Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:54:58 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: ./Ba3ZnN2O.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 42 24 7 2856 1250 197 Max 43 25 8 2865 1277 205 Sum 1541 885 261 103001 45545 7309 bravais-lattice index = 14 lattice parameter (alat) = 7.7252 a.u. unit-cell volume = 1045.6629 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 4 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.725200 celldm(2)= 1.000000 celldm(3)= 2.268102 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.268102 ) 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 0.440897 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Zn 12.00 65.40900 Zn( 1.00) N 5.00 14.00670 N( 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= 326 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0030675 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0030675 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0030675 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0030675 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0030675 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0030675 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0030675 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0030675 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0030675 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0030675 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0030675 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0030675 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0030675 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0030675 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0030675 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0030675 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0030675 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0030675 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0030675 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0030675 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0030675 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0030675 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0030675 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0030675 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0030675 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0030675 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0030675 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0030675 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0030675 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0030675 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0030675 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0030675 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0030675 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0030675 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0030675 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0030675 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0030675 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0030675 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030675 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030675 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0030675 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0030675 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0030675 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0030675 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0030675 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0030675 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0030675 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0030675 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0030675 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0030675 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0030675 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0030675 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0030675 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0030675 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0030675 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0030675 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0030675 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0030675 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0030675 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0030675 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0030675 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0030675 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0030675 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0030675 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0030675 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0030675 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0030675 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0030675 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0030675 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0030675 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0030675 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0030675 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0030675 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0030675 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0030675 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0030675 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0030675 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0030675 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030675 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030675 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0030675 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0030675 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0030675 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0030675 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0030675 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0030675 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0030675 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0030675 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0030675 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0030675 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0030675 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0030675 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0030675 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0030675 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0030675 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0030675 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0030675 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0030675 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0030675 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0030675 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0030675 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030675 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0030675 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0030675 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0030675 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0030675 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0030675 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0030675 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0030675 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0030675 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0030675 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0030675 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030675 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0030675 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0030675 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0030675 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0030675 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0030675 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0030675 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0030675 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0030675 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0030675 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0030675 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030675 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0030675 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0030675 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0030675 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0030675 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0030675 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0030675 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0030675 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0030675 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0030675 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0030675 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 138) = ( 0.0000000 0.0000000 0.0129676), wk = 0.0030675 k( 139) = ( 0.0000000 0.0000000 0.0259351), wk = 0.0030675 k( 140) = ( 0.0000000 0.0000000 0.0389027), wk = 0.0030675 k( 141) = ( 0.0000000 0.0000000 0.0518703), wk = 0.0030675 k( 142) = ( 0.0000000 0.0000000 0.0648378), wk = 0.0030675 k( 143) = ( 0.0000000 0.0000000 0.0778054), wk = 0.0030675 k( 144) = ( 0.0000000 0.0000000 0.0907730), wk = 0.0030675 k( 145) = ( 0.0000000 0.0000000 0.1037405), wk = 0.0030675 k( 146) = ( 0.0000000 0.0000000 0.1167081), wk = 0.0030675 k( 147) = ( 0.0000000 0.0000000 0.1296757), wk = 0.0030675 k( 148) = ( 0.0000000 0.0000000 0.1426433), wk = 0.0030675 k( 149) = ( 0.0000000 0.0000000 0.1556108), wk = 0.0030675 k( 150) = ( 0.0000000 0.0000000 0.1685784), wk = 0.0030675 k( 151) = ( 0.0000000 0.0000000 0.1815460), wk = 0.0030675 k( 152) = ( 0.0000000 0.0000000 0.1945135), wk = 0.0030675 k( 153) = ( 0.0000000 0.0000000 0.2074811), wk = 0.0030675 k( 154) = ( 0.0000000 0.0000000 0.2204487), wk = 0.0030675 k( 155) = ( 0.0000000 0.0000000 0.2204487), wk = 0.0030675 k( 156) = ( 0.0000000 0.0128205 0.2204487), wk = 0.0030675 k( 157) = ( 0.0000000 0.0256410 0.2204487), wk = 0.0030675 k( 158) = ( 0.0000000 0.0384615 0.2204487), wk = 0.0030675 k( 159) = ( 0.0000000 0.0512821 0.2204487), wk = 0.0030675 k( 160) = ( 0.0000000 0.0641026 0.2204487), wk = 0.0030675 k( 161) = ( 0.0000000 0.0769231 0.2204487), wk = 0.0030675 k( 162) = ( 0.0000000 0.0897436 0.2204487), wk = 0.0030675 k( 163) = ( 0.0000000 0.1025641 0.2204487), wk = 0.0030675 k( 164) = ( 0.0000000 0.1153846 0.2204487), wk = 0.0030675 k( 165) = ( 0.0000000 0.1282051 0.2204487), wk = 0.0030675 k( 166) = ( 0.0000000 0.1410256 0.2204487), wk = 0.0030675 k( 167) = ( 0.0000000 0.1538461 0.2204487), wk = 0.0030675 k( 168) = ( 0.0000000 0.1666667 0.2204487), wk = 0.0030675 k( 169) = ( 0.0000000 0.1794872 0.2204487), wk = 0.0030675 k( 170) = ( 0.0000000 0.1923077 0.2204487), wk = 0.0030675 k( 171) = ( 0.0000000 0.2051282 0.2204487), wk = 0.0030675 k( 172) = ( 0.0000000 0.2179487 0.2204487), wk = 0.0030675 k( 173) = ( 0.0000000 0.2307692 0.2204487), wk = 0.0030675 k( 174) = ( 0.0000000 0.2435897 0.2204487), wk = 0.0030675 k( 175) = ( 0.0000000 0.2564103 0.2204487), wk = 0.0030675 k( 176) = ( 0.0000000 0.2692308 0.2204487), wk = 0.0030675 k( 177) = ( 0.0000000 0.2820513 0.2204487), wk = 0.0030675 k( 178) = ( 0.0000000 0.2948718 0.2204487), wk = 0.0030675 k( 179) = ( 0.0000000 0.3076923 0.2204487), wk = 0.0030675 k( 180) = ( 0.0000000 0.3205128 0.2204487), wk = 0.0030675 k( 181) = ( 0.0000000 0.3333333 0.2204487), wk = 0.0030675 k( 182) = ( 0.0000000 0.3461538 0.2204487), wk = 0.0030675 k( 183) = ( 0.0000000 0.3589744 0.2204487), wk = 0.0030675 k( 184) = ( 0.0000000 0.3717949 0.2204487), wk = 0.0030675 k( 185) = ( 0.0000000 0.3846154 0.2204487), wk = 0.0030675 k( 186) = ( 0.0000000 0.3974359 0.2204487), wk = 0.0030675 k( 187) = ( 0.0000000 0.4102564 0.2204487), wk = 0.0030675 k( 188) = ( 0.0000000 0.4230769 0.2204487), wk = 0.0030675 k( 189) = ( 0.0000000 0.4358974 0.2204487), wk = 0.0030675 k( 190) = ( 0.0000000 0.4487179 0.2204487), wk = 0.0030675 k( 191) = ( 0.0000000 0.4615385 0.2204487), wk = 0.0030675 k( 192) = ( 0.0000000 0.4743590 0.2204487), wk = 0.0030675 k( 193) = ( 0.0000000 0.4871795 0.2204487), wk = 0.0030675 k( 194) = ( 0.0000000 0.5000000 0.2204487), wk = 0.0030675 k( 195) = ( 0.0000000 0.5000000 0.2204487), wk = 0.0030675 k( 196) = ( 0.0128205 0.5000000 0.2204487), wk = 0.0030675 k( 197) = ( 0.0256410 0.5000000 0.2204487), wk = 0.0030675 k( 198) = ( 0.0384615 0.5000000 0.2204487), wk = 0.0030675 k( 199) = ( 0.0512821 0.5000000 0.2204487), wk = 0.0030675 k( 200) = ( 0.0641026 0.5000000 0.2204487), wk = 0.0030675 k( 201) = ( 0.0769231 0.5000000 0.2204487), wk = 0.0030675 k( 202) = ( 0.0897436 0.5000000 0.2204487), wk = 0.0030675 k( 203) = ( 0.1025641 0.5000000 0.2204487), wk = 0.0030675 k( 204) = ( 0.1153846 0.5000000 0.2204487), wk = 0.0030675 k( 205) = ( 0.1282051 0.5000000 0.2204487), wk = 0.0030675 k( 206) = ( 0.1410256 0.5000000 0.2204487), wk = 0.0030675 k( 207) = ( 0.1538461 0.5000000 0.2204487), wk = 0.0030675 k( 208) = ( 0.1666667 0.5000000 0.2204487), wk = 0.0030675 k( 209) = ( 0.1794872 0.5000000 0.2204487), wk = 0.0030675 k( 210) = ( 0.1923077 0.5000000 0.2204487), wk = 0.0030675 k( 211) = ( 0.2051282 0.5000000 0.2204487), wk = 0.0030675 k( 212) = ( 0.2179487 0.5000000 0.2204487), wk = 0.0030675 k( 213) = ( 0.2307692 0.5000000 0.2204487), wk = 0.0030675 k( 214) = ( 0.2435897 0.5000000 0.2204487), wk = 0.0030675 k( 215) = ( 0.2564103 0.5000000 0.2204487), wk = 0.0030675 k( 216) = ( 0.2692308 0.5000000 0.2204487), wk = 0.0030675 k( 217) = ( 0.2820513 0.5000000 0.2204487), wk = 0.0030675 k( 218) = ( 0.2948718 0.5000000 0.2204487), wk = 0.0030675 k( 219) = ( 0.3076923 0.5000000 0.2204487), wk = 0.0030675 k( 220) = ( 0.3205128 0.5000000 0.2204487), wk = 0.0030675 k( 221) = ( 0.3333333 0.5000000 0.2204487), wk = 0.0030675 k( 222) = ( 0.3461538 0.5000000 0.2204487), wk = 0.0030675 k( 223) = ( 0.3589744 0.5000000 0.2204487), wk = 0.0030675 k( 224) = ( 0.3717949 0.5000000 0.2204487), wk = 0.0030675 k( 225) = ( 0.3846154 0.5000000 0.2204487), wk = 0.0030675 k( 226) = ( 0.3974359 0.5000000 0.2204487), wk = 0.0030675 k( 227) = ( 0.4102564 0.5000000 0.2204487), wk = 0.0030675 k( 228) = ( 0.4230769 0.5000000 0.2204487), wk = 0.0030675 k( 229) = ( 0.4358974 0.5000000 0.2204487), wk = 0.0030675 k( 230) = ( 0.4487179 0.5000000 0.2204487), wk = 0.0030675 k( 231) = ( 0.4615385 0.5000000 0.2204487), wk = 0.0030675 k( 232) = ( 0.4743590 0.5000000 0.2204487), wk = 0.0030675 k( 233) = ( 0.4871795 0.5000000 0.2204487), wk = 0.0030675 k( 234) = ( 0.5000000 0.5000000 0.2204487), wk = 0.0030675 k( 235) = ( 0.5000000 0.5000000 0.2204487), wk = 0.0030675 k( 236) = ( 0.4909091 0.4909091 0.2204487), wk = 0.0030675 k( 237) = ( 0.4818182 0.4818182 0.2204487), wk = 0.0030675 k( 238) = ( 0.4727273 0.4727273 0.2204487), wk = 0.0030675 k( 239) = ( 0.4636364 0.4636364 0.2204487), wk = 0.0030675 k( 240) = ( 0.4545455 0.4545454 0.2204487), wk = 0.0030675 k( 241) = ( 0.4454546 0.4454545 0.2204487), wk = 0.0030675 k( 242) = ( 0.4363636 0.4363636 0.2204487), wk = 0.0030675 k( 243) = ( 0.4272727 0.4272727 0.2204487), wk = 0.0030675 k( 244) = ( 0.4181818 0.4181818 0.2204487), wk = 0.0030675 k( 245) = ( 0.4090909 0.4090909 0.2204487), wk = 0.0030675 k( 246) = ( 0.4000000 0.4000000 0.2204487), wk = 0.0030675 k( 247) = ( 0.3909091 0.3909091 0.2204487), wk = 0.0030675 k( 248) = ( 0.3818182 0.3818182 0.2204487), wk = 0.0030675 k( 249) = ( 0.3727273 0.3727273 0.2204487), wk = 0.0030675 k( 250) = ( 0.3636364 0.3636364 0.2204487), wk = 0.0030675 k( 251) = ( 0.3545454 0.3545454 0.2204487), wk = 0.0030675 k( 252) = ( 0.3454546 0.3454545 0.2204487), wk = 0.0030675 k( 253) = ( 0.3363636 0.3363636 0.2204487), wk = 0.0030675 k( 254) = ( 0.3272727 0.3272727 0.2204487), wk = 0.0030675 k( 255) = ( 0.3181818 0.3181818 0.2204487), wk = 0.0030675 k( 256) = ( 0.3090909 0.3090909 0.2204487), wk = 0.0030675 k( 257) = ( 0.3000000 0.3000000 0.2204487), wk = 0.0030675 k( 258) = ( 0.2909091 0.2909091 0.2204487), wk = 0.0030675 k( 259) = ( 0.2818182 0.2818182 0.2204487), wk = 0.0030675 k( 260) = ( 0.2727273 0.2727273 0.2204487), wk = 0.0030675 k( 261) = ( 0.2636364 0.2636364 0.2204487), wk = 0.0030675 k( 262) = ( 0.2545455 0.2545455 0.2204487), wk = 0.0030675 k( 263) = ( 0.2454545 0.2454545 0.2204487), wk = 0.0030675 k( 264) = ( 0.2363636 0.2363636 0.2204487), wk = 0.0030675 k( 265) = ( 0.2272727 0.2272727 0.2204487), wk = 0.0030675 k( 266) = ( 0.2181818 0.2181818 0.2204487), wk = 0.0030675 k( 267) = ( 0.2090909 0.2090909 0.2204487), wk = 0.0030675 k( 268) = ( 0.2000000 0.2000000 0.2204487), wk = 0.0030675 k( 269) = ( 0.1909091 0.1909091 0.2204487), wk = 0.0030675 k( 270) = ( 0.1818182 0.1818182 0.2204487), wk = 0.0030675 k( 271) = ( 0.1727273 0.1727273 0.2204487), wk = 0.0030675 k( 272) = ( 0.1636364 0.1636364 0.2204487), wk = 0.0030675 k( 273) = ( 0.1545455 0.1545454 0.2204487), wk = 0.0030675 k( 274) = ( 0.1454545 0.1454545 0.2204487), wk = 0.0030675 k( 275) = ( 0.1363636 0.1363636 0.2204487), wk = 0.0030675 k( 276) = ( 0.1272727 0.1272727 0.2204487), wk = 0.0030675 k( 277) = ( 0.1181818 0.1181818 0.2204487), wk = 0.0030675 k( 278) = ( 0.1090909 0.1090909 0.2204487), wk = 0.0030675 k( 279) = ( 0.1000000 0.1000000 0.2204487), wk = 0.0030675 k( 280) = ( 0.0909091 0.0909091 0.2204487), wk = 0.0030675 k( 281) = ( 0.0818182 0.0818182 0.2204487), wk = 0.0030675 k( 282) = ( 0.0727273 0.0727273 0.2204487), wk = 0.0030675 k( 283) = ( 0.0636364 0.0636364 0.2204487), wk = 0.0030675 k( 284) = ( 0.0545455 0.0545454 0.2204487), wk = 0.0030675 k( 285) = ( 0.0454546 0.0454545 0.2204487), wk = 0.0030675 k( 286) = ( 0.0363636 0.0363636 0.2204487), wk = 0.0030675 k( 287) = ( 0.0272727 0.0272727 0.2204487), wk = 0.0030675 k( 288) = ( 0.0181818 0.0181818 0.2204487), wk = 0.0030675 k( 289) = ( 0.0090909 0.0090909 0.2204487), wk = 0.0030675 k( 290) = ( 0.0000000 0.0000000 0.2204487), wk = 0.0030675 k( 291) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030675 k( 292) = ( 0.0000000 0.5000000 0.0129676), wk = 0.0030675 k( 293) = ( 0.0000000 0.5000000 0.0259351), wk = 0.0030675 k( 294) = ( 0.0000000 0.5000000 0.0389027), wk = 0.0030675 k( 295) = ( 0.0000000 0.5000000 0.0518703), wk = 0.0030675 k( 296) = ( 0.0000000 0.5000000 0.0648378), wk = 0.0030675 k( 297) = ( 0.0000000 0.5000000 0.0778054), wk = 0.0030675 k( 298) = ( 0.0000000 0.5000000 0.0907730), wk = 0.0030675 k( 299) = ( 0.0000000 0.5000000 0.1037405), wk = 0.0030675 k( 300) = ( 0.0000000 0.5000000 0.1167081), wk = 0.0030675 k( 301) = ( 0.0000000 0.5000000 0.1296757), wk = 0.0030675 k( 302) = ( 0.0000000 0.5000000 0.1426433), wk = 0.0030675 k( 303) = ( 0.0000000 0.5000000 0.1556108), wk = 0.0030675 k( 304) = ( 0.0000000 0.5000000 0.1685784), wk = 0.0030675 k( 305) = ( 0.0000000 0.5000000 0.1815460), wk = 0.0030675 k( 306) = ( 0.0000000 0.5000000 0.1945135), wk = 0.0030675 k( 307) = ( 0.0000000 0.5000000 0.2074811), wk = 0.0030675 k( 308) = ( 0.0000000 0.5000000 0.2204487), wk = 0.0030675 k( 309) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030675 k( 310) = ( 0.5000000 0.5000000 0.0129676), wk = 0.0030675 k( 311) = ( 0.5000000 0.5000000 0.0259351), wk = 0.0030675 k( 312) = ( 0.5000000 0.5000000 0.0389027), wk = 0.0030675 k( 313) = ( 0.5000000 0.5000000 0.0518703), wk = 0.0030675 k( 314) = ( 0.5000000 0.5000000 0.0648378), wk = 0.0030675 k( 315) = ( 0.5000000 0.5000000 0.0778054), wk = 0.0030675 k( 316) = ( 0.5000000 0.5000000 0.0907730), wk = 0.0030675 k( 317) = ( 0.5000000 0.5000000 0.1037405), wk = 0.0030675 k( 318) = ( 0.5000000 0.5000000 0.1167081), wk = 0.0030675 k( 319) = ( 0.5000000 0.5000000 0.1296757), wk = 0.0030675 k( 320) = ( 0.5000000 0.5000000 0.1426433), wk = 0.0030675 k( 321) = ( 0.5000000 0.5000000 0.1556108), wk = 0.0030675 k( 322) = ( 0.5000000 0.5000000 0.1685784), wk = 0.0030675 k( 323) = ( 0.5000000 0.5000000 0.1815460), wk = 0.0030675 k( 324) = ( 0.5000000 0.5000000 0.1945135), wk = 0.0030675 k( 325) = ( 0.5000000 0.5000000 0.2074811), wk = 0.0030675 k( 326) = ( 0.5000000 0.5000000 0.2204487), wk = 0.0030675 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0030675 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0030675 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0030675 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0030675 k( 6) = ( 0.0000000 0.0641026 0.0000000), wk = 0.0030675 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0030675 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0030675 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0030675 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0030675 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0030675 k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0030675 k( 13) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0030675 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0030675 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0030675 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0030675 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0030675 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0030675 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0030675 k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0030675 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0030675 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0030675 k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0030675 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0030675 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0030675 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0030675 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0030675 k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0030675 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0030675 k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0030675 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0030675 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0030675 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0030675 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0030675 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0030675 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0030675 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0030675 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0030675 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0030675 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030675 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030675 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0030675 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0030675 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0030675 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0030675 