0.6847 1.0821 1.0821 1.3613 1.3613 1.5040 1.5040 1.5580 1.5580 11.3718 11.3718 11.4387 11.4387 12.2894 12.2894 13.1873 13.1873 k = 0.0000 0.2556 0.2891 ( 3146 PWs) bands (ev): -24.0958 -24.0958 -20.0448 -20.0448 -19.1301 -19.1301 -17.8631 -17.8631 -17.6125 -17.6125 -7.7283 -7.7283 -7.5093 -7.5093 -7.3243 -7.3243 -3.2230 -3.2230 -2.9522 -2.9522 -1.5935 -1.5935 -0.4363 -0.4363 -0.1861 -0.1861 0.1339 0.1339 0.5222 0.5222 0.6950 0.6950 1.0786 1.0786 1.3494 1.3494 1.5146 1.5146 1.5599 1.5599 11.4234 11.4234 11.4866 11.4866 12.3404 12.3404 13.2197 13.2197 k = 0.0000 0.2667 0.2891 ( 3150 PWs) bands (ev): -24.0939 -24.0939 -20.0274 -20.0274 -19.1443 -19.1443 -17.8634 -17.8634 -17.6136 -17.6136 -7.7338 -7.7338 -7.5160 -7.5160 -7.3229 -7.3229 -3.2274 -3.2274 -2.9373 -2.9373 -1.5778 -1.5778 -0.4778 -0.4778 -0.2117 -0.2117 0.1098 0.1098 0.5281 0.5281 0.7052 0.7052 1.0752 1.0752 1.3374 1.3374 1.5241 1.5241 1.5618 1.5618 11.4746 11.4746 11.5341 11.5341 12.3904 12.3904 13.2560 13.2560 k = 0.0000 0.2778 0.2891 ( 3150 PWs) bands (ev): -24.0921 -24.0921 -20.0094 -20.0094 -19.1590 -19.1590 -17.8637 -17.8637 -17.6147 -17.6147 -7.7396 -7.7396 -7.5223 -7.5223 -7.3215 -7.3215 -3.2317 -3.2317 -2.9224 -2.9224 -1.5617 -1.5617 -0.5187 -0.5187 -0.2368 -0.2368 0.0858 0.0858 0.5341 0.5341 0.7152 0.7152 1.0717 1.0717 1.3254 1.3254 1.5324 1.5324 1.5637 1.5637 11.5252 11.5252 11.5810 11.5810 12.4388 12.4388 13.2964 13.2964 k = 0.0000 0.2889 0.2891 ( 3148 PWs) bands (ev): -24.0903 -24.0903 -19.9911 -19.9911 -19.1742 -19.1742 -17.8640 -17.8640 -17.6158 -17.6158 -7.7456 -7.7456 -7.5283 -7.5283 -7.3200 -7.3200 -3.2358 -3.2358 -2.9074 -2.9074 -1.5453 -1.5453 -0.5589 -0.5589 -0.2615 -0.2615 0.0618 0.0618 0.5402 0.5402 0.7250 0.7250 1.0683 1.0683 1.3134 1.3134 1.5398 1.5398 1.5657 1.5657 11.5747 11.5747 11.6270 11.6270 12.4855 12.4855 13.3409 13.3409 k = 0.0000 0.3000 0.2891 ( 3148 PWs) bands (ev): -24.0885 -24.0885 -19.9723 -19.9723 -19.1899 -19.1899 -17.8643 -17.8643 -17.6169 -17.6169 -7.7518 -7.7518 -7.5339 -7.5339 -7.3185 -7.3185 -3.2398 -3.2398 -2.8925 -2.8925 -1.5285 -1.5285 -0.5984 -0.5984 -0.2855 -0.2855 0.0380 0.0380 0.5463 0.5463 0.7347 0.7347 1.0649 1.0649 1.3015 1.3015 1.5461 1.5461 1.5676 1.5676 11.6230 11.6230 11.6716 11.6716 12.5301 12.5301 13.3894 13.3894 k = 0.0000 0.3111 0.2891 ( 3144 PWs) bands (ev): -24.0867 -24.0867 -19.9530 -19.9530 -19.2060 -19.2060 -17.8645 -17.8645 -17.6179 -17.6179 -7.7581 -7.7581 -7.5391 -7.5391 -7.3170 -7.3170 -3.2437 -3.2437 -2.8776 -2.8776 -1.5113 -1.5113 -0.6371 -0.6371 -0.3089 -0.3089 0.0146 0.0146 0.5524 0.5524 0.7442 0.7442 1.0617 1.0617 1.2898 1.2898 1.5515 1.5515 1.5695 1.5695 11.6697 11.6697 11.7147 11.7147 12.5724 12.5724 13.4415 13.4415 k = 0.0000 0.3222 0.2891 ( 3144 PWs) bands (ev): -24.0850 -24.0850 -19.9335 -19.9335 -19.2227 -19.2227 -17.8648 -17.8648 -17.6189 -17.6189 -7.7645 -7.7645 -7.5439 -7.5439 -7.3155 -7.3155 -3.2475 -3.2475 -2.8630 -2.8630 -1.4939 -1.4939 -0.6751 -0.6751 -0.3315 -0.3315 -0.0084 -0.0084 0.5584 0.5584 0.7535 0.7535 1.0585 1.0585 1.2783 1.2783 1.5560 1.5560 1.5714 1.5714 11.7146 11.7146 11.7560 11.7560 12.6126 12.6126 13.4968 13.4968 k = 0.0000 0.3333 0.2891 ( 3140 PWs) bands (ev): -24.0833 -24.0833 -19.9136 -19.9136 -19.2397 -19.2397 -17.8651 -17.8651 -17.6198 -17.6198 -7.7709 -7.7709 -7.5483 -7.5483 -7.3140 -7.3140 -3.2510 -3.2510 -2.8487 -2.8487 -1.4761 -1.4761 -0.7121 -0.7121 -0.3532 -0.3532 -0.0308 -0.0308 0.5644 0.5644 0.7625 0.7625 1.0554 1.0554 1.2670 1.2670 1.5598 1.5598 1.5732 1.5732 11.7575 11.7575 11.7951 11.7951 12.6505 12.6505 13.5548 13.5548 k = 0.0000 0.3444 0.2891 ( 3152 PWs) bands (ev): -24.0818 -24.0818 -19.8935 -19.8935 -19.2572 -19.2572 -17.8653 -17.8653 -17.6207 -17.6207 -7.7773 -7.7773 -7.5524 -7.5524 -7.3126 -7.3126 -3.2545 -3.2545 -2.8347 -2.8347 -1.4580 -1.4580 -0.7484 -0.7484 -0.3740 -0.3740 -0.0525 -0.0525 0.5702 0.5702 0.7713 0.7713 1.0524 1.0524 1.2560 1.2560 1.5629 1.5629 1.5748 1.5748 11.7981 11.7981 11.8319 11.8319 12.6863 12.6863 13.6146 13.6146 k = 0.0000 0.3556 0.2891 ( 3152 PWs) bands (ev): -24.0802 -24.0802 -19.8731 -19.8731 -19.2750 -19.2750 -17.8656 -17.8656 -17.6216 -17.6216 -7.7835 -7.7835 -7.5561 -7.5561 -7.3112 -7.3112 -3.2577 -3.2577 -2.8212 -2.8212 -1.4396 -1.4396 -0.7837 -0.7837 -0.3937 -0.3937 -0.0734 -0.0734 0.5758 0.5758 0.7798 0.7798 1.0496 1.0496 1.2453 1.2453 1.5653 1.5653 1.5764 1.5764 11.8362 11.8362 11.8662 11.8662 12.7201 12.7201 13.6756 13.6756 k = 0.0000 0.3667 0.2891 ( 3148 PWs) bands (ev): -24.0788 -24.0788 -19.8526 -19.8526 -19.2931 -19.2931 -17.8658 -17.8658 -17.6224 -17.6224 -7.7895 -7.7895 -7.5594 -7.5594 -7.3098 -7.3098 -3.2606 -3.2606 -2.8082 -2.8082 -1.4209 -1.4209 -0.8181 -0.8181 -0.4122 -0.4122 -0.0933 -0.0933 0.5812 0.5812 0.7880 0.7880 1.0469 1.0469 1.2350 1.2350 1.5673 1.5673 1.5779 1.5779 11.8718 11.8718 11.8978 11.8978 12.7520 12.7520 13.7367 13.7367 k = 0.0000 0.3778 0.2891 ( 3140 PWs) bands (ev): -24.0774 -24.0774 -19.8320 -19.8320 -19.3114 -19.3114 -17.8661 -17.8661 -17.6231 -17.6231 -7.7952 -7.7952 -7.5623 -7.5623 -7.3085 -7.3085 -3.2634 -3.2634 -2.7958 -2.7958 -1.4018 -1.4018 -0.8517 -0.8517 -0.4296 -0.4296 -0.1122 -0.1122 0.5864 0.5864 0.7958 0.7958 1.0444 1.0444 1.2252 1.2252 1.5687 1.5687 1.5792 1.5792 11.9046 11.9046 11.9265 11.9265 12.7820 12.7820 13.7814 13.7814 k = 0.0000 0.3889 0.2891 ( 3140 PWs) bands (ev): -24.0762 -24.0762 -19.8114 -19.8114 -19.3299 -19.3299 -17.8663 -17.8663 -17.6238 -17.6238 -7.8007 -7.8007 -7.5649 -7.5649 -7.3073 -7.3073 -3.2660 -3.2660 -2.7842 -2.7842 -1.3825 -1.3825 -0.8843 -0.8843 -0.4458 -0.4458 -0.1299 -0.1299 0.5913 0.5913 0.8032 0.8032 1.0421 1.0421 1.2158 1.2158 1.5698 1.5698 1.5804 1.5804 11.9346 11.9346 11.9524 11.9524 12.8101 12.8101 13.7795 13.7795 k = 0.0000 0.4000 0.2891 ( 3138 PWs) bands (ev): -24.0750 -24.0750 -19.7909 -19.7909 -19.3485 -19.3485 -17.8665 -17.8665 -17.6244 -17.6244 -7.8058 -7.8058 -7.5673 -7.5673 -7.3061 -7.3061 -3.2683 -3.2683 -2.7734 -2.7734 -1.3628 -1.3628 -0.9160 -0.9160 -0.4606 -0.4606 -0.1463 -0.1463 0.5959 0.5959 0.8101 0.8101 1.0400 1.0400 1.2071 1.2071 1.5705 1.5705 1.5815 1.5815 11.9617 11.9617 11.9754 11.9754 12.8362 12.8362 13.7793 13.7793 k = 0.0000 0.4111 0.2891 ( 3142 PWs) bands (ev): -24.0740 -24.0740 -19.7706 -19.7706 -19.3670 -19.3670 -17.8666 -17.8666 -17.6250 -17.6250 -7.8106 -7.8106 -7.5693 -7.5693 -7.3051 -7.3051 -3.2704 -3.2704 -2.7634 -2.7634 -1.3427 -1.3427 -0.9468 -0.9468 -0.4740 -0.4740 -0.1613 -0.1613 0.6001 0.6001 0.8166 0.8166 1.0380 1.0380 1.1990 1.1990 1.5710 1.5710 1.5825 1.5825 11.9858 11.9858 11.9956 11.9956 12.8604 12.8604 13.7811 13.7811 k = 0.0000 0.4222 0.2891 ( 3138 PWs) bands (ev): -24.0730 -24.0730 -19.7507 -19.7507 -19.3854 -19.3854 -17.8668 -17.8668 -17.6255 -17.6255 -7.8148 -7.8148 -7.5711 -7.5711 -7.3042 -7.3042 -3.2723 -3.2723 -2.7544 -2.7544 -1.3223 -1.3223 -0.9768 -0.9768 -0.4859 -0.4859 -0.1748 -0.1748 0.6039 0.6039 0.8225 0.8225 1.0363 1.0363 1.1916 1.1916 1.5712 1.5712 1.5835 1.5835 12.0070 12.0070 12.0131 12.0131 12.8823 12.8823 13.7845 13.7845 k = 0.0000 0.4333 0.2891 ( 3132 PWs) bands (ev): -24.0722 -24.0722 -19.7313 -19.7313 -19.4033 -19.4033 -17.8669 -17.8669 -17.6259 -17.6259 -7.8186 -7.8186 -7.5726 -7.5726 -7.3034 -7.3034 -3.2739 -3.2739 -2.7465 -2.7465 -1.3014 -1.3014 -1.0058 -1.0058 -0.4964 -0.4964 -0.1867 -0.1867 0.6072 0.6072 0.8278 0.8278 1.0348 1.0348 1.1849 1.1849 1.5712 1.5712 1.5843 1.5843 12.0252 12.0252 12.0279 12.0279 12.9019 12.9019 13.7890 13.7890 k = 0.0000 0.4444 0.2891 ( 3136 PWs) bands (ev): -24.0715 -24.0715 -19.7129 -19.7129 -19.4205 -19.4205 -17.8670 -17.8670 -17.6263 -17.6263 -7.8219 -7.8219 -7.5738 -7.5738 -7.3027 -7.3027 -3.2753 -3.2753 -2.7396 -2.7396 -1.2802 -1.2802 -1.0340 -1.0340 -0.5054 -0.5054 -0.1970 -0.1970 0.6101 0.6101 0.8324 0.8324 1.0335 1.0335 1.1791 1.1791 1.5711 1.5711 1.5850 1.5850 12.0394 12.0394 12.0413 12.0413 12.9189 12.9189 13.7939 13.7939 k = 0.0000 0.4556 0.2891 ( 3136 PWs) bands (ev): -24.0709 -24.0709 -19.6959 -19.6959 -19.4366 -19.4366 -17.8672 -17.8672 -17.6266 -17.6266 -7.8246 -7.8246 -7.5748 -7.5748 -7.3021 -7.3021 -3.2764 -3.2764 -2.7339 -2.7339 -1.2586 -1.2586 -1.0613 -1.0613 -0.5127 -0.5127 -0.2055 -0.2055 0.6125 0.6125 0.8363 0.8363 1.0325 1.0325 1.1743 1.1743 1.5710 1.5710 1.5855 1.5855 12.0495 12.0495 12.0535 12.0535 12.9332 12.9332 13.7988 13.7988 k = 0.0000 0.4667 0.2891 ( 3132 PWs) bands (ev): -24.0705 -24.0705 -19.6809 -19.6809 -19.4508 -19.4508 -17.8672 -17.8672 -17.6269 -17.6269 -7.8267 -7.8267 -7.5756 -7.5756 -7.3016 -7.3016 -3.2773 -3.2773 -2.7294 -2.7294 -1.2366 -1.2366 -1.0877 -1.0877 -0.5184 -0.5184 -0.2121 -0.2121 0.6144 0.6144 0.8394 0.8394 1.0317 1.0317 1.1705 1.1705 1.5709 1.5709 1.5860 1.5860 12.0570 12.0570 12.0631 12.0631 12.9445 12.9445 13.8031 13.8031 k = 0.0000 0.4778 0.2891 ( 3132 PWs) bands (ev): -24.0701 -24.0701 -19.6689 -19.6689 -19.4623 -19.4623 -17.8673 -17.8673 -17.6270 -17.6270 -7.8282 -7.8282 -7.5761 -7.5761 -7.3013 -7.3013 -3.2780 -3.2780 -2.7262 -2.7262 -1.2145 -1.2145 -1.1131 -1.1131 -0.5226 -0.5226 -0.2169 -0.2169 0.6158 0.6158 0.8417 0.8417 1.0311 1.0311 1.1677 1.1677 1.5707 1.5707 1.5863 1.5863 12.0623 12.0623 12.0700 12.0700 12.9528 12.9528 13.8066 13.8066 k = 0.0000 0.4889 0.2891 ( 3132 PWs) bands (ev): -24.0699 -24.0699 -19.6610 -19.6610 -19.4699 -19.4699 -17.8673 -17.8673 -17.6271 -17.6271 -7.8291 -7.8291 -7.5765 -7.5765 -7.3011 -7.3011 -3.2784 -3.2784 -2.7243 -2.7243 -1.1929 -1.1929 -1.1366 -1.1366 -0.5251 -0.5251 -0.2198 -0.2198 0.6166 0.6166 0.8430 0.8430 1.0307 1.0307 1.1660 1.1660 1.5706 1.5706 1.5865 1.5865 12.0654 12.0654 12.0741 12.0741 12.9577 12.9577 13.8088 13.8088 k = 0.0000 0.5000 0.2891 ( 3124 PWs) bands (ev): -24.0699 -24.0699 -19.6582 -19.6582 -19.4726 -19.4726 -17.8673 -17.8673 -17.6272 -17.6272 -7.8294 -7.8294 -7.5766 -7.5766 -7.3010 -7.3010 -3.2785 -3.2785 -2.7236 -2.7236 -1.1792 -1.1792 -1.1509 -1.1509 -0.5259 -0.5259 -0.2208 -0.2208 0.6169 0.6169 0.8435 0.8435 1.0306 1.0306 1.1654 1.1654 1.5706 1.5706 1.5866 1.5866 12.0664 12.0664 12.0755 12.0755 12.9594 12.9594 13.8096 13.8096 k = 0.0000 0.5000 0.2891 ( 3124 PWs) bands (ev): -24.0699 -24.0699 -19.6582 -19.6582 -19.4726 -19.4726 -17.8673 -17.8673 -17.6272 -17.6272 -7.8294 -7.8294 -7.5766 -7.5766 -7.3010 -7.3010 -3.2785 -3.2785 -2.7236 -2.7236 -1.1792 -1.1792 -1.1509 -1.1509 -0.5259 -0.5259 -0.2208 -0.2208 0.6169 0.6169 0.8435 0.8435 1.0306 1.0306 1.1654 1.1654 1.5706 1.5706 1.5866 1.5866 12.0664 12.0664 12.0755 12.0755 12.9594 12.9594 13.8096 13.8096 k = 0.0111 0.5000 0.2891 ( 3128 PWs) bands (ev): -24.0698 -24.0698 -19.6579 -19.6579 -19.4726 -19.4726 -17.8673 -17.8673 -17.6273 -17.6273 -7.8295 -7.8295 -7.5765 -7.5765 -7.3016 -7.3016 -3.2857 -3.2857 -2.7164 -2.7164 -1.1789 -1.1789 -1.1510 -1.1510 -0.5358 -0.5358 -0.2109 -0.2109 0.6141 0.6141 0.8437 0.8437 1.0331 1.0331 1.1653 1.1653 1.5709 1.5709 1.5858 1.5858 12.0680 12.0680 12.0783 12.0783 12.9590 12.9590 13.8099 13.8099 k = 0.0222 0.5000 0.2891 ( 3128 PWs) bands (ev): -24.0697 -24.0697 -19.6572 -19.6572 -19.4724 -19.4724 -17.8671 -17.8671 -17.6276 -17.6276 -7.8296 -7.8296 -7.5764 -7.5764 -7.3033 -7.3033 -3.3063 -3.3063 -2.6958 -2.6958 -1.1781 -1.1781 -1.1511 -1.1511 -0.5626 -0.5626 -0.1845 -0.1845 0.6058 0.6058 0.8442 0.8442 1.0405 1.0405 1.1650 1.1650 1.5716 1.5716 1.5834 1.5834 12.0729 12.0729 12.0865 12.0865 12.9577 12.9577 13.8109 13.8109 k = 0.0333 0.5000 0.2891 ( 3128 PWs) bands (ev): -24.0694 -24.0694 -19.6560 -19.6560 -19.4723 -19.4723 -17.8668 -17.8668 -17.6282 -17.6282 -7.8299 -7.8299 -7.5762 -7.5762 -7.3060 -7.3060 -3.3377 -3.3377 -2.6644 -2.6644 -1.1768 -1.1768 -1.1514 -1.1514 -0.6002 -0.6002 -0.1474 -0.1474 0.5927 0.5927 0.8451 0.8451 1.0522 1.0522 1.1645 1.1645 1.5727 1.5727 1.5795 1.5795 12.0810 12.0810 12.1002 12.1002 12.9557 12.9557 13.8125 13.8125 k = 0.0444 0.5000 0.2891 ( 3128 PWs) bands (ev): -24.0691 -24.0691 -19.6543 -19.6543 -19.4720 -19.4720 -17.8664 -17.8664 -17.6290 -17.6290 -7.8302 -7.8302 -7.5759 -7.5759 -7.3099 -7.3099 -3.3772 -3.3772 -2.6250 -2.6250 -1.1750 -1.1750 -1.1517 -1.1517 -0.6441 -0.6441 -0.1042 -0.1042 0.5755 0.5755 0.8463 0.8463 1.0675 1.0675 1.1638 1.1638 1.5736 1.5736 1.5748 1.5748 12.0923 12.0923 12.1194 12.1194 12.9528 12.9528 13.8148 13.8148 k = 0.0556 0.5000 0.2891 ( 3128 PWs) bands (ev): -24.0686 -24.0686 -19.6521 -19.6521 -19.4716 -19.4716 -17.8658 -17.8658 -17.6301 -17.6301 -7.8307 -7.8307 -7.5755 -7.5755 -7.3148 -7.3148 -3.4222 -3.4222 -2.5800 -2.5800 -1.1726 -1.1726 -1.1521 -1.1521 -0.6915 -0.6915 -0.0577 -0.0577 0.5548 0.5548 0.8478 0.8478 1.0857 1.0857 1.1630 1.1630 1.5669 1.5669 1.5766 1.5766 12.1067 12.1067 12.1439 12.1439 12.9491 12.9491 13.8175 13.8175 k = 0.0667 0.5000 0.2891 ( 3136 PWs) bands (ev): -24.0681 -24.0681 -19.6495 -19.6495 -19.4712 -19.4712 -17.8652 -17.8652 -17.6314 -17.6314 -7.8312 -7.8312 -7.5750 -7.5750 -7.3207 -7.3207 -3.4711 -3.4711 -2.5312 -2.5312 -1.1698 -1.1698 -1.1526 -1.1526 -0.7410 -0.7410 -0.0094 -0.0094 0.5314 0.5314 0.8496 0.8496 1.1061 1.1061 1.1619 1.1619 1.5585 1.5585 1.5791 1.5791 12.1242 12.1242 12.1739 12.1739 12.9446 12.9446 13.8206 13.8206 k = 0.0778 0.5000 0.2891 ( 3128 PWs) bands (ev): -24.0675 -24.0675 -19.6463 -19.6463 -19.4707 -19.4707 -17.8645 -17.8645 -17.6329 -17.6329 -7.8318 -7.8318 -7.5745 -7.5745 -7.3276 -7.3276 -3.5226 -3.5226 -2.4798 -2.4798 -1.1665 -1.1665 -1.1531 -1.1531 -0.7915 -0.7915 0.0398 0.0398 0.5059 0.5059 0.8516 0.8516 1.1281 1.1281 1.1608 1.1608 1.5486 1.5486 1.5821 1.5821 12.1447 12.1447 12.2092 12.2092 12.9395 12.9395 13.8240 13.8240 k = 0.0889 0.5000 0.2891 ( 3124 PWs) bands (ev): -24.0668 -24.0668 -19.6428 -19.6428 -19.4701 -19.4701 -17.8636 -17.8636 -17.6346 -17.6346 -7.8326 -7.8326 -7.5739 -7.5739 -7.3354 -7.3354 -3.5757 -3.5757 -2.4268 -2.4268 -1.1628 -1.1628 -1.1536 -1.1536 -0.8426 -0.8426 0.0893 0.0893 0.4787 0.4787 0.8539 0.8539 1.1512 1.1512 1.1596 1.1596 1.5374 1.5374 1.5855 1.5855 12.1682 12.1682 12.2497 12.2497 12.9337 12.9337 13.8276 13.8276 k = 0.1000 0.5000 0.2891 ( 3132 PWs) bands (ev): -24.0660 -24.0660 -19.6388 -19.6388 -19.4695 -19.4695 -17.8627 -17.8627 -17.6365 -17.6365 -7.8335 -7.8335 -7.5733 -7.5733 -7.3440 -7.3440 -3.6298 -3.6298 -2.3728 -2.3728 -1.1588 -1.1588 -1.1539 -1.1539 -0.8939 -0.8939 0.1387 0.1387 0.4501 0.4501 0.8564 0.8564 1.1579 1.1579 1.1756 1.1756 1.5248 1.5248 1.5893 1.5893 12.1944 12.1944 12.2954 12.2954 12.9272 12.9272 13.8310 13.8310 k = 0.1111 0.5000 0.2891 ( 3128 PWs) bands (ev): -24.0651 -24.0651 -19.6344 -19.6344 -19.4688 -19.4688 -17.8616 -17.8616 -17.6387 -17.6387 -7.8345 -7.8345 -7.5726 -7.5726 -7.3534 -7.3534 -3.6845 -3.6845 -2.3182 -2.3182 -1.1557 -1.1557 -1.1530 -1.1530 -0.9451 -0.9451 0.1877 0.1877 0.4204 0.4204 0.8592 0.8592 1.1565 1.1565 1.2002 1.2002 1.5109 1.5109 1.5934 1.5934 12.2234 12.2234 12.3460 12.3460 12.9204 12.9204 13.8342 13.8342 k = 0.1222 0.5000 0.2891 ( 3120 PWs) bands (ev): -24.0641 -24.0641 -19.6296 -19.6296 -19.4680 -19.4680 -17.8605 -17.8605 -17.6410 -17.6410 -7.8356 -7.8356 -7.5720 -7.5720 -7.3636 -7.3636 -3.7394 -3.7394 -2.2633 -2.2633 -1.1554 -1.1554 -1.1488 -1.1488 -0.9959 -0.9959 0.2361 0.2361 0.3900 0.3900 0.8622 0.8622 1.1551 1.1551 1.2252 1.2252 1.4959 1.4959 1.5979 1.5979 12.2549 12.2549 12.4014 12.4014 12.9132 12.9132 13.8370 13.8370 k = 0.1333 0.5000 0.2891 ( 3116 PWs) bands (ev): -24.0631 -24.0631 -19.6244 -19.6244 -19.4672 -19.4672 -17.8592 -17.8592 -17.6435 -17.6435 -7.8368 -7.8368 -7.5714 -7.5714 -7.3743 -7.3743 -3.7942 -3.7942 -2.2086 -2.2086 -1.1556 -1.1556 -1.1439 -1.1439 -1.0460 -1.0460 0.2832 0.2832 0.3592 0.3592 0.8654 0.8654 1.1537 1.1537 1.2504 1.2504 1.4798 1.4798 1.6028 1.6028 12.2889 12.2889 12.4613 12.4613 12.9061 12.9061 13.8389 13.8389 k = 0.1444 0.5000 0.2891 ( 3128 PWs) bands (ev): -24.0620 -24.0620 -19.6189 -19.6189 -19.4664 -19.4664 -17.8579 -17.8579 -17.6462 -17.6462 -7.8382 -7.8382 -7.5709 -7.5709 -7.3855 -7.3855 -3.8487 -3.8487 -2.1541 -2.1541 -1.1560 -1.1560 -1.1393 -1.1393 -1.0945 -1.0945 0.3186 0.3186 0.3387 0.3387 0.8688 0.8688 1.1524 1.1524 1.2755 1.2755 1.4627 1.4627 1.6079 1.6079 12.3252 12.3252 12.5250 12.5250 12.8995 12.8995 13.8398 13.8398 k = 0.1556 0.5000 0.2891 ( 3144 PWs) bands (ev): -24.0608 -24.0608 -19.6131 -19.6131 -19.4654 -19.4654 -17.8566 -17.8566 -17.6492 -17.6492 -7.8397 -7.8397 -7.5705 -7.5705 -7.3971 -7.3971 -3.9027 -3.9027 -2.1001 -2.1001 -1.1601 -1.1601 -1.1464 -1.1464 -1.1266 -1.1266 0.2925 0.2925 0.3782 0.3782 0.8724 0.8724 1.1512 1.1512 1.3006 1.3006 1.4446 1.4446 1.6133 1.6133 12.3637 12.3637 12.5913 12.5913 12.8947 12.8947 13.8298 13.8298 k = 0.1667 0.5000 0.2891 ( 3144 PWs) bands (ev): -24.0596 -24.0596 -19.6069 -19.6069 -19.4645 -19.4645 -17.8551 -17.8551 -17.6522 -17.6522 -7.8413 -7.8413 -7.5703 -7.5703 -7.4090 -7.4090 -3.9561 -3.9561 -2.0467 -2.0467 -1.1980 -1.1980 -1.1531 -1.1531 -1.1239 -1.1239 0.2602 0.2602 0.4223 0.4223 0.8762 0.8762 1.1503 1.1503 1.3255 1.3255 1.4257 1.4257 1.6189 1.6189 12.4042 12.4042 12.6576 12.6576 12.8943 12.8943 13.7923 13.7923 k = 0.1778 0.5000 0.2891 ( 3132 PWs) bands (ev): -24.0583 -24.0583 -19.6005 -19.6005 -19.4635 -19.4635 -17.8536 -17.8536 -17.6554 -17.6554 -7.8431 -7.8431 -7.5703 -7.5703 -7.4209 -7.4209 -4.0087 -4.0087 -1.9941 -1.9941 -1.2446 -1.2446 -1.1529 -1.1529 -1.1180 -1.1180 0.2273 0.2273 0.4653 0.4653 0.8802 0.8802 1.1496 1.1496 1.3500 1.3500 1.4062 1.4062 1.6248 1.6248 12.4465 12.4465 12.7173 12.7173 12.9049 12.9049 13.7537 13.7537 k = 0.1889 0.5000 0.2891 ( 3116 PWs) bands (ev): -24.0570 -24.0570 -19.5937 -19.5937 -19.4624 -19.4624 -17.8520 -17.8520 -17.6588 -17.6588 -7.8450 -7.8450 -7.5706 -7.5706 -7.4327 -7.4327 -4.0604 -4.0604 -1.9423 -1.9423 -1.2910 -1.2910 -1.1520 -1.1520 -1.1116 -1.1116 0.1941 0.1941 0.5069 0.5069 0.8843 0.8843 1.1493 1.1493 1.3737 1.3737 1.3865 1.3865 1.6308 1.6308 12.4905 12.4905 12.7579 12.7579 12.9387 12.9387 13.7148 13.7148 k = 0.2000 0.5000 0.2891 ( 3116 PWs) bands (ev): -24.0557 -24.0557 -19.5868 -19.5868 -19.4613 -19.4613 -17.8504 -17.8504 -17.6623 -17.6623 -7.8471 -7.8471 -7.5715 -7.5715 -7.4443 -7.4443 -4.1111 -4.1111 -1.8915 -1.8915 -1.3365 -1.3365 -1.1506 -1.1506 -1.1049 -1.1049 0.1606 0.1606 0.5468 0.5468 0.8885 0.8885 1.1496 1.1496 1.3647 1.3647 1.3985 1.3985 1.6370 1.6370 12.5359 12.5359 12.7740 12.7740 13.0012 13.0012 13.6759 13.6759 k = 0.2111 0.5000 0.2891 ( 3112 PWs) bands (ev): -24.0543 -24.0543 -19.5797 -19.5797 -19.4602 -19.4602 -17.8487 -17.8487 -17.6659 -17.6659 -7.8493 -7.8493 -7.5731 -7.5731 -7.4553 -7.4553 -4.1607 -4.1607 -1.8417 -1.8417 -1.3811 -1.3811 -1.1488 -1.1488 -1.0980 -1.0980 0.1271 0.1271 0.5850 0.5850 0.8927 0.8927 1.1504 1.1504 1.3437 1.3437 1.4218 1.4218 1.6433 1.6433 12.5826 12.5826 12.7747 12.7747 13.0833 13.0833 13.6370 13.6370 k = 0.2222 0.5000 0.2891 ( 3120 PWs) bands (ev): -24.0529 -24.0529 -19.5724 -19.5724 -19.4591 -19.4591 -17.8471 -17.8471 -17.6696 -17.6696 -7.8517 -7.8517 -7.5754 -7.5754 -7.4655 -7.4655 -4.2091 -4.2091 -1.7932 -1.7932 -1.4245 -1.4245 -1.1465 -1.1465 -1.0911 -1.0911 0.0934 0.0934 0.6211 0.6211 0.8971 0.8971 1.1519 1.1519 1.3222 1.3222 1.4446 1.4446 1.6497 1.6497 12.6303 12.6303 12.7684 12.7684 13.1764 13.1764 13.5984 13.5984 k = 0.2333 0.5000 0.2891 ( 3124 PWs) bands (ev): -24.0514 -24.0514 -19.5650 -19.5650 -19.4580 -19.4580 -17.8454 -17.8454 -17.6734 -17.6734 -7.8543 -7.8543 -7.5789 -7.5789 -7.4747 -7.4747 -4.2563 -4.2563 -1.7459 -1.7459 -1.4666 -1.4666 -1.1437 -1.1437 -1.0841 -1.0841 0.0598 0.0598 0.6551 0.6551 0.9014 0.9014 1.1543 1.1543 1.3005 1.3005 1.4668 1.4668 1.6562 1.6562 12.6789 12.6789 12.7587 12.7587 13.2770 13.2770 13.5601 13.5601 k = 0.2444 0.5000 0.2891 ( 3128 PWs) bands (ev): -24.0500 -24.0500 -19.5574 -19.5574 -19.4569 -19.4569 -17.8436 -17.8436 -17.6773 -17.6773 -7.8570 -7.8570 -7.5835 -7.5835 -7.4825 -7.4825 -4.3021 -4.3021 -1.7001 -1.7001 -1.5072 -1.5072 -1.1404 -1.1404 -1.0770 -1.0770 0.0262 0.0262 0.6868 0.6868 0.9057 0.9057 1.1577 1.1577 1.2788 1.2788 1.4885 1.4885 1.6627 1.6627 12.7281 12.7281 12.7473 12.7473 13.3833 13.3833 13.5224 13.5224 k = 0.2556 0.5000 0.2891 ( 3124 PWs) bands (ev): -24.0486 -24.0486 -19.5498 -19.5498 -19.4557 -19.4557 -17.8419 -17.8419 -17.6812 -17.6812 -7.8599 -7.8599 -7.5893 -7.5893 -7.4889 -7.4889 -4.3464 -4.3464 -1.6564 -1.6564 -1.5458 -1.5458 -1.1365 -1.1365 -1.0700 -1.0700 -0.0072 -0.0072 0.7159 0.7159 0.9099 0.9099 1.1621 1.1621 1.2572 1.2572 1.5095 1.5095 1.6692 1.6692 12.7346 12.7346 12.7778 12.7778 13.4845 13.4845 13.4954 13.4954 k = 0.2667 0.5000 0.2891 ( 3124 PWs) bands (ev): -24.0471 -24.0471 -19.5422 -19.5422 -19.4546 -19.4546 -17.8402 -17.8402 -17.6851 -17.6851 -7.8630 -7.8630 -7.5964 -7.5964 -7.4938 -7.4938 -4.3893 -4.3893 -1.6193 -1.6193 -1.5779 -1.5779 -1.1321 -1.1321 -1.0630 -1.0630 -0.0405 -0.0405 0.7425 0.7425 0.9141 0.9141 1.1677 1.1677 1.2358 1.2358 1.5298 1.5298 1.6756 1.6756 12.7214 12.7214 12.8276 12.8276 13.4487 13.4487 13.6104 13.6104 k = 0.2778 0.5000 0.2891 ( 3120 PWs) bands (ev): -24.0457 -24.0457 -19.5346 -19.5346 -19.4535 -19.4535 -17.8385 -17.8385 -17.6891 -17.6891 -7.8663 -7.8663 -7.6044 -7.6044 -7.4974 -7.4974 -4.4306 -4.4306 -1.6287 -1.6287 -1.5634 -1.5634 -1.1271 -1.1271 -1.0561 -1.0561 -0.0736 -0.0736 0.7663 0.7663 0.9180 0.9180 1.1741 1.1741 1.2152 1.2152 1.5493 1.5493 1.6820 1.6820 12.7079 12.7079 12.8774 12.8774 13.4132 13.4132 13.7297 13.7297 k = 0.2889 0.5000 0.2891 ( 3116 PWs) bands (ev): -24.0443 -24.0443 -19.5271 -19.5271 -19.4523 -19.4523 -17.8368 -17.8368 -17.6931 -17.6931 -7.8697 -7.8697 -7.6132 -7.6132 -7.4998 -7.4998 -4.4703 -4.4703 -1.6615 -1.6615 -1.5256 -1.5256 -1.1215 -1.1215 -1.0493 -1.0493 -0.1063 -0.1063 0.7874 0.7874 0.9217 0.9217 1.1794 1.1794 1.1976 1.1976 1.5682 1.5682 1.6883 1.6883 12.6941 12.6941 12.9269 12.9269 13.3786 13.3786 13.7152 13.7152 k = 0.3000 0.5000 0.2891 ( 3116 PWs) bands (ev): -24.0429 -24.0429 -19.5196 -19.5196 -19.4512 -19.4512 -17.8351 -17.8351 -17.6970 -17.6970 -7.8733 -7.8733 -7.6225 -7.6225 -7.5014 -7.5014 -4.5082 -4.5082 -1.6947 -1.6947 -1.4876 -1.4876 -1.1153 -1.1153 -1.0427 -1.0427 -0.1388 -0.1388 0.8057 0.8057 0.9252 0.9252 1.1699 1.1699 1.1966 1.1966 1.5861 1.5861 1.6945 1.6945 12.6804 12.6804 12.9758 12.9758 13.3451 13.3451 13.6978 13.6978 k = 0.3111 0.5000 0.2891 ( 3120 PWs) bands (ev): -24.0415 -24.0415 -19.5123 -19.5123 -19.4502 -19.4502 -17.8335 -17.8335 -17.7009 -17.7009 -7.8770 -7.8770 -7.6319 -7.6319 -7.5022 -7.5022 -4.5445 -4.5445 -1.7267 -1.7267 -1.4508 -1.4508 -1.1084 -1.1084 -1.0362 -1.0362 -0.1708 -0.1708 0.8213 0.8213 0.9282 0.9282 1.1519 1.1519 1.2061 1.2061 1.6033 1.6033 1.7006 1.7006 12.6667 12.6667 13.0240 13.0240 13.3128 13.3128 13.6803 13.6803 k = 0.3222 0.5000 0.2891 ( 3120 PWs) bands (ev): -24.0402 -24.0402 -19.5051 -19.5051 -19.4491 -19.4491 -17.8319 -17.8319 -17.7047 -17.7047 -7.8809 -7.8809 -7.6413 -7.6413 -7.5025 -7.5025 -4.5790 -4.5790 -1.7572 -1.7572 -1.4155 -1.4155 -1.1011 -1.1011 -1.0300 -1.0300 -0.2023 -0.2023 0.8345 0.8345 0.9308 0.9308 1.1339 1.1339 1.2175 1.2175 1.6196 1.6196 1.7065 1.7065 12.6532 12.6532 13.0711 13.0711 13.2818 13.2818 13.6629 13.6629 k = 0.3333 0.5000 0.2891 ( 3124 PWs) bands (ev): -24.0389 -24.0389 -19.4981 -19.4981 -19.4481 -19.4481 -17.8304 -17.8304 -17.7085 -17.7085 -7.8849 -7.8849 -7.6505 -7.6505 -7.5024 -7.5024 -4.6116 -4.6116 -1.7862 -1.7862 -1.3820 -1.3820 -1.0931 -1.0931 -1.0240 -1.0240 -0.2332 -0.2332 0.8453 0.8453 0.9327 0.9327 1.1168 1.1168 1.2299 1.2299 1.6350 1.6350 1.7122 1.7122 12.6400 12.6400 13.1169 13.1169 13.2522 13.2522 13.6457 13.6457 k = 0.3444 0.5000 0.2891 ( 3124 PWs) bands (ev): -24.0377 -24.0377 -19.4914 -19.4914 -19.4471 -19.4471 -17.8290 -17.8290 -17.7121 -17.7121 -7.8889 -7.8889 -7.6593 -7.6593 -7.5020 -7.5020 -4.6423 -4.6423 -1.8135 -1.8135 -1.3503 -1.3503 -1.0847 -1.0847 -1.0182 -1.0182 -0.2634 -0.2634 0.8541 0.8541 0.9339 0.9339 1.1010 1.1010 1.2430 1.2430 1.6495 1.6495 1.7177 1.7177 12.6272 12.6272 13.1612 13.1612 13.2241 13.2241 13.6291 13.6291 k = 0.3556 0.5000 0.2891 ( 3136 PWs) bands (ev): -24.0365 -24.0365 -19.4849 -19.4849 -19.4462 -19.4462 -17.8276 -17.8276 -17.7156 -17.7156 -7.8930 -7.8930 -7.6678 -7.6678 -7.5015 -7.5015 -4.6712 -4.6712 -1.8391 -1.8391 -1.3205 -1.3205 -1.0757 -1.0757 -1.0127 -1.0127 -0.2929 -0.2929 0.8611 0.8611 0.9343 0.9343 1.0868 1.0868 1.2563 1.2563 1.6630 1.6630 1.7230 1.7230 12.6149 12.6149 13.1974 13.1974 13.2039 13.2039 13.6130 13.6130 k = 0.3667 0.5000 0.2891 ( 3132 PWs) bands (ev): -24.0354 -24.0354 -19.4787 -19.4787 -19.4453 -19.4453 -17.8262 -17.8262 -17.7189 -17.7189 -7.8971 -7.8971 -7.6756 -7.6756 -7.5008 -7.5008 -4.6980 -4.6980 -1.8629 -1.8629 -1.2925 -1.2925 -1.0663 -1.0663 -1.0075 -1.0075 -0.3214 -0.3214 0.8665 0.8665 0.9337 0.9337 1.0743 1.0743 1.2696 1.2696 1.6755 1.6755 1.7281 1.7281 12.6032 12.6032 13.1726 13.1726 13.2444 13.2444 13.5976 13.5976 k = 0.3778 0.5000 0.2891 ( 3132 PWs) bands (ev): -24.0344 -24.0344 -19.4729 -19.4729 -19.4445 -19.4445 -17.8250 -17.8250 -17.7221 -17.7221 -7.9011 -7.9011 -7.6829 -7.6829 -7.5000 -7.5000 -4.7228 -4.7228 -1.8850 -1.8850 -1.2666 -1.2666 -1.0566 -1.0566 -1.0027 -1.0027 -0.3490 -0.3490 0.8705 0.8705 0.9321 0.9321 1.0638 1.0638 1.2826 1.2826 1.6869 1.6869 1.7330 1.7330 12.5921 12.5921 13.1494 13.1494 13.2827 13.2827 13.5831 13.5831 k = 0.3889 0.5000 0.2891 ( 3132 PWs) bands (ev): -24.0334 -24.0334 -19.4675 -19.4675 -19.4437 -19.4437 -17.8238 -17.8238 -17.7251 -17.7251 -7.9050 -7.9050 -7.6895 -7.6895 -7.4992 -7.4992 -4.7456 -4.7456 -1.9052 -1.9052 -1.2427 -1.2427 -1.0467 -1.0467 -0.9981 -0.9981 -0.3754 -0.3754 0.8734 0.8734 0.9295 0.9295 1.0552 1.0552 1.2951 1.2951 1.6973 1.6973 1.7377 1.7377 12.5817 12.5817 13.1280 13.1280 13.3185 13.3185 13.5696 13.5696 k = 0.4000 0.5000 0.2891 ( 3124 PWs) bands (ev): -24.0325 -24.0325 -19.4625 -19.4625 -19.4430 -19.4430 -17.8228 -17.8228 -17.7278 -17.7278 -7.9087 -7.9087 -7.6955 -7.6955 -7.4983 -7.4983 -4.7663 -4.7663 -1.9236 -1.9236 -1.2209 -1.2209 -1.0366 -1.0366 -0.9940 -0.9940 -0.4005 -0.4005 0.8752 0.8752 0.9262 0.9262 1.0485 1.0485 1.3069 1.3069 1.7066 1.7066 1.7421 1.7421 12.5721 12.5721 13.1084 13.1084 13.3516 13.3516 13.5571 13.5571 k = 0.4111 0.5000 0.2891 ( 3124 PWs) bands (ev): -24.0317 -24.0317 -19.4579 -19.4579 -19.4424 -19.4424 -17.8218 -17.8218 -17.7303 -17.7303 -7.9123 -7.9123 -7.7008 -7.7008 -7.4976 -7.4976 -4.7849 -4.7849 -1.9401 -1.9401 -1.2013 -1.2013 -1.0266 -1.0266 -0.9902 -0.9902 -0.4240 -0.4240 0.8761 0.8761 0.9223 0.9223 1.0435 1.0435 1.3179 1.3179 1.7148 1.7148 1.7463 1.7463 12.5634 12.5634 13.0907 13.0907 13.3819 13.3819 13.5457 13.5457 k = 0.4222 0.5000 0.2891 ( 3132 PWs) bands (ev): -24.0310 -24.0310 -19.4538 -19.4538 -19.4418 -19.4418 -17.8209 -17.8209 -17.7326 -17.7326 -7.9156 -7.9156 -7.7055 -7.7055 -7.4968 -7.4968 -4.8014 -4.8014 -1.9547 -1.9547 -1.1839 -1.1839 -1.0169 -1.0169 -0.9868 -0.9868 -0.4458 -0.4458 0.8762 0.8762 0.9184 0.9184 1.0400 1.0400 1.3278 1.3278 1.7218 1.7218 1.7503 1.7503 12.5555 12.5555 13.0750 13.0750 13.4090 13.4090 13.5355 13.5355 k = 0.4333 0.5000 0.2891 ( 3136 PWs) bands (ev): -24.0303 -24.0303 -19.4502 -19.4502 -19.4413 -19.4413 -17.8202 -17.8202 -17.7346 -17.7346 -7.9186 -7.9186 -7.7096 -7.7096 -7.4962 -7.4962 -4.8157 -4.8157 -1.9674 -1.9674 -1.1687 -1.1687 -1.0077 -1.0077 -0.9838 -0.9838 -0.4656 -0.4656 0.8756 0.8756 0.9147 0.9147 1.0375 1.0375 1.3367 1.3367 1.7277 1.7277 1.7540 1.7540 12.5486 12.5486 13.0613 13.0613 13.4329 13.4329 13.5266 13.5266 k = 0.4444 0.5000 0.2891 ( 3144 PWs) bands (ev): -24.0298 -24.0298 -19.4472 -19.4472 -19.4408 -19.4408 -17.8195 -17.8195 -17.7363 -17.7363 -7.9212 -7.9212 -7.7130 -7.7130 -7.4956 -7.4956 -4.8279 -4.8279 -1.9782 -1.9782 -1.1557 -1.1557 -0.9992 -0.9992 -0.9811 -0.9811 -0.4831 -0.4831 0.8745 0.8745 0.9115 0.9115 1.0358 1.0358 1.3443 1.3443 1.7325 1.7325 1.7573 1.7573 12.5427 12.5427 13.0496 13.0496 13.4534 13.4534 13.5190 13.5190 k = 0.4556 0.5000 0.2891 ( 3160 PWs) bands (ev): -24.0294 -24.0294 -19.4447 -19.4447 -19.4404 -19.4404 -17.8190 -17.8190 -17.7378 -17.7378 -7.9234 -7.9234 -7.7158 -7.7158 -7.4951 -7.4951 -4.8379 -4.8379 -1.9871 -1.9871 -1.1451 -1.1451 -0.9918 -0.9918 -0.9788 -0.9788 -0.4981 -0.4981 0.8731 0.8731 0.9089 0.9089 1.0348 1.0348 1.3506 1.3506 1.7362 1.7362 1.7602 1.7602 12.5377 12.5377 13.0400 13.0400 13.4703 13.4703 13.5127 13.5127 k = 0.4667 0.5000 0.2891 ( 3164 PWs) bands (ev): -24.0290 -24.0290 -19.4428 -19.4428 -19.4400 -19.4400 -17.8186 -17.8186 -17.7389 -17.7389 -7.9252 -7.9252 -7.7179 -7.7179 -7.4947 -7.4947 -4.8457 -4.8457 -1.9940 -1.9940 -1.1368 -1.1368 -0.9860 -0.9860 -0.9767 -0.9767 -0.5102 -0.5102 0.8717 0.8717 0.9070 0.9070 1.0341 1.0341 1.3556 1.3556 1.7390 1.7390 1.7626 1.7626 12.5339 12.5339 13.0325 13.0325 13.4835 13.4835 13.5079 13.5079 k = 0.4778 0.5000 0.2891 ( 3160 PWs) bands (ev): -24.0287 -24.0287 -19.4415 -19.4415 -19.4396 -19.4396 -17.8183 -17.8183 -17.7397 -17.7397 -7.9265 -7.9265 -7.7194 -7.7194 -7.4945 -7.4945 -4.8512 -4.8512 -1.9989 -1.9989 -1.1309 -1.1309 -0.9819 -0.9819 -0.9748 -0.9748 -0.5190 -0.5190 0.8704 0.8704 0.9057 0.9057 1.0337 1.0337 1.3592 1.3592 1.7410 1.7410 1.7644 1.7644 12.5311 12.5311 13.0272 13.0272 13.4926 13.4926 13.5048 13.5048 k = 0.4889 0.5000 0.2891 ( 3156 PWs) bands (ev): -24.0286 -24.0286 -19.4409 -19.4409 -19.4393 -19.4393 -17.8181 -17.8181 -17.7402 -17.7402 -7.9272 -7.9272 -7.7204 -7.7204 -7.4943 -7.4943 -4.8545 -4.8545 -2.0018 -2.0018 -1.1273 -1.1273 -0.9798 -0.9798 -0.9732 -0.9732 -0.5244 -0.5244 0.8696 0.8696 0.9050 0.9050 1.0336 1.0336 1.3614 1.3614 1.7421 1.7421 1.7655 1.7655 12.5295 12.5295 13.0239 13.0239 13.4972 13.4972 13.5038 13.5038 k = 0.5000 0.5000 0.2891 ( 3144 PWs) bands (ev): -24.0285 -24.0285 -19.4407 -19.4407 -19.4391 -19.4391 -17.8180 -17.8180 -17.7403 -17.7403 -7.9275 -7.9275 -7.7206 -7.7206 -7.4942 -7.4942 -4.8557 -4.8557 -2.0028 -2.0028 -1.1261 -1.1261 -0.9791 -0.9791 -0.9726 -0.9726 -0.5262 -0.5262 0.8693 0.8693 0.9048 0.9048 1.0335 1.0335 1.3621 1.3621 1.7425 1.7425 1.7659 1.7659 12.5289 12.5289 13.0229 13.0229 13.4981 13.4981 13.5042 13.5042 k = 0.5000 0.5000 0.2891 ( 3144 PWs) bands (ev): -24.0285 -24.0285 -19.4407 -19.4407 -19.4391 -19.4391 -17.8180 -17.8180 -17.7403 -17.7403 -7.9275 -7.9275 -7.7206 -7.7206 -7.4942 -7.4942 -4.8557 -4.8557 -2.0028 -2.0028 -1.1261 -1.1261 -0.9791 -0.9791 -0.9726 -0.9726 -0.5262 -0.5262 0.8693 0.8693 0.9048 0.9048 1.0335 1.0335 1.3621 1.3621 1.7425 1.7425 1.7659 1.7659 12.5289 12.5289 13.0229 13.0229 13.4981 13.4981 13.5042 13.5042 k = 0.4921 0.4921 0.2891 ( 3156 PWs) bands (ev): -24.0286 -24.0286 -19.4410 -19.4410 -19.4392 -19.4392 -17.8181 -17.8181 -17.7402 -17.7402 -7.9272 -7.9272 -7.7204 -7.7204 -7.4943 -7.4943 -4.8545 -4.8545 -2.0018 -2.0018 -1.1273 -1.1273 -0.9800 -0.9800 -0.9731 -0.9731 -0.5244 -0.5244 0.8696 0.8696 0.9050 0.9050 1.0336 1.0336 1.3614 1.3614 1.7421 1.7421 1.7655 1.7655 12.5295 12.5295 13.0240 13.0240 13.4973 13.4973 13.5038 13.5038 k = 0.4841 0.4841 0.2891 ( 3160 PWs) bands (ev): -24.0288 -24.0288 -19.4425 -19.4425 -19.4386 -19.4386 -17.8183 -17.8183 -17.7397 -17.7397 -7.9264 -7.9264 -7.7194 -7.7194 -7.4945 -7.4945 -4.8511 -4.8511 -1.9988 -1.9988 -1.1310 -1.1310 -0.9840 -0.9840 -0.9728 -0.9728 -0.5189 -0.5189 0.8705 0.8705 0.9057 0.9057 1.0337 1.0337 1.3592 1.3592 1.7409 1.7409 1.7644 1.7644 12.5312 12.5312 13.0273 13.0273 13.4929 13.4929 13.5044 13.5044 k = 0.4762 0.4762 0.2891 ( 3164 PWs) bands (ev): -24.0290 -24.0290 -19.4455 -19.4455 -19.4374 -19.4374 -17.8186 -17.8186 -17.7389 -17.7389 -7.9251 -7.9251 -7.7179 -7.7179 -7.4948 -7.4948 -4.8455 -4.8455 -1.9938 -1.9938 -1.1371 -1.1371 -0.9919 -0.9919 -0.9707 -0.9707 -0.5101 -0.5101 0.8719 0.8719 0.9068 0.9068 1.0341 1.0341 1.3555 1.3555 1.7389 1.7389 1.7626 1.7626 12.5339 12.5339 13.0328 13.0328 13.4842 13.4842 13.5069 13.5069 k = 0.4683 0.4683 0.2891 ( 3164 PWs) bands (ev): -24.0294 -24.0294 -19.4497 -19.4497 -19.4355 -19.4355 -17.8190 -17.8190 -17.7377 -17.7377 -7.9233 -7.9233 -7.7157 -7.7157 -7.4952 -7.4952 -4.8376 -4.8376 -1.9867 -1.9867 -1.1455 -1.1455 -1.0030 -1.0030 -0.9673 -0.9673 -0.4983 -0.4983 0.8739 0.8739 0.9083 0.9083 1.0347 1.0347 1.3505 1.3505 1.7360 1.7360 1.7603 1.7603 12.5375 12.5375 13.0406 13.0406 13.4716 13.4716 13.5109 13.5109 k = 0.4603 0.4603 0.2891 ( 3152 PWs) bands (ev): -24.0298 -24.0298 -19.4551 -19.4551 -19.4330 -19.4330 -17.8196 -17.8196 -17.7363 -17.7363 -7.9209 -7.9209 -7.7130 -7.7130 -7.4957 -7.4957 -4.8274 -4.8274 -1.9777 -1.9777 -1.1564 -1.1564 -1.0165 -1.0165 -0.9627 -0.9627 -0.4840 -0.4840 0.8764 0.8764 0.9101 0.9101 1.0358 1.0358 1.3441 1.3441 1.7320 1.7320 1.7575 1.7575 12.5419 12.5419 13.0508 13.0508 13.4554 13.4554 13.5161 13.5161 k = 0.4524 0.4524 0.2891 ( 3136 PWs) bands (ev): -24.0304 -24.0304 -19.4617 -19.4617 -19.4301 -19.4301 -17.8202 -17.8202 -17.7345 -17.7345 -7.9181 -7.9181 -7.7096 -7.7096 -7.4963 -7.4963 -4.8151 -4.8151 -1.9666 -1.9666 -1.1697 -1.1697 -1.0321 -1.0321 -0.9570 -0.9570 -0.4676 -0.4676 0.8792 0.8792 0.9120 0.9120 1.0373 1.0373 1.3366 1.3366 1.7270 1.7270 1.7544 1.7544 12.5470 12.5470 13.0632 13.0632 13.4355 13.4355 13.5226 13.5226 k = 0.4444 0.4444 0.2891 ( 3130 PWs) bands (ev): -24.0311 -24.0311 -19.4694 -19.4694 -19.4265 -19.4265 -17.8210 -17.8210 -17.7325 -17.7325 -7.9148 -7.9148 -7.7057 -7.7057 -7.4969 -7.4969 -4.8006 -4.8006 -1.9535 -1.9535 -1.1853 -1.1853 -1.0491 -1.0491 -0.9502 -0.9502 -0.4496 -0.4496 0.8821 0.8821 0.9140 0.9140 1.0395 1.0395 1.3278 1.3278 1.7208 1.7208 1.7511 1.7511 12.5524 12.5524 13.0781 13.0781 13.4122 13.4122 13.5303 13.5303 k = 0.4365 0.4365 0.2891 ( 3126 PWs) bands (ev): -24.0318 -24.0318 -19.4782 -19.4782 -19.4225 -19.4225 -17.8218 -17.8218 -17.7302 -17.7302 -7.9110 -7.9110 -7.7012 -7.7012 -7.4977 -7.4977 -4.7841 -4.7841 -1.9385 -1.9385 -1.2033 -1.2033 -1.0674 -1.0674 -0.9424 -0.9424 -0.4304 -0.4304 0.8851 0.8851 0.9159 0.9159 1.0426 1.0426 1.3181 1.3181 1.7136 1.7136 1.7476 1.7476 12.5580 12.5580 13.0954 13.0954 13.3854 13.3854 13.5392 13.5392 k = 0.4286 0.4286 0.2891 ( 3126 PWs) bands (ev): -24.0327 -24.0327 -19.4880 -19.4880 -19.4179 -19.4179 -17.8228 -17.8228 -17.7276 -17.7276 -7.9068 -7.9068 -7.6962 -7.6962 -7.4985 -7.4985 -4.7654 -4.7654 -1.9214 -1.9214 -1.2235 -1.2235 -1.0865 -1.0865 -0.9336 -0.9336 -0.4103 -0.4103 0.8878 0.8878 0.9176 0.9176 1.0467 1.0467 1.3076 1.3076 1.7053 1.7053 1.7438 1.7438 12.5635 12.5635 13.1151 13.1151 13.3553 13.3553 13.5492 13.5492 k = 0.4206 0.4206 0.2891 ( 3132 PWs) bands (ev): -24.0336 -24.0336 -19.4989 -19.4989 -19.4129 -19.4129 -17.8238 -17.8238 -17.7248 -17.7248 -7.9022 -7.9022 -7.6906 -7.6906 -7.4994 -7.4994 -4.7448 -4.7448 -1.9024 -1.9024 -1.2460 -1.2460 -1.1062 -1.1062 -0.9237 -0.9237 -0.3895 -0.3895 0.8899 0.8899 0.9193 0.9193 1.0520 1.0520 1.2964 1.2964 1.6960 1.6960 1.7398 1.7398 12.5687 12.5687 13.1371 13.1371 13.3219 13.3219 13.5603 13.5603 k = 0.4127 0.4127 0.2891 ( 3132 PWs) bands (ev): -24.0347 -24.0347 -19.5108 -19.5108 -19.4073 -19.4073 -17.8250 -17.8250 -17.7218 -17.7218 -7.8972 -7.8972 -7.6845 -7.6845 -7.5003 -7.5003 -4.7222 -4.7222 -1.8814 -1.8814 -1.2708 -1.2708 -1.1263 -1.1263 -0.9128 -0.9128 -0.3683 -0.3683 0.8912 0.8912 0.9210 0.9210 1.0585 1.0585 1.2847 1.2847 1.6860 1.6860 1.7356 1.7356 12.5734 12.5734 13.1613 13.1613 13.2854 13.2854 13.5726 13.5726 k = 0.4048 0.4048 0.2891 ( 3136 PWs) bands (ev): -24.0359 -24.0359 -19.5236 -19.5236 -19.4013 -19.4013 -17.8262 -17.8262 -17.7186 -17.7186 -7.8919 -7.8919 -7.6780 -7.6780 -7.5013 -7.5013 -4.6977 -4.6977 -1.8584 -1.8584 -1.2976 -1.2976 -1.1467 -1.1467 -0.9009 -0.9009 -0.3468 -0.3468 0.8912 0.8912 0.9227 0.9227 1.0664 1.0664 1.2728 1.2728 1.6751 1.6751 1.7311 1.7311 12.5774 12.5774 13.1875 13.1875 13.2458 13.2458 13.5861 13.5861 k = 0.3968 0.3968 0.2891 ( 3132 PWs) bands (ev): -24.0371 -24.0371 -19.5373 -19.5373 -19.3948 -19.3948 -17.8275 -17.8275 -17.7153 -17.7153 -7.8862 -7.8862 -7.6709 -7.6709 -7.5022 -7.5022 -4.6715 -4.6715 -1.8334 -1.8334 -1.3266 -1.3266 -1.1671 -1.1671 -0.8880 -0.8880 -0.3253 -0.3253 0.8898 0.8898 0.9245 0.9245 1.0755 1.0755 1.2610 1.2610 1.6637 1.6637 1.7262 1.7262 12.5803 12.5803 13.2032 13.2032 13.2156 13.2156 13.6006 13.6006 k = 0.3889 0.3889 0.2891 ( 3128 PWs) bands (ev): -24.0384 -24.0384 -19.5518 -19.5518 -19.3878 -19.3878 -17.8288 -17.8288 -17.7118 -17.7118 -7.8802 -7.8802 -7.6634 -7.6634 -7.5032 -7.5032 -4.6434 -4.6434 -1.8065 -1.8065 -1.3575 -1.3575 -1.1875 -1.1875 -0.8741 -0.8741 -0.3039 -0.3039 0.8870 0.8870 0.9260 0.9260 1.0858 1.0858 1.2496 1.2496 1.6517 1.6517 1.7211 1.7211 12.5821 12.5821 13.1580 13.1580 13.2448 13.2448 13.6163 13.6163 k = 0.3810 0.3810 0.2891 ( 3134 PWs) bands (ev): -24.0399 -24.0399 -19.5670 -19.5670 -19.3804 -19.3804 -17.8302 -17.8302 -17.7081 -17.7081 -7.8739 -7.8739 -7.6555 -7.6555 -7.5040 -7.5040 -4.6138 -4.6138 -1.7778 -1.7778 -1.3904 -1.3904 -1.2077 -1.2077 -0.8593 -0.8593 -0.2826 -0.2826 0.8829 0.8829 0.9270 0.9270 1.0973 1.0973 1.2389 1.2389 1.6393 1.6393 1.7156 1.7156 12.5825 12.5825 13.1100 13.1100 13.2749 13.2749 13.6331 13.6331 k = 0.3730 0.3730 0.2891 ( 3134 PWs) bands (ev): -24.0414 -24.0414 -19.5830 -19.5830 -19.3726 -19.3726 -17.8316 -17.8316 -17.7044 -17.7044 -7.8674 -7.8674 -7.6473 -7.6473 -7.5049 -7.5049 -4.5825 -4.5825 -1.7471 -1.7471 -1.4252 -1.4252 -1.2277 -1.2277 -0.8435 -0.8435 -0.2616 -0.2616 0.8777 0.8777 0.9271 0.9271 1.1097 1.1097 1.2292 1.2292 1.6266 1.6266 1.7098 1.7098 12.5814 12.5814 13.0594 13.0594 13.3052 13.3052 13.6511 13.6511 k = 0.3651 0.3651 0.2891 ( 3122 PWs) bands (ev): -24.0430 -24.0430 -19.5997 -19.5997 -19.3644 -19.3644 -17.8331 -17.8331 -17.7005 -17.7005 -7.8607 -7.8607 -7.6386 -7.6386 -7.5056 -7.5056 -4.5498 -4.5498 -1.7147 -1.7147 -1.4617 -1.4617 -1.2474 -1.2474 -0.8267 -0.8267 -0.2410 -0.2410 0.8715 0.8715 0.9260 0.9260 1.1229 1.1229 1.2209 1.2209 1.6137 1.6137 1.7037 1.7037 12.5784 12.5784 13.0065 13.0065 13.3348 13.3348 13.6701 13.6701 k = 0.3571 0.3571 0.2891 ( 3116 PWs) bands (ev): -24.0446 -24.0446 -19.6170 -19.6170 -19.3557 -19.3557 -17.8346 -17.8346 -17.6966 -17.6966 -7.8537 -7.8537 -7.6297 -7.6297 -7.5062 -7.5062 -4.5157 -4.5157 -1.6806 -1.6806 -1.4997 -1.4997 -1.2668 -1.2668 -0.8091 -0.8091 -0.2208 -0.2208 0.8644 0.8644 0.9233 0.9233 1.1368 1.1368 1.2144 1.2144 1.6006 1.6006 1.6971 1.6971 12.5734 12.5734 12.9514 12.9514 13.3627 13.3627 13.6903 13.6903 k = 0.3492 0.3492 0.2891 ( 3120 PWs) bands (ev): -24.0464 -24.0464 -19.6348 -19.6348 -19.3467 -19.3467 -17.8361 -17.8361 -17.6926 -17.6926 -7.8467 -7.8467 -7.6205 -7.6205 -7.5066 -7.5066 -4.4803 -4.4803 -1.6453 -1.6453 -1.5387 -1.5387 -1.2858 -1.2858 -0.7905 -0.7905 -0.2011 -0.2011 0.8566 0.8566 0.9189 0.9189 1.1512 1.1512 1.2101 1.2101 1.5874 1.5874 1.6902 1.6902 12.5661 12.5661 12.8942 12.8942 13.3877 13.3877 13.7116 13.7116 k = 0.3413 0.3413 0.2891 ( 3122 PWs) bands (ev): -24.0482 -24.0482 -19.6532 -19.6532 -19.3374 -19.3374 -17.8376 -17.8376 -17.6886 -17.6886 -7.8396 -7.8396 -7.6111 -7.6111 -7.5069 -7.5069 -4.4437 -4.4437 -1.6137 -1.6137 -1.5738 -1.5738 -1.3045 -1.3045 -0.7710 -0.7710 -0.1819 -0.1819 0.8480 0.8480 0.9126 0.9126 1.1657 1.1657 1.2082 1.2082 1.5743 1.5743 1.6829 1.6829 12.5561 12.5561 12.8352 12.8352 13.4084 13.4084 13.7340 13.7340 k = 0.3333 0.3333 0.2891 ( 3118 PWs) bands (ev): -24.0501 -24.0501 -19.6719 -19.6719 -19.3277 -19.3277 -17.8391 -17.8391 -17.6846 -17.6846 -7.8323 -7.8323 -7.6015 -7.6015 -7.5070 -7.5070 -4.4061 -4.4061 -1.6305 -1.6305 -1.5601 -1.5601 -1.3227 -1.3227 -0.7507 -0.7507 -0.1631 -0.1631 0.8388 0.8388 0.9044 0.9044 1.1797 1.1797 1.2093 1.2093 1.5613 1.5613 1.6752 1.6752 12.5432 12.5432 12.7746 12.7746 13.4232 13.4232 13.7575 13.7575 k = 0.3254 0.3254 0.2891 ( 3126 PWs) bands (ev): -24.0521 -24.0521 -19.6911 -19.6911 -19.3177 -19.3177 -17.8406 -17.8406 -17.6806 -17.6806 -7.8251 -7.8251 -7.5917 -7.5917 -7.5069 -7.5069 -4.3675 -4.3675 -1.6726 -1.6726 -1.5208 -1.5208 -1.3404 -1.3404 -0.7296 -0.7296 -0.1450 -0.1450 0.8292 0.8292 0.8944 0.8944 1.1919 1.1919 1.2145 1.2145 1.5485 1.5485 1.6671 1.6671 12.5270 12.5270 12.7125 12.7125 13.4308 13.4308 13.7821 13.7821 k = 0.3175 0.3175 0.2891 ( 3128 PWs) bands (ev): -24.0541 -24.0541 -19.7106 -19.7106 -19.3074 -19.3074 -17.8420 -17.8420 -17.6766 -17.6766 -7.8178 -7.8178 -7.5819 -7.5819 -7.5065 -7.5065 -4.3280 -4.3280 -1.7176 -1.7176 -1.4783 -1.4783 -1.3577 -1.3577 -0.7076 -0.7076 -0.1273 -0.1273 0.8190 0.8190 0.8829 0.8829 1.2012 1.2012 1.2248 1.2248 1.5359 1.5359 1.6586 1.6586 12.5069 12.5069 12.6492 12.6492 13.4300 13.4300 13.8078 13.8078 k = 0.3095 0.3095 0.2891 ( 3134 PWs) bands (ev): -24.0562 -24.0562 -19.7303 -19.7303 -19.2969 -19.2969 -17.8435 -17.8435 -17.6727 -17.6727 -7.8105 -7.8105 -7.5721 -7.5721 -7.5058 -7.5058 -4.2877 -4.2877 -1.7640 -1.7640 -1.4342 -1.4342 -1.3741 -1.3741 -0.6849 -0.6849 -0.1102 -0.1102 0.8084 0.8084 0.8699 0.8699 1.2088 1.2088 1.2386 1.2386 1.5236 1.5236 1.6497 1.6497 12.4827 12.4827 12.5847 12.5847 13.4208 13.4208 13.8265 13.8265 k = 0.3016 0.3016 0.2891 ( 3138 PWs) bands (ev): -24.0583 -24.0583 -19.7503 -19.7503 -19.2861 -19.2861 -17.8449 -17.8449 -17.6687 -17.6687 -7.8033 -7.8033 -7.5623 -7.5623 -7.5047 -7.5047 -4.2468 -4.2468 -1.8116 -1.8116 -1.3983 -1.3983 -1.3801 -1.3801 -0.6613 -0.6613 -0.0936 -0.0936 0.7975 0.7975 0.8559 0.8559 1.2163 1.2163 1.2538 1.2538 1.5116 1.5116 1.6404 1.6404 12.4539 