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0030675 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0030675 k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0030675 k( 49) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0030675 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0030675 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0030675 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0030675 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0030675 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0030675 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0030675 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0030675 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0030675 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0030675 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0030675 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0030675 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0030675 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0030675 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0030675 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0030675 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0030675 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0030675 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0030675 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0030675 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0030675 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0030675 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0030675 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0030675 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0030675 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0030675 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0030675 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0030675 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0030675 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0030675 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0030675 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030675 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030675 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0030675 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0030675 k( 84) = ( 0.4727273 0.4727273 0.0000000), wk = 0.0030675 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0030675 k( 86) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0030675 k( 87) = ( 0.4454546 0.4454546 0.0000000), wk = 0.0030675 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0030675 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0030675 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0030675 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0030675 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0030675 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0030675 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0030675 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0030675 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0030675 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0030675 k( 98) = ( 0.3454546 0.3454546 -0.0000000), wk = 0.0030675 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0030675 k( 100) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0030675 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0030675 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0030675 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030675 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0030675 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0030675 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0030675 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0030675 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0030675 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0030675 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0030675 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0030675 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0030675 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0030675 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030675 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0030675 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0030675 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0030675 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0030675 k( 119) = ( 0.1545455 0.1545455 0.0000000), wk = 0.0030675 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0030675 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0030675 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0030675 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0030675 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0030675 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030675 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0030675 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0030675 k( 128) = ( 0.0727273 0.0727273 0.0000000), wk = 0.0030675 k( 129) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0030675 k( 130) = ( 0.0545455 0.0545455 -0.0000000), wk = 0.0030675 k( 131) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0030675 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0030675 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0030675 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0030675 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0030675 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 138) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0030675 k( 139) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0030675 k( 140) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0030675 k( 141) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0030675 k( 142) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0030675 k( 143) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0030675 k( 144) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0030675 k( 145) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0030675 k( 146) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0030675 k( 147) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0030675 k( 148) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0030675 k( 149) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0030675 k( 150) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0030675 k( 151) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0030675 k( 152) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0030675 k( 153) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0030675 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 156) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0030675 k( 157) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0030675 k( 158) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0030675 k( 159) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0030675 k( 160) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0030675 k( 161) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0030675 k( 162) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0030675 k( 163) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0030675 k( 164) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0030675 k( 165) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0030675 k( 166) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0030675 k( 167) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0030675 k( 168) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0030675 k( 169) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0030675 k( 170) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0030675 k( 171) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0030675 k( 172) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0030675 k( 173) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0030675 k( 174) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0030675 k( 175) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0030675 k( 176) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0030675 k( 177) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0030675 k( 178) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0030675 k( 179) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0030675 k( 180) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0030675 k( 181) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0030675 k( 182) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0030675 k( 183) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0030675 k( 184) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0030675 k( 185) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0030675 k( 186) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0030675 k( 187) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0030675 k( 188) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0030675 k( 189) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0030675 k( 190) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0030675 k( 191) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0030675 k( 192) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0030675 k( 193) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0030675 k( 194) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030675 k( 195) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030675 k( 196) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0030675 k( 197) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0030675 k( 198) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0030675 k( 199) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0030675 k( 200) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0030675 k( 201) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0030675 k( 202) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0030675 k( 203) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0030675 k( 204) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0030675 k( 205) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0030675 k( 206) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0030675 k( 207) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0030675 k( 208) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0030675 k( 209) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0030675 k( 210) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0030675 k( 211) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0030675 k( 212) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0030675 k( 213) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0030675 k( 214) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0030675 k( 215) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0030675 k( 216) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0030675 k( 217) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0030675 k( 218) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0030675 k( 219) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0030675 k( 220) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0030675 k( 221) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0030675 k( 222) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0030675 k( 223) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0030675 k( 224) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0030675 k( 225) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0030675 k( 226) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0030675 k( 227) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0030675 k( 228) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0030675 k( 229) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0030675 k( 230) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0030675 k( 231) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0030675 k( 232) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0030675 k( 233) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0030675 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030675 k( 235) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030675 k( 236) = ( 0.4909091 0.4909091 0.5000000), wk = 0.0030675 k( 237) = ( 0.4818182 0.4818182 0.5000000), wk = 0.0030675 k( 238) = ( 0.4727273 0.4727273 0.5000000), wk = 0.0030675 k( 239) = ( 0.4636364 0.4636364 0.5000000), wk = 0.0030675 k( 240) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0030675 k( 241) = ( 0.4454546 0.4454546 0.5000000), wk = 0.0030675 k( 242) = ( 0.4363636 0.4363636 0.5000000), wk = 0.0030675 k( 243) = ( 0.4272727 0.4272727 0.5000000), wk = 0.0030675 k( 244) = ( 0.4181818 0.4181818 0.5000000), wk = 0.0030675 k( 245) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0030675 k( 246) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0030675 k( 247) = ( 0.3909091 0.3909091 0.5000000), wk = 0.0030675 k( 248) = ( 0.3818182 0.3818182 0.5000000), wk = 0.0030675 k( 249) = ( 0.3727273 0.3727273 0.5000000), wk = 0.0030675 k( 250) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0030675 k( 251) = ( 0.3545454 0.3545454 0.5000000), wk = 0.0030675 k( 252) = ( 0.3454546 0.3454546 0.5000000), wk = 0.0030675 k( 253) = ( 0.3363636 0.3363636 0.5000000), wk = 0.0030675 k( 254) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0030675 k( 255) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0030675 k( 256) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0030675 k( 257) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0030675 k( 258) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0030675 k( 259) = ( 0.2818182 0.2818182 0.5000000), wk = 0.0030675 k( 260) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0030675 k( 261) = ( 0.2636364 0.2636364 0.5000000), wk = 0.0030675 k( 262) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0030675 k( 263) = ( 0.2454545 0.2454545 0.5000000), wk = 0.0030675 k( 264) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0030675 k( 265) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0030675 k( 266) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0030675 k( 267) = ( 0.2090909 0.2090909 0.5000000), wk = 0.0030675 k( 268) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0030675 k( 269) = ( 0.1909091 0.1909091 0.5000000), wk = 0.0030675 k( 270) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0030675 k( 271) = ( 0.1727273 0.1727273 0.5000000), wk = 0.0030675 k( 272) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0030675 k( 273) = ( 0.1545455 0.1545455 0.5000000), wk = 0.0030675 k( 274) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0030675 k( 275) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0030675 k( 276) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0030675 k( 277) = ( 0.1181818 0.1181818 0.5000000), wk = 0.0030675 k( 278) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0030675 k( 279) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0030675 k( 280) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0030675 k( 281) = ( 0.0818182 0.0818182 0.5000000), wk = 0.0030675 k( 282) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0030675 k( 283) = ( 0.0636364 0.0636364 0.5000000), wk = 0.0030675 k( 284) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0030675 k( 285) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0030675 k( 286) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0030675 k( 287) = ( 0.0272727 0.0272727 0.5000000), wk = 0.0030675 k( 288) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0030675 k( 289) = ( 0.0090909 0.0090909 0.5000000), wk = 0.0030675 k( 290) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 291) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030675 k( 292) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0030675 k( 293) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0030675 k( 294) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0030675 k( 295) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0030675 k( 296) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0030675 k( 297) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0030675 k( 298) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0030675 k( 299) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0030675 k( 300) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0030675 k( 301) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0030675 k( 302) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0030675 k( 303) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0030675 k( 304) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0030675 k( 305) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0030675 k( 306) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0030675 k( 307) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0030675 k( 308) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030675 k( 309) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030675 k( 310) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0030675 k( 311) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0030675 k( 312) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0030675 k( 313) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0030675 k( 314) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0030675 k( 315) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0030675 k( 316) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0030675 k( 317) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0030675 k( 318) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0030675 k( 319) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0030675 k( 320) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0030675 k( 321) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0030675 k( 322) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0030675 k( 323) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0030675 k( 324) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0030675 k( 325) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0030675 k( 326) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030675 Dense grid: 103001 G-vectors FFT dimensions: ( 45, 45, 108) Smooth grid: 45545 G-vectors FFT dimensions: ( 36, 36, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 334, 70) NL pseudopotentials 0.46 Mb ( 167, 181) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2860) G-vector shells 0.01 Mb ( 1330) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.43 Mb ( 334, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.39 Mb ( 181, 2, 70) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ba3ZnN2O.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 8.8 secs Computing kpt #: 5 total cpu time spent up to now is 10.1 secs Computing kpt #: 6 total cpu time spent up to now is 11.3 secs Computing kpt #: 7 total cpu time spent up to now is 12.6 secs Computing kpt #: 8 total cpu time spent up to now is 13.8 secs Computing kpt #: 9 total cpu time spent up to now is 15.1 secs Computing kpt #: 10 total cpu time spent up to now is 16.3 secs Computing kpt #: 11 total cpu time spent up to now is 17.6 secs Computing kpt #: 12 total cpu time spent up to now is 19.1 secs Computing kpt #: 13 total cpu time spent up to now is 20.6 secs Computing kpt #: 14 total cpu time spent up to now is 21.9 secs Computing kpt #: 15 total cpu time spent up to now is 23.1 secs Computing kpt #: 16 total cpu time spent up to now is 24.2 secs Computing kpt #: 17 total cpu time spent up to now is 25.3 secs Computing kpt #: 18 total cpu time spent up to now is 26.2 secs Computing kpt #: 19 total cpu time spent up to now is 27.3 secs Computing kpt #: 20 total cpu time spent up to now is 28.3 secs Computing kpt #: 21 total cpu time spent up to now is 29.4 secs Computing kpt #: 22 total cpu time spent up to now is 30.4 secs Computing kpt #: 23 total cpu time spent up to now is 31.3 secs Computing kpt #: 24 total cpu time spent up to now is 32.6 secs Computing kpt #: 25 total cpu time spent up to now is 33.5 secs Computing kpt #: 26 total cpu time spent up to now is 34.5 secs Computing kpt #: 27 total cpu time spent up to now is 35.4 secs Computing kpt #: 28 total cpu time spent up to now is 36.2 secs Computing kpt #: 29 total cpu time spent up to now is 37.0 secs Computing kpt #: 30 total cpu time spent up to now is 37.9 secs Computing kpt #: 31 total cpu time spent up to now is 38.8 secs Computing kpt #: 32 total cpu time spent up to now is 39.7 secs Computing kpt #: 33 total cpu time spent up to now is 40.8 secs Computing kpt #: 34 total cpu time spent up to now is 41.9 secs Computing kpt #: 35 total cpu time spent up to now is 42.9 secs Computing kpt #: 36 total cpu time spent up to now is 44.2 secs Computing kpt #: 37 total cpu time spent up to now is 45.2 secs Computing kpt #: 38 total cpu time spent up to now is 46.3 secs Computing kpt #: 39 total cpu time spent up to now is 47.3 secs Computing kpt #: 40 total cpu time spent up to now is 48.3 secs Computing kpt #: 41 total cpu time spent up to now is 49.3 secs Computing kpt #: 42 total cpu time spent up to now is 50.3 secs Computing kpt #: 43 total cpu time spent up to now is 51.1 secs Computing kpt #: 44 total cpu time spent up to now is 52.0 secs Computing kpt #: 45 total cpu time spent up to now is 52.8 secs Computing kpt #: 46 total cpu time spent up to now is 53.6 secs Computing kpt #: 47 total cpu time spent up to now is 54.4 secs Computing kpt #: 48 total cpu time spent up to now is 55.2 secs Computing kpt #: 49 total cpu time spent up to now is 56.1 secs Computing kpt #: 50 total cpu time spent up to now is 56.8 secs Computing kpt #: 51 total cpu time spent up to now is 57.6 secs Computing kpt #: 52 total cpu time spent up to now is 58.4 secs Computing kpt #: 53 total cpu time spent up to now is 59.1 secs Computing kpt #: 54 total cpu time spent up to now is 59.9 secs Computing kpt #: 55 total cpu time spent up to now is 60.6 secs Computing kpt #: 56 total cpu time spent up to now is 61.4 secs Computing kpt #: 57 total cpu time spent up to now is 62.1 secs Computing kpt #: 58 total cpu time spent up to now is 62.9 secs Computing kpt #: 59 total cpu time spent up to now is 63.7 secs Computing kpt #: 60 total cpu time spent up to now is 64.4 secs Computing kpt #: 61 total cpu time spent up to now is 65.2 secs Computing kpt #: 62 total cpu time spent up to now is 65.9 secs Computing kpt #: 63 total cpu time spent up to now is 66.6 secs Computing kpt #: 64 total cpu time spent up to now is 67.4 secs Computing kpt #: 65 total cpu time spent up to now is 68.1 secs Computing kpt #: 66 total cpu time spent up to now is 68.8 secs Computing kpt #: 67 total cpu time spent up to now is 69.5 secs Computing kpt #: 68 total cpu time spent up to now is 70.3 secs Computing kpt #: 69 total cpu time spent up to now is 71.0 secs Computing kpt #: 70 total cpu time spent up to now is 71.7 secs Computing kpt #: 71 total cpu time spent up to now is 72.4 secs Computing kpt #: 72 total cpu time spent up to now is 73.2 secs Computing kpt #: 73 total cpu time spent up to now is 73.9 secs Computing kpt #: 74 total cpu time spent up to now is 74.6 secs Computing kpt #: 75 total cpu time spent up to now is 76.7 secs Computing kpt #: 76 total cpu time spent up to now is 77.4 secs Computing kpt #: 77 total cpu time spent up to now is 78.1 secs Computing kpt #: 78 total cpu time spent up to now is 78.8 secs Computing kpt #: 79 total cpu time spent up to now is 79.6 secs Computing kpt #: 80 total cpu time spent up to now is 80.3 secs Computing kpt #: 81 total cpu time spent up to now is 81.0 secs Computing kpt #: 82 total cpu time spent up to now is 81.7 secs Computing kpt #: 83 total cpu time spent up to now is 82.4 secs Computing kpt #: 84 total cpu time spent up to now is 83.2 secs Computing kpt #: 85 total cpu time spent up to now is 83.9 secs Computing kpt #: 86 total cpu time spent up to now is 84.6 secs Computing kpt #: 87 total cpu time spent up to now is 85.3 secs Computing kpt #: 88 total cpu time spent up to now is 86.0 secs Computing kpt #: 89 total cpu time spent up to now is 86.8 secs Computing kpt #: 90 total cpu time spent up to now is 87.5 secs Computing kpt #: 91 total cpu time spent up to now is 88.2 secs Computing kpt #: 92 total cpu time spent up to now is 88.9 secs Computing kpt #: 93 total cpu time spent up to now is 89.7 secs Computing kpt #: 94 total cpu time spent up to now is 90.4 secs Computing kpt #: 95 total cpu time spent up to now is 91.2 secs Computing kpt #: 96 total cpu time spent up to now is 91.9 secs Computing kpt #: 97 total cpu time spent up to now is 92.7 secs Computing kpt #: 98 total cpu time spent up to now is 93.5 secs Computing kpt #: 99 total cpu time spent up to now is 94.3 secs Computing kpt #: 100 total cpu time spent up to now is 95.1 secs Computing kpt #: 101 total cpu time spent up to now is 95.9 secs Computing kpt #: 102 total cpu time spent up to now is 96.7 secs Computing kpt #: 103 total cpu time spent up to now is 97.5 secs Computing kpt #: 104 total cpu time spent up to now is 98.4 secs Computing kpt #: 105 total cpu time spent up to now is 99.3 secs Computing kpt #: 106 total cpu time spent up to now is 100.2 secs Computing kpt #: 107 total cpu time spent up to now is 101.3 secs Computing kpt #: 108 total cpu time spent up to now is 102.3 secs Computing kpt #: 109 total cpu time spent up to now is 103.1 secs Computing kpt #: 110 total cpu time spent up to now is 103.8 secs Computing kpt #: 111 total cpu time spent up to now is 104.6 secs Computing kpt #: 112 total cpu time spent up to now is 106.1 secs Computing kpt #: 113 total cpu time spent up to now is 107.4 secs Computing kpt #: 114 total cpu time spent up to now is 108.5 secs Computing kpt #: 115 total cpu time spent up to now is 109.5 secs Computing kpt #: 116 total cpu time spent up to now is 110.5 secs Computing kpt #: 117 total cpu time spent up to now is 111.6 secs Computing kpt #: 118 total cpu time spent up to now is 112.6 secs Computing kpt #: 119 total cpu time spent up to now is 113.6 secs Computing kpt #: 120 total cpu time spent up to now is 114.6 secs Computing kpt #: 121 total cpu time spent up to now is 115.5 secs Computing kpt #: 122 total cpu time spent up to now is 116.5 secs Computing kpt #: 123 total cpu time spent up to now is 117.5 secs Computing kpt #: 124 total cpu time spent up to now is 118.6 secs Computing kpt #: 125 total cpu time spent up to now is 119.8 secs Computing kpt #: 126 total cpu time spent up to now is 121.1 secs Computing kpt #: 127 total cpu time spent up to now is 122.6 secs Computing kpt #: 128 total cpu time spent up to now is 123.8 secs Computing kpt #: 129 total cpu time spent up to now is 125.0 secs Computing kpt #: 130 total cpu time spent up to now is 126.3 secs Computing kpt #: 131 total cpu time spent up to now is 127.8 secs Computing kpt #: 132 total cpu time spent up to now is 129.4 secs Computing kpt #: 133 total cpu time spent up to now is 130.9 secs Computing kpt #: 134 total cpu time spent up to now is 132.2 secs Computing kpt #: 135 total cpu time spent up to now is 133.3 secs Computing kpt #: 136 total cpu time spent up to now is 134.1 secs Computing kpt #: 137 total cpu time spent up to now is 135.3 secs Computing kpt #: 138 total cpu time spent up to now is 136.6 secs Computing kpt #: 139 total cpu time spent up to now is 137.8 secs Computing kpt #: 140 total cpu time spent up to now is 138.8 secs Computing kpt #: 141 total cpu time spent up to now is 139.9 secs Computing kpt #: 142 total cpu time spent up to now is 140.9 secs Computing kpt #: 143 total cpu time spent up to now is 141.9 secs Computing kpt #: 144 total cpu time spent up to now is 142.9 secs Computing kpt #: 145 total cpu time spent up to now is 144.0 secs Computing kpt #: 146 total cpu time spent up to now is 145.0 secs Computing kpt #: 147 total cpu time spent up to now is 145.9 secs Computing kpt #: 148 total cpu time spent up to now is 146.7 secs Computing kpt #: 149 total cpu time spent up to now is 147.5 secs Computing kpt #: 150 total cpu time spent up to now is 148.3 secs Computing kpt #: 151 total cpu time spent up to now is 149.1 secs Computing kpt #: 152 total cpu time spent up to now is 149.9 secs Computing kpt #: 153 total cpu time spent up to now is 150.6 secs Computing kpt #: 154 total cpu time spent up to now is 151.5 secs Computing kpt #: 155 total cpu time spent up to now is 152.2 secs Computing kpt #: 156 total cpu time spent up to now is 153.1 secs Computing kpt #: 157 total cpu time spent up to now is 153.9 secs Computing kpt #: 158 total cpu time spent up to now is 154.7 secs Computing kpt #: 159 total cpu time spent up to now is 155.5 secs Computing kpt #: 160 total cpu time spent up to now is 156.3 secs Computing kpt #: 161 total cpu time spent up to now is 157.1 secs Computing kpt #: 162 total cpu time spent up to now is 157.9 secs Computing kpt #: 163 total cpu time spent up to now is 158.6 secs Computing kpt #: 164 total cpu time spent up to now is 159.4 secs Computing kpt #: 165 total cpu time spent up to now is 160.1 secs Computing kpt #: 166 total cpu time spent up to now is 160.9 secs Computing kpt #: 167 total cpu time spent up to now is 161.6 secs Computing kpt #: 168 total cpu time spent up to now is 162.4 secs Computing kpt #: 169 total cpu time spent up to now is 163.1 secs Computing kpt #: 170 total cpu time spent up to now is 163.9 secs Computing kpt #: 171 total cpu time spent up to now is 164.7 secs Computing kpt #: 172 total cpu time spent up to now is 165.4 secs Computing kpt #: 173 total cpu time spent up to now is 166.2 secs Computing kpt #: 174 total cpu time spent up to now is 167.0 secs Computing kpt #: 175 total cpu time spent up to now is 167.7 secs Computing kpt #: 176 total cpu time spent up to now is 168.5 secs Computing kpt #: 177 total cpu time spent up to now is 169.4 secs Computing kpt #: 178 total cpu time spent up to now is 170.1 secs Computing kpt #: 179 total cpu time spent up to now is 170.9 secs Computing kpt #: 180 total cpu time spent up to now is 171.7 secs Computing kpt #: 181 total cpu time spent up to now is 172.4 secs Computing kpt #: 182 total cpu time spent up to now is 173.2 secs Computing kpt #: 183 total cpu time spent up to now is 174.0 secs Computing kpt #: 184 total cpu time spent up to now is 174.7 secs Computing kpt #: 185 total cpu time spent up to now is 175.7 secs Computing kpt #: 186 total cpu time spent up to now is 176.7 secs Computing kpt #: 187 total cpu time spent up to now is 177.7 secs Computing kpt #: 188 total cpu time spent up to now is 178.5 secs Computing kpt #: 189 total cpu time spent up to now is 179.3 secs Computing kpt #: 190 total cpu time spent up to now is 180.1 secs Computing kpt #: 191 total cpu time spent up to now is 181.0 secs Computing kpt #: 192 total cpu time spent up to now is 181.9 secs Computing kpt #: 193 total cpu time spent up to now is 182.7 secs Computing kpt #: 194 total cpu time spent up to now is 183.5 secs Computing kpt #: 195 total cpu time spent up to now is 184.3 secs Computing kpt #: 196 total cpu time spent up to now is 185.2 secs Computing kpt #: 197 total cpu time spent up to now is 186.0 secs Computing kpt #: 198 total cpu time spent up to now is 186.9 secs Computing kpt #: 199 total cpu time spent up to now is 187.8 secs Computing kpt #: 200 total cpu time spent up to now is 188.7 secs Computing kpt #: 201 total cpu time spent up to now is 189.7 secs Computing kpt #: 202 total cpu time spent up to now is 190.6 secs Computing kpt #: 203 total cpu time spent up to now is 191.5 secs Computing kpt #: 204 total cpu time spent up to now is 192.4 secs Computing kpt #: 205 total cpu time spent up to now is 193.4 secs Computing kpt #: 206 total cpu time spent up to now is 194.3 secs Computing kpt #: 207 total cpu time spent up to now is 195.2 secs Computing kpt #: 208 total cpu time spent up to now is 196.0 secs Computing kpt #: 209 total cpu time spent up to now is 196.9 secs Computing kpt #: 210 total cpu time spent up to now is 197.7 secs Computing kpt #: 211 total cpu time spent up to now is 198.6 secs Computing kpt #: 212 total cpu time spent up to now is 199.4 secs Computing kpt #: 213 total cpu time spent up to now is 200.2 secs Computing kpt #: 214 total cpu time spent up to now is 201.1 secs Computing kpt #: 215 total cpu time spent up to now is 201.9 secs Computing kpt #: 216 total cpu time spent up to now is 202.7 secs Computing kpt #: 217 total cpu time spent up to now is 203.6 secs Computing kpt #: 218 total cpu time spent up to now is 204.4 secs Computing kpt #: 219 total cpu time spent up to now is 205.2 secs Computing kpt #: 220 total cpu time spent up to now is 206.0 secs Computing kpt #: 221 total cpu time spent up to now is 206.8 secs Computing kpt #: 222 total cpu time spent up to now is 207.6 secs Computing kpt #: 223 total cpu time spent up to now is 208.5 secs Computing kpt #: 224 total cpu time spent up to now is 209.3 secs Computing kpt #: 225 total cpu time spent up to now is 210.1 secs Computing kpt #: 226 total cpu time spent up to now is 211.0 secs Computing kpt #: 227 total cpu time spent up to now is 211.8 secs Computing kpt #: 228 total cpu time spent up to now is 212.6 secs Computing kpt #: 229 total cpu time spent up to now is 213.5 secs Computing kpt #: 230 total cpu time spent up to now is 214.3 secs Computing kpt #: 231 total cpu time spent up to now is 215.1 secs Computing kpt #: 232 total cpu time spent up to now is 216.0 secs Computing kpt #: 233 total cpu time spent up to now is 216.8 secs Computing kpt #: 234 total cpu time spent up to now is 217.7 secs Computing kpt #: 235 total cpu time spent up to now is 218.5 secs Computing kpt #: 236 total cpu time spent up to now is 219.4 secs Computing kpt #: 237 total cpu time spent up to now is 220.2 secs Computing kpt #: 238 total cpu time spent up to now is 221.1 secs Computing kpt #: 239 total cpu time spent up to now is 221.9 secs Computing kpt #: 240 total cpu time spent up to now is 222.8 secs Computing kpt #: 241 total cpu time spent up to now is 223.7 secs Computing kpt #: 242 total cpu time spent up to now is 224.5 secs Computing kpt #: 243 total cpu time spent up to now is 225.4 secs Computing kpt #: 244 total cpu time spent up to now is 226.2 secs Computing kpt #: 245 total cpu time spent up to now is 227.0 secs Computing kpt #: 246 total cpu time spent up to now is 227.9 secs Computing kpt #: 247 total cpu time spent up to now is 228.7 secs Computing kpt #: 248 total cpu time spent up to now is 229.5 secs Computing kpt #: 249 total cpu time spent up to now is 230.3 secs Computing kpt #: 250 total cpu time spent up to now is 231.2 secs Computing kpt #: 251 total cpu time spent up to now is 232.1 secs Computing kpt #: 252 total cpu time spent up to now is 232.9 secs Computing kpt #: 253 total cpu time spent up to now is 233.7 secs Computing kpt #: 254 total cpu time spent up to now is 234.5 secs Computing kpt #: 255 total cpu time spent up to now is 235.3 secs Computing kpt #: 256 total cpu time spent up to now is 236.1 secs Computing kpt #: 257 total cpu time spent up to now is 236.9 secs Computing kpt #: 258 total cpu time spent up to now is 237.7 secs Computing kpt #: 259 total cpu time spent up to now is 238.5 secs Computing kpt #: 260 total cpu time spent up to now is 239.3 secs Computing kpt #: 261 total cpu time spent up to now is 240.1 secs Computing kpt #: 262 total cpu time spent up to now is 240.9 secs Computing kpt #: 263 total cpu time spent up to now is 241.7 secs Computing kpt #: 264 total cpu time spent up to now is 242.5 secs Computing kpt #: 265 total cpu time spent up to now is 243.2 secs Computing kpt #: 266 total cpu time spent up to now is 244.0 secs Computing kpt #: 267 total cpu time spent up to now is 244.8 secs Computing kpt #: 268 total cpu time spent up to now is 245.6 secs Computing kpt #: 269 total cpu time spent up to now is 246.3 secs Computing kpt #: 270 total cpu time spent up to now is 247.1 secs Computing kpt #: 271 total cpu time spent up to now is 247.8 secs Computing kpt #: 272 total cpu time spent up to now is 248.6 secs Computing kpt #: 273 total cpu time spent up to now is 249.3 secs Computing kpt #: 274 total cpu time spent up to now is 250.1 secs Computing kpt #: 275 total cpu time spent up to now is 250.8 secs Computing kpt #: 276 total cpu time spent up to now is 251.6 secs Computing kpt #: 277 total cpu time spent up to now is 252.4 secs Computing kpt #: 278 total cpu time spent up to now is 253.1 secs Computing kpt #: 279 total cpu time spent up to now is 253.8 secs Computing kpt #: 280 total cpu time spent up to now is 254.7 secs Computing kpt #: 281 total cpu time spent up to now is 255.4 secs Computing kpt #: 282 total cpu time spent up to now is 256.2 secs Computing kpt #: 283 total cpu time spent up to now is 256.9 secs Computing kpt #: 284 total cpu time spent up to now is 257.7 secs Computing kpt #: 285 total cpu time spent up to now is 258.5 secs Computing kpt #: 286 total cpu time spent up to now is 259.2 secs Computing kpt #: 287 total cpu time spent up to now is 260.0 secs Computing kpt #: 288 total cpu time spent up to now is 260.8 secs Computing kpt #: 289 total cpu time spent up to now is 261.5 secs Computing kpt #: 290 total cpu time spent up to now is 262.3 secs Computing kpt #: 291 total cpu time spent up to now is 263.4 secs Computing kpt #: 292 total cpu time spent up to now is 264.4 secs Computing kpt #: 293 total cpu time spent up to now is 265.4 secs Computing kpt #: 294 total cpu time spent up to now is 266.4 secs Computing kpt #: 295 total cpu time spent up to now is 267.5 secs Computing kpt #: 296 total cpu time spent up to now is 268.5 secs Computing kpt #: 297 total cpu time spent up to now is 269.6 secs Computing kpt #: 298 total cpu time spent up to now is 270.6 secs Computing kpt #: 299 total cpu time spent up to now is 271.6 secs Computing kpt #: 300 total cpu time spent up to now is 272.6 secs Computing kpt #: 301 total cpu time spent up to now is 273.6 secs Computing kpt #: 302 total cpu time spent up to now is 274.4 secs Computing kpt #: 303 total cpu time spent up to now is 275.2 secs Computing kpt #: 304 total cpu time spent up to now is 276.1 secs Computing kpt #: 305 total cpu time spent up to now is 277.0 secs Computing kpt #: 306 total cpu time spent up to now is 277.9 secs Computing kpt #: 307 total cpu time spent up to now is 278.8 secs Computing kpt #: 308 total cpu time spent up to now is 279.6 secs Computing kpt #: 309 total cpu time spent up to now is 280.4 secs Computing kpt #: 310 total cpu time spent up to now is 281.1 secs Computing kpt #: 311 total cpu time spent up to now is 281.8 secs Computing kpt #: 312 total cpu time spent up to now is 282.6 secs Computing kpt #: 313 total cpu time spent up to now is 283.3 secs Computing kpt #: 314 total cpu time spent up to now is 284.0 secs Computing kpt #: 315 total cpu time spent up to now is 284.7 secs Computing kpt #: 316 total cpu time spent up to now is 285.5 secs Computing kpt #: 317 total cpu time spent up to now is 286.2 secs Computing kpt #: 318 total cpu time spent up to now is 287.0 secs Computing kpt #: 319 total cpu time spent up to now is 287.7 secs Computing kpt #: 320 total cpu time spent up to now is 288.5 secs Computing kpt #: 321 total cpu time spent up to now is 289.3 secs Computing kpt #: 322 total cpu time spent up to now is 290.3 secs Computing kpt #: 323 total cpu time spent up to now is 291.2 secs Computing kpt #: 324 total cpu time spent up to now is 292.2 secs Computing kpt #: 325 total cpu time spent up to now is 293.0 secs Computing kpt #: 326 total cpu time spent up to now is 293.9 secs ethr = 1.72E-08, avg # of iterations = 22.9 total cpu time spent up to now is 293.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5691 PWs) bands (ev): -18.2899 -18.2899 -17.8012 -17.8012 -17.7969 -17.7969 -7.8503 -7.8503 -5.0615 -5.0615 -4.3650 -4.3650 -4.3340 -4.3340 -3.7479 -3.7479 -3.6051 -3.6051 -2.8517 -2.8517 -2.7727 -2.7727 -2.4802 -2.4802 -2.2092 -2.2092 -2.1302 -2.1302 -1.8902 -1.8902 2.1188 2.1188 2.1279 2.1279 2.4414 2.4414 2.4593 2.4593 2.4857 2.4857 5.2746 5.2746 6.7390 6.7390 6.9253 6.9253 7.0199 7.0199 7.8368 7.8368 8.3817 8.3817 8.4947 8.4947 8.9326 8.9326 9.0331 9.0331 9.8347 9.8347 10.1179 10.1179 11.1409 11.1409 11.8570 11.8570 12.1259 12.1259 12.6335 12.6335 k = 0.0000 0.0128-0.0000 ( 5693 PWs) bands (ev): -18.2898 -18.2898 -17.8011 -17.8011 -17.7968 -17.7968 -7.8508 -7.8508 -5.0616 -5.0616 -4.3698 -4.3698 -4.3309 -4.3309 -3.7488 -3.7488 -3.6052 -3.6052 -2.8513 -2.8513 -2.7725 -2.7725 -2.4800 -2.4800 -2.2087 -2.2087 -2.1295 -2.1295 -1.8893 -1.8893 2.1188 2.1188 2.1279 2.1279 2.4415 2.4415 2.4593 2.4593 2.4857 2.4857 5.2745 5.2745 6.7389 6.7389 6.9234 6.9234 7.0178 7.0178 7.8364 7.8364 8.3783 8.3783 8.4910 8.4910 8.9295 8.9295 9.0298 9.0298 9.8389 9.8389 10.1206 10.1206 11.1448 11.1448 11.8587 11.8587 12.1292 12.1292 12.6330 12.6330 k = 0.0000 0.0256-0.0000 ( 5693 PWs) bands (ev): -18.2894 -18.2894 -17.8010 -17.8010 -17.7966 -17.7966 -7.8521 -7.8521 -5.0618 -5.0618 -4.3809 -4.3809 -4.3248 -4.3248 -3.7513 -3.7513 -3.6055 -3.6055 -2.8502 -2.8502 -2.7719 -2.7719 -2.4792 -2.4792 -2.2072 -2.2072 -2.1274 -2.1274 -1.8864 -1.8864 2.1188 2.1188 2.1281 2.1281 2.4420 2.4420 2.4593 2.4593 2.4856 2.4856 5.2742 5.2742 6.7385 6.7385 6.9175 6.9175 7.0114 7.0114 7.8351 7.8351 8.3680 8.3680 8.4802 8.4802 8.9203 8.9203 9.0200 9.0200 9.8513 9.8513 10.1286 10.1286 11.1565 11.1565 11.8638 11.8638 12.1391 12.1391 12.6310 12.6310 k = 0.0000 0.0385-0.0000 ( 5697 PWs) bands (ev): -18.2888 -18.2888 -17.8008 -17.8008 -17.7962 -17.7962 -7.8542 -7.8542 -5.0623 -5.0623 -4.3952 -4.3952 -4.3188 -4.3188 -3.7552 -3.7552 -3.6061 -3.6061 -2.8484 -2.8484 -2.7708 -2.7708 -2.4778 -2.4778 -2.2049 -2.2049 -2.1238 -2.1238 -1.8817 -1.8817 2.1189 2.1189 2.1284 2.1284 2.4427 2.4427 2.4592 2.4592 2.4854 2.4854 5.2737 5.2737 6.7380 6.7380 6.9078 6.9078 7.0009 7.0009 7.8331 7.8331 8.3504 8.3504 8.4633 8.4633 8.9048 8.9048 9.0042 9.0042 9.8717 9.8717 10.1415 10.1415 11.1757 11.1757 11.8717 11.8717 12.1556 12.1556 12.6273 12.6273 k = 0.0000 0.0513-0.0000 ( 5693 PWs) bands (ev): -18.2879 -18.2879 -17.8006 -17.8006 -17.7956 -17.7956 -7.8573 -7.8573 -5.0630 -5.0630 -4.4116 -4.4116 -4.3140 -4.3140 -3.7605 -3.7605 -3.6068 -3.6068 -2.8460 -2.8460 -2.7693 -2.7693 -2.4760 -2.4760 -2.2019 -2.2019 -2.1190 -2.1190 -1.8749 -1.8749 2.1191 2.1191 2.1289 2.1289 2.4437 2.4437 2.4591 2.4591 2.4852 2.4852 5.2730 5.2730 6.7372 6.7372 6.8941 6.8941 6.9868 6.9868 7.8303 7.8303 8.3253 8.3253 8.4415 8.4415 8.8829 8.8829 8.9832 8.9832 9.8997 9.8997 10.1590 10.1590 11.2022 11.2022 11.8818 11.8818 12.1785 12.1785 12.6219 12.6219 k = 0.0000 0.0641-0.0000 ( 5693 PWs) bands (ev): -18.2868 -18.2868 -17.8003 -17.8003 -17.7949 -17.7949 -7.8611 -7.8611 -5.0639 -5.0639 -4.4298 -4.4298 -4.3108 -4.3108 -3.7666 -3.7666 -3.6079 -3.6079 -2.8432 -2.8432 -2.7672 -2.7672 -2.4736 -2.4736 -2.1983 -2.1983 -2.1129 -2.1129 -1.8662 -1.8662 2.1192 2.1192 2.1294 2.1294 2.4451 2.4451 2.4590 2.4590 2.4850 2.4850 5.2721 5.2721 6.7362 6.7362 6.8765 6.8765 6.9693 6.9693 7.8266 7.8266 8.2923 8.2923 8.4161 8.4161 8.8545 8.8545 8.9577 8.9577 9.9346 9.9346 10.1805 10.1805 11.2358 11.2358 11.8932 11.8932 12.2076 12.2076 12.6160 12.6160 k = 0.0000 0.0769-0.0000 ( 5695 PWs) bands (ev): -18.2854 -18.2854 -17.7999 -17.7999 -17.7940 -17.7940 -7.8657 -7.8657 -5.0651 -5.0651 -4.4494 -4.4494 -4.3094 -4.3094 -3.7735 -3.7735 -3.6091 -3.6091 -2.8401 -2.8401 -2.7645 -2.7645 -2.4708 -2.4708 -2.1944 -2.1944 -2.1055 -2.1055 -1.8555 -1.8555 2.1194 2.1194 2.1300 2.1300 2.4467 2.4467 2.4588 2.4588 2.4847 2.4847 5.2710 5.2710 6.7350 6.7350 6.8550 6.8550 6.9489 6.9489 7.8221 7.8221 8.2518 8.2518 8.3881 8.3881 8.8198 8.8198 8.9286 8.9286 9.9759 9.9759 10.2055 10.2055 11.2759 11.2759 11.9045 11.9045 12.2429 12.2429 12.6120 12.6120 k = 0.0000 0.0897-0.0000 ( 5689 PWs) bands (ev): -18.2838 -18.2838 -17.7994 -17.7994 -17.7930 -17.7930 -7.8711 -7.8711 -5.0667 -5.0667 -4.4704 -4.4704 -4.3099 -4.3099 -3.7806 -3.7806 -3.6105 -3.6105 -2.8367 -2.8367 -2.7613 -2.7613 -2.4674 -2.4674 -2.1904 -2.1904 -2.0969 -2.0969 -1.8428 -1.8428 2.1197 2.1197 2.1307 2.1307 2.4486 2.4486 2.4586 2.4586 2.4844 2.4844 5.2696 5.2696 6.7335 6.7335 6.8296 6.8296 6.9261 6.9261 7.8167 7.8167 8.2046 8.2046 8.3579 8.3579 8.7790 8.7790 8.8965 8.8965 10.0229 10.0229 10.2336 10.2336 11.3224 11.3224 11.9143 11.9143 12.2839 12.2839 12.6125 12.6125 k = 0.0000 0.1026-0.0000 ( 5689 PWs) bands (ev): -18.2820 -18.2820 -17.7989 -17.7989 -17.7919 -17.7919 -7.8772 -7.8772 -5.0685 -5.0685 -4.4926 -4.4926 -4.3121 -4.3121 -3.7877 -3.7877 -3.6122 -3.6122 -2.8330 -2.8330 -2.7576 -2.7576 -2.4636 -2.4636 -2.1866 -2.1866 -2.0871 -2.0871 -1.8282 -1.8282 2.1199 2.1199 2.1315 2.1315 2.4508 2.4508 2.4584 2.4584 2.4842 2.4842 5.2681 5.2681 6.7315 6.7315 6.8007 6.8007 6.9012 6.9012 7.8103 7.8103 8.1519 8.1519 8.3257 8.3257 8.7329 8.7329 8.8619 8.8619 10.0747 10.0747 10.2646 10.2646 11.3745 11.3745 11.9213 11.9213 12.3303 12.3303 12.6201 12.6201 k = 0.0000 0.1154-0.0000 ( 5695 PWs) bands (ev): -18.2800 -18.2800 -17.7983 -17.7983 -17.7906 -17.7906 -7.8840 -7.8840 -5.0708 -5.0708 -4.5159 -4.5159 -4.3162 -4.3162 -3.7946 -3.7946 -3.6139 -3.6139 -2.8292 -2.8292 -2.7535 -2.7535 -2.4594 -2.4594 -2.1832 -2.1832 -2.0762 -2.0762 -1.8117 -1.8117 2.1201 2.1201 2.1322 2.1322 2.4532 2.4532 2.4580 2.4580 2.4839 2.4839 5.2663 5.2663 6.7287 6.7287 6.7690 6.7690 6.8747 6.8747 7.8029 7.8029 8.0947 8.0947 8.2915 8.2915 8.6821 8.6821 8.8251 8.8251 10.1298 10.1298 10.2987 10.2987 11.4320 11.4320 11.9244 11.9244 12.3817 12.3817 12.6369 12.6369 k = 0.0000 0.1282-0.0000 ( 5697 PWs) bands (ev): -18.2778 -18.2778 -17.7977 -17.7977 -17.7892 -17.7892 -7.8915 -7.8915 -5.0736 -5.0736 -4.5402 -4.5402 -4.3220 -4.3220 -3.8008 -3.8008 -3.6158 -3.6158 -2.8251 -2.8251 -2.7490 -2.7490 -2.4547 -2.4547 -2.1805 -2.1805 -2.0641 -2.0641 -1.7934 -1.7934 2.1204 2.1204 2.1331 2.1331 2.4557 2.4557 2.4579 2.4579 2.4837 2.4837 5.2643 5.2643 6.7201 6.7201 6.7399 6.7399 6.8467 6.8467 7.7941 7.7941 8.0345 8.0345 8.2554 8.2554 8.6275 8.6275 8.7863 8.7863 10.1862 10.1862 10.3373 10.3373 11.4941 11.4941 11.9230 11.9230 12.4374 12.4374 12.6641 12.6641 k = 0.0000 0.1410-0.0000 ( 5691 PWs) bands (ev): -18.2754 -18.2754 -17.7970 -17.7970 -17.7877 -17.7877 -7.8995 -7.8995 -5.0769 -5.0769 -4.5654 -4.5654 -4.3293 -4.3293 -3.8064 -3.8064 -3.6177 -3.6177 -2.8207 -2.8207 -2.7443 -2.7443 -2.4496 -2.4496 -2.1785 -2.1785 -2.0509 -2.0509 -1.7736 -1.7736 2.1207 2.1207 2.1339 2.1339 2.4564 2.4564 2.4597 2.4597 2.4835 2.4835 5.2620 5.2620 6.6897 6.6897 6.7298 6.7298 6.8176 6.8176 7.7833 7.7833 7.9727 7.9727 8.2176 8.2176 8.5699 8.5699 8.7458 8.7458 10.2400 10.2400 10.3831 10.3831 11.5603 11.5603 11.9172 11.9172 12.4967 12.4967 12.7016 12.7016 k = 0.0000 0.1538-0.0000 ( 5697 PWs) bands (ev): -18.2728 -18.2728 -17.7963 -17.7963 -17.7860 -17.7860 -7.9081 -7.9081 -5.0808 -5.0808 -4.5913 -4.5913 -4.3380 -4.3380 -3.8111 -3.8111 -3.6196 -3.6196 -2.8160 -2.8160 -2.7394 -2.7394 -2.4442 -2.4442 -2.1773 -2.1773 -2.0367 -2.0367 -1.7524 -1.7524 2.1209 2.1209 2.1347 2.1347 2.4559 2.4559 2.4629 2.4629 2.4835 2.4835 5.2595 5.2595 6.6504 6.6504 6.7262 6.7262 6.7875 6.7875 7.7690 7.7690 7.9115 7.9115 8.1783 8.1783 8.5101 8.5101 8.7038 8.7038 10.2873 10.2873 10.4396 10.4396 11.6298 11.6298 11.9078 11.9078 12.5587 12.5587 12.7437 12.7437 k = 0.0000 0.1667-0.0000 ( 5693 PWs) bands (ev): -18.2701 -18.2701 -17.7955 -17.7955 -17.7843 -17.7843 -7.9172 -7.9172 -5.0853 -5.0853 -4.6179 -4.6179 -4.3478 -4.3478 -3.8148 -3.8148 -3.6215 -3.6215 -2.8109 -2.8109 -2.7344 -2.7344 -2.4384 -2.4384 -2.1770 -2.1770 -2.0217 -2.0217 -1.7301 -1.7301 2.1212 2.1212 2.1355 2.1355 2.4551 2.4551 2.4664 2.4664 2.4836 2.4836 5.2568 5.2568 6.6088 6.6088 6.7228 6.7228 6.7567 6.7567 7.7471 7.7471 7.8557 7.8557 8.1375 8.1375 8.4488 8.4488 8.6606 8.6606 10.3260 10.3260 10.5079 10.5079 11.7017 11.7017 11.8957 11.8957 12.6226 12.6226 12.7602 12.7602 k = 0.0000 0.1795-0.0000 ( 5701 PWs) bands (ev): -18.2673 -18.2673 -17.7947 -17.7947 -17.7825 -17.7825 -7.9267 -7.9267 -5.0905 -5.0905 -4.6450 -4.6450 -4.3584 -4.3584 -3.8177 -3.8177 -3.6233 -3.6233 -2.8055 -2.8055 -2.7295 -2.7295 -2.4323 -2.4323 -2.1776 -2.1776 -2.0060 -2.0060 -1.7068 -1.7068 2.1214 2.1214 2.1362 2.1362 2.4542 2.4542 2.4701 2.4701 2.4839 2.4839 5.2537 5.2537 6.5658 6.5658 6.7162 6.7162 6.7286 6.7286 7.7104 7.7104 7.8132 7.8132 8.0957 8.0957 8.3866 8.3866 8.6164 8.6164 10.3571 10.3571 10.5865 10.5865 11.7747 11.7747 11.8823 11.8823 12.6872 12.6872 12.7696 12.7696 k = 0.0000 0.1923-0.0000 ( 5695 PWs) bands (ev): -18.2643 -18.2643 -17.7939 -17.7939 -17.7806 -17.7806 -7.9365 -7.9365 -5.0964 -5.0964 -4.6725 -4.6725 -4.3696 -4.3696 -3.8196 -3.8196 -3.6251 -3.6251 -2.7997 -2.7997 -2.7245 -2.7245 -2.4259 -2.4259 -2.1790 -2.1790 -1.9896 -1.9896 -1.6827 -1.6827 2.1217 2.1217 2.1368 2.1368 2.4531 2.4531 2.4738 2.4738 2.4848 2.4848 5.2505 5.2505 6.5221 6.5221 6.6898 6.6898 6.7197 6.7197 7.6569 7.6569 7.7862 7.7862 8.0531 8.0531 8.3241 8.3241 8.5716 8.5716 10.3822 10.3822 10.6731 10.6731 11.8455 11.8455 11.8703 11.8703 12.7491 12.7491 12.7876 12.7876 k = 0.0000 0.2051-0.0000 ( 5699 PWs) bands (ev): -18.2612 -18.2612 -17.7931 -17.7931 -17.7787 -17.7787 -7.9466 -7.9466 -5.1030 -5.1030 -4.7002 -4.7002 -4.3812 -4.3812 -3.8207 -3.8207 -3.6267 -3.6267 -2.7936 -2.7936 -2.7194 -2.7194 -2.4193 -2.4193 -2.1811 -2.1811 -1.9729 -1.9729 -1.6581 -1.6581 2.1219 2.1219 2.1374 2.1374 2.4519 2.4519 2.4769 2.4769 2.4864 2.4864 5.2469 5.2469 6.4780 6.4780 6.6575 6.6575 6.7162 6.7162 7.5941 7.5941 7.7677 7.7677 8.0098 8.0098 8.2620 8.2620 8.5264 8.5264 10.4027 10.4027 10.7659 10.7659 11.8527 11.8527 11.9208 11.9208 12.7925 12.7925 12.8319 12.8319 k = 0.0000 0.2179-0.0000 ( 5693 PWs) bands (ev): -18.2580 -18.2580 -17.7922 -17.7922 -17.7767 -17.7767 -7.9570 -7.9570 -5.1104 -5.1104 -4.7279 -4.7279 -4.3928 -4.3928 -3.8211 -3.8211 -3.6282 -3.6282 -2.7873 -2.7873 -2.7143 -2.7143 -2.4126 -2.4126 -2.1840 -2.1840 -1.9559 -1.9559 -1.6332 -1.6332 2.1221 2.1221 2.1379 2.1379 2.4507 2.4507 2.4792 2.4792 2.4893 2.4893 5.2431 5.2431 6.4342 6.4342 6.6245 6.6245 6.7130 6.7130 7.5279 7.5279 7.7522 7.7522 7.9664 7.9664 8.2006 8.2006 8.4810 8.4810 10.4192 10.4192 10.8639 10.8639 11.8405 11.8405 11.9882 11.9882 12.8268 12.8268 12.8946 12.8946 k = 0.0000 0.2308-0.0000 ( 5699 PWs) bands (ev): -18.2548 -18.2548 -17.7914 -17.7914 -17.7747 -17.7747 -7.9675 -7.9675 -5.1185 -5.1185 -4.7556 -4.7556 -4.4042 -4.4042 -3.8207 -3.8207 -3.6295 -3.6295 -2.7808 -2.7808 -2.7091 -2.7091 -2.4058 -2.4058 -2.1876 -2.1876 -1.9388 -1.9388 -1.6081 -1.6081 2.1222 2.1222 2.1384 2.1384 2.4493 2.4493 2.4805 2.4805 2.4934 2.4934 5.2390 5.2390 6.3908 6.3908 6.5915 6.5915 6.7098 6.7098 7.4605 7.4605 7.7377 7.7377 7.9229 7.9229 8.1406 8.1406 8.4359 8.4359 10.4321 10.4321 10.9660 10.9660 11.8296 11.8296 12.0507 12.0507 12.8693 12.8693 12.9588 12.9588 k = 0.0000 0.2436-0.0000 ( 5701 PWs) bands (ev): -18.2515 -18.2515 -17.7905 -17.7905 -17.7727 -17.7727 -7.9781 -7.9781 -5.1274 -5.1274 -4.7831 -4.7831 -4.4152 -4.4152 -3.8198 -3.8198 -3.6308 -3.6308 -2.7743 -2.7743 -2.7036 -2.7036 -2.3989 -2.3989 -2.1917 -2.1917 -1.9218 -1.9218 -1.5830 -1.5830 2.1223 2.1223 2.1387 2.1387 2.4478 2.4478 2.4813 2.4813 2.4982 2.4982 5.2347 5.2347 6.3483 6.3483 6.5585 6.5585 6.7066 6.7066 7.3932 7.3932 7.7231 7.7231 7.8798 7.8798 8.0825 8.0825 8.3911 8.3911 10.4418 10.4418 11.0718 11.0718 11.8206 11.8206 12.1066 12.1066 12.9236 12.9236 13.0206 13.0206 k = 0.0000 0.2564-0.0000 ( 5701 PWs) bands (ev): -18.2482 -18.2482 -17.7897 -17.7897 -17.7706 -17.7706 -7.9888 -7.9888 -5.1369 -5.1369 -4.8103 -4.8103 -4.4256 -4.4256 -3.8183 -3.8183 -3.6318 -3.6318 -2.7678 -2.7678 -2.6977 -2.6977 -2.3921 -2.3921 -2.1965 -2.1965 -1.9049 -1.9049 -1.5582 -1.5582 2.1224 2.1224 2.1389 2.1389 2.4462 2.4462 2.4819 2.4819 2.5035 2.5035 5.2300 5.2300 6.3069 6.3069 6.5259 6.5259 6.7032 6.7032 7.3267 7.3267 7.7078 7.7078 7.8373 7.8373 8.0267 8.0267 8.3471 8.3471 10.4484 10.4484 11.1804 11.1804 11.8139 11.8139 12.1552 12.1552 12.9904 12.9904 13.0769 13.0769 k = 0.0000 0.2692-0.0000 ( 5699 PWs) bands (ev): -18.2449 -18.2449 -17.7888 -17.7888 -17.7686 -17.7686 -7.9993 -7.9993 -5.1471 -5.1471 -4.8369 -4.8369 -4.4353 -4.4353 -3.8165 -3.8165 -3.6327 -3.6327 -2.7616 -2.7616 -2.6913 -2.6913 -2.3854 -2.3854 -2.2017 -2.2017 -1.8882 -1.8882 -1.5337 -1.5337 2.1225 2.1225 2.1390 2.1390 2.4446 2.4446 2.4825 2.4825 2.5091 2.5091 5.2251 5.2251 6.2669 6.2669 6.4939 6.4939 6.6998 6.6998 7.2613 7.2613 7.6914 7.6914 7.7956 7.7956 7.9740 7.9740 8.3040 8.3040 10.4524 10.4524 11.2913 11.2913 11.8095 11.8095 12.1967 12.1967 13.0688 13.0688 13.1272 13.1272 k = 0.0000 0.2821-0.0000 ( 5699 PWs) bands (ev): -18.2416 -18.2416 -17.7880 -17.7880 -17.7666 -17.7666 -8.0098 -8.0098 -5.1577 -5.1577 -4.8630 -4.8630 -4.4443 -4.4443 -3.8143 -3.8143 -3.6335 -3.6335 -2.7558 -2.7558 -2.6843 -2.6843 -2.3789 -2.3789 -2.2073 -2.2073 -1.8720 -1.8720 -1.5097 -1.5097 2.1225 2.1225 2.1390 2.1390 2.4430 2.4430 2.4830 2.4830 2.5148 2.5148 5.2200 5.2200 6.2286 6.2286 6.4625 6.4625 6.6964 6.6964 7.1975 7.1975 7.6733 7.6733 7.7553 7.7553 7.9249 7.9249 8.2620 8.2620 10.4540 10.4540 11.4037 11.4037 11.8074 11.8074 12.2319 12.2319 13.1548 13.1548 13.1769 13.1769 k = 0.0000 0.2949-0.0000 ( 5703 PWs) bands (ev): -18.2384 -18.2384 -17.7872 -17.7872 -17.7646 -17.7646 -8.0201 -8.0201 -5.1687 -5.1687 -4.8883 -4.8883 -4.4524 -4.4524 -3.8119 -3.8119 -3.6341 -3.6341 -2.7505 -2.7505 -2.6766 -2.6766 -2.3726 -2.3726 -2.2132 -2.2132 -1.8562 -1.8562 -1.4864 -1.4864 2.1225 2.1225 2.1389 2.1389 2.4414 2.4414 2.4835 2.4835 2.5207 2.5207 5.2146 5.2146 6.1922 6.1922 6.4321 6.4321 6.6928 6.6928 7.1356 7.1356 7.6530 7.6530 7.7164 7.7164 7.8802 7.8802 8.2214 8.2214 10.4535 10.4535 11.5170 11.5170 11.8075 11.8075 12.2621 12.2621 13.2185 13.2185 13.2499 13.2499 k = 0.0000 0.3077-0.0000 ( 5685 PWs) bands (ev): -18.2352 -18.2352 -17.7864 -17.7864 -17.7626 -17.7626 -8.0301 -8.0301 -5.1800 -5.1800 -4.9127 -4.9127 -4.4597 -4.4597 -3.8093 -3.8093 -3.6346 -3.6346 -2.7457 -2.7457 -2.6682 -2.6682 -2.3667 -2.3667 -2.2194 -2.2194 -1.8411 -1.8411 -1.4638 -1.4638 2.1224 2.1224 2.1388 2.1388 2.4397 2.4397 2.4840 2.4840 2.5266 2.5266 5.2091 5.2091 6.1578 6.1578 6.4027 6.4027 6.6892 6.6892 7.0758 7.0758 7.6299 7.6299 7.6794 7.6794 7.8406 7.8406 8.1823 8.1823 10.4512 10.4512 11.6304 11.6304 11.8095 11.8095 12.2885 12.2885 13.2673 13.2673 13.3147 13.3147 k = 0.0000 0.3205-0.0000 ( 5685 PWs) bands (ev): -18.2321 -18.2321 -17.7857 -17.7857 -17.7608 -17.7608 -8.0398 -8.0398 -5.1915 -5.1915 -4.9362 -4.9362 -4.4661 -4.4661 -3.8065 -3.8065 -3.6350 -3.6350 -2.7416 -2.7416 -2.6591 -2.6591 -2.3613 -2.3613 -2.2257 -2.2257 -1.8266 -1.8266 -1.4421 -1.4421 2.1224 2.1224 2.1385 2.1385 2.4381 2.4381 2.4845 2.4845 2.5325 2.5325 5.2034 5.2034 6.1256 6.1256 6.3745 6.3745 6.6856 6.6856 7.0184 7.0184 7.6041 7.6041 7.6442 7.6442 7.8064 7.8064 8.1450 8.1450 10.4475 10.4475 11.7427 11.7427 11.8132 11.8132 12.3124 12.3124 13.3157 13.3157 13.3655 13.3655 k = 0.0000 0.3333-0.0000 ( 5687 PWs) bands (ev): -18.2292 -18.2292 -17.7850 -17.7850 -17.7589 -17.7589 -8.0492 -8.0492 -5.2029 -5.2029 -4.9585 -4.9585 -4.4717 -4.4717 -3.8038 -3.8038 -3.6353 -3.6353 -2.7380 -2.7380 -2.6494 -2.6494 -2.3565 -2.3565 -2.2321 -2.2321 -1.8128 -1.8128 -1.4215 -1.4215 2.1223 2.1223 2.1382 2.1382 2.4365 2.4365 2.4849 2.4849 2.5383 2.5383 5.1976 5.1976 6.0958 6.0958 6.3476 6.3476 6.6820 6.6820 6.9636 6.9636 7.5762 7.5762 7.6105 7.6105 7.7777 7.7777 8.1096 8.1096 10.4426 10.4426 11.8181 11.8181 11.8534 11.8534 12.3348 12.3348 13.3645 13.3645 13.4114 13.4114 k = 0.0000 0.3462-0.0000 ( 5703 PWs) bands (ev): -18.2263 -18.2263 -17.7843 -17.7843 -17.7572 -17.7572 -8.0581 -8.0581 -5.2142 -5.2142 -4.9796 -4.9796 -4.4765 -4.4765 -3.8010 -3.8010 -3.6355 -3.6355 -2.7349 -2.7349 -2.6392 -2.6392 -2.3524 -2.3524 -2.2383 -2.2383 -1.7998 -1.7998 -1.4019 -1.4019 2.1221 2.1221 2.1378 2.1378 2.4349 2.4349 2.4853 2.4853 2.5439 2.5439 5.1917 5.1917 6.0683 6.0683 6.3223 6.3223 6.6783 6.6783 6.9118 6.9118 7.5474 7.5474 7.5781 7.5781 7.7540 7.7540 8.0762 8.0762 10.4370 10.4370 11.8245 11.8245 11.9607 11.9607 12.3564 12.3564 13.4132 13.4132 13.4542 13.4542 k = 0.0000 0.3590-0.0000 ( 5703 PWs) bands (ev): -18.2236 -18.2236 -17.7837 -17.7837 -17.7555 -17.7555 -8.0665 -8.0665 -5.2252 -5.2252 -4.9994 -4.9994 -4.4806 -4.4806 -3.7983 -3.7983 -3.6356 -3.6356 -2.7323 -2.7323 -2.6285 -2.6285 -2.3492 -2.3492 -2.2442 -2.2442 -1.7877 -1.7877 -1.3836 -1.3836 2.1219 2.1219 2.1374 2.1374 2.4334 2.4334 2.4857 2.4857 2.5494 2.5494 5.1859 5.1859 6.0433 6.0433 6.2985 6.2985 6.6747 6.6747 6.8631 6.8631 7.5188 7.5188 7.5469 7.5469 7.7346 7.7346 8.0450 8.0450 10.4309 10.4309 11.8315 11.8315 12.0638 12.0638 12.3777 12.3777 13.4618 13.4618 13.4950 13.4950 k = 0.0000 0.3718-0.0000 ( 5693 PWs) bands (ev): -18.2210 -18.2210 -17.7831 -17.7831 -17.7540 -17.7540 -8.0744 -8.0744 -5.2357 -5.2357 -5.0178 -5.0178 -4.4840 -4.4840 -3.7957 -3.7957 -3.6357 -3.6357 -2.7302 -2.7302 -2.6176 -2.6176 -2.3471 -2.3471 -2.2496 -2.2496 -1.7765 -1.7765 -1.3665 -1.3665 2.1218 2.1218 2.1370 2.1370 2.4321 2.4321 2.4861 2.4861 2.5546 2.5546 5.1801 5.1801 6.0208 6.0208 6.2764 6.2764 6.6710 6.6710 6.8177 6.8177 7.4914 7.4914 7.5171 7.5171 7.7184 7.7184 8.0161 8.0161 10.4244 10.4244 11.8391 11.8391 12.1613 12.1613 12.3990 12.3990 13.5091 13.5091 13.5230 13.5230 k = 0.0000 0.3846-0.0000 ( 5695 PWs) bands (ev): -18.2187 -18.2187 -17.7826 -17.7826 -17.7526 -17.7526 -8.0817 -8.0817 -5.2457 -5.2457 -5.0347 -5.0347 -4.4868 -4.4868 -3.7932 -3.7932 -3.6357 -3.6357 -2.7283 -2.7283 -2.6066 -2.6066 -2.3462 -2.3462 -2.2542 -2.2542 -1.7662 -1.7662 -1.3508 -1.3508 2.1216 2.1216 2.1365 2.1365 2.4307 2.4307 2.4865 2.4865 2.5596 2.5596 5.1745 5.1745 6.0007 6.0007 6.2562 6.2562 6.6675 6.6675 6.7760 6.7760 7.4657 7.4657 7.4892 7.4892 7.7049 7.7049 7.9897 7.9897 10.4180 10.4180 11.8470 11.8470 12.2519 12.2519 12.4207 12.4207 13.4661 13.4661 13.5566 13.5566 k = 0.0000 0.3974-0.0000 ( 5693 PWs) bands (ev): -18.2165 -18.2165 -17.7821 -17.7821 -17.7513 -17.7513 -8.0883 -8.0883 -5.2550 -5.2550 -5.0501 -5.0501 -4.4892 -4.4892 -3.7909 -3.7909 -3.6357 -3.6357 -2.7268 -2.7268 -2.5958 -2.5958 -2.3465 -2.3465 -2.2580 -2.2580 -1.7569 -1.7569 -1.3366 -1.3366 2.1214 2.1214 2.1361 2.1361 2.4295 2.4295 2.4868 2.4868 2.5641 2.5641 5.1692 5.1692 5.9830 5.9830 6.2378 6.2378 6.6638 6.6638 6.7382 6.7382 7.4421 7.4421 7.4635 7.4635 7.6936 7.6936 7.9657 7.9657 10.4118 10.4118 11.8548 11.8548 12.3343 12.3343 12.4426 12.4426 13.4099 13.4099 13.6016 13.6016 k = 0.0000 0.4103-0.0000 ( 5693 PWs) bands (ev): -18.2145 -18.2145 -17.7817 -17.7817 -17.7501 -17.7501 -8.0942 -8.0942 -5.2634 -5.2634 -5.0638 -5.0638 -4.4911 -4.4911 -3.7888 -3.7888 -3.6357 -3.6357 -2.7255 -2.7255 -2.5851 -2.5851 -2.3481 -2.3481 -2.2609 -2.2609 -1.7487 -1.7487 -1.3239 -1.3239 2.1213 2.1213 2.1357 2.1357 2.4284 2.4284 2.4871 2.4871 2.5683 2.5683 5.1643 5.1643 5.9678 5.9678 6.2215 6.2215 6.6597 6.6597 6.7049 6.7049 7.4208 7.4208 7.4404 7.4404 7.6841 7.6841 7.9444 7.9444 10.4059 10.4059 11.8623 11.8623 12.4075 12.4075 12.4646 12.4646 13.3561 13.3561 13.6443 13.6443 k = 0.0000 0.4231-0.0000 ( 5681 PWs) bands (ev): -18.2128 -18.2128 -17.7813 -17.7813 -17.7491 -17.7491 -8.0995 -8.0995 -5.2710 -5.2710 -5.0758 -5.0758 -4.4926 -4.4926 -3.7869 -3.7869 -3.6356 -3.6356 -2.7245 -2.7245 -2.5750 -2.5750 -2.3508 -2.3508 -2.2629 -2.2629 -1.7414 -1.7414 -1.3127 -1.3127 2.1211 2.1211 2.1353 2.1353 2.4275 2.4275 2.4874 2.4874 2.5721 2.5721 5.1597 5.1597 5.9548 5.9548 6.2071 6.2071 6.6535 6.6535 6.6782 6.6782 7.4021 7.4021 7.4201 7.4201 7.6761 7.6761 7.9258 7.9258 10.4005 10.4005 11.8693 11.8693 12.4707 12.4707 12.4864 12.4864 13.3059 13.3059 13.6837 13.6837 k = 0.0000 0.4359-0.0000 ( 5680 PWs) bands (ev): -18.2114 -18.2114 -17.7810 -17.7810 -17.7482 -17.7482 -8.1040 -8.1040 -5.2775 -5.2775 -5.0860 -5.0860 -4.4937 -4.4937 -3.7853 -3.7853 -3.6356 -3.6356 -2.7237 -2.7237 -2.5657 -2.5657 -2.3542 -2.3542 -2.2641 -2.2641 -1.7353 -1.7353 -1.3032 -1.3032 2.1210 2.1210 2.1350 2.1350 2.4267 2.4267 2.4877 2.4877 2.5753 2.5753 5.1557 5.1557 5.9440 5.9440 6.1949 6.1949 6.6395 6.6395 6.6638 6.6638 7.3860 7.3860 7.4027 7.4027 7.6695 7.6695 7.9099 7.9099 10.3958 10.3958 11.8755 11.8755 12.5074 12.5074 12.5237 12.5237 13.2602 13.2602 13.7190 13.7190 k = 0.0000 0.4487-0.0000 ( 5688 PWs) bands (ev): -18.2101 -18.2101 -17.7807 -17.7807 -17.7474 -17.7474 -8.1077 -8.1077 -5.2830 -5.2830 -5.0945 -5.0945 -4.4946 -4.4946 -3.7839 -3.7839 -3.6355 -3.6355 -2.7230 -2.7230 -2.5573 -2.5573 -2.3580 -2.3580 -2.2647 -2.2647 -1.7303 -1.7303 -1.2953 -1.2953 2.1208 2.1208 2.1347 2.1347 2.4259 2.4259 2.4878 2.4878 2.5780 2.5780 5.1524 5.1524 5.9354 5.9354 6.1849 6.1849 6.6211 6.6211 6.6587 6.6587 7.3727 7.3727 7.3883 7.3883 7.6642 7.6642 7.8968 7.8968 10.3918 10.3918 11.8809 11.8809 12.5271 12.5271 12.5661 12.5661 13.2201 13.2201 13.7493 13.7494 k = 0.0000 0.4615-0.0000 ( 5692 PWs) bands (ev): -18.2092 -18.2092 -17.7805 -17.7805 -17.7469 -17.7469 -8.1106 -8.1106 -5.2873 -5.2873 -5.1011 -5.1011 -4.4953 -4.4953 -3.7828 -3.7828 -3.6355 -3.6355 -2.7225 -2.7225 -2.5503 -2.5503 -2.3615 -2.3615 -2.2650 -2.2650 -1.7263 -1.7263 -1.2892 -1.2892 2.1207 2.1207 2.1344 2.1344 2.4254 2.4254 2.4879 2.4879 2.5801 2.5801 5.1496 5.1496 5.9288 5.9288 6.1770 6.1770 6.6052 6.6052 6.6561 6.6561 7.3623 7.3623 7.3771 7.3771 7.6602 7.6602 7.8866 7.8866 10.3886 10.3886 11.8852 11.8852 12.5442 12.5442 12.5985 12.5985 13.1868 13.1868 13.7740 13.7740 k = 0.0000 0.4744-0.0000 ( 5700 PWs) bands (ev): -18.2085 -18.2085 -17.7804 -17.7804 -17.7465 -17.7465 -8.1127 -8.1127 -5.2904 -5.2904 -5.1058 -5.1058 -4.4957 -4.4957 -3.7821 -3.7821 -3.6354 -3.6354 -2.7222 -2.7222 -2.5450 -2.5450 -2.3645 -2.3645 -2.2651 -2.2651 -1.7235 -1.7235 -1.2848 -1.2848 2.1206 2.1206 2.1342 2.1342 2.4250 2.4250 2.4880 2.4880 2.5816 2.5816 5.1477 5.1477 5.9241 5.9241 6.1713 6.1713 6.5934 6.5934 6.6545 6.6545 7.3548 7.3548 7.3691 7.3691 7.6573 7.6573 7.8793 7.8793 10.3862 10.3862 11.8884 11.8884 12.5578 12.5578 12.6212 12.6212 13.1617 13.1617 13.7923 13.7923 k = 0.0000 0.4872-0.0000 ( 5692 PWs) bands (ev): -18.2081 -18.2081 -17.7803 -17.7803 -17.7462 -17.7462 -8.1140 -8.1140 -5.2923 -5.2923 -5.1087 -5.1087 -4.4959 -4.4959 -3.7816 -3.7816 -3.6354 -3.6354 -2.7220 -2.7220 -2.5416 -2.5416 -2.3665 -2.3665 -2.2651 -2.2651 -1.7218 -1.7218 -1.2821 -1.2821 2.1206 2.1206 2.1341 2.1341 2.4248 2.4248 2.4881 2.4881 2.5826 2.5826 5.1465 5.1465 5.9214 5.9214 6.1680 6.1680 6.5863 6.5863 6.6536 6.6536 7.3503 7.3503 7.3643 7.3643 7.6556 7.6556 7.8749 7.8749 10.3848 10.3848 11.8903 11.8903 12.5665 12.5665 12.6346 12.6346 13.1459 13.1459 13.8036 13.8036 k = 0.0000 0.5000-0.0000 ( 5712 PWs) bands (ev): -18.2079 -18.2079 -17.7803 -17.7803 -17.7461 -17.7461 -8.1144 -8.1144 -5.2929 -5.2929 -5.1096 -5.1096 -4.4960 -4.4960 -3.7814 -3.7814 -3.6354 -3.6354 -2.7219 -2.7219 -2.5405 -2.5405 -2.3672 -2.3672 -2.2651 -2.2651 -1.7212 -1.7212 -1.2812 -1.2812 2.1205 2.1205 2.1340 2.1340 2.4246 2.4246 2.4881 2.4881 2.5829 2.5829 5.1461 5.1461 5.9204 5.9204 6.1668 6.1668 6.5839 6.5839 6.6533 6.6533 7.3488 7.3488 7.3627 7.3627 7.6550 7.6550 7.8734 7.8734 10.3844 10.3844 11.8910 11.8910 12.5696 12.5696 12.6390 12.6390 13.1406 13.1406 13.8074 13.8074 k = 0.0000 0.5000-0.0000 ( 5712 PWs) bands (ev): -18.2079 -18.2079 -17.7803 -17.7803 -17.7461 -17.7461 -8.1144 -8.1144 -5.2929 -5.2929 -5.1096 -5.1096 -4.4960 -4.4960 -3.7814 -3.7814 -3.6354 -3.6354 -2.7219 -2.7219 -2.5405 -2.5405 -2.3672 -2.3672 -2.2651 -2.2651 -1.7212 -1.7212 -1.2812 -1.2812 2.1205 2.1205 2.1340 2.1340 2.4246 2.4246 2.4881 2.4881 2.5829 2.5829 5.1461 5.1461 5.9204 5.9204 6.1668 6.1668 6.5839 6.5839 6.6533 6.6533 7.3488 7.3488 7.3627 7.3627 7.6550 7.6550 7.8734 7.8734 10.3844 10.3844 11.8910 11.8910 12.5696 12.5696 12.6390 12.6390 13.1406 13.1406 13.8074 13.8074 k = 0.0128 0.5000-0.0000 ( 5704 PWs) bands (ev): -18.2078 -18.2078 -17.7802 -17.7802 -17.7461 -17.7461 -8.1140 -8.1140 -5.2925 -5.2925 -5.1090 -5.1090 -4.4965 -4.4965 -3.7817 -3.7817 -3.6357 -3.6357 -2.7231 -2.7231 -2.5409 -2.5409 -2.3676 -2.3676 -2.2659 -2.2659 -1.7226 -1.7226 -1.2828 -1.2828 2.1206 2.1206 2.1342 2.1342 2.4247 2.4247 2.4882 2.4882 2.5827 2.5827 5.1470 5.1470 5.9223 5.9223 6.1679 6.1679 6.5864 6.5864 6.6538 6.6538 7.3504 7.3504 7.3651 7.3651 7.6550 7.6550 7.8753 7.8753 10.3846 10.3846 11.8885 11.8885 12.5641 12.5641 12.6403 12.6403 13.1269 13.1269 13.7741 13.7741 k = 0.0256 0.5000-0.0000 ( 5696 PWs) bands (ev): -18.2076 -18.2076 -17.7800 -17.7800 -17.7458 -17.7458 -8.1130 -8.1130 -5.2912 -5.2912 -5.1071 -5.1071 -4.4978 -4.4978 -3.7823 -3.7823 -3.6364 -3.6364 -2.7267 -2.7267 -2.5422 -2.5422 -2.3687 -2.3687 -2.2681 -2.2681 -1.7265 -1.7265 -1.2875 -1.2875 2.1208 2.1208 2.1345 2.1345 2.4250 2.4250 2.4883 2.4883 2.5821 2.5821 5.1498 5.1498 5.9279 5.9279 6.1710 6.1710 6.5939 6.5939 6.6553 6.6553 7.3552 7.3552 7.3723 7.3723 7.6552 7.6552 7.8807 7.8807 10.3853 10.3853 11.8811 11.8811 12.5479 12.5479 12.6440 12.6440 13.0881 13.0881 13.7130 13.7130 k = 0.0385 0.5000-0.0000 ( 5688 PWs) bands (ev): -18.2073 -18.2073 -17.7796 -17.7796 -17.7455 -17.7455 -8.1114 -8.1114 -5.2891 -5.2891 -5.1041 -5.1041 -4.5000 -4.5000 -3.7834 -3.7834 -3.6377 -3.6377 -2.7327 -2.7327 -2.5443 -2.5443 -2.3705 -2.3705 -2.2718 -2.2718 -1.7331 -1.7331 -1.2954 -1.2954 2.1212 2.1212 2.1350 2.1350 2.4254 2.4254 2.4886 2.4886 2.5812 2.5812 5.1545 5.1545 5.9372 5.9372 6.1763 6.1763 6.6059 6.6059 6.6580 6.6580 7.3631 7.3631 7.3842 7.3842 7.6556 7.6556 7.8897 7.8897 10.3865 10.3865 11.8688 11.8688 12.5214 12.5214 12.6502 12.6502 13.0289 13.0289 13.6414 13.6414 k = 0.0513 0.5000-0.0000 ( 5682 PWs) bands (ev): -18.2068 -18.2068 -17.7791 -17.7791 -17.7450 -17.7450 -8.1090 -8.1090 -5.2861 -5.2861 -5.0998 -5.0998 -4.5031 -4.5031 -3.7850 -3.7850 -3.6394 -3.6394 -2.7411 -2.7411 -2.5471 -2.5471 -2.3732 -2.3732 -2.2769 -2.2769 -1.7422 -1.7422 -1.3062 -1.3062 2.1217 2.1217 2.1357 2.1357 2.4259 2.4259 2.4890 2.4890 2.5798 2.5798 5.1610 5.1610 5.9500 5.9500 6.1837 6.1837 6.6216 6.6216 6.6628 6.6628 7.3741 7.3741 7.4008 7.4008 7.6563 7.6563 7.9021 7.9021 10.3881 10.3881 11.8514 11.8514 12.4856 12.4856 12.6589 12.6589 12.9548 12.9548 13.5632 13.5632 k = 0.0641 0.5000-0.0000 ( 5690 PWs) bands (ev): -18.2061 -18.2061 -17.7785 -17.7785 -17.7444 -17.7444 -8.1060 -8.1060 -5.2824 -5.2824 -5.0944 -5.0944 -4.5070 -4.5070 -3.7869 -3.7869 -3.6416 -3.6416 -2.7517 -2.7517 -2.5505 -2.5505 -2.3766 -2.3766 -2.2834 -2.2834 -1.7540 -1.7540 -1.3201 -1.3201 2.1223 2.1223 2.1365 2.1365 2.4266 2.4266 2.4895 2.4895 2.5781 2.5781 5.1693 5.1693 5.9664 5.9664 6.1933 6.1933 6.6382 6.6382 6.6721 6.6721 7.3880 7.3880 7.4221 7.4221 7.6573 7.6573 7.9177 7.9177 10.3901 10.3901 11.8289 11.8289 12.4412 12.4412 12.6702 12.6702 12.8704 12.8704 13.4807 13.4807 k = 0.0769 0.5000-0.0000 ( 5678 PWs) bands (ev): -18.2054 -18.2054 -17.7777 -17.7777 -17.7436 -17.7436 -8.1024 -8.1024 -5.2779 -5.2779 -5.0878 -5.0878 -4.5116 -4.5116 -3.7893 -3.7893 -3.6443 -3.6443 -2.7644 -2.7644 -2.5545 -2.5545 -2.3809 -2.3809 -2.2912 -2.2912 -1.7682 -1.7682 -1.3368 -1.3368 2.1231 2.1231 2.1374 2.1374 2.4274 2.4274 2.4901 2.4901 2.5761 2.5761 5.1795 5.1795 5.9863 5.9863 6.2050 6.2050 6.6508 6.6508 6.6905 6.6905 7.4048 7.4048 7.4478 7.4478 7.6589 7.6589 7.9363 7.9363 10.3925 10.3925 11.8012 11.8012 12.3895 12.3895 12.6840 12.6840 12.7792 12.7792 13.3957 13.3957 k = 0.0897 0.5000-0.0000 ( 5682 PWs) bands (ev): -18.2045 -18.2045 -17.7768 -17.7768 -17.7427 -17.7427 -8.0982 -8.0982 -5.2727 -5.2727 -5.0800 -5.0800 -4.5170 -4.5170 -3.7921 -3.7921 -3.6475 -3.6475 -2.7792 -2.7792 -2.5589 -2.5589 -2.3861 -2.3861 -2.3001 -2.3001 -1.7848 -1.7848 -1.3563 -1.3563 2.1239 2.1239 2.1385 2.1385 2.4282 2.4282 2.4908 2.4908 2.5738 2.5738 5.1914 5.1914 6.0093 6.0093 6.2190 6.2190 6.6587 6.6587 6.7184 6.7184 7.4242 7.4242 7.4778 7.4778 7.6610 7.6610 7.9578 7.9578 10.3953 10.3953 11.7684 11.7684 12.3316 12.3316 12.6835 12.6835 12.7007 12.7007 13.3096 13.3096 k = 0.1026 0.5000-0.0000 ( 5686 PWs) bands (ev): -18.2034 -18.2034 -17.7757 -17.7757 -17.7417 -17.7417 -8.0934 -8.0934 -5.2669 -5.2669 -5.0712 -5.0712 -4.5230 -4.5230 -3.7954 -3.7954 -3.6510 -3.6510 -2.7958 -2.7958 -2.5637 -2.5637 -2.3922 -2.3922 -2.3101 -2.3101 -1.8038 -1.8038 -1.3784 -1.3784 2.1248 2.1248 2.1397 2.1397 2.4292 2.4292 2.4915 2.4915 2.5713 2.5713 5.2051 5.2051 6.0355 6.0355 6.2351 6.2351 6.6648 6.6648 6.7527 6.7527 7.4459 7.4459 7.5121 7.5121 7.6638 7.6638 7.9820 7.9820 10.3982 10.3982 11.7305 11.7305 12.2685 12.2685 12.5859 12.5859 12.7192 12.7192 13.2236 13.2236 k = 0.1154 0.5000-0.0000 ( 5682 PWs) bands (ev): -18.2023 -18.2023 -17.7746 -17.7746 -17.7406 -17.7406 -8.0880 -8.0880 -5.2605 -5.2605 -5.0613 -5.0613 -4.5296 -4.5296 -3.7989 -3.7989 -3.6550 -3.6550 -2.8141 -2.8141 -2.5688 -2.5688 -2.3991 -2.3991 -2.3210 -2.3210 -1.8251 -1.8251 -1.4030 -1.4030 2.1258 2.1258 2.1410 2.1410 2.4303 2.4303 2.4924 2.4924 2.5684 2.5684 5.2204 5.2204 6.0645 6.0645 6.2533 6.2533 6.6704 6.6704 6.7915 6.7915 7.4699 7.4699 7.5503 7.5503 7.6672 7.6672 8.0087 8.0087 10.4014 10.4014 11.6877 11.6877 12.2013 12.2013 12.4868 12.4868 12.7402 12.7402 13.1387 13.1387 k = 0.1282 0.5000-0.0000 ( 5688 PWs) bands (ev): -18.2011 -18.2011 -17.7733 -17.7733 -17.7393 -17.7393 -8.0820 -8.0820 -5.2536 -5.2536 -5.0503 -5.0503 -4.5367 -4.5367 -3.8029 -3.8029 -3.6593 -3.6593 -2.8339 -2.8339 -2.5742 -2.5742 -2.4068 -2.4068 -2.3328 -2.3328 -1.8486 -1.8486 -1.4299 -1.4299 2.1269 2.1269 2.1423 2.1423 2.4314 2.4314 2.4934 2.4934 2.5654 2.5654 5.2375 5.2375 6.0961 6.0961 6.2736 6.2736 6.6758 6.6758 6.8340 6.8340 7.4958 7.4958 7.5923 7.5923 7.6713 7.6713 8.0377 8.0377 10.4048 10.4048 11.6402 11.6402 12.1310 12.1310 12.3875 12.3875 12.7634 12.7634 13.0555 13.0555 k = 0.1410 0.5000-0.0000 ( 5688 PWs) bands (ev): -18.1997 -18.1997 -17.7720 -17.7720 -17.7380 -17.7380 -8.0756 -8.0756 -5.2464 -5.2464 -5.0384 -5.0384 -4.5441 -4.5441 -3.8071 -3.8071 -3.6639 -3.6639 -2.8549 -2.8549 -2.5798 -2.5798 -2.4154 -2.4154 -2.3453 -2.3453 -1.8741 -1.8741 -1.4589 -1.4589 2.1281 2.1281 2.1437 2.1437 2.4326 2.4326 2.4945 2.4945 2.5622 2.5622 5.2561 5.2561 6.1301 6.1301 6.2959 6.2959 6.6814 6.6814 6.8798 6.8798 7.5233 7.5233 7.6378 7.6378 7.6763 7.6763 8.0689 8.0689 10.4082 10.4082 11.5885 11.5885 12.0584 12.0584 12.2887 12.2887 12.7883 12.7883 12.9747 12.9747 k = 0.1538 0.5000-0.0000 ( 5690 PWs) bands (ev): -18.1983 -18.1983 -17.7705 -17.7705 -17.7366 -17.7366 -8.0686 -8.0686 -5.2389 -5.2389 -5.0256 -5.0256 -4.5518 -4.5518 -3.8117 -3.8117 -3.6689 -3.6689 -2.8771 -2.8771 -2.5857 -2.5857 -2.4247 -2.4247 -2.3584 -2.3584 -1.9016 -1.9016 -1.4898 -1.4898 2.1293 2.1293 2.1451 2.1451 2.4338 2.4338 2.4957 2.4957 2.5589 2.5589 5.2763 5.2763 6.1663 6.1663 6.3202 6.3202 6.6871 6.6871 6.9283 6.9283 7.5521 7.5521 7.6811 7.6811 7.6873 7.6873 8.1021 8.1021 10.4117 10.4117 11.5330 11.5330 11.9842 11.9842 12.1908 12.1908 12.8142 12.8142 12.8972 12.8972 k = 0.1667 0.5000-0.0000 ( 5678 PWs) bands (ev): -18.1967 -18.1967 -17.7690 -17.7690 -17.7351 -17.7351 -8.0613 -8.0613 -5.2312 -5.2312 -5.0120 -5.0120 -4.5596 -4.5596 -3.8164 -3.8164 -3.6740 -3.6740 -2.9001 -2.9001 -2.5917 -2.5917 -2.4346 -2.4346 -2.3720 -2.3720 -1.9309 -1.9309 -1.5224 -1.5224 2.1306 2.1306 2.1465 2.1465 2.4350 2.4350 2.4969 2.4969 2.5555 2.5555 5.2981 5.2981 6.2041 6.2041 6.3464 6.3464 6.6930 6.6930 6.9790 6.9790 7.5817 7.5817 7.6884 7.6884 7.7383 7.7383 8.1371 8.1371 10.4151 10.4151 11.4743 11.4743 11.9091 11.9091 12.0943 12.0943 12.8175 12.8175 12.8465 12.8465 k = 0.1795 0.5000-0.0000 ( 5686 PWs) bands (ev): -18.1952 -18.1952 -17.7673 -17.7673 -17.7335 -17.7335 -8.0535 -8.0535 -5.2234 -5.2234 -4.9977 -4.9977 -4.5674 -4.5674 -3.8214 -3.8214 -3.6794 -3.6794 -2.9238 -2.9238 -2.5980 -2.5980 -2.4450 -2.4450 -2.3859 -2.3859 -1.9620 -1.9620 -1.5566 -1.5566 2.1318 2.1318 2.1478 2.1478 2.4363 2.4363 2.4982 2.4982 2.5520 2.5520 5.3213 5.3213 6.2434 6.2434 6.3743 6.3743 6.6990 6.6990 7.0317 7.0317 7.6116 7.6116 7.6961 7.6961 7.7924 7.7924 8.1737 8.1737 10.4183 10.4183 11.4128 11.4128 11.8337 11.8337 11.9997 11.9997 12.7489 12.7489 12.8719 12.8719 k = 0.1923 0.5000-0.0000 ( 5694 PWs) bands (ev): -18.1935 -18.1935 -17.7656 -17.7656 -17.7319 -17.7319 -8.0453 -8.0453 -5.2158 -5.2158 -4.9826 -4.9826 -4.5751 -4.5751 -3.8264 -3.8264 -3.6849 -3.6849 -2.9479 -2.9479 -2.6046 -2.6046 -2.4558 -2.4558 -2.4000 -2.4000 -1.9946 -1.9946 -1.5920 -1.5920 2.1331 2.1331 2.1490 2.1490 2.4374 2.4374 2.4996 2.4996 2.5485 2.5485 5.3459 5.3459 6.2838 6.2838 6.4040 6.4040 6.7051 6.7051 7.0858 7.0858 7.6409 7.6409 7.7055 7.7055 7.8486 7.8486 8.2118 8.2118 10.4215 10.4215 11.3494 11.3494 11.7586 11.7586 11.9071 11.9071 12.6816 12.6816 12.8999 12.8999 k = 0.2051 0.5000-0.0000 ( 5682 PWs) bands (ev): -18.1918 -18.1918 -17.7639 -17.7639 -17.7302 -17.7302 -8.0369 -8.0369 -5.2084 -5.2084 -4.9670 -4.9670 -4.5824 -4.5824 -3.8315 -3.8315 -3.6904 -3.6904 -2.9724 -2.9724 -2.6115 -2.6115 -2.4669 -2.4669 -2.4143 -2.4143 -2.0285 -2.0285 -1.6284 -1.6284 2.1345 2.1345 2.1503 2.1503 2.4387 2.4387 2.5011 2.5011 2.5451 2.5451 5.3718 5.3718 6.3248 6.3248 6.4353 6.4353 6.7113 6.7113 7.1409 7.1409 7.6680 7.6680 7.7178 7.7178 7.9066 7.9066 8.2512 8.2512 10.4244 10.4244 11.2845 11.2845 11.6841 11.6841 11.8168 11.8168 12.6180 12.6180 12.9276 12.9276 k = 0.2179 0.5000-0.0000 ( 5690 PWs) bands (ev): -18.1900 -18.1900 -17.7621 -17.7621 -17.7284 -17.7284 -8.0281 -8.0281 -5.2014 -5.2014 -4.9509 -4.9509 -4.5893 -4.5893 -3.8365 -3.8365 -3.6960 -3.6960 -2.9970 -2.9970 -2.6188 -2.6188 -2.4780 -2.4780 -2.4286 -2.4286 -2.0638 -2.0638 -1.6656 -1.6656 2.1358 2.1358 2.1514 2.1514 2.4398 2.4398 2.5026 2.5026 2.5416 2.5416 5.3990 5.3990 6.3660 6.3660 6.4681 6.4681 6.7175 6.7175 7.1965 7.1965 7.6901 7.6901 7.7353 7.7353 7.9659 7.9659 8.2917 8.2917 10.4270 10.4270 11.2191 11.2191 11.6107 11.6107 11.7291 11.7291 12.5585 12.5585 12.9544 12.9544 k = 0.2308 0.5000-0.0000 ( 5690 PWs) bands (ev): -18.1882 -18.1882 -17.7603 -17.7603 -17.7267 -17.7267 -8.0192 -8.0192 -5.1949 -5.1949 -4.9345 -4.9345 -4.5956 -4.5956 -3.8413 -3.8413 -3.7015 -3.7015 -3.0215 -3.0215 -2.6265 -2.6265 -2.4890 -2.4890 -2.4430 -2.4430 -2.1001 -2.1001 -1.7033 -1.7033 2.1371 2.1371 2.1524 2.1524 2.4410 2.4410 2.5042 2.5042 2.5382 2.5382 5.4273 5.4273 6.4070 6.4070 6.5023 6.5023 6.7239 6.7239 7.2524 7.2524 7.7062 7.7062 7.7587 7.7587 8.0261 8.0261 8.3332 8.3332 10.4294 10.4294 11.1536 11.1536 11.5388 11.5388 11.6442 11.6442 12.5031 12.5031 12.9797 12.9797 k = 0.2436 0.5000-0.0000 ( 5682 PWs) bands (ev): -18.1864 -18.1864 -17.7585 -17.7585 -17.7249 -17.7249 -8.0101 -8.0101 -5.1891 -5.1891 -4.9178 -4.9178 -4.6011 -4.6011 -3.8458 -3.8458 -3.7068 -3.7068 -3.0458 -3.0458 -2.6349 -2.6349 -2.4997 -2.4997 -2.4572 -2.4572 -2.1372 -2.1372 -1.7413 -1.7413 2.1384 2.1384 2.1534 2.1534 2.4421 2.4421 2.5057 2.5057 2.5349 2.5349 5.4567 5.4567 6.4474 6.4474 6.5378 6.5378 6.7302 6.7302 7.3080 7.3080 7.7185 7.7185 7.7854 7.7854 8.0867 8.0867 8.3753 8.3753 10.4315 10.4315 11.0887 11.0887 11.4685 11.4685 11.5621 11.5621 12.4520 12.4520 13.0030 13.0030 k = 0.2564 0.5000-0.0000 ( 5678 PWs) bands (ev): -18.1846 -18.1846 -17.7566 -17.7566 -17.7231 -17.7231 -8.0009 -8.0009 -5.1840 -5.1840 -4.9010 -4.9010 -4.6057 -4.6057 -3.8500 -3.8500 -3.7119 -3.7119 -3.0698 -3.0698 -2.6439 -2.6439 -2.5099 -2.5099 -2.4714 -2.4714 -2.1750 -2.1750 -1.7793 -1.7793 2.1397 2.1397 2.1543 2.1543 2.4431 2.4431 2.5073 2.5073 2.5318 2.5318 5.4870 5.4870 6.4868 6.4868 6.5745 6.5745 6.7366 6.7366 7.3629 7.3629 7.7292 7.7292 7.8130 7.8130 8.1473 8.1473 8.4181 8.4181 10.4333 10.4333 11.0252 11.0252 11.4003 11.4003 11.4831 11.4831 12.4050 12.4050 13.0240 13.0240 k = 0.2692 0.5000-0.0000 ( 5686 PWs) bands (ev): -18.1828 -18.1828 -17.7548 -17.7548 -17.7213 -17.7213 -7.9916 -7.9916 -5.1799 -5.1799 -4.8842 -4.8842 -4.6093 -4.6093 -3.8536 -3.8536 -3.7168 -3.7168 -3.0932 -3.0932 -2.6538 -2.6538 -2.5194 -2.5194 -2.4853 -2.4853 -2.2133 -2.2133 -1.8169 -1.8169 2.1409 2.1409 2.1550 2.1550 2.4440 2.4440 2.5087 2.5087 2.5289 2.5289 5.5181 5.5181 6.5250 6.5250 6.6120 6.6120 6.7429 6.7429 7.4167 7.4167 7.7391 7.7391 7.8400 7.8400 8.2074 8.2074 8.4612 8.4612 10.4349 10.4349 10.9635 10.9635 11.3343 11.3343 11.4074 11.4074 12.3622 12.3622 13.0423 13.0423 k = 0.2821 0.5000-0.0000 ( 5690 PWs) bands (ev): -18.1810 -18.1810 -17.7530 -17.7530 -17.7195 -17.7195 -7.9823 -7.9823 -5.1767 -5.1767 -4.8677 -4.8677 -4.6119 -4.6119 -3.8565 -3.8565 -3.7213 -3.7213 -3.1161 -3.1161 -2.6645 -2.6645 -2.5282 -2.5282 -2.4991 -2.4991 -2.2518 -2.2518 -1.8541 -1.8541 2.1422 2.1422 2.1556 2.1556 2.4449 2.4449 2.5101 2.5101 2.5262 2.5262 5.5498 5.5498 6.5618 6.5618 6.6500 6.6500 6.7492 6.7492 7.4690 7.4690 7.7488 7.7488 7.8658 7.8658 8.2664 8.2664 8.5045 8.5045 10.4362 10.4362 10.9042 10.9042 11.2709 11.2709 11.3350 11.3350 12.3234 12.3234 13.0580 13.0580 k = 0.2949 0.5000-0.0000 ( 5676 PWs) bands (ev): -18.1793 -18.1793 -17.7512 -17.7512 -17.7178 -17.7178 -7.9731 -7.9731 -5.1746 -5.1746 -4.8514 -4.8514 -4.6134 -4.6134 -3.8587 -3.8587 -3.7254 -3.7254 -3.1382 -3.1382 -2.6760 -2.6760 -2.5360 -2.5360 -2.5128 -2.5128 -2.2902 -2.2902 -1.8904 -1.8904 2.1434 2.1434 2.1562 2.1562 2.4458 2.4458 2.5112 2.5112 2.5239 2.5239 5.5821 5.5821 6.5971 6.5971 6.6878 6.6878 6.7555 6.7555 7.5194 7.5194 7.7582 7.7582 7.8901 7.8901 8.3240 8.3240 8.5478 8.5478 10.4374 10.4374 10.8478 10.8478 11.2101 11.2101 11.2661 11.2661 12.2886 12.2886 13.0709 13.0709 k = 0.3077 0.5000-0.0000 ( 5672 PWs) bands (ev): -18.1775 -18.1775 -17.7495 -17.7495 -17.7161 -17.7161 -7.9641 -7.9641 -5.1734 -5.1734 -4.8356 -4.8356 -4.6139 -4.6139 -3.8599 -3.8599 -3.7290 -3.7290 -3.1594 -3.1594 -2.6884 -2.6884 -2.5429 -2.5429 -2.5264 -2.5264 -2.3282 -2.3282 -1.9256 -1.9256 2.1445 2.1445 2.1567 2.1567 2.4466 2.4466 2.5119 2.5119 2.5221 2.5221 5.6146 5.6146 6.6310 6.6310 6.7249 6.7249 6.7620 6.7620 7.5675 7.5675 7.7674 7.7674 7.9125 7.9125 8.3796 8.3796 8.5910 8.5910 10.4384 10.4384 10.7948 10.7948 11.1522 11.1522 11.2007 11.2007 12.2574 12.2574 13.0811 13.0811 k = 0.3205 0.5000-0.0000 ( 5668 PWs) bands (ev): -18.1759 -18.1759 -17.7478 -17.7478 -17.7144 -17.7144 -7.9552 -7.9552 -5.1732 -5.1732 -4.8204 -4.8204 -4.6133 -4.6133 -3.8602 -3.8602 -3.7322 -3.7322 -3.1798 -3.1798 -2.7015 -2.7015 -2.5490 -2.5490 -2.5400 -2.5400 -2.3655 -2.3655 -1.9595 -1.9595 2.1456 2.1456 2.1571 2.1571 2.4474 2.4474 2.5118 2.5118 2.5212 2.5212 5.6472 5.6472 6.6633 6.6633 6.7577 6.7577 6.7718 6.7718 7.6129 7.6129 7.7765 7.7765 7.9329 7.9329 8.4328 8.4328 8.6337 8.6337 10.4393 10.4393 10.7454 10.7454 11.0973 11.0973 11.1391 11.1391 12.2297 12.2297 13.0888 13.0888 k = 0.3333 0.5000-0.0000 ( 5666 PWs) bands (ev): -18.1742 -18.1742 -17.7461 -17.7461 -17.7128 -17.7128 -7.9467 -7.9467 -5.1739 -5.1739 -4.8059 -4.8059 -4.6118 -4.6118 -3.8593 -3.8593 -3.7348 -3.7348 -3.1991 -3.1991 -2.7152 -2.7152 -2.5547 -2.5547 -2.5532 -2.5532 -2.4014 -2.4014 -1.9917 -1.9917 2.1466 2.1466 2.1574 2.1574 2.4480 2.4480 2.5110 2.5110 2.5212 2.5212 5.6797 5.6797 6.6939 6.6939 6.7703 6.7703 6.8003 6.8003 7.6554 7.6554 7.7854 7.7854 7.9513 7.9513 8.4833 8.4833 8.6759 8.6759 10.4403 10.4403 10.6999 10.6999 11.0457 11.0457 11.0813 11.0813 12.2054 12.2054 13.0941 13.0941 k = 0.3462 0.5000-0.0000 ( 5670 PWs) bands (ev): -18.1727 -18.1727 -17.7446 -17.7446 -17.7113 -17.7113 -7.9384 -7.9384 -5.1754 -5.1754 -4.7923 -4.7923 -4.6095 -4.6095 -3.8573 -3.8573 -3.7370 -3.7370 -3.2173 -3.2173 -2.7294 -2.7294 -2.5686 -2.5686 -2.5583 -2.5583 -2.4354 -2.4354 -2.0222 -2.0222 2.1476 2.1476 2.1577 2.1577 2.4486 2.4486 2.5096 2.5096 2.5218 2.5218 5.7118 5.7118 6.7228 6.7228 6.7765 6.7765 6.8334 6.8334 7.6944 7.6944 7.7940 7.7940 7.9677 7.9677 8.5306 8.5306 8.7170 8.7170 10.4412 10.4412 10.6585 10.6585 10.9973 10.9973 11.0274 11.0274 12.1840 12.1840 13.0974 13.0974 k = 0.3590 0.5000-0.0000 ( 5670 PWs) bands (ev): -18.1712 -18.1712 -17.7431 -17.7431 -17.7099 -17.7099 -7.9305 -7.9305 -5.1775 -5.1775 -4.7797 -4.7797 -4.6065 -4.6065 -3.8542 -3.8542 -3.7388 -3.7388 -3.2343 -3.2343 -2.7436 -2.7436 -2.5845 -2.5845 -2.5620 -2.5620 -2.4665 -2.4665 -2.0507 -2.0507 2.1485 2.1485 2.1579 2.1579 2.4492 2.4492 2.5080 2.5080 2.5227 2.5227 5.7432 5.7432 6.7498 6.7498 6.7819 6.7819 6.8651 6.8651 7.7297 7.7297 7.8026 7.8026 7.9822 7.9822 8.5745 8.5745 8.7569 8.7569 10.4422 10.4422 10.6213 10.6213 10.9524 10.9524 10.9775 10.9775 12.1655 12.1655 13.0989 13.0989 k = 0.3718 0.5000-0.0000 ( 5664 PWs) bands (ev): -18.1699 -18.1699 -17.7417 -17.7417 -17.7085 -17.7085 -7.9231 -7.9231 -5.1801 -5.1801 -4.7681 -4.7681 -4.6030 -4.6030 -3.8498 -3.8498 -3.7403 -3.7403 -3.2501 -3.2501 -2.7576 -2.7576 -2.6024 -2.6024 -2.5650 -2.5650 -2.4937 -2.4937 -2.0771 -2.0771 2.1493 2.1493 2.1580 2.1580 2.4497 2.4497 2.5064 2.5064 2.5238 2.5238 5.7736 5.7736 6.7745 6.7745 6.7872 6.7872 6.8948 6.8948 7.7607 7.7607 7.8111 7.8111 7.9951 7.9951 8.6149 8.6149 8.7952 8.7952 10.4432 10.4432 10.5884 10.5884 10.9111 10.9111 10.9316 10.9316 12.1494 12.1494 13.0988 13.0988 k = 0.3846 0.5000-0.0000 ( 5676 PWs) bands (ev): -18.1686 -18.1686 -17.7404 -17.7404 -17.7073 -17.7073 -7.9161 -7.9161 -5.1831 -5.1831 -4.7576 -4.7576 -4.5993 -4.5993 -3.8443 -3.8443 -3.7415 -3.7415 -3.2645 -3.2645 -2.7712 -2.7712 -2.6229 -2.6229 -2.5675 -2.5675 -2.5162 -2.5162 -2.1011 -2.1011 2.1501 2.1501 2.1581 2.1581 2.4501 2.4501 2.5049 2.5049 2.5248 2.5248 5.8027 5.8027 6.7898 6.7898 6.7995 6.7995 6.9222 6.9222 7.7867 7.7867 7.8202 7.8202 8.0065 8.0065 8.6517 8.6517 8.8314 8.8314 10.4443 10.4443 10.5595 10.5595 10.8734 10.8734 10.8899 10.8899 12.1357 12.1357 13.0976 13.0976 k = 0.3974 0.5000-0.0000 ( 5678 PWs) bands (ev): -18.1675 -18.1675 -17.7392 -17.7392 -17.7061 -17.7061 -7.9098 -7.9098 -5.1863 -5.1863 -4.7482 -4.7482 -4.5954 -4.5954 -3.8378 -3.8378 -3.7426 -3.7426 -3.2776 -3.2776 -2.7838 -2.7838 -2.6457 -2.6457 -2.5697 -2.5697 -2.5339 -2.5339 -2.1227 -2.1227 2.1507 2.1507 2.1582 2.1582 2.4505 2.4505 2.5035 2.5035 2.5257 2.5257 5.8301 5.8301 6.7945 6.7945 6.8197 6.8197 6.9470 6.9470 7.8063 7.8063 7.8310 7.8310 8.0169 8.0169 8.6846 8.6846 8.8650 8.8650 10.4455 10.4455 10.5347 10.5347 10.8394 10.8394 10.8524 10.8524 12.1240 12.1240 13.0954 13.0954 k = 0.4103 0.5000-0.0000 ( 5682 PWs) bands (ev): -18.1664 -18.1664 -17.7382 -17.7382 -17.7051 -17.7051 -7.9040 -7.9040 -5.1895 -5.1895 -4.7401 -4.7401 -4.5916 -4.5916 -3.8303 -3.8303 -3.7438 -3.7438 -3.2893 -3.2893 -2.7950 -2.7950 -2.6701 -2.6701 -2.5717 -2.5717 -2.5472 -2.5472 -2.1419 -2.1419 2.1513 2.1513 2.1582 2.1582 2.4508 2.4508 2.5023 2.5023 2.5267 2.5267 5.8555 5.8555 6.7982 6.7982 6.8382 6.8382 6.9690 6.9690 7.8188 7.8188 7.8441 7.8441 8.0263 8.0263 8.7138 8.7138 8.8958 8.8958 10.4467 10.4467 10.5136 10.5136 10.8093 10.8093 10.8192 10.8192 12.1142 12.1142 13.0926 13.0926 k = 0.4231 0.5000-0.0000 ( 5680 PWs) bands (ev): -18.1655 -18.1655 -17.7373 -17.7373 -17.7042 -17.7042 -7.8989 -7.8989 -5.1926 -5.1926 -4.7330 -4.7330 -4.5880 -4.5880 -3.8222 -3.8222 -3.7454 -3.7454 -3.2996 -3.2996 -2.8046 -2.8046 -2.6947 -2.6947 -2.5737 -2.5737 -2.5568 -2.5568 -2.1586 -2.1586 2.1519 2.1519 2.1582 2.1582 2.4510 2.4510 2.5012 2.5012 2.5275 2.5275 5.8784 5.8784 6.8014 6.8014 6.8544 6.8544 6.9883 6.9883 7.8267 7.8267 7.8572 7.8572 8.0349 8.0349 8.7391 8.7391 8.9233 8.9233 10.4478 10.4478 10.4961 10.4961 10.7830 10.7830 10.7903 10.7903 12.1060 12.1060 13.0896 13.0896 k = 0.4359 0.5000-0.0000 ( 5668 PWs) bands (ev): -18.1647 -18.1647 -17.7365 -17.7365 -17.7034 -17.7034 -7.8945 -7.8945 -5.1955 -5.1955 -4.7271 -4.7271 -4.5847 -4.5847 -3.8135 -3.8135 -3.7473 -3.7473 -3.3083 -3.3083 -2.8120 -2.8120 -2.7186 -2.7186 -2.5762 -2.5762 -2.5633 -2.5633 -2.1727 -2.1727 2.1524 2.1524 2.1582 2.1582 2.4513 2.4513 2.5002 2.5002 2.5282 2.5282 5.8987 5.8987 6.8042 6.8042 6.8683 6.8683 7.0047 7.0047 7.8324 7.8324 7.8682 7.8682 8.0426 8.0426 8.7605 8.7605 8.9472 8.9472 10.4490 10.4490 10.4819 10.4819 10.7607 10.7607 10.7659 10.7659 12.0994 12.0994 13.0864 13.0864 k = 0.4487 0.5000-0.0000 ( 5684 PWs) bands (ev): -18.1641 -18.1641 -17.7358 -17.7358 -17.7028 -17.7028 -7.8909 -7.8909 -5.1980 -5.1980 -4.7224 -4.7224 -4.5818 -4.5818 -3.8047 -3.8047 -3.7500 -3.7500 -3.3155 -3.3155 -2.8168 -2.8168 -2.7410 -2.7410 -2.5791 -2.5791 -2.5671 -2.5671 -2.1842 -2.1842 2.1527 2.1527 2.1582 2.1582 2.4515 2.4515 2.4994 2.4994 2.5288 2.5288 5.9158 5.9158 6.8064 6.8064 6.8796 6.8796 7.0181 7.0181 7.8367 7.8367 7.8767 7.8767 8.0494 8.0494 8.7781 8.7781 8.9671 8.9671 10.4500 10.4500 10.4707 10.4707 10.7423 10.7423 10.7458 10.7458 12.0941 12.0941 13.0835 13.0835 k = 0.4615 0.5000-0.0000 ( 5700 PWs) bands (ev): -18.1636 -18.1636 -17.7353 -17.7353 -17.7023 -17.7023 -7.8880 -7.8880 -5.2000 -5.2000 -4.7187 -4.7187 -4.5796 -4.5796 -3.7959 -3.7959 -3.7534 -3.7534 -3.3212 -3.3212 -2.8188 -2.8188 -2.7611 -2.7611 -2.5821 -2.5821 -2.5691 -2.5691 -2.1931 -2.1931 2.1530 2.1530 2.1581 2.1581 2.4516 2.4516 2.4988 2.4988 2.5293 2.5293 5.9294 5.9294 6.8082 6.8082 6.8884 6.8884 7.0286 7.0286 7.8399 7.8399 7.8828 7.8828 8.0550 8.0550 8.7918 8.7918 8.9828 8.9828 10.4508 10.4508 10.4623 10.4623 10.7279 10.7279 10.7303 10.7303 12.0901 12.0901 13.0810 13.0810 k = 0.4744 0.5000-0.0000 ( 5700 PWs) bands (ev): -18.1632 -18.1632 -17.7349 -17.7349 -17.7019 -17.7019 -7.8860 -7.8860 -5.2016 -5.2016 -4.7161 -4.7161 -4.5779 -4.5779 -3.7875 -3.7875 -3.7577 -3.7577 -3.3252 -3.3252 -2.8177 -2.8177 -2.7786 -2.7786 -2.5845 -2.5845 -2.5701 -2.5701 -2.1995 -2.1995 2.1532 2.1532 2.1581 2.1581 2.4517 2.4517 2.4984 2.4984 2.5296 2.5296 5.9394 5.9394 6.8094 6.8094 6.8947 6.8947 7.0361 7.0361 7.8422 7.8422 7.8868 7.8868 8.0592 8.0592 8.8016 8.8016 8.9942 8.9942 10.4514 10.4514 10.4565 10.4565 10.7175 10.7175 10.7193 10.7193 12.0873 12.0873 13.0790 13.0790 k = 0.4872 0.5000-0.0000 ( 5700 PWs) bands (ev): -18.1630 -18.1630 -17.7347 -17.7347 -17.7017 -17.7017 -7.8847 -7.8847 -5.2025 -5.2025 -4.7146 -4.7146 -4.5769 -4.5769 -3.7802 -3.7802 -3.7624 -3.7624 -3.3277 -3.3277 -2.8135 -2.8135 -2.7928 -2.7928 -2.5859 -2.5859 -2.5706 -2.5706 -2.2034 -2.2034 2.1533 2.1533 2.1581 2.1581 2.4517 2.4517 2.4981 2.4981 2.5298 2.5298 5.9455 5.9455 6.8102 6.8102 6.8985 6.8985 7.0406 7.0406 7.8435 7.8435 7.8891 7.8891 8.0618 8.0618 8.8075 8.8075 9.0011 9.0011 10.4515 10.4515 10.4534 10.4534 10.7111 10.7111 10.7128 10.7128 12.0857 12.0857 13.0778 13.0778 k = 0.5000 0.5000-0.0000 ( 5704 PWs) bands (ev): -18.1629 -18.1629 -17.7346 -17.7346 -17.7016 -17.7016 -7.8843 -7.8843 -5.2028 -5.2028 -4.7140 -4.7140 -4.5765 -4.5765 -3.7763 -3.7763 -3.7653 -3.7653 -3.3285 -3.3285 -2.8086 -2.8086 -2.8010 -2.8010 -2.5864 -2.5864 -2.5707 -2.5707 -2.2047 -2.2047 2.1533 2.1533 2.1581 2.1581 2.4518 2.4518 2.4980 2.4980 2.5298 2.5298 5.9475 5.9475 6.8105 6.8105 6.8998 6.8998 7.0421 7.0421 7.8439 7.8439 7.8898 7.8898 8.0627 8.0627 8.8095 8.8095 9.0034 9.0034 10.4511 10.4511 10.4527 10.4527 10.7090 10.7090 10.7106 10.7106 12.0851 12.0851 13.0774 13.0774 k = 0.5000 0.5000-0.0000 ( 5704 PWs) bands (ev): -18.1629 -18.1629 -17.7346 -17.7346 -17.7016 -17.7016 -7.8843 -7.8843 -5.2028 -5.2028 -4.7140 -4.7140 -4.5765 -4.5765 -3.7763 -3.7763 -3.7653 -3.7653 -3.3285 -3.3285 -2.8086 -2.8086 -2.8010 -2.8010 -2.5864 -2.5864 -2.5707 -2.5707 -2.2047 -2.2047 2.1533 2.1533 2.1581 2.1581 2.4518 2.4518 2.4980 2.4980 2.5298 2.5298 5.9475 5.9475 6.8105 6.8105 6.8998 6.8998 7.0421 7.0421 7.8439 7.8439 7.8898 7.8898 8.0627 8.0627 8.8095 8.8095 9.0034 9.0034 10.4511 10.4511 10.4527 10.4527 10.7090 10.7090 10.7106 10.7106 12.0851 12.0851 13.0774 13.0774 k = 0.4909 0.4909-0.0000 ( 5696 PWs) bands (ev): -18.1630 -18.1630 -17.7347 -17.7347 -17.7017 -17.7017 -7.8847 -7.8847 -5.2025 -5.2025 -4.7146 -4.7146 -4.5769 -4.5769 -3.7802 -3.7802 -3.7624 -3.7624 -3.3277 -3.3277 -2.8135 -2.8135 -2.7927 -2.7927 -2.5859 -2.5859 -2.5706 -2.5706 -2.2034 -2.2034 2.1533 2.1533 2.1581 2.1581 2.4518 2.4518 2.4981 2.4981 2.5298 2.5298 5.9455 5.9455 6.8102 6.8102 6.8985 6.8985 7.0406 7.0406 7.8435 7.8435 7.8891 7.8891 8.0618 8.0618 8.8075 8.8075 9.0011 9.0011 10.4517 10.4517 10.4532 10.4532 10.7106 10.7106 10.7133 10.7133 12.0857 12.0857 13.0778 13.0778 k = 0.4818 0.4818-0.0000 ( 5696 PWs) bands (ev): -18.1632 -18.1632 -17.7349 -17.7349 -17.7019 -17.7019 -7.8860 -7.8860 -5.2016 -5.2016 -4.7161 -4.7161 -4.5779 -4.5779 -3.7876 -3.7876 -3.7576 -3.7576 -3.3252 -3.3252 -2.8177 -2.8177 -2.7786 -2.7786 -2.5844 -2.5844 -2.5701 -2.5701 -2.1995 -2.1995 2.1532 2.1532 2.1581 2.1581 2.4517 2.4517 2.4984 2.4984 2.5296 2.5296 5.9394 5.9394 6.8094 6.8094 6.8946 6.8946 7.0362 7.0362 7.8422 7.8422 7.8868 7.8868 8.0592 8.0592 8.8014 8.8014 8.9945 8.9945 10.4530 10.4530 10.4550 10.4550 10.7140 10.7140 10.7228 10.7228 12.0873 12.0873 13.0791 13.0791 k = 0.4727 0.4727-0.0000 ( 5700 PWs) bands (ev): -18.1636 -18.1636 -17.7353 -17.7353 -17.7023 -17.7023 -7.8880 -7.8880 -5.2000 -5.2000 -4.7187 -4.7187 -4.5795 -4.5795 -3.7961 -3.7961 -3.7533 -3.7533 -3.3211 -3.3211 -2.8188 -2.8188 -2.7614 -2.7614 -2.5816 -2.5816 -2.5693 -2.5693 -2.1930 -2.1930 2.1530 2.1530 2.1581 2.1581 2.4516 2.4516 2.4988 2.4988 2.5293 2.5293 5.9293 5.9293 6.8082 6.8082 6.8877 6.8877 7.0294 7.0294 7.8400 7.8400 7.8827 7.8827 8.0550 8.0550 8.7906 8.7906 8.9841 8.9841 10.4548 10.4548 10.4585 10.4585 10.7194 10.7194 10.7390 10.7390 12.0901 12.0901 13.0810 13.0810 k = 0.4636 0.4636-0.0000 ( 5684 PWs) bands (ev): -18.1641 -18.1641 -17.7358 -17.7358 -17.7028 -17.7028 -7.8909 -7.8909 -5.1980 -5.1980 -4.7222 -4.7222 -4.5817 -4.5817 -3.8052 -3.8052 -3.7497 -3.7497 -3.3154 -3.3154 -2.8169 -2.8169 -2.7419 -2.7419 -2.5773 -2.5773 -2.5681 -2.5681 -2.1840 -2.1840 2.1527 2.1527 2.1582 2.1582 2.4515 2.4515 2.4994 2.4994 2.5288 2.5288 5.9156 5.9156 6.8064 6.8064 6.8773 6.8773 7.0209 7.0209 7.8369 7.8369 7.8766 7.8766 8.0495 8.0495 8.7746 8.7746 8.9713 8.9713 10.4576 10.4576 10.4637 10.4637 10.7269 10.7269 10.7615 10.7615 12.0938 12.0938 13.0836 13.0836 k = 0.4545 0.4545-0.0000 ( 5676 PWs) bands (ev): -18.1648 -18.1648 -17.7365 -17.7365 -17.7035 -17.7035 -7.8944 -7.8944 -5.1955 -5.1955 -4.7266 -4.7266 -4.5843 -4.5843 -3.8146 -3.8146 -3.7470 -3.7470 -3.3082 -3.3082 -2.8123 -2.8123 -2.7211 -2.7211 -2.5713 -2.5713 -2.5661 -2.5661 -2.1722 -2.1722 2.1523 2.1523 2.1582 2.1582 2.4513 2.4513 2.5002 2.5002 2.5282 2.5282 5.8984 5.8984 6.8042 6.8042 6.8630 6.8630 7.0113 7.0113 7.8331 7.8331 7.8679 7.8679 8.0430 8.0430 8.7524 8.7524 8.9571 8.9571 10.4616 10.4616 10.4704 10.4704 10.7366 10.7366 10.7904 10.7904 12.0987 12.0987 13.0868 13.0868 k = 0.4455 0.4455-0.0000 ( 5678 PWs) bands (ev): -18.1656 -18.1656 -17.7373 -17.7373 -17.7043 -17.7043 -7.8986 -7.8986 -5.1926 -5.1926 -4.7319 -4.7319 -4.5872 -4.5872 -3.8239 -3.8239 -3.7448 -3.7448 -3.2994 -3.2994 -2.8054 -2.8054 -2.7000 -2.7000 -2.5654 -2.5654 -2.5608 -2.5608 -2.1578 -2.1578 2.1519 2.1519 2.1582 2.1582 2.4511 2.4511 2.5011 2.5011 2.5275 2.5275 5.8780 5.8780 6.8015 6.8015 6.8442 6.8442 7.0015 7.0015 7.8283 7.8283 7.8561 7.8561 8.0362 8.0362 8.7235 8.7235 8.9428 8.9428 10.4674 10.4674 10.4788 10.4788 10.7484 10.7484 10.8255 10.8255 12.1046 12.1046 13.0903 13.0903 k = 0.4364 0.4364-0.0000 ( 5672 PWs) bands (ev): -18.1666 -18.1666 -17.7382 -17.7382 -17.7052 -17.7052 -7.9035 -7.9035 -5.1895 -5.1895 -4.7379 -4.7379 -4.5902 -4.5902 -3.8330 -3.8330 -3.7432 -3.7432 -3.2891 -3.2891 -2.7969 -2.7969 -2.6801 -2.6801 -2.5620 -2.5620 -2.5484 -2.5484 -2.1407 -2.1407 2.1514 2.1514 2.1582 2.1582 2.4509 2.4509 2.5022 2.5022 2.5267 2.5267 5.8549 5.8549 6.7982 6.7982 6.8209 6.8209 6.9922 6.9922 7.8221 7.8221 7.8413 7.8413 8.0294 8.0294 8.6878 8.6878 8.9291 8.9291 10.4750 10.4750 10.4887 10.4887 10.7623 10.7623 10.8667 10.8667 12.1118 12.1118 13.0943 13.0943 k = 0.4273 0.4273-0.0000 ( 