12.4539 12.5195 12.5195 13.4037 13.4037 13.7265 13.7265 k = 0.2937 0.2937 0.2891 ( 3138 PWs) bands (ev): -24.0605 -24.0605 -19.7704 -19.7704 -19.2751 -19.2751 -17.8463 -17.8463 -17.6649 -17.6649 -7.7962 -7.7962 -7.5526 -7.5526 -7.5031 -7.5031 -4.2054 -4.2054 -1.8601 -1.8601 -1.4093 -1.4093 -1.3373 -1.3373 -0.6371 -0.6371 -0.0774 -0.0774 0.7862 0.7862 0.8410 0.8410 1.2246 1.2246 1.2696 1.2696 1.5000 1.5000 1.6307 1.6307 12.4202 12.4202 12.4536 12.4536 13.3805 13.3805 13.6277 13.6277 k = 0.2857 0.2857 0.2891 ( 3138 PWs) bands (ev): -24.0627 -24.0627 -19.7907 -19.7907 -19.2639 -19.2639 -17.8476 -17.8476 -17.6611 -17.6611 -7.7892 -7.7892 -7.5432 -7.5432 -7.5010 -7.5010 -4.1635 -4.1635 -1.9094 -1.9094 -1.4248 -1.4248 -1.2882 -1.2882 -0.6121 -0.6121 -0.0615 -0.0615 0.7746 0.7746 0.8255 0.8255 1.2336 1.2336 1.2855 1.2855 1.4887 1.4887 1.6205 1.6205 12.3808 12.3808 12.3876 12.3876 13.3529 13.3529 13.5304 13.5304 k = 0.2778 0.2778 0.2891 ( 3146 PWs) bands (ev): -24.0650 -24.0650 -19.8110 -19.8110 -19.2525 -19.2525 -17.8488 -17.8488 -17.6573 -17.6573 -7.7824 -7.7824 -7.5342 -7.5342 -7.4982 -7.4982 -4.1213 -4.1213 -1.9593 -1.9593 -1.4402 -1.4402 -1.2375 -1.2375 -0.5864 -0.5864 -0.0460 -0.0460 0.7628 0.7628 0.8096 0.8096 1.2432 1.2432 1.3014 1.3014 1.4777 1.4777 1.6100 1.6100 12.3201 12.3201 12.3374 12.3374 13.3232 13.3232 13.4346 13.4346 k = 0.2698 0.2698 0.2891 ( 3138 PWs) bands (ev): -24.0673 -24.0673 -19.8313 -19.8313 -19.2410 -19.2410 -17.8500 -17.8500 -17.6537 -17.6537 -7.7757 -7.7757 -7.5259 -7.5259 -7.4945 -7.4945 -4.0789 -4.0789 -2.0097 -2.0097 -1.4553 -1.4553 -1.1853 -1.1853 -0.5600 -0.5600 -0.0308 -0.0308 0.7508 0.7508 0.7934 0.7934 1.2535 1.2535 1.3170 1.3170 1.4672 1.4672 1.5990 1.5990 12.2532 12.2532 12.2880 12.2880 13.2929 13.2929 13.3407 13.3407 k = 0.2619 0.2619 0.2891 ( 3138 PWs) bands (ev): -24.0696 -24.0696 -19.8516 -19.8516 -19.2294 -19.2294 -17.8512 -17.8512 -17.6501 -17.6501 -7.7692 -7.7692 -7.5184 -7.5184 -7.4897 -7.4897 -4.0364 -4.0364 -2.0604 -2.0604 -1.4703 -1.4703 -1.1320 -1.1320 -0.5331 -0.5331 -0.0157 -0.0157 0.7386 0.7386 0.7772 0.7772 1.2642 1.2642 1.3324 1.3324 1.4569 1.4569 1.5875 1.5875 12.1864 12.1864 12.2338 12.2338 13.2469 13.2469 13.2652 13.2652 k = 0.2540 0.2540 0.2891 ( 3134 PWs) bands (ev): -24.0719 -24.0719 -19.8718 -19.8718 -19.2177 -19.2177 -17.8522 -17.8522 -17.6467 -17.6467 -7.7629 -7.7629 -7.5120 -7.5120 -7.4837 -7.4837 -3.9939 -3.9939 -2.1114 -2.1114 -1.4849 -1.4849 -1.0775 -1.0775 -0.5055 -0.5055 -0.0007 -0.0007 0.7263 0.7263 0.7609 0.7609 1.2753 1.2753 1.3473 1.3473 1.4470 1.4470 1.5757 1.5757 12.1196 12.1196 12.1752 12.1752 13.1571 13.1571 13.2369 13.2369 k = 0.2460 0.2460 0.2891 ( 3136 PWs) bands (ev): -24.0743 -24.0743 -19.8918 -19.8918 -19.2060 -19.2060 -17.8533 -17.8533 -17.6433 -17.6433 -7.7569 -7.7569 -7.5065 -7.5065 -7.4766 -7.4766 -3.9515 -3.9515 -2.1624 -2.1624 -1.4994 -1.4994 -1.0220 -1.0220 -0.4774 -0.4774 0.0142 0.0142 0.7139 0.7139 0.7448 0.7448 1.2866 1.2866 1.3619 1.3619 1.4373 1.4373 1.5634 1.5634 12.0532 12.0532 12.1127 12.1127 13.0684 13.0684 13.2116 13.2116 k = 0.2381 0.2381 0.2891 ( 3136 PWs) bands (ev): -24.0767 -24.0767 -19.9117 -19.9117 -19.1942 -19.1942 -17.8542 -17.8542 -17.6401 -17.6401 -7.7511 -7.7511 -7.5017 -7.5017 -7.4687 -7.4687 -3.9093 -3.9093 -2.2133 -2.2133 -1.5136 -1.5136 -0.9657 -0.9657 -0.4488 -0.4488 0.0292 0.0292 0.7014 0.7014 0.7289 0.7289 1.2981 1.2981 1.3759 1.3759 1.4279 1.4279 1.5507 1.5507 11.9872 11.9872 12.0470 12.0470 12.9816 12.9816 13.1887 13.1887 k = 0.2302 0.2302 0.2891 ( 3136 PWs) bands (ev): -24.0791 -24.0791 -19.9314 -19.9314 -19.1824 -19.1824 -17.8550 -17.8550 -17.6369 -17.6369 -7.7455 -7.7455 -7.4972 -7.4972 -7.4604 -7.4604 -3.8675 -3.8675 -2.2640 -2.2640 -1.5276 -1.5276 -0.9087 -0.9087 -0.4197 -0.4197 0.0444 0.0444 0.6889 0.6889 0.7133 0.7133 1.3098 1.3098 1.3894 1.3894 1.4187 1.4187 1.5375 1.5375 11.9218 11.9218 11.9789 11.9789 12.8968 12.8968 13.1683 13.1683 k = 0.2222 0.2222 0.2891 ( 3140 PWs) bands (ev): -24.0814 -24.0814 -19.9507 -19.9507 -19.1707 -19.1707 -17.8558 -17.8558 -17.6339 -17.6339 -7.7402 -7.7402 -7.4928 -7.4928 -7.4519 -7.4519 -3.8260 -3.8260 -2.3145 -2.3145 -1.5415 -1.5415 -0.8511 -0.8511 -0.3902 -0.3902 0.0598 0.0598 0.6763 0.6763 0.6981 0.6981 1.3214 1.3214 1.4023 1.4023 1.4096 1.4096 1.5240 1.5240 11.8571 11.8571 11.9089 11.9089 12.8139 12.8139 13.1500 13.1500 k = 0.2143 0.2143 0.2891 ( 3148 PWs) bands (ev): -24.0838 -24.0838 -19.9698 -19.9698 -19.1590 -19.1590 -17.8566 -17.8566 -17.6310 -17.6310 -7.7352 -7.7352 -7.4886 -7.4886 -7.4434 -7.4434 -3.7851 -3.7851 -2.3644 -2.3644 -1.5552 -1.5552 -0.7930 -0.7930 -0.3603 -0.3603 0.0755 0.0755 0.6638 0.6638 0.6833 0.6833 1.3330 1.3330 1.4005 1.4005 1.4146 1.4146 1.5100 1.5100 11.7932 11.7932 11.8377 11.8377 12.7333 12.7333 13.1337 13.1337 k = 0.2063 0.2063 0.2891 ( 3140 PWs) bands (ev): -24.0862 -24.0862 -19.9885 -19.9885 -19.1475 -19.1475 -17.8572 -17.8572 -17.6282 -17.6282 -7.7304 -7.7304 -7.4842 -7.4842 -7.4348 -7.4348 -3.7448 -3.7448 -2.4137 -2.4137 -1.5688 -1.5688 -0.7346 -0.7346 -0.3301 -0.3301 0.0916 0.0916 0.6513 0.6513 0.6691 0.6691 1.3444 1.3444 1.3916 1.3916 1.4262 1.4262 1.4956 1.4956 11.7302 11.7302 11.7660 11.7660 12.6548 12.6548 13.1192 13.1192 k = 0.1984 0.1984 0.2891 ( 3140 PWs) bands (ev): -24.0885 -24.0885 -20.0068 -20.0068 -19.1360 -19.1360 -17.8578 -17.8578 -17.6255 -17.6255 -7.7258 -7.7258 -7.4798 -7.4798 -7.4264 -7.4264 -3.7052 -3.7052 -2.4623 -2.4623 -1.5822 -1.5822 -0.6762 -0.6762 -0.2996 -0.2996 0.1082 0.1082 0.6389 0.6389 0.6553 0.6553 1.3554 1.3554 1.3830 1.3830 1.4372 1.4372 1.4809 1.4809 11.6682 11.6682 11.6942 11.6942 12.5785 12.5785 13.1062 13.1062 k = 0.1905 0.1905 0.2891 ( 3152 PWs) bands (ev): -24.0908 -24.0908 -20.0248 -20.0248 -19.1247 -19.1247 -17.8583 -17.8583 -17.6230 -17.6230 -7.7215 -7.7215 -7.4754 -7.4754 -7.4182 -7.4182 -3.6664 -3.6664 -2.5101 -2.5101 -1.5954 -1.5954 -0.6178 -0.6178 -0.2689 -0.2689 0.1252 0.1252 0.6266 0.6266 0.6420 0.6420 1.3638 1.3638 1.3765 1.3765 1.4473 1.4473 1.4660 1.4660 11.6073 11.6073 11.6230 11.6230 12.5046 12.5046 13.0944 13.0944 k = 0.1825 0.1825 0.2891 ( 3158 PWs) bands (ev): -24.0931 -24.0931 -20.0422 -20.0422 -19.1136 -19.1136 -17.8587 -17.8587 -17.6206 -17.6206 -7.7175 -7.7175 -7.4710 -7.4710 -7.4102 -7.4102 -3.6285 -3.6285 -2.5569 -2.5569 -1.6085 -1.6085 -0.5595 -0.5595 -0.2380 -0.2380 0.1427 0.1427 0.6144 0.6144 0.6293 0.6293 1.3607 1.3607 1.3811 1.3811 1.4494 1.4494 1.4581 1.4581 11.5470 11.5470 11.5532 11.5532 12.4331 12.4331 13.0839 13.0839 k = 0.1746 0.1746 0.2891 ( 3154 PWs) bands (ev): -24.0953 -24.0953 -20.0592 -20.0592 -19.1027 -19.1027 -17.8591 -17.8591 -17.6183 -17.6183 -7.7136 -7.7136 -7.4665 -7.4665 -7.4024 -7.4024 -3.5915 -3.5915 -2.6026 -2.6026 -1.6214 -1.6214 -0.5017 -0.5017 -0.2069 -0.2069 0.1608 0.1608 0.6025 0.6025 0.6171 0.6171 1.3518 1.3518 1.3909 1.3909 1.4343 1.4343 1.4666 1.4666 11.4819 11.4819 11.4908 11.4908 12.3641 12.3641 13.0742 13.0742 k = 0.1667 0.1667 0.2891 ( 3154 PWs) bands (ev): -24.0975 -24.0975 -20.0756 -20.0756 -19.0920 -19.0920 -17.8593 -17.8593 -17.6161 -17.6161 -7.7100 -7.7100 -7.4620 -7.4620 -7.3949 -7.3949 -3.5556 -3.5556 -2.6472 -2.6472 -1.6342 -1.6342 -0.4445 -0.4445 -0.1759 -0.1759 0.1795 0.1795 0.5909 0.5909 0.6055 0.6055 1.3419 1.3419 1.4005 1.4005 1.4189 1.4189 1.4749 1.4749 11.4144 11.4144 11.4337 11.4337 12.2976 12.2976 13.0654 13.0654 k = 0.1587 0.1587 0.2891 ( 3154 PWs) bands (ev): -24.0997 -24.0997 -20.0914 -20.0914 -19.0816 -19.0816 -17.8596 -17.8596 -17.6140 -17.6140 -7.7066 -7.7066 -7.4575 -7.4575 -7.3877 -7.3877 -3.5208 -3.5208 -2.6904 -2.6904 -1.6466 -1.6466 -0.3881 -0.3881 -0.1448 -0.1448 0.1987 0.1987 0.5796 0.5796 0.5943 0.5943 1.3315 1.3315 1.3998 1.3998 1.4134 1.4134 1.4825 1.4825 11.3484 11.3484 11.3785 11.3785 12.2337 12.2337 13.0573 13.0573 k = 0.1508 0.1508 0.2891 ( 3160 PWs) bands (ev): -24.1017 -24.1017 -20.1067 -20.1067 -19.0715 -19.0715 -17.8598 -17.8598 -17.6121 -17.6121 -7.7034 -7.7034 -7.4531 -7.4531 -7.3807 -7.3807 -3.4872 -3.4872 -2.7322 -2.7322 -1.6589 -1.6589 -0.3328 -0.3328 -0.1139 -0.1139 0.2184 0.2184 0.5687 0.5687 0.5837 0.5837 1.3206 1.3206 1.3843 1.3843 1.4222 1.4222 1.4896 1.4896 11.2843 11.2843 11.3250 11.3250 12.1724 12.1724 13.0498 13.0498 k = 0.1429 0.1429 0.2891 ( 3150 PWs) bands (ev): -24.1038 -24.1038 -20.1214 -20.1214 -19.0618 -19.0618 -17.8599 -17.8599 -17.6102 -17.6102 -7.7004 -7.7004 -7.4487 -7.4487 -7.3740 -7.3740 -3.4548 -3.4548 -2.7724 -2.7724 -1.6709 -1.6709 -0.2785 -0.2785 -0.0831 -0.0831 0.2386 0.2386 0.5582 0.5582 0.5736 0.5736 1.3092 1.3092 1.3678 1.3678 1.4315 1.4315 1.4961 1.4961 11.2225 11.2225 11.2734 11.2734 12.1140 12.1140 13.0428 13.0428 k = 0.1349 0.1349 0.2891 ( 3146 PWs) bands (ev): -24.1057 -24.1057 -20.1354 -20.1354 -19.0523 -19.0523 -17.8600 -17.8600 -17.6085 -17.6085 -7.6976 -7.6976 -7.4445 -7.4445 -7.3676 -7.3676 -3.4238 -3.4238 -2.8111 -2.8111 -1.6825 -1.6825 -0.2257 -0.2257 -0.0527 -0.0527 0.2592 0.2592 0.5482 0.5482 0.5641 0.5641 1.2973 1.2973 1.3511 1.3511 1.4405 1.4405 1.5021 1.5021 11.1631 11.1631 11.2237 11.2237 12.0582 12.0582 13.0363 13.0363 k = 0.1270 0.1270 0.2891 ( 3146 PWs) bands (ev): -24.1076 -24.1076 -20.1487 -20.1487 -19.0433 -19.0433 -17.8600 -17.8600 -17.6069 -17.6069 -7.6949 -7.6949 -7.4404 -7.4404 -7.3615 -7.3615 -3.3942 -3.3942 -2.8480 -2.8480 -1.6938 -1.6938 -0.1746 -0.1746 -0.0226 -0.0226 0.2802 0.2802 0.5386 0.5386 0.5550 0.5550 1.2848 1.2848 1.3343 1.3343 1.4491 1.4491 1.5075 1.5075 11.1064 11.1064 11.1760 11.1760 12.0053 12.0053 13.0302 13.0302 k = 0.1190 0.1190 0.2891 ( 3150 PWs) bands (ev): -24.1093 -24.1093 -20.1614 -20.1614 -19.0347 -19.0347 -17.8601 -17.8601 -17.6054 -17.6054 -7.6925 -7.6925 -7.4364 -7.4364 -7.3558 -7.3558 -3.3660 -3.3660 -2.8832 -2.8832 -1.7047 -1.7047 -0.1252 -0.1252 0.0071 0.0071 0.3015 0.3015 0.5296 0.5296 0.5465 0.5465 1.2719 1.2719 1.3176 1.3176 1.4572 1.4572 1.5124 1.5124 11.0523 11.0523 11.1305 11.1305 11.9553 11.9553 13.0246 13.0246 k = 0.1111 0.1111 0.2891 ( 3162 PWs) bands (ev): -24.1111 -24.1111 -20.1734 -20.1734 -19.0265 -19.0265 -17.8601 -17.8601 -17.6040 -17.6040 -7.6902 -7.6902 -7.4326 -7.4326 -7.3504 -7.3504 -3.3394 -3.3394 -2.9166 -2.9166 -1.7152 -1.7152 -0.0779 -0.0779 0.0361 0.0361 0.3228 0.3228 0.5211 0.5211 0.5386 0.5386 