5676 PWs) bands (ev): -18.1677 -18.1677 -17.7393 -17.7393 -17.7063 -17.7063 -7.9088 -7.9088 -5.1862 -5.1862 -4.7446 -4.7446 -4.5931 -4.5931 -3.8418 -3.8418 -3.7420 -3.7420 -3.2774 -3.2774 -2.7871 -2.7871 -2.6628 -2.6628 -2.5583 -2.5583 -2.5308 -2.5308 -2.1209 -2.1209 2.1507 2.1507 2.1581 2.1581 2.4506 2.4506 2.5033 2.5033 2.5258 2.5258 5.8294 5.8294 6.7897 6.7897 6.7978 6.7978 6.9836 6.9836 7.8115 7.8115 7.8260 7.8260 8.0233 8.0233 8.6457 8.6457 8.9166 8.9166 10.4847 10.4847 10.5003 10.5003 10.7783 10.7783 10.9139 10.9139 12.1202 12.1202 13.0985 13.0985 k = 0.4182 0.4182-0.0000 ( 5670 PWs) bands (ev): -18.1690 -18.1690 -17.7405 -17.7405 -17.7075 -17.7075 -7.9145 -7.9145 -5.1829 -5.1829 -4.7519 -4.7519 -4.5958 -4.5958 -3.8499 -3.8499 -3.7411 -3.7411 -3.2644 -3.2644 -2.7766 -2.7766 -2.6486 -2.6486 -2.5538 -2.5538 -2.5080 -2.5080 -2.0986 -2.0986 2.1500 2.1500 2.1580 2.1580 2.4502 2.4502 2.5046 2.5046 2.5248 2.5248 5.8020 5.8020 6.7592 6.7592 6.7923 6.7923 6.9758 6.9758 7.7903 7.7903 7.8162 7.8162 8.0182 8.0182 8.5980 8.5980 8.9050 8.9050 10.4965 10.4965 10.5136 10.5136 10.7963 10.7963 10.9669 10.9669 12.1302 12.1302 13.1030 13.1030 k = 0.4091 0.4091-0.0000 ( 5672 PWs) bands (ev): -18.1704 -18.1704 -17.7418 -17.7418 -17.7088 -17.7088 -7.9206 -7.9206 -5.1797 -5.1797 -4.7595 -4.7595 -4.5981 -4.5981 -3.8574 -3.8574 -3.7402 -3.7402 -3.2502 -3.2502 -2.7659 -2.7659 -2.6375 -2.6375 -2.5484 -2.5484 -2.4806 -2.4806 -2.0738 -2.0738 2.1492 2.1492 2.1579 2.1579 2.4499 2.4499 2.5059 2.5059 2.5238 2.5238 5.7729 5.7729 6.7235 6.7235 6.7882 6.7882 6.9687 6.9687 7.7616 7.7616 7.8089 7.8089 8.0143 8.0143 8.5457 8.5457 8.8944 8.8944 10.5102 10.5102 10.5286 10.5286 10.8165 10.8165 11.0256 11.0256 12.1420 12.1420 13.1078 13.1078 k = 0.4000 0.4000-0.0000 ( 5682 PWs) bands (ev): -18.1720 -18.1720 -17.7432 -17.7432 -17.7103 -17.7103 -7.9270 -7.9270 -5.1766 -5.1766 -4.7675 -4.7675 -4.5999 -4.5999 -3.8640 -3.8640 -3.7393 -3.7393 -3.2350 -3.2350 -2.7554 -2.7554 -2.6289 -2.6289 -2.5421 -2.5421 -2.4497 -2.4497 -2.0467 -2.0467 2.1483 2.1483 2.1577 2.1577 2.4495 2.4495 2.5071 2.5071 2.5228 2.5228 5.7427 5.7427 6.6847 6.6847 6.7839 6.7839 6.9621 6.9621 7.7278 7.7278 7.8021 7.8021 8.0116 8.0116 8.4899 8.4899 8.8844 8.8844 10.5255 10.5255 10.5453 10.5453 10.8387 10.8387 11.0898 11.0898 12.1561 12.1561 13.1130 13.1130 k = 0.3909 0.3909-0.0000 ( 5686 PWs) bands (ev): -18.1737 -18.1737 -17.7447 -17.7447 -17.7119 -17.7119 -7.9334 -7.9334 -5.1738 -5.1738 -4.7756 -4.7756 -4.6009 -4.6009 -3.8698 -3.8698 -3.7383 -3.7383 -3.2188 -3.2188 -2.7453 -2.7453 -2.6218 -2.6218 -2.5347 -2.5347 -2.4162 -2.4162 -2.0176 -2.0176 2.1474 2.1474 2.1574 2.1574 2.4491 2.4491 2.5083 2.5083 2.5220 2.5220 5.7117 5.7117 6.6436 6.6436 6.7796 6.7796 6.9561 6.9561 7.6901 7.6901 7.7954 7.7954 8.0101 8.0101 8.4317 8.4317 8.8749 8.8749 10.5421 10.5421 10.5637 10.5637 10.8630 10.8630 11.1592 11.1592 12.1727 12.1727 13.1185 13.1185 k = 0.3818 0.3818-0.0000 ( 5684 PWs) bands (ev): -18.1756 -18.1756 -17.7463 -17.7463 -17.7136 -17.7136 -7.9399 -7.9399 -5.1713 -5.1713 -4.7837 -4.7837 -4.6012 -4.6012 -3.8748 -3.8748 -3.7371 -3.7371 -3.2019 -3.2019 -2.7360 -2.7360 -2.6156 -2.6156 -2.5263 -2.5263 -2.3812 -2.3812 -1.9867 -1.9867 2.1464 2.1464 2.1571 2.1571 2.4487 2.4487 2.5091 2.5091 2.5214 2.5214 5.6802 5.6802 6.6011 6.6011 6.7752 6.7752 6.9504 6.9504 7.6491 7.6491 7.7888 7.7888 8.0095 8.0095 8.3719 8.3719 8.8657 8.8657 10.5594 10.5594 10.5839 10.5839 10.8893 10.8893 11.2338 11.2338 12.1925 12.1925 13.1245 13.1245 k = 0.3727 0.3727-0.0000 ( 5692 PWs) bands (ev): -18.1776 -18.1776 -17.7479 -17.7479 -17.7154 -17.7154 -7.9464 -7.9464 -5.1691 -5.1691 -4.7917 -4.7917 -4.6005 -4.6005 -3.8789 -3.8789 -3.7356 -3.7356 -3.1845 -3.1845 -2.7275 -2.7275 -2.6101 -2.6101 -2.5169 -2.5169 -2.3453 -2.3453 -1.9544 -1.9544 2.1453 2.1453 2.1567 2.1567 2.4483 2.4483 2.5095 2.5095 2.5213 2.5213 5.6487 5.6487 6.5578 6.5578 6.7706 6.7706 6.9449 6.9449 7.6056 7.6056 7.7823 7.7823 8.0098 8.0098 8.3116 8.3116 8.8569 8.8569 10.5767 10.5767 10.6057 10.6057 10.9175 10.9175 11.3133 11.3133 12.2158 12.2158 13.1309 13.1309 k = 0.3636 0.3636-0.0000 ( 5686 PWs) bands (ev): -18.1798 -18.1798 -17.7497 -17.7497 -17.7173 -17.7173 -7.9528 -7.9528 -5.1673 -5.1673 -4.7993 -4.7993 -4.5988 -4.5988 -3.8821 -3.8821 -3.7339 -3.7339 -3.1667 -3.1667 -2.7197 -2.7197 -2.6048 -2.6048 -2.5066 -2.5066 -2.3092 -2.3092 -1.9211 -1.9211 2.1442 2.1442 2.1562 2.1562 2.4480 2.4480 2.5093 2.5093 2.5217 2.5217 5.6173 5.6173 6.5142 6.5142 6.7661 6.7661 6.9397 6.9397 7.5605 7.5605 7.7760 7.7760 8.0109 8.0109 8.2515 8.2515 8.8484 8.8484 10.5933 10.5933 10.6293 10.6293 10.9478 10.9478 11.3974 11.3974 12.2431 12.2431 13.1378 13.1378 k = 0.3545 0.3545-0.0000 ( 5688 PWs) bands (ev): -18.1821 -18.1821 -17.7515 -17.7515 -17.7194 -17.7194 -7.9588 -7.9588 -5.1657 -5.1657 -4.8065 -4.8065 -4.5962 -4.5962 -3.8845 -3.8845 -3.7318 -3.7318 -3.1487 -3.1487 -2.7126 -2.7126 -2.5996 -2.5996 -2.4954 -2.4954 -2.2732 -2.2732 -1.8872 -1.8872 2.1429 2.1429 2.1557 2.1557 2.4476 2.4476 2.5086 2.5086 2.5225 2.5225 5.5865 5.5865 6.4710 6.4710 6.7616 6.7616 6.9346 6.9346 7.5144 7.5144 7.7700 7.7700 8.0126 8.0126 8.1924 8.1924 8.8401 8.8401 10.6084 10.6084 10.6548 10.6548 10.9799 10.9799 11.4860 11.4860 12.2747 12.2747 13.1451 13.1451 k = 0.3455 0.3455-0.0000 ( 5692 PWs) bands (ev): -18.1846 -18.1846 -17.7533 -17.7533 -17.7215 -17.7215 -7.9646 -7.9646 -5.1645 -5.1645 -4.8131 -4.8131 -4.5925 -4.5925 -3.8862 -3.8862 -3.7295 -3.7295 -3.1308 -3.1308 -2.7060 -2.7060 -2.5944 -2.5944 -2.4836 -2.4836 -2.2379 -2.2379 -1.8530 -1.8530 2.1417 2.1417 2.1551 2.1551 2.4472 2.4472 2.5075 2.5075 2.5237 2.5237 5.5565 5.5565 6.4287 6.4287 6.7571 6.7571 6.9298 6.9298 7.4684 7.4684 7.7644 7.7644 8.0149 8.0149 8.1351 8.1351 8.8321 8.8321 10.6214 10.6214 10.6822 10.6822 11.0138 11.0138 11.5788 11.5788 12.3107 12.3107 13.1527 13.1527 k = 0.3364 0.3364-0.0000 ( 5688 PWs) bands (ev): -18.1872 -18.1872 -17.7552 -17.7552 -17.7237 -17.7237 -7.9700 -7.9700 -5.1634 -5.1634 -4.8189 -4.8189 -4.5879 -4.5879 -3.8871 -3.8871 -3.7268 -3.7268 -3.1132 -3.1132 -2.6999 -2.6999 -2.5892 -2.5892 -2.4712 -2.4712 -2.2034 -2.2034 -1.8191 -1.8191 2.1404 2.1404 2.1544 2.1544 2.4469 2.4469 2.5061 2.5061 2.5250 2.5250 5.5275 5.5275 6.3877 6.3877 6.7528 6.7528 6.9251 6.9251 7.4231 7.4231 7.7593 7.7593 8.0175 8.0175 8.0803 8.0803 8.8244 8.8244 10.6318 10.6318 10.7115 10.7115 11.0496 11.0496 11.6756 11.6756 12.3510 12.3510 13.1605 13.1605 k = 0.3273 0.3273-0.0000 ( 5676 PWs) bands (ev): -18.1900 -18.1900 -17.7572 -17.7572 -17.7260 -17.7260 -7.9749 -7.9749 -5.1625 -5.1625 -4.8239 -4.8239 -4.5824 -4.5824 -3.8874 -3.8874 -3.7238 -3.7238 -3.0960 -3.0960 -2.6940 -2.6940 -2.5839 -2.5839 -2.4583 -2.4583 -2.1702 -2.1702 -1.7859 -1.7859 2.1390 2.1390 2.1537 2.1537 2.4466 2.4466 2.5045 2.5045 2.5263 2.5263 5.4997 5.4997 6.3486 6.3486 6.7486 6.7486 6.9207 6.9207 7.3794 7.3794 7.7547 7.7547 8.0173 8.0173 8.0318 8.0318 8.8170 8.8170 10.6392 10.6392 10.7428 10.7428 11.0871 11.0871 11.7762 11.7762 12.3955 12.3955 13.1684 13.1684 k = 0.3182 0.3182-0.0000 ( 5686 PWs) bands (ev): -18.1929 -18.1929 -17.7591 -17.7591 -17.7284 -17.7284 -7.9793 -7.9793 -5.1616 -5.1616 -4.8279 -4.8279 -4.5760 -4.5760 -3.8872 -3.8872 -3.7205 -3.7205 -3.0795 -3.0795 -2.6883 -2.6883 -2.5785 -2.5785 -2.4450 -2.4450 -2.1385 -2.1385 -1.7538 -1.7538 2.1376 2.1376 2.1530 2.1530 2.4464 2.4464 2.5028 2.5028 2.5275 2.5275 5.4733 5.4733 6.3118 6.3118 6.7446 6.7446 6.9165 6.9165 7.3380 7.3380 7.7509 7.7509 7.9778 7.9778 8.0266 8.0266 8.8101 8.8101 10.6434 10.6434 10.7761 10.7761 11.1263 11.1263 11.8803 11.8803 12.4434 12.4434 13.1761 13.1761 k = 0.3091 0.3091-0.0000 ( 5678 PWs) bands (ev): -18.1959 -18.1959 -17.7611 -17.7611 -17.7308 -17.7308 -7.9831 -7.9831 -5.1606 -5.1606 -4.8308 -4.8308 -4.5689 -4.5689 -3.8864 -3.8864 -3.7169 -3.7169 -3.0637 -3.0637 -2.6826 -2.6826 -2.5731 -2.5731 -2.4313 -2.4313 -2.1086 -2.1086 -1.7231 -1.7231 2.1363 2.1363 2.1522 2.1522 2.4462 2.4462 2.5011 2.5011 2.5285 2.5285 5.4485 5.4485 6.2776 6.2776 6.7408 6.7408 6.9125 6.9125 7.2995 7.2995 7.7478 7.7478 7.9336 7.9336 8.0307 8.0307 8.8036 8.8036 10.6446 10.6446 10.8112 10.8112 11.1672 11.1672 11.9876 11.9876 12.4941 12.4941 13.0906 13.0906 k = 0.3000 0.3000-0.0000 ( 5680 PWs) bands (ev): -18.1991 -18.1991 -17.7630 -17.7630 -17.7334 -17.7334 -7.9863 -7.9863 -5.1596 -5.1596 -4.8326 -4.8326 -4.5610 -4.5610 -3.8852 -3.8852 -3.7131 -3.7131 -3.0487 -3.0487 -2.6770 -2.6770 -2.5675 -2.5675 -2.4175 -2.4175 -2.0806 -2.0806 -1.6943 -1.6943 2.1349 2.1349 2.1514 2.1514 2.4461 2.4461 2.4993 2.4993 2.5292 2.5292 5.4253 5.4253 6.2464 6.2464 6.7373 6.7373 6.9089 6.9089 7.2648 7.2648 7.7455 7.7455 7.8934 7.8934 8.0356 8.0356 8.7977 8.7977 10.6427 10.6427 10.8482 10.8482 11.2095 11.2095 12.0978 12.0978 12.5465 12.5465 12.9482 12.9482 k = 0.2909 0.2909-0.0000 ( 5684 PWs) bands (ev): -18.2023 -18.2023 -17.7650 -17.7650 -17.7359 -17.7359 -7.9888 -7.9888 -5.1583 -5.1583 -4.8332 -4.8332 -4.5525 -4.5525 -3.8837 -3.8837 -3.7090 -3.7090 -3.0347 -3.0347 -2.6714 -2.6714 -2.5620 -2.5620 -2.4035 -2.4035 -2.0548 -2.0548 -1.6676 -1.6676 2.1335 2.1335 2.1505 2.1505 2.4460 2.4460 2.4975 2.4975 2.5296 2.5296 5.4039 5.4039 6.2185 6.2185 6.7341 6.7341 6.9055 6.9055 7.2344 7.2344 7.7441 7.7441 7.8578 7.8578 8.0411 8.0411 8.7923 8.7923 10.6379 10.6379 10.8869 10.8869 11.2532 11.2532 12.2107 12.2107 12.5992 12.5992 12.8066 12.8066 k = 0.2818 0.2818-0.0000 ( 5684 PWs) bands (ev): -18.2057 -18.2057 -17.7670 -17.7670 -17.7385 -17.7385 -7.9906 -7.9906 -5.1568 -5.1568 -4.8324 -4.8324 -4.5434 -4.5434 -3.8818 -3.8818 -3.7048 -3.7048 -3.0216 -3.0216 -2.6658 -2.6658 -2.5564 -2.5564 -2.3894 -2.3894 -2.0313 -2.0313 -1.6435 -1.6435 2.1322 2.1322 2.1496 2.1496 2.4460 2.4460 2.4957 2.4957 2.5296 2.5296 5.3842 5.3842 6.1942 6.1942 6.7311 6.7311 6.9025 6.9025 7.2088 7.2088 7.7437 7.7437 7.8273 7.8273 8.0472 8.0472 8.7877 8.7877 10.6307 10.6307 10.9272 10.9272 11.2982 11.2982 12.3257 12.3257 12.6473 12.6473 12.6698 12.6698 k = 0.2727 0.2727-0.0000 ( 5682 PWs) bands (ev): -18.2091 -18.2091 -17.7689 -17.7689 -17.7412 -17.7412 -7.9916 -7.9916 -5.1549 -5.1549 -4.8303 -4.8303 -4.5339 -4.5339 -3.8797 -3.8797 -3.7004 -3.7004 -3.0094 -3.0094 -2.6603 -2.6603 -2.5508 -2.5508 -2.3754 -2.3754 -2.0102 -2.0102 -1.6222 -1.6222 2.1310 2.1310 2.1488 2.1488 2.4461 2.4461 2.4940 2.4940 2.5293 2.5293 5.3664 5.3664 6.1738 6.1738 6.7285 6.7285 6.8999 6.8999 7.1886 7.1886 7.7443 7.7443 7.8023 7.8023 8.0538 8.0538 8.7837 8.7837 10.6212 10.6212 10.9689 10.9689 11.3443 11.3443 12.4425 12.4425 12.5260 12.5260 12.7016 12.7016 k = 0.2636 0.2636-0.0000 ( 5680 PWs) bands (ev): -18.2127 -18.2127 -17.7709 -17.7709 -17.7439 -17.7439 -7.9919 -7.9919 -5.1526 -5.1526 -4.8267 -4.8267 -4.5240 -4.5240 -3.8774 -3.8774 -3.6958 -3.6958 -2.9980 -2.9980 -2.6551 -2.6551 -2.5453 -2.5453 -2.3614 -2.3614 -1.9917 -1.9917 -1.6039 -1.6039 2.1298 2.1298 2.1479 2.1479 2.4462 2.4462 2.4923 2.4923 2.5285 2.5285 5.3503 5.3503 6.1575 6.1575 6.7263 6.7263 6.8977 6.8977 7.1742 7.1742 7.7453 7.7453 7.7834 7.7834 8.0611 8.0611 8.7805 8.7805 10.6099 10.6099 11.0119 11.0119 11.3914 11.3914 12.3885 12.3885 12.5610 12.5610 12.7471 12.7471 k = 0.2545 0.2545-0.0000 ( 5676 PWs) bands (ev): -18.2163 -18.2163 -17.7727 -17.7727 -17.7466 -17.7466 -7.9914 -7.9914 -5.1499 -5.1499 -4.8218 -4.8218 -4.5137 -4.5137 -3.8750 -3.8750 -3.6912 -3.6912 -2.9875 -2.9875 -2.6503 -2.6503 -2.5398 -2.5398 -2.3475 -2.3475 -1.9759 -1.9759 -1.5888 -1.5888 2.1287 2.1287 2.1470 2.1470 2.4465 2.4465 2.4907 2.4907 2.5272 2.5272 5.3360 5.3360 6.1456 6.1456 6.7243 6.7243 6.8959 6.8959 7.1660 7.1660 7.7451 7.7451 7.7726 7.7726 8.0691 8.0691 8.7782 8.7782 10.5970 10.5970 11.0557 11.0557 11.4393 11.4393 12.2536 12.2536 12.6799 12.6799 12.7876 12.7876 k = 0.2455 0.2455-0.0000 ( 5678 PWs) bands (ev): -18.2200 -18.2200 -17.7746 -17.7746 -17.7493 -17.7493 -7.9902 -7.9902 -5.1469 -5.1469 -4.8154 -4.8154 -4.5031 -4.5031 -3.8724 -3.8724 -3.6865 -3.6865 -2.9776 -2.9776 -2.6460 -2.6460 -2.5345 -2.5345 -2.3337 -2.3337 -1.9628 -1.9628 -1.5771 -1.5771 2.1277 2.1277 2.1462 2.1462 2.4468 2.4468 2.4891 2.4891 2.5255 2.5255 5.3234 5.3234 6.1382 6.1382 6.7227 6.7227 6.8947 6.8947 7.1641 7.1641 7.7415 7.7415 7.7721 7.7721 8.0777 8.0777 8.7767 8.7767 10.5830 10.5830 11.0999 11.0999 11.4876 11.4876 12.1216 12.1216 12.7980 12.7980 12.8224 12.8224 k = 0.2364 0.2364-0.0000 ( 5680 PWs) bands (ev): -18.2237 -18.2237 -17.7764 -17.7764 -17.7520 -17.7520 -7.9882 -7.9882 -5.1434 -5.1434 -4.8076 -4.8076 -4.4922 -4.4922 -3.8698 -3.8698 -3.6817 -3.6817 -2.9684 -2.9684 -2.6424 -2.6424 -2.5292 -2.5292 -2.3202 -2.3202 -1.9524 -1.9524 -1.5688 -1.5688 2.1268 2.1268 2.1453 2.1453 2.4471 2.4471 2.4876 2.4876 2.5234 2.5234 5.3123 5.3123 6.1355 6.1355 6.7214 6.7214 6.8939 6.8939 7.1689 7.1689 7.7370 7.7370 7.7797 7.7797 8.0869 8.0869 8.7762 8.7762 10.5680 10.5680 11.1436 11.1436 11.5360 11.5360 11.9935 11.9935 12.8477 12.8477 12.9174 12.9174 k = 0.2273 0.2273-0.0000 ( 5688 PWs) bands (ev): -18.2274 -18.2274 -17.7782 -17.7782 -17.7548 -17.7548 -7.9854 -7.9854 -5.1395 -5.1395 -4.7983 -4.7983 -4.4811 -4.4811 -3.8670 -3.8670 -3.6769 -3.6769 -2.9597 -2.9597 -2.6395 -2.6395 -2.5241 -2.5241 -2.3070 -2.3070 -1.9447 -1.9447 -1.5639 -1.5639 2.1261 2.1261 2.1445 2.1445 2.4476 2.4476 2.4861 2.4861 2.5208 2.5208 5.3028 5.3028 6.1376 6.1376 6.7204 6.7204 6.8936 6.8936 7.1804 7.1804 7.7343 7.7343 7.7927 7.7927 8.0969 8.0969 8.7767 8.7767 10.5524 10.5524 11.1852 11.1852 11.5843 11.5843 11.8710 11.8710 12.8669 12.8669 13.0325 13.0325 k = 0.2182 0.2182-0.0000 ( 5688 PWs) bands (ev): -18.2312 -18.2312 -17.7799 -17.7799 -17.7575 -17.7575 -7.9820 -7.9820 -5.1353 -5.1353 -4.7877 -4.7877 -4.4698 -4.4698 -3.8642 -3.8642 -3.6722 -3.6722 -2.9514 -2.9514 -2.6377 -2.6377 -2.5191 -2.5191 -2.2941 -2.2941 -1.9397 -1.9397 -1.5626 -1.5626 2.1254 2.1254 2.1437 2.1437 2.4481 2.4481 2.4848 2.4848 2.5178 2.5178 5.2946 5.2946 6.1445 6.1445 6.7197 6.7197 6.8938 6.8938 7.1985 7.1985 7.7337 7.7337 7.8106 7.8106 8.1076 8.1076 8.7782 8.7782 10.5363 10.5363 11.2215 11.2215 11.6316 11.6316 11.7573 11.7573 12.8780 12.8780 13.1343 13.1344 k = 0.2091 0.2091-0.0000 ( 5688 PWs) bands (ev): -18.2350 -18.2350 -17.7816 -17.7816 -17.7602 -17.7602 -7.9778 -7.9778 -5.1307 -5.1307 -4.7756 -4.7756 -4.4583 -4.4583 -3.8614 -3.8614 -3.6674 -3.6674 -2.9434 -2.9434 -2.6370 -2.6370 -2.5143 -2.5143 -2.2816 -2.2816 -1.9374 -1.9374 -1.5646 -1.5646 2.1248 2.1248 2.1430 2.1430 2.4487 2.4487 2.4835 2.4835 2.5145 2.5145 5.2877 5.2877 6.1563 6.1563 6.7193 6.7193 6.8946 6.8946 7.2233 7.2233 7.7352 7.7352 7.8337 7.8337 8.1191 8.1191 8.7807 8.7807 10.5199 10.5199 11.2456 11.2456 11.6582 11.6582 11.6785 11.6785 12.8811 12.8811 13.0849 13.0849 k = 0.2000 0.2000-0.0000 ( 5686 PWs) bands (ev): -18.2388 -18.2388 -17.7832 -17.7832 -17.7628 -17.7628 -7.9731 -7.9731 -5.1259 -5.1259 -4.7623 -4.7623 -4.4467 -4.4467 -3.8585 -3.8585 -3.6627 -3.6627 -2.9357 -2.9357 -2.6374 -2.6374 -2.5095 -2.5095 -2.2696 -2.2696 -1.9376 -1.9376 -1.5699 -1.5699 2.1243 2.1243 2.1422 2.1422 2.4493 2.4493 2.4823 2.4823 2.5109 2.5109 5.2819 5.2819 6.1730 6.1730 6.7191 6.7191 6.8960 6.8960 7.2545 7.2545 7.7382 7.7382 7.8620 7.8620 8.1313 8.1313 8.7844 8.7844 10.5033 10.5033 11.2434 11.2434 11.5904 11.5904 11.7212 11.7212 12.8764 12.8764 12.9856 12.9856 k = 0.1909 0.1909-0.0000 ( 5682 PWs) bands (ev): -18.2425 -18.2425 -17.7848 -17.7848 -17.7654 -17.7654 -7.9677 -7.9677 -5.1209 -5.1209 -4.7477 -4.7477 -4.4350 -4.4350 -3.8554 -3.8554 -3.6581 -3.6581 -2.9282 -2.9282 -2.6391 -2.6391 -2.5049 -2.5049 -2.2580 -2.2580 -1.9402 -1.9402 -1.5783 -1.5783 2.1239 2.1239 2.1415 2.1415 2.4499 2.4499 2.4812 2.4812 2.5071 2.5071 5.2772 5.2772 6.1945 6.1945 6.7192 6.7192 6.8978 6.8978 7.2919 7.2919 7.7424 7.7424 7.8959 7.8959 8.1443 8.1443 8.7891 8.7891 10.4867 10.4867 11.2010 11.2010 11.5656 11.5656 11.7607 11.7607 12.8639 12.8639 12.8824 12.8824 k = 0.1818 0.1818-0.0000 ( 5698 PWs) bands (ev): -18.2462 -18.2462 -17.7862 -17.7862 -17.7680 -17.7680 -7.9618 -7.9618 -5.1158 -5.1158 -4.7319 -4.7319 -4.4232 -4.4232 -3.8523 -3.8523 -3.6536 -3.6536 -2.9208 -2.9208 -2.6421 -2.6421 -2.5005 -2.5005 -2.2470 -2.2470 -1.9452 -1.9452 -1.5896 -1.5896 2.1235 2.1235 2.1407 2.1407 2.4506 2.4506 2.4800 2.4800 2.5032 2.5032 5.2734 5.2734 6.2206 6.2206 6.7195 6.7195 6.9002 6.9002 7.3350 7.3350 7.7476 7.7476 7.9353 7.9353 8.1581 8.1581 8.7949 8.7949 10.4701 10.4701 11.1246 11.1246 11.5778 11.5778 11.7945 11.7945 12.7859 12.7859 12.8451 12.8451 k = 0.1727 0.1727-0.0000 ( 5714 PWs) bands (ev): -18.2499 -18.2499 -17.7877 -17.7877 -17.7705 -17.7705 -7.9555 -7.9555 -5.1107 -5.1107 -4.7150 -4.7150 -4.4114 -4.4114 -3.8490 -3.8490 -3.6492 -3.6492 -2.9136 -2.9136 -2.6464 -2.6464 -2.4961 -2.4961 -2.2366 -2.2366 -1.9523 -1.9523 -1.6036 -1.6036 2.1231 2.1231 2.1400 2.1400 2.4512 2.4512 2.4789 2.4789 2.4992 2.4992 5.2704 5.2704 6.2512 6.2512 6.7200 6.7200 6.9031 6.9031 7.3836 7.3836 7.7535 7.7535 7.9800 7.9800 8.1727 8.1727 8.8019 8.8019 10.4534 10.4534 11.0318 11.0318 11.6093 11.6093 11.8200 11.8200 12.7011 12.7011 12.8193 12.8193 k = 0.1636 0.1636-0.0000 ( 5700 PWs) bands (ev): -18.2534 -18.2534 -17.7890 -17.7890 -17.7729 -17.7729 -7.9487 -7.9487 -5.1056 -5.1056 -4.6970 -4.6970 -4.3997 -4.3997 -3.8455 -3.8455 -3.6449 -3.6449 -2.9065 -2.9065 -2.6519 -2.6519 -2.4920 -2.4920 -2.2269 -2.2269 -1.9612 -1.9612 -1.6198 -1.6198 2.1229 2.1229 2.1393 2.1393 2.4520 2.4520 2.4777 2.4777 2.4955 2.4955 5.2682 5.2682 6.2859 6.2859 6.7208 6.7208 6.9065 6.9065 7.4369 7.4369 7.7602 7.7602 8.0298 8.0298 8.1880 8.1880 8.8098 8.8098 10.4367 10.4367 10.9331 10.9331 11.6492 11.6492 11.8339 11.8339 12.6309 12.6309 12.7875 12.7875 k = 0.1545 0.1545-0.0000 ( 5692 PWs) bands (ev): -18.2569 -18.2569 -17.7903 -17.7903 -17.7753 -17.7753 -7.9416 -7.9416 -5.1006 -5.1006 -4.6782 -4.6782 -4.3881 -4.3881 -3.8417 -3.8417 -3.6407 -3.6407 -2.8996 -2.8996 -2.6586 -2.6586 -2.4880 -2.4880 -2.2180 -2.2180 -1.9718 -1.9718 -1.6381 -1.6381 2.1226 2.1226 2.1386 2.1386 2.4526 2.4526 2.4763 2.4763 2.4921 2.4921 5.2666 5.2666 6.3244 6.3244 6.7217 6.7217 6.9103 6.9103 7.4944 7.4944 7.7675 7.7675 8.0842 8.0842 8.2041 8.2041 8.8188 8.8188 10.4198 10.4198 10.8335 10.8335 11.6922 11.6922 11.8331 11.8331 12.5787 12.5787 12.7507 12.7507 k = 0.1455 0.1455-0.0000 ( 5690 PWs) bands (ev): -18.2603 -18.2603 -17.7916 -17.7916 -17.7775 -17.7775 -7.9342 -7.9342 -5.0957 -5.0957 -4.6585 -4.6585 -4.3767 -4.3767 -3.8376 -3.8376 -3.6368 -3.6368 -2.8927 -2.8927 -2.6663 -2.6663 -2.4844 -2.4844 -2.2099 -2.2099 -1.9837 -1.9837 -1.6580 -1.6580 2.1223 2.1223 2.1379 2.1379 2.4533 2.4533 2.4745 2.4745 2.4892 2.4892 5.2656 5.2656 6.3664 6.3664 6.7228 6.7228 6.9146 6.9146 7.5552 7.5552 7.7757 7.7757 8.1427 8.1427 8.2210 8.2210 8.8288 8.8288 10.4027 10.4027 10.7352 10.7352 11.7354 11.7354 11.8156 11.8156 12.5465 12.5465 12.7096 12.7096 k = 0.1364 0.1364-0.0000 ( 5694 PWs) bands (ev): -18.2636 -18.2636 -17.7927 -17.7927 -17.7797 -17.7797 -7.9267 -7.9267 -5.0911 -5.0911 -4.6381 -4.6381 -4.3657 -4.3657 -3.8331 -3.8331 -3.6330 -3.6330 -2.8861 -2.8861 -2.6750 -2.6750 -2.4811 -2.4811 -2.2028 -2.2028 -1.9968 -1.9968 -1.6791 -1.6791 2.1220 2.1220 2.1371 2.1371 2.4539 2.4539 2.4723 2.4723 2.4870 2.4870 5.2650 5.2650 6.4113 6.4113 6.7240 6.7240 6.9193 6.9193 7.6180 7.6180 7.7855 7.7855 8.2043 8.2043 8.2390 8.2390 8.8397 8.8397 10.3852 10.3852 10.6396 10.6396 11.7721 11.7721 11.7868 11.7868 12.5333 12.5333 12.6655 12.6655 k = 0.1273 0.1273-0.0000 ( 5702 PWs) bands (ev): -18.2667 -18.2667 -17.7938 -17.7938 -17.7818 -17.7818 -7.9190 -7.9190 -5.0868 -5.0868 -4.6172 -4.6172 -4.3551 -4.3551 -3.8282 -3.8282 -3.6294 -3.6294 -2.8796 -2.8796 -2.6844 -2.6844 -2.4782 -2.4782 -2.1967 -2.1967 -2.0105 -2.0105 -1.7011 -1.7011 2.1217 2.1217 2.1363 2.1363 2.4543 2.4543 2.4697 2.4697 2.4855 2.4855 5.2649 5.2649 6.4585 6.4585 6.7253 6.7253 6.9243 6.9243 7.6800 7.6800 7.7986 7.7986 8.2530 8.2530 8.2736 8.2736 8.8514 8.8514 10.3672 10.3672 10.5472 10.5472 11.7331 11.7331 11.8175 11.8175 12.5350 12.5350 12.6203 12.6203 k = 0.1182 0.1182-0.0000 ( 5694 PWs) bands (ev): -18.2697 -18.2697 -17.7948 -17.7948 -17.7838 -17.7838 -7.9114 -7.9114 -5.0828 -5.0828 -4.5958 -4.5958 -4.3453 -4.3453 -3.8229 -3.8229 -3.6260 -3.6260 -2.8734 -2.8734 -2.6944 -2.6944 -2.4757 -2.4757 -2.1919 -2.1919 -2.0246 -2.0246 -1.7234 -1.7234 2.1214 2.1214 2.1355 2.1355 2.4547 2.4547 2.4669 2.4669 2.4846 2.4846 5.2651 5.2651 6.5075 6.5075 6.7268 6.7268 6.9296 6.9296 7.7341 7.7341 7.8215 7.8215 8.2732 8.2732 8.3395 8.3395 8.8638 8.8638 10.3485 10.3485 10.4588 10.4588 11.6772 11.6772 11.8515 11.8515 12.5387 12.5387 12.5835 12.5835 k = 0.1091 0.1091-0.0000 ( 5692 PWs) bands (ev): -18.2725 -18.2725 -17.7957 -17.7957 -17.7856 -17.7856 -7.9038 -7.9038 -5.0792 -5.0792 -4.5742 -4.5742 -4.3363 -4.3363 -3.8170 -3.8170 -3.6229 -3.6229 -2.8676 -2.8676 -2.7047 -2.7047 -2.4737 -2.4737 -2.1883 -2.1883 -2.0387 -2.0387 -1.7455 -1.7455 2.1211 2.1211 2.1347 2.1347 2.4549 2.4549 2.4641 2.4641 2.4841 2.4841 5.2656 5.2656 6.5575 6.5575 6.7283 6.7283 6.9353 6.9353 7.7683 7.7683 7.8652 7.8652 8.2922 8.2922 8.4082 8.4082 8.8769 8.8769 10.3291 10.3291 10.3747 10.3747 11.6162 11.6162 11.8800 11.8800 12.5078 12.5078 12.5882 12.5882 k = 0.1000 0.1000-0.0000 ( 5696 PWs) bands (ev): -18.2752 -18.2752 -17.7966 -17.7966 -17.7874 -17.7874 -7.8965 -7.8965 -5.0759 -5.0759 -4.5524 -4.5524 -4.3284 -4.3284 -3.8106 -3.8106 -3.6200 -3.6200 -2.8621 -2.8621 -2.7152 -2.7152 -2.4723 -2.4723 -2.1861 -2.1861 -2.0524 -2.0524 -1.7672 -1.7672 2.1208 2.1208 2.1339 2.1339 2.4547 2.4547 2.4617 2.4617 2.4839 2.4839 5.2664 5.2664 6.6077 6.6077 6.7299 6.7299 6.9411 6.9411 7.7856 7.7856 7.9257 7.9257 8.3113 8.3113 8.4777 8.4777 8.8904 8.8904 10.2951 10.2951 10.3088 10.3088 11.5533 11.5533 11.9017 11.9017 12.4607 12.4607 12.6130 12.6130 k = 0.0909 0.0909-0.0000 ( 5692 PWs) bands (ev): -18.2776 -18.2776 -17.7974 -17.7974 -17.7890 -17.7890 -7.8894 -7.8894 -5.0730 -5.0730 -4.5307 -4.5307 -4.3216 -4.3216 -3.8037 -3.8037 -3.6173 -3.6173 -2.8573 -2.8573 -2.7256 -2.7256 -2.4715 -2.4715 -2.1854 -2.1854 -2.0653 -2.0653 -1.7879 -1.7879 2.1205 2.1205 2.1331 2.1331 2.4538 2.4538 2.4600 2.4600 2.4839 2.4839 5.2673 5.2673 6.6570 6.6570 6.7318 6.7318 6.9472 6.9472 7.7964 7.7964 7.9916 7.9916 8.3305 8.3305 8.5466 8.5466 8.9043 8.9043 10.2208 10.2208 10.2876 10.2876 11.4911 11.4911 11.9157 11.9157 12.4123 12.4123 12.6380 12.6380 k = 0.0818 0.0818-0.0000 ( 5698 PWs) bands (ev): -18.2799 -18.2799 -17.7981 -17.7981 -17.7904 -17.7904 -7.8827 -7.8827 -5.0705 -5.0705 -4.5092 -4.5092 -4.3162 -4.3162 -3.7964 -3.7964 -3.6149 -3.6149 -2.8532 -2.8532 -2.7355 -2.7355 -2.4713 -2.4713 -2.1861 -2.1861 -2.0773 -2.0773 -1.8073 -1.8073 2.1202 2.1202 2.1322 2.1322 2.4522 2.4522 2.4592 2.4592 2.4840 2.4840 5.2683 5.2683 6.7036 6.7036 6.7349 6.7349 6.9536 6.9536 7.8046 7.8046 8.0579 8.0579 8.3498 8.3498 8.6138 8.6138 8.9184 8.9184 10.1519 10.1519 10.2656 10.2656 11.4311 11.4311 11.9219 11.9219 12.3648 12.3648 12.6363 12.6363 k = 0.0727 0.0727-0.0000 ( 5700 PWs) bands (ev): -18.2819 -18.2819 -17.7988 -17.7988 -17.7918 -17.7918 -7.8764 -7.8764 -5.0684 -5.0684 -4.4881 -4.4881 -4.3124 -4.3124 -3.7889 -3.7889 -3.6128 -3.6128 -2.8499 -2.8499 -2.7446 -2.7446 -2.4716 -2.4716 -2.1880 -2.1880 -2.0881 -2.0881 -1.8249 -1.8249 2.1199 2.1199 2.1314 2.1314 2.4503 2.4503 2.4590 2.4590 2.4842 2.4842 5.2693 5.2693 6.7299 6.7299 6.7557 6.7557 6.9602 6.9602 7.8115 7.8115 8.1220 8.1220 8.3691 8.3691 8.6780 8.6780 8.9326 8.9326 10.0887 10.0887 10.2430 10.2430 11.3748 11.3748 11.9213 11.9213 12.3197 12.3197 12.6262 12.6262 k = 0.0636 0.0636-0.0000 ( 5694 PWs) bands (ev): -18.2838 -18.2838 -17.7993 -17.7993 -17.7929 -17.7929 -7.8706 -7.8706 -5.0666 -5.0666 -4.4676 -4.4676 -4.3102 -4.3102 -3.7813 -3.7813 -3.6109 -3.6109 -2.8477 -2.8477 -2.7527 -2.7527 -2.4724 -2.4724 -2.1910 -2.1910 -2.0977 -2.0977 -1.8406 -1.8406 2.1197 2.1197 2.1307 2.1307 2.4484 2.4484 2.4589 2.4589 2.4845 2.4845 5.2703 5.2703 6.7334 6.7334 6.7956 6.7956 6.9673 6.9673 7.8174 7.8174 8.1820 8.1820 8.3883 8.3883 8.7378 8.7378 8.9470 8.9470 10.0316 10.0316 10.2203 10.2203 11.3230 11.3230 11.9151 11.9151 12.2776 12.2776 12.6214 12.6214 k = 0.0545 0.0545-0.0000 ( 5696 PWs) bands (ev): -18.2854 -18.2854 -17.7998 -17.7998 -17.7940 -17.7940 -7.8655 -7.8655 -5.0651 -5.0651 -4.4478 -4.4478 -4.3098 -4.3098 -3.7739 -3.7739 -3.6093 -3.6093 -2.8466 -2.8466 -2.7593 -2.7593 -2.4736 -2.4736 -2.1945 -2.1945 -2.1060 -2.1060 -1.8541 -1.8541 2.1194 2.1194 2.1300 2.1300 2.4466 2.4466 2.4590 2.4590 2.4847 2.4847 5.2713 5.2713 6.7351 6.7351 6.8325 6.8325 6.9751 6.9751 7.8225 7.8225 8.2363 8.2363 8.4076 8.4076 8.7916 8.7916 8.9616 8.9616 9.9810 9.9810 10.1979 10.1979 11.2766 11.2766 11.9053 11.9053 12.2396 12.2396 12.6210 12.6210 k = 0.0455 0.0455-0.0000 ( 5694 PWs) bands (ev): -18.2868 -18.2868 -17.8002 -17.8002 -17.7949 -17.7949 -7.8610 -7.8610 -5.0639 -5.0639 -4.4290 -4.4290 -4.3111 -4.3111 -3.7669 -3.7669 -3.6079 -3.6079 -2.8466 -2.8466 -2.7644 -2.7644 -2.4751 -2.4751 -2.1983 -2.1983 -2.1131 -2.1131 -1.8655 -1.8655 2.1192 2.1192 2.1294 2.1294 2.4450 2.4450 2.4591 2.4591 2.4850 2.4850 5.2723 5.2723 6.7363 6.7363 6.8637 6.8637 6.9838 6.9838 7.8268 7.8268 8.2831 8.2831 8.4271 8.4271 8.8378 8.8378 8.9766 8.9766 9.9374 9.9374 10.1767 10.1767 11.2363 11.2363 11.8938 11.8938 12.2061 12.2061 12.6231 12.6231 k = 0.0364 0.0364-0.0000 ( 5689 PWs) bands (ev): -18.2879 -18.2879 -17.8006 -17.8006 -17.7956 -17.7956 -7.8572 -7.8572 -5.0630 -5.0630 -4.4113 -4.4113 -4.3141 -4.3141 -3.7606 -3.7606 -3.6069 -3.6069 -2.8475 -2.8475 -2.7681 -2.7681 -2.4766 -2.4766 -2.2018 -2.2018 -2.1191 -2.1191 -1.8746 -1.8746 2.1191 2.1191 2.1289 2.1289 2.4437 2.4437 2.4592 2.4592 2.4852 2.4852 5.2731 5.2731 6.7372 6.7372 6.8882 6.8882 6.9933 6.9933 7.8303 7.8303 8.3208 8.3208 8.4464 8.4464 8.8748 8.8748 8.9920 8.9920 9.9010 9.9010 10.1574 10.1574 11.2026 11.2026 11.8822 11.8822 12.1779 12.1779 12.6261 12.6261 k = 0.0273 0.0273-0.0000 ( 5693 PWs) bands (ev): -18.2888 -18.2888 -17.8008 -17.8008 -17.7962 -17.7962 -7.8542 -7.8542 -5.0623 -5.0623 -4.3952 -4.3952 -4.3188 -4.3188 -3.7553 -3.7553 -3.6061 -3.6061 -2.8488 -2.8488 -2.7704 -2.7704 -2.4780 -2.4780 -2.2049 -2.2049 -2.1239 -2.1239 -1.8815 -1.8815 2.1189 2.1189 2.1284 2.1284 2.4427 2.4427 2.4592 2.4592 2.4854 2.4854 5.2737 5.2737 6.7380 6.7380 6.9057 6.9057 7.0031 7.0031 7.8331 7.8331 8.3488 8.3488 8.4649 8.4649 8.9019 8.9019 9.0072 9.0072 9.8723 9.8723 10.1410 10.1410 11.1759 11.1759 11.8719 11.8719 12.1555 12.1555 12.6290 12.6290 k = 0.0182 0.0182-0.0000 ( 5693 PWs) bands (ev): -18.2894 -18.2894 -17.8010 -17.8010 -17.7966 -17.7966 -7.8521 -7.8521 -5.0618 -5.0618 -4.3809 -4.3809 -4.3248 -4.3248 -3.7513 -3.7513 -3.6055 -3.6055 -2.8502 -2.8502 -2.7718 -2.7718 -2.4792 -2.4792 -2.2072 -2.2072 -2.1274 -2.1274 -1.8864 -1.8864 2.1188 2.1188 2.1281 2.1281 2.4420 2.4420 2.4593 2.4593 2.4856 2.4856 5.2742 5.2742 6.7385 6.7385 6.9171 6.9171 7.0118 7.0118 7.8351 7.8351 8.3676 8.3676 8.4805 8.4805 8.9197 8.9197 9.0206 9.0206 9.8515 9.8515 10.1285 10.1285 11.1566 11.1566 11.8638 11.8638 12.1392 12.1392 12.6314 12.6314 k = 0.0091 0.0091-0.0000 ( 5693 PWs) bands (ev): -18.2898 -18.2898 -17.8011 -17.8011 -17.7968 -17.7968 -7.8508 -7.8508 -5.0616 -5.0616 -4.3698 -4.3698 -4.3309 -4.3309 -3.7488 -3.7488 -3.6052 -3.6052 -2.8513 -2.8513 -2.7725 -2.7725 -2.4800 -2.4800 -2.2087 -2.2087 -2.1295 -2.1295 -1.8893 -1.8893 2.1188 2.1188 2.1279 2.1279 2.4416 2.4416 2.4593 2.4593 2.4857 2.4857 5.2745 5.2745 6.7389 6.7389 6.9233 6.9233 7.0178 7.0178 7.8364 7.8364 8.3783 8.3783 8.4910 8.4910 8.9295 8.9295 9.0298 9.0298 9.8389 9.8389 10.1206 10.1206 11.1449 11.1449 11.8587 11.8587 12.1292 12.1292 12.6330 12.6330 k = 0.0000 0.0000 0.0000 ( 5691 PWs) bands (ev): -18.2899 -18.2899 -17.8012 -17.8012 -17.7969 -17.7969 -7.8503 -7.8503 -5.0615 -5.0615 -4.3650 -4.3650 -4.3340 -4.3340 -3.7479 -3.7479 -3.6051 -3.6051 -2.8517 -2.8517 -2.7727 -2.7727 -2.4802 -2.4802 -2.2092 -2.2092 -2.1302 -2.1302 -1.8902 -1.8902 2.1188 2.1188 2.1279 2.1279 2.4414 2.4414 2.4593 2.4593 2.4857 2.4857 5.2746 5.2746 6.7390 6.7390 6.9253 6.9253 7.0199 7.0199 7.8368 7.8368 8.3817 8.3817 8.4947 8.4947 8.9326 8.9326 9.0331 9.0331 9.8347 9.8347 10.1179 10.1179 11.1409 11.1409 11.8570 11.8570 12.1259 12.1259 12.6335 12.6335 k = 0.0000 0.0000 0.0000 ( 5691 PWs) bands (ev): -18.2899 -18.2899 -17.8012 -17.8012 -17.7969 -17.7969 -7.8503 -7.8503 -5.0615 -5.0615 -4.3650 -4.3650 -4.3340 -4.3340 -3.7479 -3.7479 -3.6051 -3.6051 -2.8517 -2.8517 -2.7727 -2.7727 -2.4802 -2.4802 -2.2092 -2.2092 -2.1302 -2.1302 -1.8902 -1.8902 2.1188 2.1188 2.1279 2.1279 2.4414 2.4414 2.4593 2.4593 2.4857 2.4857 5.2746 5.2746 6.7390 6.7390 6.9253 6.9253 7.0199 7.0199 7.8368 7.8368 8.3817 8.3817 8.4947 8.4947 8.9326 8.9326 9.0331 9.0331 9.8347 9.8347 10.1179 10.1179 11.1409 11.1409 11.8570 11.8570 12.1259 12.1259 12.6335 12.6335 k = 0.0000 0.0000 0.0130 ( 5687 PWs) bands (ev): -18.2899 -18.2899 -17.8023 -17.8023 -17.7958 -17.7958 -7.8503 -7.8503 -5.0617 -5.0617 -4.3696 -4.3696 -4.3300 -4.3300 -3.7505 -3.7505 -3.6005 -3.6005 -2.8516 -2.8516 -2.7750 -2.7750 -2.4777 -2.4777 -2.2096 -2.2096 -2.1298 -2.1298 -1.8919 -1.8919 2.1188 2.1188 2.1283 2.1283 2.4420 2.4420 2.4593 2.4593 2.4857 2.4857 5.2751 5.2751 6.7387 6.7387 6.9254 6.9254 7.0201 7.0201 7.8304 7.8304 8.3809 8.3809 8.4940 8.4940 8.9336 8.9336 9.0341 9.0341 9.8352 9.8352 10.1260 10.1260 11.1366 11.1366 11.8620 11.8620 12.1234 12.1234 12.5921 12.5921 k = 0.0000 0.0000 0.0259 ( 5695 PWs) bands (ev): -18.2899 -18.2899 -17.8043 -17.8043 -17.7938 -17.7938 -7.8500 -7.8500 -5.0625 -5.0625 -4.3797 -4.3797 -4.3217 -4.3217 -3.7575 -3.7575 -3.5879 -3.5879 -2.8515 -2.8515 -2.7817 -2.7817 -2.4701 -2.4701 -2.2109 -2.2109 -2.1286 -2.1286 -1.8970 -1.8970 2.1188 2.1188 2.1295 2.1295 2.4438 2.4438 2.4593 2.4593 2.4857 2.4857 5.2766 5.2766 6.7378 6.7378 6.9257 6.9257 7.0204 7.0204 7.8116 7.8116 8.3786 8.3786 8.4920 8.4920 8.9364 8.9364 9.0369 9.0369 9.8369 9.8369 10.1497 10.1497 11.1242 11.1242 11.8764 11.8764 12.1157 12.1157 12.5142 12.5142 k = 0.0000 0.0000 0.0389 ( 5695 PWs) bands (ev): -18.2898 -18.2898 -17.8065 -17.8065 -17.7917 -17.7917 -7.8496 -7.8496 -5.0638 -5.0638 -4.3918 -4.3918 -4.3124 -4.3124 -3.7670 -3.7670 -3.5690 -3.5690 -2.8513 -2.8513 -2.7922 -2.7922 -2.4584 -2.4584 -2.2129 -2.2129 -2.1268 -2.1268 -1.9053 -1.9053 2.1188 2.1188 2.1315 2.1315 2.4467 2.4467 2.4593 2.4593 2.4857 2.4857 5.2790 5.2790 6.7366 6.7366 6.9262 6.9262 7.0210 7.0210 7.7814 7.7814 8.3750 8.3750 8.4887 8.4887 8.9411 8.9411 9.0415 9.0415 9.8396 9.8396 10.1880 10.1880 11.1048 11.1048 11.8990 11.8990 12.1030 12.1030 12.4312 12.4312 k = 0.0000 0.0000 0.0519 ( 5703 PWs) bands (ev): -18.2898 -18.2898 -17.8087 -17.8087 -17.7895 -17.7895 -7.8490 -7.8490 -5.0655 -5.0655 -4.4047 -4.4047 -4.3033 -4.3033 -3.7776 -3.7776 -3.5455 -3.5455 -2.8511 -2.8511 -2.8056 -2.8056 -2.4434 -2.4434 -2.2155 -2.2155 -2.1244 -2.1244 -1.9166 -1.9166 2.1187 2.1187 2.1340 2.1340 2.4507 2.4507 2.4593 2.4593 2.4857 2.4857 5.2823 5.2823 6.7353 6.7353 6.9268 6.9268 7.0218 7.0218 7.7410 7.7410 8.3702 8.3702 8.4844 8.4844 8.9473 8.9473 9.0476 9.0476 9.8434 9.8434 10.2395 10.2395 11.0799 11.0799 11.9282 11.9282 12.0854 12.0854 12.3499 12.3499 k = 0.0000 0.0000 0.0648 ( 5706 PWs) bands (ev): -18.2897 -18.2897 -17.8109 -17.8109 -17.7874 -17.7874 -7.8483 -7.8483 -5.0676 -5.0676 -4.4179 -4.4179 -4.2947 -4.2947 -3.7883 -3.7883 -3.5186 -3.5186 -2.8508 -2.8508 -2.8213 -2.8213 -2.4260 -2.4260 -2.2186 -2.2186 -2.1216 -2.1216 -1.9306 -1.9306 2.1187 2.1187 2.1371 2.1371 2.4557 2.4557 2.4592 2.4592 2.4856 2.4856 5.2865 5.2865 6.7344 6.7344 6.9277 6.9277 7.0228 7.0228 7.6920 7.6920 8.3646 8.3646 8.4792 8.4792 8.9548 8.9548 9.0550 9.0550 9.8481 9.8481 10.3021 10.3021 11.0513 11.0513 11.9619 11.9619 12.0631 12.0631 12.2723 12.2723 k = 0.0000 0.0000 0.0778 ( 5710 PWs) bands (ev): -18.2896 -18.2896 -17.8130 -17.8130 -17.7854 -17.7854 -7.8475 -7.8475 -5.0700 -5.0700 -4.4311 -4.4311 -4.2868 -4.2868 -3.7985 -3.7985 -3.4892 -3.4892 -2.8505 -2.8505 -2.8388 -2.8388 -2.4069 -2.4069 -2.2219 -2.2219 -2.1187 -2.1187 -1.9471 -1.9471 2.1187 2.1187 2.1404 2.1404 2.4592 2.4592 2.4616 2.4616 2.4856 2.4856 5.2913 5.2913 6.7344 6.7344 6.9286 6.9286 7.0239 7.0239 7.6363 7.6363 8.3583 8.3583 8.4733 8.4733 8.9633 8.9633 9.0634 9.0634 9.8536 9.8536 10.3738 10.3738 11.0204 11.0204 11.9983 11.9983 12.0364 12.0364 12.1992 12.1992 k = 0.0000 0.0000 0.0908 ( 5694 PWs) bands (ev): -18.2894 -18.2894 -17.8151 -17.8151 -17.7835 -17.7835 -7.8467 -7.8467 -5.0726 -5.0726 -4.4440 -4.4440 -4.2795 -4.2795 -3.8080 -3.8080 -3.4577 -3.4577 -2.8576 -2.8576 -2.8501 -2.8501 -2.3870 -2.3870 -2.2253 -2.2253 -2.1156 -2.1156 -1.9656 -1.9656 2.1188 2.1188 2.1440 2.1440 2.4592 2.4592 2.4681 2.4681 2.4857 2.4857 5.2967 5.2967 6.7357 6.7357 6.9297 6.9297 7.0252 7.0252 7.5755 7.5755 8.3516 8.3516 8.4671 8.4671 8.9726 8.9726 9.0725 9.0725 9.8598 9.8598 10.4526 10.4526 10.9885 10.9885 12.0054 12.0054 12.0349 12.0349 12.1313 12.1313 k = 0.0000 0.0000 0.1037 ( 5678 PWs) bands (ev): -18.2893 -18.2893 -17.8170 -17.8170 -17.7818 -17.7818 -7.8457 -7.8457 -5.0754 -5.0754 -4.4564 -4.4564 -4.2729 -4.2729 -3.8166 -3.8166 -3.4246 -3.4246 -2.8774 -2.8774 -2.8497 -2.8497 -2.3665 -2.3665 -2.2287 -2.2287 -2.1126 -2.1126 -1.9857 -1.9857 2.1188 2.1188 2.1476 2.1476 2.4593 2.4593 2.4752 2.4752 2.4857 2.4857 5.3026 5.3026 6.7390 6.7390 6.9309 6.9309 7.0265 7.0265 7.5112 7.5112 8.3448 8.3448 8.4606 8.4606 8.9822 8.9822 9.0820 9.0820 9.8665 9.8665 10.5365 10.5365 10.9566 10.9566 11.9705 11.9705 12.0648 12.0648 12.0688 12.0688 k = 0.0000 0.0000 0.1167 ( 5678 PWs) bands (ev): -18.2892 -18.2892 -17.8187 -17.8187 -17.7801 -17.7801 -7.8448 -7.8448 -5.0782 -5.0782 -4.4682 -4.4682 -4.2671 -4.2671 -3.8243 -3.8243 -3.3904 -3.3904 -2.8982 -2.8982 -2.8493 -2.8493 -2.3461 -2.3461 -2.2319 -2.2319 -2.1097 -2.1097 -2.0069 -2.0069 2.1188 2.1188 2.1511 2.1511 2.4593 2.4593 2.4824 2.4824 2.4857 2.4857 5.3086 5.3086 6.7449 6.7449 6.9321 6.9321 7.0278 7.0278 7.4449 7.4449 8.3381 8.3381 8.4542 8.4542 8.9918 8.9918 9.0915 9.0915 9.8735 9.8735 10.6235 10.6235 10.9257 10.9257 11.9320 11.9320 12.0119 12.0119 12.0560 12.0560 k = 0.0000 0.0000 0.1297 ( 5686 PWs) bands (ev): -18.2891 -18.2891 -17.8203 -17.8203 -17.7787 -17.7787 -7.8439 -7.8439 -5.0809 -5.0809 -4.4790 -4.4790 -4.2620 -4.2620 -3.8311 -3.8311 -3.3553 -3.3553 -2.9200 -2.9200 -2.8489 -2.8489 -2.3260 -2.3260 -2.2350 -2.2350 -2.1070 -2.1070 -2.0287 -2.0287 2.1188 2.1188 2.1543 2.1543 2.4592 2.4592 2.4857 2.4857 2.4896 2.4896 5.3147 5.3147 6.7539 6.7539 6.9334 6.9334 7.0292 7.0292 7.3778 7.3778 8.3317 8.3317 8.4481 8.4481 9.0012 9.0012 9.1008 9.1008 9.8806 9.8806 10.7119 10.7119 10.8966 10.8966 11.8905 11.8905 11.9608 11.9608 12.0138 12.0138 k = 0.0000 0.0000 0.1426 ( 5686 PWs) bands (ev): -18.2890 -18.2890 -17.8217 -17.8217 -17.7774 -17.7774 -7.8430 -7.8430 -5.0835 -5.0835 -4.4887 -4.4887 -4.2575 -4.2575 -3.8369 -3.8369 -3.3199 -3.3199 -2.9428 -2.9428 -2.8485 -2.8485 -2.3064 -2.3064 -2.2379 -2.2379 -2.1045 -2.1045 -2.0506 -2.0506 2.1188 2.1188 2.1572 2.1572 2.4592 2.4592 2.4857 2.4857 2.4965 2.4965 5.3206 5.3206 6.7665 6.7665 6.9347 6.9347 7.0304 7.0304 7.3111 7.3111 8.3259 8.3259 8.4424 8.4424 9.0100 9.0100 9.1094 9.1094 9.8876 9.8876 10.7998 10.7998 10.8699 10.8699 11.8465 11.8465 11.9156 11.9156 11.9711 11.9711 k = 0.0000 0.0000 0.1556 ( 5698 PWs) bands (ev): -18.2888 -18.2888 -17.8229 -17.8229 -17.7763 -17.7763 -7.8422 -7.8422 -5.0859 -5.0859 -4.4972 -4.4972 -4.2538 -4.2538 -3.8418 -3.8418 -3.2844 -3.2844 -2.9666 -2.9666 -2.8482 -2.8482 -2.2875 -2.2875 -2.2403 -2.2403 -2.1023 -2.1023 -2.0723 -2.0723 2.1187 2.1187 2.1597 2.1597 2.4592 2.4592 2.4856 2.4856 2.5029 2.5029 5.3261 5.3261 6.7830 6.7830 6.9362 6.9362 7.0316 7.0316 7.2459 7.2459 8.3206 8.3206 8.4373 8.4373 9.0180 9.0180 9.1173 9.1173 9.8941 9.8941 10.8462 10.8462 10.8852 10.8852 11.8008 11.8008 11.8766 11.8766 11.9335 11.9335 k = 0.0000 0.0000 0.1686 ( 5714 PWs) bands (ev): -18.2888 -18.2888 -17.8239 -17.8239 -17.7754 -17.7754 -7.8415 -7.8415 -5.0880 -5.0880 -4.5044 -4.5044 -4.2507 -4.2507 -3.8459 -3.8459 -3.2493 -3.2493 -2.9914 -2.9914 -2.8479 -2.8479 -2.2695 -2.2695 -2.2425 -2.2425 -2.1005 -2.1005 -2.0930 -2.0930 2.1187 2.1187 2.1617 2.1617 2.4591 2.4591 2.4856 2.4856 2.5085 2.5085 5.3309 5.3309 6.8035 6.8035 6.9381 6.9381 7.0326 7.0326 7.1832 7.1832 8.3161 8.3161 8.4329 8.4329 9.0249 9.0249 9.1241 9.1241 9.8999 9.8999 10.8260 10.8260 10.9659 10.9659 11.7544 11.7544 11.8442 11.8442 11.9022 11.9022 k = 0.0000 0.0000 0.1815 ( 5690 PWs) bands (ev): -18.2887 -18.2887 -17.8247 -17.8247 -17.7746 -17.7746 -7.8409 -7.8409 -5.0896 -5.0896 -4.5100 -4.5100 -4.2483 -4.2483 -3.8489 -3.8489 -3.2150 -3.2150 -3.0172 -3.0172 -2.8476 -2.8476 -2.2528 -2.2528 -2.2441 -2.2441 -2.1123 -2.1123 -2.0991 -2.0991 2.1187 2.1187 2.1635 2.1635 2.4592 2.4592 2.4856 2.4856 2.5131 2.5131 5.3349 5.3349 6.8274 6.8274 6.9408 6.9408 7.0334 7.0334 7.1240 7.1240 8.3126 8.3126 8.4294 8.4294 9.0305 9.0305 9.1296 9.1296 9.9048 9.9048 10.8098 10.8098 11.0387 11.0387 11.7092 11.7092 11.8188 11.8188 11.8774 11.8774 k = 0.0000 0.0000 0.1945 ( 5698 PWs) bands (ev): -18.2886 -18.2886 -17.8253 -17.8253 -17.7741 -17.7741 -7.8405 -7.8405 -5.0908 -5.0908 -4.5141 -4.5141 -4.2466 -4.2466 -3.8512 -3.8512 -3.1825 -3.1825 -3.0434 -3.0434 -2.8474 -2.8474 -2.2453 -2.2453 -2.2379 -2.2379 -2.1293 -2.1293 -2.0980 -2.0980 2.1187 2.1187 2.1647 2.1647 2.4591 2.4591 2.4856 2.4856 2.5165 2.5165 5.3379 5.3379 6.8530 6.8530 6.9459 6.9459 7.0340 7.0340 7.0695 7.0695 8.3099 8.3099 8.4269 8.4269 9.0346 9.0346 9.1336 9.1336 9.9085 9.9085 10.7979 10.7979 11.0992 11.0992 11.6689 11.6689 11.8006 11.8006 11.8596 11.8596 k = 0.0000 0.0000 0.2075 ( 5698 PWs) bands (ev): -18.2886 -18.2886 -17.8257 -17.8257 -17.7738 -17.7738 -7.8403 -7.8403 -5.0916 -5.0916 -4.5166 -4.5166 -4.2456 -4.2456 -3.8525 -3.8525 -3.1538 -3.1538 -3.0682 -3.0682 -2.8473 -2.8473 -2.2461 -2.2461 -2.2265 -2.2265 -2.1419 -2.1419 -2.0974 -2.0974 2.1187 2.1187 2.1654 2.1654 2.4591 2.4591 2.4856 2.4856 2.5186 2.5186 5.3397 5.3397 6.8750 6.8750 6.9576 6.9576 7.0213 7.0213 7.0344 7.0344 8.3083 8.3083 8.4253 8.4253 9.0371 9.0371 9.1361 9.1361 9.9108 9.9108 10.7907 10.7907 11.1409 11.1409 11.6397 11.6397 11.7897 11.7897 11.8489 11.8489 k = 0.0000 0.0000 0.2204 ( 5702 PWs) bands (ev): -18.2886 -18.2886 -17.8258 -17.8258 -17.7737 -17.7737 -7.8402 -7.8402 -5.0919 -5.0919 -4.5175 -4.5175 -4.2452 -4.2452 -3.8529 -3.8529 -3.1391 -3.1391 -3.0815 -3.0815 -2.8473 -2.8473 -2.2463 -2.2463 -2.2220 -2.2220 -2.1469 -2.1469 -2.0972 -2.0972 2.1187 2.1187 2.1656 2.1656 2.4591 2.4591 2.4856 2.4856 2.5193 2.5193 5.3403 5.3403 6.8839 6.8839 6.9822 6.9822 6.9829 6.9829 7.0345 7.0345 8.3078 8.3078 8.4248 8.4248 9.0379 9.0379 9.1369 9.1369 9.9115 9.9115 10.7883 10.7883 11.1560 11.1560 11.6287 11.6287 11.7860 11.7860 11.8453 11.8453 k = 0.0000 0.0000 0.2204 ( 5702 PWs) bands (ev): -18.2886 -18.2886 -17.8258 -17.8258 -17.7737 -17.7737 -7.8402 -7.8402 -5.0919 -5.0919 -4.5175 -4.5175 -4.2452 -4.2452 -3.8529 -3.8529 -3.1391 -3.1391 -3.0815 -3.0815 -2.8473 -2.8473 -2.2463 -2.2463 -2.2220 -2.2220 -2.1469 -2.1469 -2.0972 -2.0972 2.1187 2.1187 2.1656 2.1656 2.4591 2.4591 2.4856 2.4856 2.5193 2.5193 5.3403 5.3403 6.8839 6.8839 6.9822 6.9822 6.9829 6.9829 7.0345 7.0345 8.3078 8.3078 8.4248 8.4248 9.0379 9.0379 9.1369 9.1369 9.9115 9.9115 10.7883 10.7883 11.1560 11.1560 11.6287 11.6287 11.7860 11.7860 11.8453 11.8453 k = 0.0000 0.0128 0.2204 ( 5694 PWs) bands (ev): -18.2884 -18.2884 -17.8257 -17.8257 -17.7737 -17.7737 -7.8406 -7.8406 -5.0920 -5.0920 -4.5187 -4.5187 -4.2458 -4.2458 -3.8524 -3.8524 -3.1515 -3.1515 -3.0707 -3.0707 -2.8464 -2.8464 -2.2463 -2.2463 -2.2229 -2.2229 -2.1454 -2.1454 -2.0955 -2.0955 2.1187 2.1187 2.1657 2.1657 2.4591 2.4591 2.4856 2.4856 2.5195 2.5195 5.3406 5.3406 6.8827 6.8827 6.9770 6.9770 6.9859 6.9859 7.0331 7.0331 8.3046 8.3046 8.4212 8.4212 9.0348 9.0348 9.1335 9.1335 9.9159 9.9159 10.7924 10.7924 11.1571 11.1571 11.6337 11.6337 11.7853 11.7853 11.8446 11.8446 k = 0.0000 0.0256 0.2204 ( 5686 PWs) bands (ev): -18.2881 -18.2881 -17.8255 -17.8255 -17.7736 -17.7736 -7.8419 -7.8419 -5.0923 -5.0923 -4.5224 -4.5224 -4.2475 -4.2475 -3.8507 -3.8507 -3.1769 -3.1769 -3.0502 -3.0502 -2.8437 -2.8437 -2.2464 -2.2464 -2.2250 -2.2250 -2.1411 -2.1411 -2.0904 -2.0904 2.1188 2.1188 2.1657 2.1657 2.4591 2.4591 2.4855 2.4855 2.5201 2.5201 5.3414 5.3414 6.8789 6.8789 6.9693 6.9693 6.9869 6.9869 7.0290 7.0290 8.2947 8.2947 8.4109 8.4109 9.0253 9.0253 9.1236 9.1236 9.9289 9.9289 10.8046 10.8046 11.1604 11.1604 11.6488 11.6488 11.7826 11.7826 11.8433 11.8433 k = 0.0000 0.0385 0.2204 ( 5692 PWs) bands (ev): -18.2874 -18.2874 -17.8250 -17.8250 -17.7734 -17.7734 -7.8441 -7.8441 -5.0929 -5.0929 -4.5284 -4.5284 -4.2502 -4.2502 -3.8480 -3.8480 -3.2062 -3.2062 -3.0289 -3.0289 -2.8393 -2.8393 -2.2469 -2.2469 -2.2275 -2.2275 -2.1353 -2.1353 -2.0817 -2.0817 2.1189 2.1189 2.1656 2.1656 2.4590 2.4590 2.4853 2.4853 2.5210 2.5210 5.3428 5.3428 6.8722 6.8722 6.9595 6.9595 6.9852 6.9852 7.0230 7.0230 8.2780 8.2780 8.3943 8.3943 9.0093 9.0093 9.1078 9.1078 9.9502 9.9502 10.8247 10.8247 11.1656 11.1656 11.6736 11.6736 11.7766 11.7766 11.8432 11.8432 k = 0.0000 0.0513 0.2204 ( 5690 PWs) bands (ev): -18.2866 -18.2866 -17.8245 -17.8245 -17.7731 -17.7731 -7.8471 -7.8471 -5.0937 -5.0937 -4.5367 -4.5367 -4.2541 -4.2541 -3.8444 -3.8444 -3.2371 -3.2371 -3.0089 -3.0089 -2.8332 -2.8332 -2.2480 -2.2480 -2.2292 -2.2292 -2.1285 -2.1285 -2.0694 -2.0694 2.1190 2.1190 2.1656 2.1656 2.4589 2.4589 2.4851 2.4851 2.5222 2.5222 5.3448 5.3448 6.8623 6.8623 6.9478 6.9478 6.9801 6.9801 7.0163 7.0163 8.2542 8.2542 8.3724 8.3724 8.9870 8.9870 9.0870 9.0870 9.9794 9.9794 10.8525 10.8525 11.1723 11.1723 11.7074 11.7074 11.7663 11.7663 11.8463 11.8463 k = 0.0000 0.0641 0.2204 ( 5686 PWs) bands (ev): -18.2855 -18.2855 -17.8237 -17.8237 -17.7728 -17.7728 -7.8510 -7.8510 -5.0949 -5.0949 -4.5470 -4.5470 -4.2590 -4.2590 -3.8399 -3.8399 -3.2687 -3.2687 -2.9908 -2.9908 -2.8258 -2.8258 -2.2500 -2.2500 -2.2296 -2.2296 -2.1212 -2.1212 -2.0536 -2.0536 2.1192 2.1192 2.1655 2.1655 2.4588 2.4588 2.4849 2.4849 2.5239 2.5239 5.3473 5.3473 6.8487 6.8487 6.9345 6.9345 6.9709 6.9709 7.0101 7.0101 8.2230 8.2230 8.3464 8.3464 8.9582 8.9582 9.0622 9.0622 10.0159 10.0159 10.8875 10.8875 11.1796 11.1796 11.7411 11.7411 11.7608 11.7608 11.8532 11.8532 k = 0.0000 0.0769 0.2204 ( 5696 PWs) bands (ev): -18.2841 -18.2841 -17.8228 -17.8228 -17.7724 -17.7724 -7.8557 -7.8557 -5.0964 -5.0964 -4.5592 -4.5592 -4.2649 -4.2649 -3.8346 -3.8346 -3.3005 -3.3005 -2.9747 -2.9747 -2.8172 -2.8172 -2.2524 -2.2524 -2.2290 -2.2290 -2.1132 -2.1132 -2.0351 -2.0351 2.1194 2.1194 2.1654 2.1654 2.4586 2.4586 2.4846 2.4846 2.5258 2.5258 5.3503 5.3503 6.8308 6.8308 6.9198 6.9198 6.9578 6.9578 7.0050 7.0050 8.1845 8.1845 8.3171 8.3171 8.9233 8.9233 9.0341 9.0341 10.0593 10.0593 10.9294 10.9294 11.1869 11.1869 11.7298 11.7298 11.8057 11.8057 11.8638 11.8638 k = 0.0000 0.0897 0.2204 ( 5704 PWs) bands (ev): -18.2826 -18.2826 -17.8218 -17.8218 -17.7720 -17.7720 -7.8611 -7.8611 -5.0984 -5.0984 -4.5731 -4.5731 -4.2718 -4.2718 -3.8288 -3.8288 -3.3321 -3.3321 -2.9603 -2.9603 -2.8080 -2.8080 -2.2550 -2.2550 -2.2275 -2.2275 -2.1043 -2.1043 -2.0141 -2.0141 2.1196 2.1196 2.1653 2.1653 2.4584 2.4584 2.4843 2.4843 2.5282 2.5282 5.3539 5.3539 6.8083 6.8083 6.9037 6.9037 6.9420 6.9420 7.0005 7.0005 8.1391 8.1391 8.2852 8.2852 8.8828 8.8828 9.0032 9.0032 10.1092 10.1092 10.9776 10.9776 11.1931 11.1931 11.7110 11.7110 11.8629 11.8629 11.8796 11.8796 k = 0.0000 0.1026 0.2204 ( 5704 PWs) bands (ev): -18.2808 -18.2808 -17.8206 -17.8206 -17.7714 -17.7714 -7.8673 -7.8673 -5.1009 -5.1009 -4.5884 -4.5884 -4.2797 -4.2797 -3.8225 -3.8225 -3.3631 -3.3631 -2.9473 -2.9473 -2.7985 -2.7985 -2.2576 -2.2576 -2.2255 -2.2255 -2.0942 -2.0942 -1.9912 -1.9912 2.1198 2.1198 2.1652 2.1652 2.4581 2.4581 2.4840 2.4840 2.5309 2.5309 5.3581 5.3581 6.7814 6.7814 6.8858 6.8858 6.9250 6.9250 6.9962 6.9962 8.0875 8.0875 8.2511 8.2511 8.8376 8.8376 8.9699 8.9699 10.1653 10.1653 11.0313 11.0313 11.1973 11.1973 11.6923 11.6923 11.8924 11.8924 11.9338 11.9338 k = 0.0000 0.1154 0.2204 ( 5704 PWs) bands (ev): -18.2788 -18.2788 -17.8193 -17.8193 -17.7709 -17.7709 -7.8742 -7.8742 -5.1040 -5.1040 -4.6049 -4.6049 -4.2885 -4.2885 -3.8158 -3.8158 -3.3934 -3.3934 -2.9355 -2.9355 -2.7891 -2.7891 -2.2600 -2.2600 -2.2232 -2.2232 -2.0828 -2.0828 -1.9667 -1.9667 2.1201 2.1201 2.1650 2.1650 2.4577 2.4577 2.4837 2.4837 2.5339 2.5339 5.3628 5.3628 6.7504 6.7504 6.8655 6.8655 6.9077 6.9077 6.9918 6.9918 8.0308 8.0308 8.2149 8.2149 8.7883 8.7883 8.9345 8.9345 10.2272 10.2272 11.0892 11.0892 11.1993 11.1993 11.6760 11.6760 11.9123 11.9123 12.0069 12.0069 k = 0.0000 0.1282 0.2204 ( 5706 PWs) bands (ev): -18.2766 -18.2766 -17.8178 -17.8178 -17.7702 -17.7702 -7.8817 -7.8817 -5.1079 -5.1079 -4.6222 -4.6222 -4.2983 -4.2983 -3.8089 -3.8089 -3.4226 -3.4226 -2.9245 -2.9245 -2.7801 -2.7801 -2.2624 -2.2624 -2.2207 -2.2207 -2.0701 -2.0701 -1.9409 -1.9409 2.1203 2.1203 2.1648 2.1648 2.4572 2.4572 2.4834 2.4834 2.5373 2.5373 5.3680 5.3680 6.7157 6.7157 6.8426 6.8426 6.8907 6.8907 6.9872 6.9872 7.9699 7.9699 8.1769 8.1769 8.7357 8.7357 8.8971 8.8971 10.2947 10.2947 11.1438 11.1438 11.2050 11.2050 11.6636 11.6636 11.9346 11.9346 12.0861 12.0861 k = 0.0000 0.1410 0.2204 ( 5702 PWs) bands (ev): -18.2743 -18.2743 -17.8163 -17.8163 -17.7696 -17.7696 -7.8898 -7.8898 -5.1126 -5.1126 -4.6401 -4.6401 -4.3090 -4.3090 -3.8018 -3.8018 -3.4506 -3.4506 -2.9139 -2.9139 -2.7717 -2.7717 -2.2648 -2.2648 -2.2179 -2.2179 -2.0561 -2.0561 -1.9140 -1.9140 2.1206 2.1206 2.1645 2.1645 2.4566 2.4566 2.4832 2.4832 2.5411 2.5411 5.3738 5.3738 6.6781 6.6781 6.8171 6.8171 6.8739 6.8739 6.9822 6.9822 7.9057 7.9057 8.1370 8.1370 8.6805 8.6805 8.8579 8.8579 10.3675 10.3675 11.1625 11.1625 11.2459 11.2459 11.6563 11.6563 11.9596 11.9596 12.1702 12.1702 k = 0.0000 0.1538 0.2204 ( 5694 