1.2585 1.2585 1.3011 1.3011 1.4647 1.4647 1.5169 1.5169 11.0012 11.0012 11.0872 11.0872 11.9083 11.9083 13.0192 13.0192 k = 0.1032 0.1032 0.2891 ( 3154 PWs) bands (ev): -24.1127 -24.1127 -20.1846 -20.1846 -19.0188 -19.0188 -17.8600 -17.8600 -17.6027 -17.6027 -7.6880 -7.6880 -7.4291 -7.4291 -7.3453 -7.3453 -3.3144 -3.3144 -2.9479 -2.9479 -1.7252 -1.7252 -0.0328 -0.0328 0.0644 0.0644 0.3442 0.3442 0.5131 0.5131 0.5312 0.5312 1.2446 1.2446 1.2848 1.2848 1.4718 1.4718 1.5209 1.5209 10.9531 10.9531 11.0462 11.0462 11.8643 11.8643 13.0143 13.0143 k = 0.0952 0.0952 0.2891 ( 3158 PWs) bands (ev): -24.1142 -24.1142 -20.1950 -20.1950 -19.0115 -19.0115 -17.8599 -17.8599 -17.6016 -17.6016 -7.6860 -7.6860 -7.4257 -7.4257 -7.3405 -7.3405 -3.2910 -3.2910 -2.9772 -2.9772 -1.7347 -1.7347 0.0098 0.0098 0.0919 0.0919 0.3653 0.3653 0.5058 0.5058 0.5244 0.5244 1.2305 1.2305 1.2689 1.2689 1.4782 1.4782 1.5246 1.5246 10.9082 10.9082 11.0078 11.0078 11.8233 11.8233 13.0097 13.0097 k = 0.0873 0.0873 0.2891 ( 3158 PWs) bands (ev): -24.1156 -24.1156 -20.2047 -20.2047 -19.0048 -19.0048 -17.8599 -17.8599 -17.6005 -17.6005 -7.6842 -7.6842 -7.4226 -7.4226 -7.3361 -7.3361 -3.2693 -3.2693 -3.0044 -3.0044 -1.7435 -1.7435 0.0497 0.0497 0.1183 0.1183 0.3861 0.3861 0.4991 0.4991 0.5182 0.5182 1.2161 1.2161 1.2534 1.2534 1.4841 1.4841 1.5280 1.5280 10.8665 10.8665 10.9719 10.9719 11.7854 11.7854 13.0054 13.0054 k = 0.0794 0.0794 0.2891 ( 3166 PWs) bands (ev): -24.1169 -24.1169 -20.2136 -20.2136 -18.9985 -18.9985 -17.8598 -17.8598 -17.5995 -17.5995 -7.6826 -7.6826 -7.4197 -7.4197 -7.3321 -7.3321 -3.2493 -3.2493 -3.0294 -3.0294 -1.7518 -1.7518 0.0869 0.0869 0.1436 0.1436 0.4060 0.4060 0.4932 0.4932 0.5126 0.5126 1.2018 1.2018 1.2385 1.2385 1.4893 1.4893 1.5311 1.5311 10.8281 10.8281 10.9387 10.9387 11.7507 11.7507 13.0015 13.0015 k = 0.0714 0.0714 0.2891 ( 3158 PWs) bands (ev): -24.1181 -24.1181 -20.2217 -20.2217 -18.9928 -18.9928 -17.8597 -17.8597 -17.5986 -17.5986 -7.6811 -7.6811 -7.4170 -7.4170 -7.3284 -7.3284 -3.2311 -3.2311 -3.0523 -3.0523 -1.7595 -1.7595 0.1210 0.1210 0.1675 0.1675 0.4247 0.4247 0.4885 0.4885 0.5076 0.5076 1.1876 1.1876 1.2242 1.2242 1.4940 1.4940 1.5340 1.5340 10.7932 10.7932 10.9083 10.9083 11.7191 11.7191 12.9979 12.9979 k = 0.0635 0.0635 0.2891 ( 3160 PWs) bands (ev): -24.1191 -24.1191 -20.2290 -20.2290 -18.9877 -18.9877 -17.8596 -17.8596 -17.5979 -17.5979 -7.6797 -7.6797 -7.4146 -7.4146 -7.3250 -7.3250 -3.2148 -3.2148 -3.0728 -3.0728 -1.7664 -1.7664 0.1520 0.1520 0.1898 0.1898 0.4411 0.4411 0.4857 0.4857 0.5032 0.5032 1.1739 1.1739 1.2106 1.2106 1.4980 1.4980 1.5366 1.5366 10.7617 10.7617 10.8808 10.8808 11.6908 11.6908 12.9946 12.9946 k = 0.0556 0.0556 0.2891 ( 3160 PWs) bands (ev): -24.1201 -24.1201 -20.2354 -20.2354 -18.9831 -18.9831 -17.8595 -17.8595 -17.5972 -17.5972 -7.6785 -7.6785 -7.4125 -7.4125 -7.3221 -7.3221 -3.2003 -3.2003 -3.0910 -3.0910 -1.7726 -1.7726 0.1797 0.1797 0.2102 0.2102 0.4529 0.4529 0.4868 0.4868 0.4994 0.4994 1.1608 1.1608 1.1980 1.1980 1.5014 1.5014 1.5390 1.5390 10.7338 10.7338 10.8563 10.8563 11.6657 11.6657 12.9917 12.9917 k = 0.0476 0.0476 0.2891 ( 3160 PWs) bands (ev): -24.1209 -24.1209 -20.2410 -20.2410 -18.9791 -18.9791 -17.8594 -17.8594 -17.5966 -17.5966 -7.6775 -7.6775 -7.4107 -7.4107 -7.3195 -7.3195 -3.1877 -3.1877 -3.1068 -3.1068 -1.7781 -1.7781 0.2040 0.2040 0.2285 0.2285 0.4577 0.4577 0.4940 0.4940 0.4963 0.4963 1.1487 1.1487 1.1864 1.1864 1.5042 1.5042 1.5411 1.5411 10.7096 10.7096 10.8349 10.8349 11.6439 11.6439 12.9892 12.9892 k = 0.0397 0.0397 0.2891 ( 3156 PWs) bands (ev): -24.1216 -24.1216 -20.2458 -20.2458 -18.9757 -18.9757 -17.8593 -17.8593 -17.5961 -17.5961 -7.6766 -7.6766 -7.4091 -7.4091 -7.3173 -7.3173 -3.1771 -3.1771 -3.1202 -3.1202 -1.7827 -1.7827 0.2249 0.2249 0.2444 0.2444 0.4579 0.4579 0.4937 0.4937 0.5047 0.5047 1.1379 1.1379 1.1761 1.1761 1.5065 1.5065 1.5430 1.5430 10.6889 10.6889 10.8166 10.8166 11.6255 11.6255 12.9871 12.9871 k = 0.0317 0.0317 0.2891 ( 3160 PWs) bands (ev): -24.1222 -24.1222 -20.2497 -20.2497 -18.9729 -18.9729 -17.8592 -17.8592 -17.5957 -17.5957 -7.6759 -7.6759 -7.4078 -7.4078 -7.3155 -7.3155 -3.1686 -3.1686 -3.1309 -3.1309 -1.7866 -1.7866 0.2424 0.2424 0.2576 0.2576 0.4564 0.4564 0.4917 0.4917 0.5155 0.5155 1.1285 1.1285 1.1672 1.1672 1.5083 1.5083 1.5445 1.5445 10.6720 10.6720 10.8015 10.8015 11.6103 11.6103 12.9853 12.9853 k = 0.0238 0.0238 0.2891 ( 3168 PWs) bands (ev): -24.1227 -24.1227 -20.2528 -20.2528 -18.9707 -18.9707 -17.8592 -17.8592 -17.5954 -17.5954 -7.6753 -7.6753 -7.4068 -7.4068 -7.3142 -7.3142 -3.1623 -3.1623 -3.1389 -3.1389 -1.7896 -1.7896 0.2564 0.2564 0.2678 0.2678 0.4548 0.4548 0.4902 0.4902 0.5247 0.5247 1.1209 1.1209 1.1601 1.1601 1.5097 1.5097 1.5458 1.5458 10.6588 10.6588 10.7898 10.7898 11.5985 11.5985 12.9839 12.9839 k = 0.0159 0.0159 0.2891 ( 3170 PWs) bands (ev): -24.1230 -24.1230 -20.2550 -20.2550 -18.9691 -18.9691 -17.8591 -17.8591 -17.5952 -17.5952 -7.6749 -7.6749 -7.4061 -7.4061 -7.3132 -7.3132 -3.1588 -3.1588 -3.1438 -3.1438 -1.7918 -1.7918 0.2668 0.2668 0.2747 0.2747 0.4534 0.4534 0.4891 0.4891 0.5317 0.5317 1.1152 1.1152 1.1548 1.1548 1.5106 1.5106 1.5467 1.5467 10.6493 10.6493 10.7813 10.7813 11.5900 11.5900 12.9829 12.9829 k = 0.0079 0.0079 0.2891 ( 3170 PWs) bands (ev): -24.1232 -24.1232 -20.2563 -20.2563 -18.9682 -18.9682 -17.8591 -17.8591 -17.5950 -17.5950 -7.6747 -7.6747 -7.4057 -7.4057 -7.3126 -7.3126 -3.1578 -3.1578 -3.1456 -3.1456 -1.7931 -1.7931 0.2737 0.2737 0.2784 0.2784 0.4525 0.4525 0.4885 0.4885 0.5360 0.5360 1.1118 1.1118 1.1516 1.1516 1.5111 1.5111 1.5473 1.5473 10.6436 10.6436 10.7763 10.7763 11.5849 11.5849 12.9823 12.9823 k = 0.0000 0.0000 0.2891 ( 3162 PWs) bands (ev): -24.1233 -24.1233 -20.2567 -20.2567 -18.9679 -18.9679 -17.8591 -17.8591 -17.5950 -17.5950 -7.6746 -7.6746 -7.4055 -7.4055 -7.3124 -7.3124 -3.1578 -3.1578 -3.1458 -3.1458 -1.7935 -1.7935 0.2764 0.2764 0.2794 0.2794 0.4522 0.4522 0.4883 0.4883 0.5375 0.5375 1.1106 1.1106 1.1505 1.1505 1.5113 1.5113 1.5475 1.5475 10.6418 10.6418 10.7746 10.7746 11.5832 11.5832 12.9822 12.9822 k = 0.0000 0.5000-0.0000 ( 3112 PWs) bands (ev): -24.0700 -24.0700 -19.6655 -19.6655 -19.4720 -19.4720 -17.8014 -17.8014 -17.6834 -17.6834 -7.8344 -7.8344 -7.5833 -7.5833 -7.3018 -7.3018 -3.3624 -3.3624 -2.7298 -2.7298 -1.0207 -1.0207 -0.7848 -0.7848 -0.5864 -0.5864 -0.2188 -0.2188 0.0077 0.0077 0.7848 0.7848 1.1852 1.1852 1.2780 1.2780 1.3367 1.3367 1.8613 1.8613 12.0179 12.0179 12.3526 12.3526 12.5919 12.5919 13.1352 13.1352 k = 0.0000 0.5000 0.0111 ( 3118 PWs) bands (ev): -24.0700 -24.0700 -19.6655 -19.6655 -19.4720 -19.4720 -17.8018 -17.8018 -17.6831 -17.6831 -7.8344 -7.8344 -7.5833 -7.5833 -7.3018 -7.3018 -3.3621 -3.3621 -2.7298 -2.7298 -1.0214 -1.0214 -0.7867 -0.7867 -0.5860 -0.5860 -0.2188 -0.2188 0.0099 0.0099 0.7858 0.7858 1.1845 1.1845 1.2737 1.2737 1.3410 1.3410 1.8606 1.8606 12.0183 12.0183 12.3537 12.3537 12.5874 12.5874 13.1409 13.1409 k = 0.0000 0.5000 0.0222 ( 3122 PWs) bands (ev): -24.0700 -24.0700 -19.6654 -19.6654 -19.4720 -19.4720 -17.8029 -17.8029 -17.6822 -17.6822 -7.8344 -7.8344 -7.5832 -7.5832 -7.3018 -7.3018 -3.3613 -3.3613 -2.7298 -2.7298 -1.0235 -1.0235 -0.7922 -0.7922 -0.5851 -0.5851 -0.2189 -0.2189 0.0166 0.0166 0.7890 0.7890 1.1822 1.1822 1.2633 1.2633 1.3515 1.3515 1.8585 1.8585 12.0194 12.0194 12.3570 12.3570 12.5747 12.5747 13.1574 13.1574 k = 0.0000 0.5000 0.0334 ( 3120 PWs) bands (ev): -24.0700 -24.0700 -19.6653 -19.6653 -19.4721 -19.4721 -17.8045 -17.8045 -17.6806 -17.6806 -7.8343 -7.8343 -7.5831 -7.5831 -7.3018 -7.3018 -3.3598 -3.3598 -2.7296 -2.7296 -1.0270 -1.0270 -0.8012 -0.8012 -0.5835 -0.5835 -0.2189 -0.2189 0.0274 0.0274 0.7942 0.7942 1.1785 1.1785 1.2503 1.2503 1.3648 1.3648 1.8550 1.8550 12.0211 12.0211 12.3625 12.3625 12.5550 12.5550 13.1834 13.1834 k = 0.0000 0.5000 0.0445 ( 3120 PWs) bands (ev): -24.0700 -24.0700 -19.6651 -19.6651 -19.4721 -19.4721 -17.8068 -17.8068 -17.6786 -17.6786 -7.8342 -7.8342 -7.5829 -7.5829 -7.3018 -7.3018 -3.3579 -3.3579 -2.7295 -2.7295 -1.0317 -1.0317 -0.8133 -0.8133 -0.5814 -0.5814 -0.2189 -0.2189 0.0421 0.0421 0.8014 0.8014 1.1733 1.1733 1.2363 1.2363 1.3793 1.3793 1.8501 1.8501 12.0234 12.0234 12.3703 12.3703 12.5301 12.5301 13.2171 13.2171 k = 0.0000 0.5000 0.0556 ( 3128 PWs) bands (ev): -24.0700 -24.0700 -19.6649 -19.6649 -19.4721 -19.4721 -17.8095 -17.8095 -17.6762 -17.6762 -7.8340 -7.8340 -7.5827 -7.5827 -7.3018 -7.3018 -3.3554 -3.3554 -2.7293 -2.7293 -1.0376 -1.0376 -0.8281 -0.8281 -0.5788 -0.5788 -0.2190 -0.2190 0.0602 0.0602 0.8106 0.8106 1.1667 1.1667 1.2219 1.2219 1.3941 1.3941 1.8438 1.8438 12.0263 12.0263 12.3805 12.3805 12.5017 12.5017 13.2568 13.2568 k = 0.0000 0.5000 0.0667 ( 3128 PWs) bands (ev): -24.0700 -24.0700 -19.6646 -19.6646 -19.4721 -19.4721 -17.8127 -17.8127 -17.6734 -17.6734 -7.8338 -7.8338 -7.5825 -7.5825 -7.3017 -7.3017 -3.3525 -3.3525 -2.7291 -2.7291 -1.0445 -1.0445 -0.8451 -0.8451 -0.5758 -0.5758 -0.2190 -0.2190 0.0813 0.0813 0.8217 0.8217 1.1586 1.1586 1.2075 1.2075 1.4091 1.4091 1.8362 1.8362 12.0295 12.0295 12.3930 12.3930 12.4710 12.4710 13.3012 13.3012 k = 0.0000 0.5000 0.0778 ( 3132 PWs) bands (ev): -24.0700 -24.0700 -19.6643 -19.6643 -19.4721 -19.4721 -17.8162 -17.8162 -17.6703 -17.6703 -7.8336 -7.8336 -7.5822 -7.5822 -7.3017 -7.3017 -3.3491 -3.3491 -2.7288 -2.7288 -1.0522 -1.0522 -0.8639 -0.8639 -0.5725 -0.5725 -0.2191 -0.2191 0.1051 0.1051 0.8346 0.8346 1.1491 1.1491 1.1933 1.1933 1.4240 1.4240 1.8273 1.8273 12.0330 12.0330 12.4081 12.4081 12.4392 12.4392 13.3493 13.3493 k = 0.0000 0.5000 0.0890 ( 3132 PWs) bands (ev): -24.0700 -24.0700 -19.6640 -19.6640 -19.4722 -19.4722 -17.8199 -17.8199 -17.6671 -17.6671 -7.8334 -7.8334 -7.5819 -7.5819 -7.3017 -7.3017 -3.3452 -3.3452 -2.7285 -2.7285 -1.0606 -1.0606 -0.8841 -0.8841 -0.5689 -0.5689 -0.2192 -0.2192 0.1310 0.1310 0.8492 0.8492 1.1384 1.1384 1.1793 1.1793 1.4386 1.4386 1.8172 1.8172 12.0368 12.0368 12.4069 12.4069 12.4257 12.4257 13.4001 13.4001 k = 0.0000 0.5000 0.1001 ( 3132 PWs) bands (ev): -24.0700 -24.0700 -19.6636 -19.6636 -19.4722 -19.4722 -17.8237 -17.8237 -17.6637 -17.6637 -7.8331 -7.8331 -7.5815 -7.5815 -7.3016 -7.3016 -3.3411 -3.3411 -2.7282 -2.7282 -1.0695 -1.0695 -0.9052 -0.9052 -0.5652 -0.5652 -0.2193 -0.2193 0.1587 0.1587 0.8653 0.8653 1.1265 1.1265 1.1656 1.1656 1.4528 1.4528 1.8058 1.8058 12.0406 12.0406 12.3747 12.3747 12.4458 12.4458 13.4531 13.4531 k = 0.0000 0.5000 0.1112 ( 3138 PWs) bands (ev): -24.0700 -24.0700 -19.6632 -19.6632 -19.4722 -19.4722 -17.8277 -17.8277 -17.6603 -17.6603 -7.8329 -7.8329 -7.5812 -7.5812 -7.3016 -7.3016 -3.3366 -3.3366 -2.7278 -2.7278 -1.0788 -1.0788 -0.9268 -0.9268 -0.5615 -0.5615 -0.2194 -0.2194 0.1879 0.1879 0.8828 0.8828 1.1135 1.1135 1.1522 1.1522 1.4666 1.4666 1.7933 1.7933 12.0444 12.0444 12.3431 12.3431 12.4686 12.4686 13.5077 13.5077 k = 0.0000 0.5000 0.1223 ( 3138 PWs) bands (ev): -24.0700 -24.0700 -19.6628 -19.6628 -19.4723 -19.4723 -17.8316 -17.8316 -17.6569 -17.6569 -7.8326 -7.8326 -7.5808 -7.5808 -7.3015 -7.3015 -3.3318 -3.3318 -2.7275 -2.7275 -1.0883 -1.0883 -0.9487 -0.9487 -0.5577 -0.5577 -0.2195 -0.2195 0.2182 0.2182 0.9016 0.9016 1.0996 1.0996 1.1390 1.1390 1.4799 1.4799 1.7798 1.7798 12.0481 12.0481 12.3124 12.3124 12.4940 12.4940 13.5635 13.5635 k = 0.0000 0.5000 0.1334 ( 3126 PWs) bands (ev): -24.0700 -24.0700 -19.6623 -19.6623 -19.4723 -19.4723 -17.8355 -17.8355 -17.6536 -17.6536 -7.8322 -7.8322 -7.5803 -7.5803 -7.3015 -7.3015 -3.3269 -3.3269 -2.7271 -2.7271 -1.0979 -1.0979 -0.9705 -0.9705 -0.5540 -0.5540 -0.2196 -0.2196 0.2494 0.2494 0.9214 0.9214 1.0847 1.0847 1.1262 1.1262 1.4927 1.4927 1.7652 1.7652 12.0516 12.0516 12.2830 12.2830 12.5219 12.5219 13.6200 13.6200 k = 0.0000 0.5000 0.1446 ( 3126 PWs) bands (ev): -24.0699 -24.0699 -19.6619 -19.6619 -19.4723 -19.4723 -17.8394 -17.8394 -17.6503 -17.6503 -7.8319 -7.8319 -7.5799 -7.5799 -7.3014 -7.3014 -3.3219 -3.3219 -2.7267 -2.7267 -1.1073 -1.1073 -0.9919 -0.9919 -0.5504 -0.5504 -0.2197 -0.2197 0.2812 0.2812 0.9421 0.9421 1.0690 1.0690 1.1139 1.1139 1.5047 1.5047 1.7497 1.7497 12.0550 12.0550 12.2549 12.2549 12.5523 12.5523 13.6769 13.6769 k = 0.0000 0.5000 0.1557 ( 3126 PWs) bands (ev): -24.0699 -24.0699 -19.6614 -19.6614 -19.4724 -19.4724 -17.8431 -17.8431 -17.6472 -17.6472 -7.8316 -7.8316 -7.5795 -7.5795 -7.3014 -7.3014 -3.3168 -3.3168 -2.7264 -2.7264 -1.1166 -1.1166 -1.0128 -1.0128 -0.5470 -0.5470 -0.2199 -0.2199 0.3135 0.3135 0.9633 0.9633 1.0525 1.0525 1.1022 1.1022 1.5162 1.5162 1.7335 1.7335 12.0581 12.0581 12.2283 12.2283 12.5849 12.5849 13.7338 13.7338 k = 0.0000 0.5000 0.1668 ( 3142 PWs) bands (ev): -24.0699 -24.0699 -19.6610 -19.6610 -19.4724 -19.4724 -17.8466 -17.8466 -17.6442 -17.6442 -7.8314 -7.8314 -7.5792 -7.5792 -7.3013 -7.3013 -3.3118 -3.3118 -2.7260 -2.7260 -1.1256 -1.1256 -1.0327 -1.0327 -0.5438 -0.5438 -0.2200 -0.2200 0.3459 0.3459 0.9845 0.9845 1.0355 1.0355 1.0912 1.0912 1.5268 1.5268 1.7166 1.7166 12.0609 12.0609 12.2034 12.2034 12.6197 12.6197 13.7903 13.7903 k = 0.0000 0.5000 0.1779 ( 3148 PWs) bands (ev): -24.0699 -24.0699 -19.6606 -19.6606 -19.4724 -19.4724 -17.8500 -17.8500 -17.6414 -17.6414 -7.8311 -7.8311 -7.5788 -7.5788 -7.3013 -7.3013 -3.3069 -3.3069 -2.7256 -2.7256 -1.1341 -1.1341 -1.0516 -1.0516 -0.5408 -0.5408 -0.2201 -0.2201 0.3782 0.3782 1.0012 1.0012 1.0223 1.0223 1.0811 1.0811 1.5367 1.5367 1.6993 1.6993 12.0635 12.0635 12.1804 12.1804 12.6563 12.6563 13.8458 13.8458 k = 0.0000 0.5000 0.1891 ( 3150 PWs) bands (ev): -24.0699 -24.0699 -19.6602 -19.6602 -19.4725 -19.4725 -17.8531 -17.8531 -17.6388 -17.6388 -7.8308 -7.8308 -7.5784 -7.5784 -7.3013 -7.3013 -3.3021 -3.3021 -2.7253 -2.7253 -1.1421 -1.1421 -1.0693 -1.0693 -0.5380 -0.5380 -0.2202 -0.2202 0.4104 0.4104 0.9923 0.9923 1.0337 1.0337 1.0720 1.0720 1.5458 1.5458 1.6817 1.6817 12.0658 12.0658 12.1593 12.1593 12.6943 12.6943 13.8999 13.8999 k = 0.0000 0.5000 0.2002 ( 3146 PWs) bands (ev): -24.0699 -24.0699 -19.6598 -19.6598 -19.4725 -19.4725 -17.8560 -17.8560 -17.6365 -17.6365 -7.8305 -7.8305 -7.5781 -7.5781 -7.3012 -7.3012 -3.2976 -3.2976 -2.7250 -2.7250 -1.1495 -1.1495 -1.0856 -1.0856 -0.5355 -0.5355 -0.2203 -0.2203 0.4422 0.4422 0.9733 0.9733 1.0530 1.0530 1.0651 1.0651 1.5540 1.5540 1.6641 1.6641 12.0679 12.0679 12.1401 12.1401 12.7334 12.7334 13.9518 13.9518 k = 0.0000 0.5000 0.2113 ( 3140 PWs) bands (ev): -24.0699 -24.0699 -19.6594 -19.6594 -19.4725 -19.4725 -17.8585 -17.8585 -17.6343 -17.6343 -7.8303 -7.8303 -7.5777 -7.5777 -7.3012 -7.3012 -3.2935 -3.2935 -2.7247 -2.7247 -1.1562 -1.1562 -1.1003 -1.1003 -0.5333 -0.5333 -0.2204 -0.2204 0.4732 0.4732 0.9529 0.9529 1.0546 1.0546 1.0770 1.0770 1.5613 1.5613 1.6467 1.6467 12.0697 12.0697 12.1231 12.1231 12.7730 12.7730 14.0009 14.0009 k = 0.0000 0.5000 0.2224 ( 3132 PWs) bands (ev): -24.0699 -24.0699 -19.6591 -19.6591 -19.4725 -19.4725 -17.8608 -17.8608 -17.6325 -17.6325 -7.8301 -7.8301 -7.5774 -7.5774 -7.3011 -7.3011 -3.2897 -3.2897 -2.7244 -2.7244 -1.1621 -1.1621 -1.1133 -1.1133 -0.5313 -0.5313 -0.2205 -0.2205 0.5031 0.5031 0.9320 0.9320 1.0486 1.0486 1.0967 1.0967 1.5677 1.5677 1.6300 1.6300 12.0713 12.0713 12.1083 12.1083 12.8121 12.8121 14.0384 14.0384 k = 0.0000 0.5000 0.2335 ( 3134 PWs) bands (ev): -24.0699 -24.0699 -19.6588 -19.6588 -19.4726 -19.4726 -17.8628 -17.8628 -17.6309 -17.6309 -7.8299 -7.8299 -7.5772 -7.5772 -7.3011 -7.3011 -3.2864 -3.2864 -2.7242 -2.7242 -1.1672 -1.1672 -1.1246 -1.1246 -0.5297 -0.5297 -0.2206 -0.2206 0.5316 0.5316 0.9112 0.9112 1.0432 1.0432 1.1153 1.1153 1.5731 1.5731 1.6144 1.6144 12.0726 12.0726 12.0956 12.0956 12.8497 12.8497 13.9787 13.9787 k = 0.0000 0.5000 0.2447 ( 3138 PWs) bands (ev): -24.0699 -24.0699 -19.6586 -19.6586 -19.4726 -19.4726 -17.8644 -17.8644 -17.6295 -17.6295 -7.8297 -7.8297 -7.5770 -7.5770 -7.3011 -7.3011 -3.2836 -3.2836 -2.7240 -2.7240 -1.1715 -1.1715 -1.1340 -1.1340 -0.5283 -0.5283 -0.2207 -0.2207 0.5579 0.5579 0.8912 0.8912 1.0387 1.0387 1.1320 1.1320 1.5774 1.5774 1.6005 1.6005 12.0736 12.0736 12.0852 12.0852 12.8846 12.8846 13.9226 13.9226 k = 0.0000 0.5000 0.2558 ( 3130 PWs) bands (ev): -24.0699 -24.0699 -19.6584 -19.6584 -19.4726 -19.4726 -17.8657 -17.8657 -17.6285 -17.6285 -7.8296 -7.8296 -7.5768 -7.5768 -7.3010 -7.3010 -3.2814 -3.2814 -2.7238 -2.7238 -1.1748 -1.1748 -1.1413 -1.1413 -0.5273 -0.5273 -0.2207 -0.2207 0.5811 0.5811 0.8729 0.8729 1.0352 1.0352 1.1459 1.1459 1.5801 1.5801 1.5893 1.5893 12.0743 12.0743 12.0771 12.0771 12.9149 12.9149 13.8756 13.8756 k = 0.0000 0.5000 0.2669 ( 3130 PWs) bands (ev): -24.0699 -24.0699 -19.6583 -19.6583 -19.4726 -19.4726 -17.8666 -17.8666 -17.6278 -17.6278 -7.8295 -7.8295 -7.5767 -7.5767 -7.3010 -7.3010 -3.2798 -3.2798 -2.7237 -2.7237 -1.1772 -1.1772 -1.1466 -1.1466 -0.5265 -0.5265 -0.2207 -0.2207 0.5999 0.5999 0.8576 0.8576 1.0327 1.0327 1.1565 1.1565 1.5774 1.5774 1.5854 1.5854 12.0710 12.0710 12.0751 12.0751 12.9388 12.9388 13.8398 13.8398 k = 0.0000 0.5000 0.2780 ( 3122 PWs) bands (ev): -24.0699 -24.0699 -19.6582 -19.6582 -19.4726 -19.4726 -17.8671 -17.8671 -17.6273 -17.6273 -7.8294 -7.8294 -7.5766 -7.5766 -7.3010 -7.3010 -3.2788 -3.2788 -2.7236 -2.7236 -1.1787 -1.1787 -1.1498 -1.1498 -0.5260 -0.5260 -0.2208 -0.2208 0.6125 0.6125 0.8472 0.8472 1.0312 1.0312 1.1632 1.1632 1.5725 1.5725 1.5862 1.5862 12.0676 12.0676 12.0754 12.0754 12.9541 12.9541 13.8173 13.8173 k = 0.0000 0.5000 0.2891 ( 3124 PWs) bands (ev): -24.0699 -24.0699 -19.6582 -19.6582 -19.4726 -19.4726 -17.8673 -17.8673 -17.6272 -17.6272 -7.8294 -7.8294 -7.5766 -7.5766 -7.3010 -7.3010 -3.2785 -3.2785 -2.7236 -2.7236 -1.1792 -1.1792 -1.1509 -1.1509 -0.5259 -0.5259 -0.2208 -0.2208 0.6169 0.6169 0.8435 0.8435 1.0306 1.0306 1.1654 1.1654 1.5706 1.5706 1.5866 1.5866 12.0664 12.0664 12.0755 12.0755 12.9594 12.9594 13.8096 13.8096 k = 0.5000 0.5000-0.0000 ( 3124 PWs) bands (ev): -24.0286 -24.0286 -19.4408 -19.4408 -19.4392 -19.4392 -17.9046 -17.9046 -17.6491 -17.6491 -7.9224 -7.9224 -7.7150 -7.7150 -7.4886 -7.4886 -4.9366 -4.9366 -2.0237 -2.0237 -1.1270 -1.1270 -1.0404 -1.0404 -1.0290 -1.0290 0.0020 0.0020 0.5580 0.5580 0.9145 0.9145 0.9410 0.9410 1.3620 1.3620 1.7655 1.7655 1.7935 1.7935 12.9765 12.9765 13.1549 13.1549 13.7691 13.7691 13.7720 13.7720 k = 0.5000 0.5000 0.0111 ( 3124 PWs) bands (ev): -24.0286 -24.0286 -19.4408 -19.4408 -19.4392 -19.4392 -17.9044 -17.9044 -17.6493 -17.6493 -7.9224 -7.9224 -7.7150 -7.7150 -7.4886 -7.4886 -4.9363 -4.9363 -2.0236 -2.0236 -1.1270 -1.1270 -1.0402 -1.0402 -1.0288 -1.0288 -0.0015 -0.0015 0.5613 0.5613 0.9144 0.9144 0.9409 0.9409 1.3620 1.3620 1.7654 1.7654 1.7934 1.7934 12.9746 12.9746 13.1545 13.1545 13.7679 13.7679 13.7708 13.7708 k = 0.5000 0.5000 0.0222 ( 3120 PWs) bands (ev): -24.0286 -24.0286 -19.4408 -19.4408 -19.4392 -19.4392 -17.9038 -17.9038 -17.6499 -17.6499 -7.9224 -7.9224 -7.7151 -7.7151 -7.4886 -7.4886 -4.9355 -4.9355 -2.0234 -2.0234 -1.1270 -1.1270 -1.0396 -1.0396 -1.0282 -1.0282 -0.0116 -0.0116 0.5709 0.5709 0.9139 0.9139 0.9405 0.9405 1.3620 1.3620 1.7652 1.7652 1.7931 1.7931 12.9686 12.9686 13.1530 13.1530 13.7641 13.7641 13.7671 13.7671 k = 0.5000 0.5000 0.0334 ( 3120 PWs) bands (ev): -24.0286 -24.0286 -19.4408 -19.4408 -19.4392 -19.4392 -17.9028 -17.9028 -17.6510 -17.6510 -7.9225 -7.9225 -7.7152 -7.7152 -7.4887 -7.4887 -4.9341 -4.9341 -2.0230 -2.0230 -1.1269 -1.1269 -1.0385 -1.0385 -1.0273 -1.0273 -0.0277 -0.0277 0.5860 0.5860 0.9132 0.9132 0.9399 0.9399 1.3620 1.3620 1.7647 1.7647 1.7926 1.7926 12.9589 12.9589 13.1505 13.1505 13.7580 13.7580 13.7611 13.7611 k = 0.5000 0.5000 0.0445 ( 3116 PWs) bands (ev): -24.0285 -24.0285 -19.4408 -19.4408 -19.4391 -19.4391 -17.9014 -17.9014 -17.6526 -17.6526 -7.9227 -7.9227 -7.7153 -7.7153 -7.4888 -7.4888 -4.9321 -4.9321 -2.0225 -2.0225 -1.1269 -1.1269 -1.0370 -1.0370 -1.0259 -1.0259 -0.0487 -0.0487 0.6057 0.6057 0.9122 0.9122 0.9391 0.9391 1.3620 1.3620 1.7641 1.7641 1.7919 1.7919 12.9457 12.9457 13.1472 13.1472 13.7497 13.7497 13.7529 13.7529 k = 0.5000 0.5000 0.0556 ( 3116 PWs) bands (ev): -24.0285 -24.0285 -19.4408 -19.4408 -19.4391 -19.4391 -17.8996 -17.8996 -17.6545 -17.6545 -7.9228 -7.9228 -7.7155 -7.7155 -7.4890 -7.4890 -4.9297 -4.9297 -2.0218 -2.0218 -1.1269 -1.1269 -1.0351 -1.0351 -1.0242 -1.0242 -0.0735 -0.0735 0.6289 0.6289 0.9109 0.9109 0.9380 0.9380 1.3620 1.3620 1.7634 1.7634 1.7910 1.7910 12.9293 12.9293 13.1429 13.1429 13.7394 13.7394 13.7427 13.7427 k = 0.5000 0.5000 0.0667 ( 3112 PWs) bands (ev): -24.0285 -24.0285 -19.4408 -19.4408 -19.4391 -19.4391 -17.8974 -17.8974 -17.6569 -17.6569 -7.9230 -7.9230 -7.7157 -7.7157 -7.4892 -7.4892 -4.9267 -4.9267 -2.0210 -2.0210 -1.1268 -1.1268 -1.0329 -1.0329 -1.0222 -1.0222 -0.1011 -0.1011 0.6545 0.6545 0.9094 0.9094 0.9367 0.9367 1.3620 1.3620 1.7625 1.7625 1.7900 1.7900 12.9100 12.9100 13.1379 13.1379 13.7274 13.7274 13.7309 13.7309 k = 0.5000 0.5000 0.0778 ( 3120 PWs) bands (ev): -24.0285 -24.0285 -19.4408 -19.4408 -19.4391 -19.4391 -17.8948 -17.8948 -17.6596 -17.6596 -7.9232 -7.9232 -7.7160 -7.7160 -7.4895 -7.4895 -4.9233 -4.9233 -2.0201 -2.0201 -1.1268 -1.1268 -1.0304 -1.0304 -1.0198 -1.0198 -0.1307 -0.1307 0.6817 0.6817 0.9077 0.9077 0.9352 0.9352 1.3620 1.3620 1.7615 1.7615 1.7888 1.7888 12.8883 12.8883 13.1321 13.1321 13.7139 13.7139 13.7175 13.7175 k = 0.5000 0.5000 0.0890 ( 3128 PWs) bands (ev): -24.0286 -24.0286 -19.4408 -19.4408 -19.4391 -19.4391 -17.8919 -17.8919 -17.6628 -17.6628 -7.9235 -7.9235 -7.7163 -7.7163 -7.4897 -7.4897 -4.9195 -4.9195 -2.0191 -2.0191 -1.1268 -1.1268 -1.0275 -1.0275 -1.0172 -1.0172 -0.1615 -0.1615 0.7099 0.7099 0.9058 0.9058 0.9336 0.9336 1.3620 1.3620 1.7604 1.7604 1.7874 1.7874 12.8646 12.8646 13.1257 13.1257 13.6992 13.6992 13.7031 13.7031 k = 0.5000 0.5000 0.1001 ( 3120 PWs) bands (ev): -24.0285 -24.0285 -19.4408 -19.4408 -19.4391 -19.4391 -17.8886 -17.8886 -17.6663 -17.6663 -7.9237 -7.9237 -7.7165 -7.7165 -7.4900 -7.4900 -4.9154 -4.9154 -2.0181 -2.0181 -1.1267 -1.1267 -1.0244 -1.0244 -1.0143 -1.0143 -0.1929 -0.1929 0.7385 0.7385 0.9037 0.9037 0.9318 0.9318 1.3620 1.3620 1.7592 1.7592 1.7860 1.7860 12.8394 12.8394 13.1188 13.1188 13.6837 13.6837 13.6878 13.6878 k = 0.5000 0.5000 0.1112 ( 3112 PWs) bands (ev): -24.0285 -24.0285 -19.4408 -19.4408 -19.4391 -19.4391 -17.8850 -17.8850 -17.6701 -17.6701 -7.9240 -7.9240 -7.7168 -7.7168 -7.4903 -7.4903 -4.9110 -4.9110 -2.0169 -2.0169 -1.1266 -1.1266 -1.0210 -1.0210 -1.0112 -1.0112 -0.2244 -0.2244 0.7669 0.7669 0.9016 0.9016 0.9298 0.9298 1.3620 1.3620 1.7579 1.7579 1.7845 1.7845 12.8132 12.8132 13.1114 13.1114 13.6677 13.6677 13.6719 13.6719 k = 0.5000 0.5000 0.1223 ( 3120 PWs) bands (ev): -24.0285 -24.0285 -19.4408 -19.4408 -19.4391 -19.4391 -17.8811 -17.8811 -17.6744 -17.6744 -7.9243 -7.9243 -7.7171 -7.7171 -7.4907 -7.4907 -4.9064 -4.9064 -2.0157 -2.0157 -1.1266 -1.1266 -1.0176 -1.0176 -1.0080 -1.0080 -0.2557 -0.2557 0.7947 0.7947 0.8994 0.8994 0.9278 0.9278 1.3621 1.3621 1.7566 1.7566 1.7829 1.7829 12.7863 12.7863 13.1037 13.1037 13.6513 13.6513 13.6558 13.6558 k = 0.5000 0.5000 0.1334 ( 3120 PWs) bands (ev): -24.0285 -24.0285 -19.4408 -19.4408 -19.4391 -19.4391 -17.8769 -17.8769 -17.6788 -17.6788 -7.9246 -7.9246 -7.7175 -7.7175 -7.4910 -7.4910 -4.9016 -4.9016 -2.0145 -2.0145 -1.1265 -1.1265 -1.0139 -1.0139 -1.0047 -1.0047 -0.2863 -0.2863 0.8216 0.8216 0.8974 0.8974 0.9257 0.9257 1.3621 1.3621 1.7552 1.7552 1.7812 1.7812 12.7593 12.7593 13.0959 13.0959 13.6349 13.6349 13.6395 13.6395 k = 0.5000 0.5000 0.1446 ( 3128 PWs) bands (ev): -24.0285 -24.0285 -19.4408 -19.4408 -19.4391 -19.4391 -17.8724 -17.8724 -17.6836 -17.6836 -7.9249 -7.9249 -7.7178 -7.7178 -7.4914 -7.4914 -4.8968 -4.8968 -2.0132 -2.0132 -1.1265 -1.1265 -1.0103 -1.0103 -1.0013 -1.0013 -0.3160 -0.3160 0.8468 0.8468 0.8960 0.8960 0.9235 0.9235 1.3621 1.3621 1.7538 1.7538 1.7795 1.7795 12.7324 12.7324 13.0879 13.0879 13.6187 13.6187 13.6235 13.6235 k = 0.5000 0.5000 0.1557 ( 3128 PWs) bands (ev): -24.0285 -24.0285 -19.4408 -19.4408 -19.4391 -19.4391 -17.8677 -17.8677 -17.6886 -17.6886 -7.9252 -7.9252 -7.7182 -7.7182 -7.4917 -7.4917 -4.8919 -4.8919 -2.0120 -2.0120 -1.1264 -1.1264 -1.0066 -1.0066 -0.9979 -0.9979 -0.3444 -0.3444 0.8684 0.8684 0.8969 0.8969 0.9213 0.9213 1.3621 1.3621 1.7524 1.7524 1.7779 1.7779 12.7061 12.7061 13.0799 13.0799 13.6029 13.6029 13.6079 13.6079 k = 0.5000 0.5000 0.1668 ( 3128 PWs) bands (ev): -24.0285 -24.0285 -19.4407 -19.4407 -19.4391 -19.4391 -17.8628 -17.8628 -17.6938 -17.6938 -7.9255 -7.9255 -7.7185 -7.7185 -7.4920 -7.4920 -4.8870 -4.8870 -2.0107 -2.0107 -1.1264 -1.1264 -1.0029 -1.0029 -0.9945 -0.9945 -0.3714 -0.3714 0.8798 0.8798 0.9067 0.9067 0.9191 0.9191 1.3621 1.3621 1.7510 1.7510 1.7762 1.7762 12.6808 12.6808 13.0722 13.0722 13.5877 13.5877 13.5929 13.5929 k = 0.5000 0.5000 0.1779 ( 3120 PWs) bands (ev): -24.0285 -24.0285 -19.4407 -19.4407 -19.4391 -19.4391 -17.8577 -17.8577 -17.6991 -17.6991 -7.9258 -7.9258 -7.7188 -7.7188 -7.4923 -7.4923 -4.8823 -4.8823 -2.0095 -2.0095 -1.1263 -1.1263 -0.9993 -0.9993 -0.9912 -0.9912 -0.3967 -0.3967 0.8813 0.8813 0.9170 0.9170 0.9248 0.9248 1.3621 1.3621 1.7498 1.7498 1.7747 1.7747 12.6566 12.6566 13.0646 13.0646 13.5733 13.5733 13.5786 13.5786 k = 0.5000 0.5000 0.1891 ( 3112 PWs) bands (ev): -24.0285 -24.0285 -19.4407 -19.4407 -19.4391 -19.4391 -17.8525 -17.8525 -17.7046 -17.7046 -7.9261 -7.9261 -7.7191 -7.7191 -7.4926 -7.4926 -4.8778 -4.8778 -2.0084 -2.0084 -1.1263 -1.1263 -0.9959 -0.9959 -0.9881 -0.9881 -0.4201 -0.4201 0.8801 0.8801 0.9150 0.9150 0.9440 0.9440 1.3621 1.3621 1.7485 1.7485 1.7732 1.7732 12.6340 12.6340 13.0575 13.0575 13.5599 13.5599 13.5653 13.5653 k = 0.5000 0.5000 0.2002 ( 3112 PWs) bands (ev): -24.0285 -24.0285 -19.4407 -19.4407 -19.4391 -19.4391 -17.8472 -17.8472 -17.7101 -17.7101 -7.9263 -7.9263 -7.7194 -7.7194 -7.4929 -7.4929 -4.8735 -4.8735 -2.0073 -2.0073 -1.1262 -1.1262 -0.9927 -0.9927 -0.9851 -0.9851 -0.4416 -0.4416 0.8783 0.8783 0.9130 0.9130 0.9620 0.9620 1.3621 1.3621 1.7474 1.7474 1.7717 1.7717 12.6130 12.6130 13.0507 13.0507 13.5475 13.5475 13.5531 13.5531 k = 0.5000 0.5000 0.2113 ( 3128 PWs) bands (ev): -24.0285 -24.0285 -19.4407 -19.4407 -19.4391 -19.4391 -17.8420 -17.8420 -17.7155 -17.7155 -7.9266 -7.9266 -7.7197 -7.7197 -7.4932 -7.4932 -4.8697 -4.8697 -2.0063 -2.0063 -1.1262 -1.1262 -0.9897 -0.9897 -0.9824 -0.9824 -0.4609 -0.4609 0.8765 0.8765 0.9112 0.9112 0.9783 0.9783 1.3621 1.3621 1.7463 1.7463 1.7704 1.7704 12.5941 12.5941 13.0446 13.0446 13.5363 13.5363 13.5420 13.5420 k = 0.5000 0.5000 0.2224 ( 3128 PWs) bands (ev): -24.0285 -24.0285 -19.4407 -19.4407 -19.4391 -19.4391 -17.8369 -17.8369 -17.7208 -17.7208 -7.9268 -7.9268 -7.7199 -7.7199 -7.4934 -7.4934 -4.8661 -4.8661 -2.0054 -2.0054 -1.1262 -1.1262 -0.9870 -0.9870 -0.9799 -0.9799 -0.4779 -0.4779 0.8747 0.8747 0.9096 0.9096 0.9927 0.9927 1.3621 1.3621 1.7453 1.7453 1.7693 1.7693 12.5773 12.5773 13.0391 13.0391 13.5264 13.5264 13.5322 13.5322 k = 0.5000 0.5000 0.2335 ( 3144 PWs) bands (ev): -24.0285 -24.0285 -19.4407 -19.4407 -19.4391 -19.4391 -17.8321 -17.8321 -17.7259 -17.7259 -7.9270 -7.9270 -7.7202 -7.7202 -7.4937 -7.4937 -4.8630 -4.8630 -2.0047 -2.0047 -1.1262 -1.1262 -0.9847 -0.9847 -0.9778 -0.9778 -0.4925 -0.4925 0.8731 0.8731 0.9082 0.9082 1.0050 1.0050 1.3621 1.3621 1.7445 1.7445 1.7683 1.7683 12.5628 12.5628 13.0342 13.0342 13.5179 13.5179 13.5238 13.5238 k = 0.5000 0.5000 0.2447 ( 3152 PWs) bands (ev): -24.0285 -24.0285 -19.4407 -19.4407 -19.4391 -19.4391 -17.8276 -17.8276 -17.7305 -17.7305 -7.9272 -7.9272 -7.7203 -7.7203 -7.4939 -7.4939 -4.8604 -4.8604 -2.0040 -2.0040 -1.1262 -1.1262 -0.9827 -0.9827 -0.9760 -0.9760 -0.5045 -0.5045 0.8718 0.8718 0.9070 0.9070 1.0152 1.0152 1.3621 1.3621 1.7438 1.7438 1.7674 1.7674 12.5507 12.5507 13.0302 13.0302 13.5108 13.5108 13.5168 13.5168 k = 0.5000 0.5000 0.2558 ( 3164 PWs) bands (ev): -24.0285 -24.0285 -19.4408 -19.4408 -19.4391 -19.4391 -17.8237 -17.8237 -17.7345 -17.7345 -7.9273 -7.9273 -7.7205 -7.7205 -7.4940 -7.4940 -4.8584 -4.8584 -2.0035 -2.0035 -1.1262 -1.1262 -0.9812 -0.9812 -0.9745 -0.9745 -0.5140 -0.5140 0.8707 0.8707 0.9060 0.9060 1.0232 1.0232 1.3621 1.3621 1.7432 1.7432 1.7667 1.7667 12.5412 12.5412 13.0270 13.0270 13.5053 13.5053 13.5113 13.5113 k = 0.5000 0.5000 0.2669 ( 3168 PWs) bands (ev): -24.0286 -24.0286 -19.4408 -19.4408 -19.4391 -19.4391 -17.8207 -17.8207 -17.7376 -17.7376 -7.9274 -7.9274 -7.7206 -7.7206 -7.4942 -7.4942 -4.8569 -4.8569 -2.0031 -2.0031 -1.1261 -1.1261 -0.9801 -0.9801 -0.9735 -0.9735 -0.5208 -0.5208 0.8699 0.8699 0.9053 0.9053 1.0289 1.0289 1.3621 1.3621 1.7428 1.7428 1.7662 1.7662 12.5344 12.5344 13.0247 13.0247 13.5013 13.5013 13.5073 13.5073 k = 0.5000 0.5000 0.2780 ( 3152 PWs) bands (ev): -24.0285 -24.0285 -19.4407 -19.4407 -19.4391 -19.4391 -17.8187 -17.8187 -17.7396 -17.7396 -7.9275 -7.9275 -7.7206 -7.7206 -7.4942 -7.4942 -4.8560 -4.8560 -2.0029 -2.0029 -1.1261 -1.1261 -0.9794 -0.9794 -0.9728 -0.9728 -0.5249 -0.5249 0.8694 0.8694 0.9049 0.9049 1.0323 1.0323 1.3621 1.3621 1.7426 1.7426 1.7659 1.7659 12.5303 12.5303 13.0233 13.0233 13.4989 13.4989 13.5050 13.5050 k = 0.5000 0.5000 0.2891 ( 3144 PWs) bands (ev): -24.0285 -24.0285 -19.4407 -19.4407 -19.4391 -19.4391 -17.8180 -17.8180 -17.7403 -17.7403 -7.9275 -7.9275 -7.7206 -7.7206 -7.4942 -7.4942 -4.8557 -4.8557 -2.0028 -2.0028 -1.1261 -1.1261 -0.9791 -0.9791 -0.9726 -0.9726 -0.5262 -0.5262 0.8693 0.8693 0.9048 0.9048 1.0335 1.0335 1.3621 1.3621 1.7425 1.7425 1.7659 1.7659 12.5289 12.5289 13.0229 13.0229 13.4981 13.4981 13.5042 13.5042 Writing output data file KAlF4.save init_run : 0.23s CPU 0.34s WALL ( 1 calls) electrons : 110.20s CPU 112.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 110.19s CPU 112.57s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 393 calls) cegterg : 98.77s CPU 100.53s WALL ( 405 calls) Called by sum_band: Called by *egterg: h_psi : 46.87s CPU 48.15s WALL ( 7736 calls) s_psi : 3.38s CPU 3.37s WALL ( 7736 calls) g_psi : 0.18s CPU 0.17s WALL ( 6938 calls) cdiaghg : 43.60s CPU 44.33s WALL ( 7331 calls) cegterg:over : 4.30s CPU 4.29s WALL ( 6938 calls) cegterg:upda : 3.03s CPU 3.07s WALL ( 6938 calls) cegterg:last : 2.03s CPU 2.06s WALL ( 1191 calls) cdiaghg:chol : 2.37s CPU 2.40s WALL ( 7331 calls) cdiaghg:inve : 1.52s CPU 1.57s WALL ( 7331 calls) cdiaghg:para : 2.63s CPU 2.56s WALL ( 14662 calls) Called by h_psi: h_psi:vloc : 38.72s CPU 39.82s WALL ( 7736 calls) h_psi:vnl : 8.00s CPU 8.16s WALL ( 7736 calls) add_vuspsi : 3.89s CPU 3.99s WALL ( 7736 calls) General routines calbec : 4.09s CPU 4.14s WALL ( 7736 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 36.15s CPU 37.13s WALL ( 751848 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.22s WALL ( 786 calls) Parallel routines fft_scatter : 18.64s CPU 19.11s WALL ( 751871 calls) PWSCF : 2m 5.67s CPU 2m23.53s WALL This run was terminated on: 19:25:49 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=