PWs) bands (ev): -18.2717 -18.2717 -17.8146 -17.8146 -17.7689 -17.7689 -7.8985 -7.8985 -5.1182 -5.1182 -4.6584 -4.6584 -4.3205 -4.3205 -3.7947 -3.7947 -3.4770 -3.4770 -2.9035 -2.9035 -2.7641 -2.7641 -2.2673 -2.2673 -2.2150 -2.2150 -2.0409 -2.0409 -1.8864 -1.8864 2.1209 2.1209 2.1642 2.1642 2.4559 2.4559 2.4831 2.4831 2.5451 2.5451 5.3801 5.3801 6.6380 6.6380 6.7895 6.7895 6.8570 6.8570 6.9770 6.9770 7.8391 7.8391 8.0957 8.0957 8.6234 8.6234 8.8172 8.8172 10.4455 10.4455 11.1512 11.1512 11.3156 11.3156 11.6545 11.6545 11.9872 11.9872 12.2582 12.2582 k = 0.0000 0.1667 0.2204 ( 5682 PWs) bands (ev): -18.2690 -18.2690 -17.8128 -17.8128 -17.7681 -17.7681 -7.9076 -7.9076 -5.1248 -5.1248 -4.6768 -4.6768 -4.3327 -4.3327 -3.7875 -3.7875 -3.5019 -3.5019 -2.8932 -2.8932 -2.7574 -2.7574 -2.2701 -2.2701 -2.2118 -2.2118 -2.0246 -2.0246 -1.8580 -1.8580 2.1212 2.1212 2.1639 2.1639 2.4551 2.4551 2.4830 2.4830 2.5496 2.5496 5.3870 5.3870 6.5960 6.5960 6.7602 6.7602 6.8396 6.8396 6.9716 6.9716 7.7710 7.7710 8.0530 8.0530 8.5647 8.5647 8.7753 8.7753 10.5284 10.5284 11.1302 11.1302 11.3937 11.3937 11.6582 11.6582 12.0174 12.0174 12.3488 12.3488 k = 0.0000 0.1795 0.2204 ( 5694 PWs) bands (ev): -18.2662 -18.2662 -17.8110 -17.8110 -17.7674 -17.7674 -7.9172 -7.9172 -5.1325 -5.1325 -4.6950 -4.6950 -4.3456 -4.3456 -3.7805 -3.7805 -3.5251 -3.5251 -2.8828 -2.8828 -2.7515 -2.7515 -2.2732 -2.2732 -2.2085 -2.2085 -2.0073 -2.0073 -1.8293 -1.8293 2.1214 2.1214 2.1634 2.1634 2.4542 2.4542 2.4829 2.4829 2.5543 2.5543 5.3944 5.3944 6.5526 6.5526 6.7296 6.7296 6.8214 6.8214 6.9658 6.9658 7.7021 7.7021 8.0092 8.0092 8.5051 8.5051 8.7324 8.7324 10.6158 10.6158 11.1038 11.1038 11.4763 11.4763 11.6671 11.6671 12.0504 12.0504 12.4410 12.4410 k = 0.0000 0.1923 0.2204 ( 5684 PWs) bands (ev): -18.2633 -18.2633 -17.8090 -17.8090 -17.7666 -17.7666 -7.9271 -7.9271 -5.1414 -5.1414 -4.7129 -4.7129 -4.3590 -4.3590 -3.7735 -3.7735 -3.5465 -3.5465 -2.8722 -2.8722 -2.7464 -2.7464 -2.2767 -2.2767 -2.2049 -2.2049 -1.9893 -1.9893 -1.8004 -1.8004 2.1217 2.1217 2.1629 2.1629 2.4531 2.4531 2.4830 2.4830 2.5593 2.5593 5.4023 5.4023 6.5082 6.5082 6.6981 6.6981 6.8021 6.8021 6.9599 6.9599 7.6330 7.6330 7.9646 7.9646 8.4450 8.4450 8.6888 8.6888 10.7076 10.7076 11.0735 11.0735 11.5609 11.5609 11.6818 11.6818 12.0860 12.0860 12.5335 12.5335 k = 0.0000 0.2051 0.2204 ( 5692 PWs) bands (ev): -18.2603 -18.2603 -17.8070 -17.8070 -17.7657 -17.7657 -7.9373 -7.9373 -5.1515 -5.1515 -4.7304 -4.7304 -4.3728 -4.3728 -3.7668 -3.7668 -3.5661 -3.5661 -2.8614 -2.8614 -2.7421 -2.7421 -2.2806 -2.2806 -2.2011 -2.2011 -1.9708 -1.9708 -1.7714 -1.7714 2.1219 2.1219 2.1623 2.1623 2.4520 2.4520 2.4830 2.4830 2.5645 2.5645 5.4108 5.4108 6.4632 6.4632 6.6658 6.6658 6.7815 6.7815 6.9538 6.9538 7.5645 7.5645 7.9195 7.9195 8.3847 8.3847 8.6448 8.6448 10.8034 10.8034 11.0407 11.0407 11.6399 11.6399 11.7083 11.7083 12.1242 12.1242 12.6251 12.6251 k = 0.0000 0.2179 0.2204 ( 5700 PWs) bands (ev): -18.2571 -18.2571 -17.8050 -17.8050 -17.7649 -17.7649 -7.9478 -7.9478 -5.1628 -5.1628 -4.7473 -4.7473 -4.3868 -4.3868 -3.7604 -3.7604 -3.5838 -3.5838 -2.8503 -2.8503 -2.7384 -2.7384 -2.2850 -2.2850 -2.1971 -2.1971 -1.9519 -1.9519 -1.7425 -1.7425 2.1221 2.1221 2.1616 2.1616 2.4507 2.4507 2.4832 2.4832 2.5700 2.5700 5.4198 5.4198 6.4181 6.4181 6.6331 6.6331 6.7596 6.7596 6.9476 6.9476 7.4971 7.4971 7.8741 7.8741 8.3247 8.3247 8.6007 8.6007 10.9027 10.9027 11.0066 11.0066 11.6878 11.6878 11.7709 11.7709 12.1651 12.1651 12.7146 12.7146 k = 0.0000 0.2308 0.2204 ( 5696 PWs) bands (ev): -18.2540 -18.2540 -17.8029 -17.8029 -17.7641 -17.7641 -7.9584 -7.9584 -5.1753 -5.1753 -4.7636 -4.7636 -4.4008 -4.4008 -3.7542 -3.7542 -3.5996 -3.5996 -2.8388 -2.8388 -2.7353 -2.7353 -2.2899 -2.2899 -2.1930 -2.1930 -1.9327 -1.9327 -1.7139 -1.7139 2.1223 2.1223 2.1609 2.1609 2.4494 2.4494 2.4834 2.4834 2.5758 2.5758 5.4293 5.4293 6.3731 6.3731 6.6001 6.6001 6.7360 6.7360 6.9412 6.9412 7.4314 7.4314 7.8287 7.8287 8.2653 8.2653 8.5567 8.5567 10.9705 10.9705 11.0066 11.0066 11.7130 11.7130 11.8597 11.8597 12.2087 12.2087 12.8013 12.8013 k = 0.0000 0.2436 0.2204 ( 5704 PWs) bands (ev): -18.2507 -18.2507 -17.8008 -17.8008 -17.7632 -17.7632 -7.9691 -7.9691 -5.1888 -5.1888 -4.7792 -4.7792 -4.4146 -4.4146 -3.7485 -3.7485 -3.6136 -3.6136 -2.8271 -2.8271 -2.7328 -2.7328 -2.2952 -2.2952 -2.1887 -2.1887 -1.9135 -1.9135 -1.6857 -1.6857 2.1224 2.1224 2.1602 2.1602 2.4479 2.4479 2.4836 2.4836 2.5817 2.5817 5.4393 5.4393 6.3285 6.3285 6.5672 6.5672 6.7106 6.7106 6.9349 6.9349 7.3679 7.3679 7.7836 7.7836 8.2066 8.2066 8.5131 8.5131 10.9364 10.9364 11.1115 11.1115 11.7343 11.7343 11.9549 11.9549 12.2549 12.2549 12.8847 12.8847 k = 0.0000 0.2564 0.2204 ( 5706 PWs) bands (ev): -18.2475 -18.2475 -17.7987 -17.7987 -17.7624 -17.7624 -7.9798 -7.9798 -5.2032 -5.2032 -4.7943 -4.7943 -4.4280 -4.4280 -3.7433 -3.7433 -3.6258 -3.6258 -2.8151 -2.8151 -2.7307 -2.7307 -2.3011 -2.3011 -2.1843 -2.1843 -1.8944 -1.8944 -1.6581 -1.6581 2.1225 2.1225 2.1594 2.1594 2.4465 2.4465 2.4839 2.4839 2.5878 2.5878 5.4499 5.4499 6.2846 6.2846 6.5346 6.5346 6.6834 6.6834 6.9285 6.9285 7.3073 7.3073 7.7390 7.7390 8.1492 8.1492 8.4701 8.4701 10.9022 10.9022 11.2194 11.2194 11.7550 11.7550 12.0517 12.0517 12.3036 12.3036 12.9645 12.9645 k = 0.0000 0.2692 0.2204 ( 5702 PWs) bands (ev): -18.2443 -18.2443 -17.7966 -17.7966 -17.7616 -17.7616 -7.9905 -7.9905 -5.2184 -5.2184 -4.8088 -4.8088 -4.4409 -4.4409 -3.7386 -3.7386 -3.6361 -3.6361 -2.8028 -2.8028 -2.7290 -2.7290 -2.3074 -2.3074 -2.1799 -2.1799 -1.8755 -1.8755 -1.6311 -1.6311 2.1226 2.1226 2.1585 2.1585 2.4450 2.4450 2.4843 2.4843 2.5940 2.5940 5.4609 5.4609 6.2417 6.2417 6.5024 6.5024 6.6542 6.6542 6.9222 6.9222 7.2498 7.2498 7.6953 7.6953 8.0931 8.0931 8.4281 8.4281 10.8689 10.8689 11.3291 11.3291 11.7758 11.7758 12.1480 12.1480 12.3549 12.3549 13.0407 13.0407 k = 0.0000 0.2821 0.2204 ( 5706 PWs) bands (ev): -18.2410 -18.2410 -17.7945 -17.7945 -17.7608 -17.7608 -8.0011 -8.0011 -5.2342 -5.2342 -4.8228 -4.8228 -4.4531 -4.4531 -3.7346 -3.7346 -3.6447 -3.6447 -2.7903 -2.7903 -2.7275 -2.7275 -2.3142 -2.3142 -2.1754 -2.1754 -1.8570 -1.8570 -1.6050 -1.6050 2.1227 2.1227 2.1576 2.1576 2.4434 2.4434 2.4847 2.4847 2.6003 2.6003 5.4724 5.4724 6.2001 6.2001 6.4708 6.4708 6.6230 6.6230 6.9160 6.9160 7.1960 7.1960 7.6526 7.6526 8.0387 8.0387 8.3871 8.3871 10.8369 10.8369 11.4400 11.4400 11.7968 11.7968 12.2421 12.2421 12.4087 12.4087 13.1133 13.1133 k = 0.0000 0.2949 0.2204 ( 5708 PWs) bands (ev): -18.2378 -18.2378 -17.7925 -17.7925 -17.7600 -17.7600 -8.0114 -8.0114 -5.2504 -5.2504 -4.8363 -4.8363 -4.4644 -4.4644 -3.7313 -3.7313 -3.6516 -3.6516 -2.7776 -2.7776 -2.7262 -2.7262 -2.3215 -2.3215 -2.1709 -2.1709 -1.8390 -1.8390 -1.5799 -1.5799 2.1227 2.1227 2.1567 2.1567 2.4419 2.4419 2.4850 2.4850 2.6066 2.6066 5.4843 5.4843 6.1598 6.1598 6.4401 6.4401 6.5899 6.5899 6.9099 6.9099 7.1461 7.1461 7.6111 7.6111 7.9861 7.9861 8.3474 8.3474 10.8064 10.8064 11.5513 11.5513 11.8181 11.8181 12.3319 12.3319 12.4649 12.4649 13.1826 13.1826 k = 0.0000 0.3077 0.2204 ( 5704 PWs) bands (ev): -18.2347 -18.2347 -17.7905 -17.7905 -17.7592 -17.7592 -8.0215 -8.0215 -5.2667 -5.2667 -4.8495 -4.8495 -4.4747 -4.4747 -3.7289 -3.7289 -3.6567 -3.6567 -2.7650 -2.7650 -2.7248 -2.7248 -2.3292 -2.3292 -2.1665 -2.1665 -1.8216 -1.8216 -1.5557 -1.5557 2.1227 2.1227 2.1557 2.1557 2.4404 2.4404 2.4854 2.4854 2.6130 2.6130 5.4966 5.4966 6.1211 6.1211 6.4104 6.4104 6.5549 6.5549 6.9040 6.9040 7.1002 7.1002 7.5712 7.5712 7.9356 7.9356 8.3092 8.3092 10.7776 10.7776 11.6624 11.6624 11.8395 11.8395 12.4151 12.4151 12.5236 12.5236 13.2488 13.2488 k = 0.0000 0.3205 0.2204 ( 5714 PWs) bands (ev): -18.2317 -18.2317 -17.7885 -17.7885 -17.7585 -17.7585 -8.0313 -8.0313 -5.2830 -5.2830 -4.8623 -4.8623 -4.4841 -4.4841 -3.7273 -3.7273 -3.6602 -3.6602 -2.7529 -2.7529 -2.7231 -2.7231 -2.3374 -2.3374 -2.1621 -2.1621 -1.8048 -1.8048 -1.5327 -1.5327 2.1227 2.1227 2.1548 2.1548 2.4388 2.4388 2.4858 2.4858 2.6193 2.6193 5.5094 5.5094 6.0842 6.0842 6.3818 6.3818 6.5184 6.5184 6.8982 6.8982 7.0585 7.0585 7.5329 7.5329 7.8873 7.8873 8.2727 8.2727 10.7507 10.7507 11.7723 11.7723 11.8612 11.8612 12.4889 12.4889 12.5846 12.5846 13.3122 13.3122 k = 0.0000 0.3333 0.2204 ( 5722 PWs) bands (ev): -18.2288 -18.2288 -17.7866 -17.7866 -17.7578 -17.7578 -8.0408 -8.0408 -5.2990 -5.2990 -4.8748 -4.8748 -4.4924 -4.4924 -3.7265 -3.7265 -3.6622 -3.6622 -2.7421 -2.7421 -2.7198 -2.7198 -2.3459 -2.3459 -2.1579 -2.1579 -1.7889 -1.7889 -1.5109 -1.5109 2.1226 2.1226 2.1538 2.1538 2.4374 2.4374 2.4862 2.4862 2.6254 2.6254 5.5225 5.5225 6.0493 6.0493 6.3546 6.3546 6.4807 6.4807 6.8927 6.8927 7.0209 7.0209 7.4964 7.4964 7.8415 7.8415 8.2380 8.2380 10.7256 10.7256 11.8799 11.8799 11.8833 11.8833 12.5505 12.5505 12.6480 12.6480 13.3732 13.3732 k = 0.0000 0.3462 0.2204 ( 5706 PWs) bands (ev): -18.2259 -18.2259 -17.7848 -17.7848 -17.7571 -17.7571 -8.0497 -8.0497 -5.3145 -5.3145 -4.8868 -4.8868 -4.4996 -4.4996 -3.7265 -3.7265 -3.6631 -3.6631 -2.7349 -2.7349 -2.7132 -2.7132 -2.3548 -2.3548 -2.1538 -2.1538 -1.7738 -1.7738 -1.4904 -1.4904 2.1226 2.1226 2.1528 2.1528 2.4360 2.4360 2.4867 2.4867 2.6315 2.6315 5.5360 5.5360 6.0164 6.0164 6.3288 6.3288 6.4424 6.4424 6.8874 6.8874 6.9873 6.9873 7.4620 7.4620 7.7983 7.7983 8.2053 8.2053 10.7025 10.7025 11.9053 11.9053 11.9847 11.9847 12.5974 12.5974 12.7135 12.7135 13.4323 13.4323 k = 0.0000 0.3590 0.2204 ( 5716 PWs) bands (ev): -18.2233 -18.2233 -17.7831 -17.7831 -17.7565 -17.7565 -8.0582 -8.0582 -5.3295 -5.3295 -4.8983 -4.8983 -4.5059 -4.5059 -3.7269 -3.7269 -3.6630 -3.6630 -2.7314 -2.7314 -2.7028 -2.7028 -2.3640 -2.3640 -2.1500 -2.1500 -1.7596 -1.7596 -1.4713 -1.4713 2.1225 2.1225 2.1519 2.1519 2.4346 2.4346 2.4870 2.4870 2.6373 2.6373 5.5497 5.5497 5.9857 5.9857 6.3045 6.3045 6.4038 6.4038 6.8822 6.8822 6.9576 6.9576 7.4298 7.4298 7.7578 7.7578 8.1747 8.1747 10.6814 10.6814 11.9278 11.9278 12.0851 12.0851 12.6283 12.6283 12.7811 12.7811 13.4898 13.4898 k = 0.0000 0.3718 0.2204 ( 5712 PWs) bands (ev): -18.2208 -18.2208 -17.7815 -17.7815 -17.7559 -17.7559 -8.0662 -8.0662 -5.3436 -5.3436 -4.9093 -4.9093 -4.5112 -4.5112 -3.7277 -3.7277 -3.6622 -3.6622 -2.7299 -2.7299 -2.6906 -2.6906 -2.3735 -2.3735 -2.1463 -2.1463 -1.7465 -1.7465 -1.4536 -1.4536 2.1224 2.1224 2.1510 2.1510 2.4333 2.4333 2.4874 2.4874 2.6428 2.6428 5.5635 5.5635 5.9573 5.9573 6.2820 6.2820 6.3657 6.3657 6.8770 6.8770 6.9317 6.9317 7.3999 7.3999 7.7203 7.7203 8.1464 8.1464 10.6623 10.6623 11.9506 11.9506 12.1801 12.1801 12.6435 12.6435 12.8508 12.8508 13.5456 13.5456 k = 0.0000 0.3846 0.2204 ( 5718 PWs) bands (ev): -18.2185 -18.2185 -17.7801 -17.7801 -17.7554 -17.7554 -8.0735 -8.0735 -5.3568 -5.3568 -4.9197 -4.9197 -4.5157 -4.5157 -3.7286 -3.7286 -3.6611 -3.6611 -2.7293 -2.7293 -2.6778 -2.6778 -2.3831 -2.3831 -2.1429 -2.1429 -1.7344 -1.7344 -1.4374 -1.4374 2.1223 2.1223 2.1501 2.1501 2.4321 2.4321 2.4877 2.4877 2.6480 2.6480 5.5775 5.5775 5.9314 5.9314 6.2613 6.2613 6.3285 6.3285 6.8714 6.8714 6.9098 6.9098 7.3724 7.3724 7.6859 7.6859 8.1205 8.1205 10.6452 10.6452 11.9737 11.9737 12.2686 12.2686 12.6450 12.6450 12.9223 12.9223 13.5944 13.5944 k = 0.0000 0.3974 0.2204 ( 5716 PWs) bands (ev): -18.2163 -18.2163 -17.7787 -17.7787 -17.7549 -17.7549 -8.0802 -8.0802 -5.3690 -5.3690 -4.9293 -4.9293 -4.5194 -4.5194 -3.7296 -3.7296 -3.6597 -3.6597 -2.7289 -2.7289 -2.6649 -2.6649 -2.3929 -2.3929 -2.1398 -2.1398 -1.7234 -1.7234 -1.4228 -1.4228 2.1222 2.1222 2.1493 2.1493 2.4310 2.4310 2.4881 2.4881 2.6528 2.6528 5.5913 5.5913 5.9079 5.9079 6.2424 6.2424 6.2929 6.2929 6.8643 6.8643 6.8928 6.8928 7.3476 7.3476 7.6547 7.6547 8.0970 8.0970 10.6301 10.6301 11.9968 11.9968 12.3495 12.3495 12.6356 12.6356 12.9956 12.9956 13.6233 13.6233 k = 0.0000 0.4103 0.2204 ( 5706 PWs) bands (ev): -18.2144 -18.2144 -17.7775 -17.7775 -17.7545 -17.7545 -8.0862 -8.0862 -5.3800 -5.3800 -4.9380 -4.9380 -4.5224 -4.5224 -3.7306 -3.7306 -3.6582 -3.6582 -2.7288 -2.7288 -2.6522 -2.6522 -2.4026 -2.4026 -2.1370 -2.1370 -1.7137 -1.7137 -1.4098 -1.4098 2.1222 2.1222 2.1486 2.1486 2.4301 2.4301 2.4884 2.4884 2.6572 2.6572 5.6048 5.6048 5.8870 5.8870 6.2255 6.2255 6.2594 6.2594 6.8546 6.8546 6.8815 6.8815 7.3254 7.3254 7.6268 7.6268 8.0760 8.0760 10.6168 10.6168 12.0200 12.0200 12.4221 12.4221 12.6184 12.6184 13.0702 13.0702 13.6464 13.6464 k = 0.0000 0.4231 0.2204 ( 5706 PWs) bands (ev): -18.2127 -18.2127 -17.7764 -17.7764 -17.7541 -17.7541 -8.0915 -8.0915 -5.3897 -5.3897 -4.9458 -4.9458 -4.5248 -4.5248 -3.7314 -3.7314 -3.6568 -3.6568 -2.7288 -2.7288 -2.6400 -2.6400 -2.4122 -2.4122 -2.1345 -2.1345 -1.7051 -1.7051 -1.3984 -1.3984 2.1221 2.1221 2.1480 2.1480 2.4292 2.4292 2.4887 2.4887 2.6612 2.6612 5.6178 5.6178 5.8688 5.8688 6.2105 6.2105 6.2287 6.2287 6.8433 6.8433 6.8749 6.8749 7.3060 7.3060 7.6024 7.6024 8.0577 8.0577 10.6055 10.6055 12.0428 12.0428 12.4855 12.4855 12.5965 12.5965 13.1460 13.1460 13.6658 13.6658 k = 0.0000 0.4359 0.2204 ( 5700 PWs) bands (ev): -18.2113 -18.2113 -17.7755 -17.7755 -17.7538 -17.7538 -8.0960 -8.0960 -5.3981 -5.3981 -4.9526 -4.9526 -4.5267 -4.5267 -3.7322 -3.7322 -3.6555 -3.6555 -2.7288 -2.7288 -2.6286 -2.6286 -2.4213 -2.4213 -2.1324 -2.1324 -1.6978 -1.6978 -1.3887 -1.3887 2.1220 2.1220 2.1474 2.1474 2.4285 2.4285 2.4889 2.4889 2.6646 2.6646 5.6299 5.6299 5.8532 5.8532 6.1959 6.1959 6.2031 6.2031 6.8324 6.8324 6.8709 6.8709 7.2894 7.2894 7.5815 7.5815 8.0421 8.0421 10.5959 10.5959 12.0649 12.0649 12.5389 12.5389 12.5728 12.5728 13.2224 13.2224 13.6810 13.6810 k = 0.0000 0.4487 0.2204 ( 5700 PWs) bands (ev): -18.2101 -18.2101 -17.7748 -17.7748 -17.7536 -17.7536 -8.0998 -8.0998 -5.4050 -5.4050 -4.9583 -4.9583 -4.5281 -4.5281 -3.7328 -3.7328 -3.6544 -3.6544 -2.7288 -2.7288 -2.6182 -2.6182 -2.4298 -2.4298 -2.1306 -2.1306 -1.6918 -1.6918 -1.3807 -1.3807 2.1219 2.1219 2.1470 2.1470 2.4278 2.4278 2.4891 2.4891 2.6674 2.6674 5.6408 5.6408 5.8404 5.8404 6.1754 6.1754 6.1893 6.1893 6.8230 6.8230 6.8681 6.8681 7.2758 7.2758 7.5643 7.5643 8.0293 8.0293 10.5882 10.5882 12.0856 12.0856 12.5469 12.5469 12.5845 12.5845 13.2985 13.2985 13.6924 13.6924 k = 0.0000 0.4615 0.2204 ( 5698 PWs) bands (ev): -18.2091 -18.2091 -17.7742 -17.7742 -17.7534 -17.7534 -8.1027 -8.1027 -5.4105 -5.4105 -4.9627 -4.9627 -4.5292 -4.5292 -3.7333 -3.7333 -3.6535 -3.6535 -2.7289 -2.7289 -2.6093 -2.6093 -2.4372 -2.4372 -2.1292 -2.1292 -1.6870 -1.6870 -1.3745 -1.3745 2.1218 2.1218 2.1466 2.1466 2.4274 2.4274 2.4892 2.4892 2.6697 2.6697 5.6499 5.6499 5.8304 5.8304 6.1564 6.1564 6.1808 6.1808 6.8155 6.8155 6.8662 6.8662 7.2651 7.2651 7.5509 7.5509 8.0192 8.0192 10.5823 10.5823 12.1039 12.1039 12.5252 12.5252 12.6182 12.6182 13.3726 13.3726 13.7003 13.7003 k = 0.0000 0.4744 0.2204 ( 5698 PWs) bands (ev): -18.2085 -18.2085 -17.7738 -17.7738 -17.7532 -17.7532 -8.1048 -8.1048 -5.4144 -5.4144 -4.9660 -4.9660 -4.5299 -4.5299 -3.7336 -3.7336 -3.6528 -3.6528 -2.7289 -2.7289 -2.6024 -2.6024 -2.4431 -2.4431 -2.1282 -2.1282 -1.6837 -1.6837 -1.3700 -1.3700 2.1218 2.1218 2.1463 2.1463 2.4270 2.4270 2.4893 2.4893 2.6713 2.6713 5.6570 5.6570 5.8232 5.8232 6.1420 6.1420 6.1748 6.1748 6.8102 6.8102 6.8650 6.8650 7.2574 7.2574 7.5412 7.5412 8.0120 8.0120 10.5780 10.5780 12.1186 12.1186 12.5073 12.5073 12.6424 12.6424 13.4410 13.4410 13.7055 13.7055 k = 0.0000 0.4872 0.2204 ( 5694 PWs) bands (ev): -18.2080 -18.2080 -17.7735 -17.7735 -17.7531 -17.7531 -8.1061 -8.1061 -5.4168 -5.4168 -4.9679 -4.9679 -4.5304 -4.5304 -3.7338 -3.7338 -3.6524 -3.6524 -2.7290 -2.7290 -2.5979 -2.5979 -2.4468 -2.4468 -2.1276 -2.1276 -1.6816 -1.6816 -1.3674 -1.3674 2.1218 2.1218 2.1462 2.1462 2.4268 2.4268 2.4894 2.4894 2.6723 2.6723 5.6614 5.6614 5.8188 5.8188 6.1332 6.1332 6.1713 6.1713 6.8069 6.8069 6.8642 6.8642 7.2528 7.2528 7.5354 7.5354 8.0077 8.0077 10.5755 10.5755 12.1283 12.1283 12.4955 12.4955 12.6569 12.6569 13.4951 13.4951 13.7085 13.7085 k = 0.0000 0.5000 0.2204 ( 5688 PWs) bands (ev): -18.2079 -18.2079 -17.7734 -17.7734 -17.7531 -17.7531 -8.1065 -8.1065 -5.4176 -5.4176 -4.9686 -4.9686 -4.5305 -4.5305 -3.7339 -3.7339 -3.6522 -3.6522 -2.7290 -2.7290 -2.5964 -2.5964 -2.4482 -2.4482 -2.1274 -2.1274 -1.6809 -1.6809 -1.3665 -1.3665 2.1218 2.1218 2.1461 2.1461 2.4267 2.4267 2.4895 2.4895 2.6726 2.6726 5.6629 5.6629 5.8174 5.8174 6.1302 6.1302 6.1701 6.1701 6.8058 6.8058 6.8640 6.8640 7.2513 7.2513 7.5334 7.5334 8.0063 8.0063 10.5746 10.5746 12.1316 12.1316 12.4913 12.4913 12.6618 12.6618 13.5174 13.5174 13.7096 13.7096 k = 0.0000 0.5000 0.2204 ( 5688 PWs) bands (ev): -18.2079 -18.2079 -17.7734 -17.7734 -17.7531 -17.7531 -8.1065 -8.1065 -5.4176 -5.4176 -4.9686 -4.9686 -4.5305 -4.5305 -3.7339 -3.7339 -3.6522 -3.6522 -2.7290 -2.7290 -2.5964 -2.5964 -2.4482 -2.4482 -2.1274 -2.1274 -1.6809 -1.6809 -1.3665 -1.3665 2.1218 2.1218 2.1461 2.1461 2.4267 2.4267 2.4895 2.4895 2.6726 2.6726 5.6629 5.6629 5.8174 5.8174 6.1302 6.1302 6.1701 6.1701 6.8058 6.8058 6.8640 6.8640 7.2513 7.2513 7.5334 7.5334 8.0063 8.0063 10.5746 10.5746 12.1316 12.1316 12.4913 12.4913 12.6618 12.6618 13.5174 13.5174 13.7096 13.7096 k = 0.0128 0.5000 0.2204 ( 5684 PWs) bands (ev): -18.2078 -18.2078 -17.7733 -17.7733 -17.7530 -17.7530 -8.1062 -8.1062 -5.4170 -5.4170 -4.9682 -4.9682 -4.5310 -4.5310 -3.7337 -3.7337 -3.6527 -3.6527 -2.7303 -2.7303 -2.5969 -2.5969 -2.4485 -2.4485 -2.1281 -2.1281 -1.6823 -1.6823 -1.3681 -1.3681 2.1219 2.1219 2.1462 2.1462 2.4268 2.4268 2.4895 2.4895 2.6724 2.6724 5.6636 5.6636 5.8195 5.8195 6.1319 6.1319 6.1714 6.1714 6.8070 6.8070 6.8643 6.8643 7.2530 7.2530 7.5359 7.5359 8.0079 8.0079 10.5728 10.5728 12.1233 12.1233 12.4842 12.4842 12.6632 12.6632 13.5254 13.5254 13.6569 13.6569 k = 0.0256 0.5000 0.2204 ( 5688 PWs) bands (ev): -18.2076 -18.2076 -17.7731 -17.7731 -17.7528 -17.7528 -8.1052 -8.1052 -5.4153 -5.4153 -4.9669 -4.9669 -4.5324 -4.5324 -3.7331 -3.7331 -3.6541 -3.6541 -2.7341 -2.7341 -2.5984 -2.5984 -2.4494 -2.4494 -2.1300 -2.1300 -1.6865 -1.6865 -1.3729 -1.3729 2.1220 2.1220 2.1466 2.1466 2.4270 2.4270 2.4896 2.4896 2.6718 2.6718 5.6656 5.6656 5.8258 5.8258 6.1369 6.1369 6.1752 6.1752 6.8104 6.8104 6.8652 6.8652 7.2580 7.2580 7.5435 7.5435 8.0130 8.0130 10.5672 10.5672 12.0983 12.0983 12.4637 12.4637 12.6673 12.6673 13.5473 13.5473 13.5779 13.5779 k = 0.0385 0.5000 0.2204 ( 5692 PWs) bands (ev): -18.2073 -18.2073 -17.7728 -17.7728 -17.7525 -17.7525 -8.1035 -8.1035 -5.4125 -5.4125 -4.9648 -4.9648 -4.5347 -4.5347 -3.7322 -3.7322 -3.6565 -3.6565 -2.7406 -2.7406 -2.6009 -2.6009 -2.4510 -2.4510 -2.1332 -2.1332 -1.6934 -1.6934 -1.3809 -1.3809 2.1223 2.1223 2.1471 2.1471 2.4273 2.4273 2.4898 2.4898 2.6709 2.6709 5.6690 5.6690 5.8362 5.8362 6.1452 6.1452 6.1816 6.1816 6.8161 6.8161 6.8668 6.8668 7.2662 7.2662 7.5560 7.5560 8.0214 8.0214 10.5580 10.5580 12.0577 12.0577 12.4323 12.4323 12.6742 12.6742 13.4993 13.4993 13.5854 13.5854 k = 0.0513 0.5000 0.2204 ( 5684 PWs) bands (ev): -18.2068 -18.2068 -17.7723 -17.7723 -17.7520 -17.7520 -8.1011 -8.1011 -5.4086 -5.4086 -4.9620 -4.9620 -4.5380 -4.5380 -3.7310 -3.7310 -3.6597 -3.6597 -2.7495 -2.7495 -2.6042 -2.6042 -2.4533 -2.4533 -2.1376 -2.1376 -1.7029 -1.7029 -1.3920 -1.3920 2.1227 2.1227 2.1479 2.1479 2.4278 2.4278 2.4902 2.4902 2.6697 2.6697 5.6738 5.6738 5.8507 5.8507 6.1566 6.1566 6.1906 6.1906 6.8242 6.8242 6.8690 6.8690 7.2777 7.2777 7.5734 7.5734 8.0331 8.0331 10.5449 10.5449 12.0024 12.0024 12.3933 12.3933 12.6838 12.6838 13.4310 13.4310 13.6295 13.6295 k = 0.0641 0.5000 0.2204 ( 5676 PWs) bands (ev): -18.2061 -18.2061 -17.7716 -17.7716 -17.7513 -17.7513 -8.0982 -8.0982 -5.4037 -5.4037 -4.9583 -4.9583 -4.5421 -4.5421 -3.7295 -3.7295 -3.6637 -3.6637 -2.7608 -2.7608 -2.6082 -2.6082 -2.4563 -2.4563 -2.1433 -2.1433 -1.7151 -1.7151 -1.4063 -1.4063 2.1232 2.1232 2.1489 2.1489 2.4284 2.4284 2.4906 2.4906 2.6681 2.6681 5.6800 5.6800 5.8690 5.8690 6.1708 6.1708 6.2019 6.2019 6.8344 6.8344 6.8722 6.8722 7.2923 7.2923 7.5955 7.5955 8.0480 8.0480 10.5279 10.5279 11.9342 11.9342 12.3497 12.3497 12.6959 12.6959 13.3703 13.3703 13.6789 13.6789 k = 0.0769 0.5000 0.2204 ( 5672 PWs) bands (ev): -18.2054 -18.2054 -17.7708 -17.7708 -17.7506 -17.7506 -8.0945 -8.0945 -5.3977 -5.3977 -4.9539 -4.9539 -4.5470 -4.5470 -3.7279 -3.7279 -3.6683 -3.6683 -2.7745 -2.7745 -2.6129 -2.6129 -2.4601 -2.4601 -2.1500 -2.1500 -1.7298 -1.7298 -1.4235 -1.4235 2.1238 2.1238 2.1501 2.1501 2.4291 2.4291 2.4911 2.4911 2.6662 2.6662 5.6876 5.6876 5.8911 5.8911 6.1875 6.1875 6.2157 6.2157 6.8466 6.8466 6.8767 6.8767 7.3098 7.3098 7.6222 7.6222 8.0661 8.0661 10.5071 10.5071 11.8550 11.8550 12.3044 12.3044 12.7105 12.7105 13.3169 13.3169 13.7302 13.7302 k = 0.0897 0.5000 0.2204 ( 5684 PWs) bands (ev): -18.2045 -18.2045 -17.7699 -17.7699 -17.7497 -17.7497 -8.0903 -8.0903 -5.3908 -5.3908 -4.9487 -4.9487 -4.5528 -4.5528 -3.7265 -3.7265 -3.6732 -3.6732 -2.7903 -2.7903 -2.6180 -2.6180 -2.4647 -2.4647 -2.1579 -2.1579 -1.7469 -1.7469 -1.4437 -1.4437 2.1244 2.1244 2.1513 2.1513 2.4298 2.4298 2.4917 2.4917 2.6640 2.6640 5.6967 5.6967 5.9167 5.9167 6.2064 6.2064 6.2319 6.2319 6.8594 6.8594 6.8837 6.8837 7.3301 7.3301 7.6534 7.6534 8.0871 8.0871 10.4824 10.4824 11.7666 11.7666 12.2593 12.2593 12.7274 12.7274 13.2697 13.2697 13.7807 13.7807 k = 0.1026 0.5000 0.2204 ( 5692 PWs) bands (ev): -18.2034 -18.2034 -17.7689 -17.7689 -17.7486 -17.7486 -8.0855 -8.0855 -5.3829 -5.3829 -4.9429 -4.9429 -4.5592 -4.5592 -3.7256 -3.7256 -3.6780 -3.6780 -2.8081 -2.8081 -2.6237 -2.6237 -2.4702 -2.4702 -2.1668 -2.1668 -1.7663 -1.7663 -1.4668 -1.4668 2.1251 2.1251 2.1528 2.1528 2.4306 2.4306 2.4923 2.4923 2.6615 2.6615 5.7074 5.7074 5.9457 5.9457 6.2271 6.2271 6.2503 6.2503 6.8704 6.8704 6.8961 6.8961 7.3530 7.3530 7.6888 7.6888 8.1109 8.1109 10.4538 10.4538 11.6710 11.6710 12.2164 12.2164 12.7464 12.7464 13.2277 13.2277 13.8283 13.8283 k = 0.1154 0.5000 0.2204 ( 5692 PWs) bands (ev): -18.2023 -18.2023 -17.7678 -17.7678 -17.7475 -17.7475 -8.0801 -8.0801 -5.3742 -5.3742 -4.9365 -4.9365 -4.5662 -4.5662 -3.7261 -3.7261 -3.6817 -3.6817 -2.8277 -2.8277 -2.6297 -2.6297 -2.4764 -2.4764 -2.1767 -2.1767 -1.7878 -1.7878 -1.4926 -1.4926 2.1259 2.1259 2.1544 2.1544 2.4316 2.4316 2.4931 2.4931 2.6588 2.6588 5.7195 5.7195 5.9779 5.9779 6.2491 6.2491 6.2709 6.2709 6.8784 6.8784 6.9150 6.9150 7.3783 7.3783 7.7282 7.7282 8.1375 8.1375 10.4214 10.4214 11.5699 11.5699 12.1766 12.1766 12.7672 12.7672 13.1898 13.1898 13.8717 13.8717 k = 0.1282 0.5000 0.2204 ( 5692 PWs) bands (ev): -18.2011 -18.2011 -17.7665 -17.7665 -17.7463 -17.7463 -8.0741 -8.0741 -5.3646 -5.3646 -4.9295 -4.9295 -4.5738 -4.5738 -3.7290 -3.7290 -3.6834 -3.6834 -2.8488 -2.8488 -2.6362 -2.6362 -2.4834 -2.4834 -2.1876 -2.1876 -1.8113 -1.8113 -1.5210 -1.5210 2.1268 2.1268 2.1560 2.1560 2.4325 2.4325 2.4940 2.4940 2.6559 2.6559 5.7331 5.7331 6.0128 6.0128 6.2721 6.2721 6.2936 6.2936 6.8850 6.8850 6.9389 6.9389 7.4058 7.4058 7.7712 7.7712 8.1667 8.1667 10.3856 10.3856 11.4648 11.4648 12.1411 12.1411 12.7897 12.7897 13.1552 13.1552 13.9097 13.9097 k = 0.1410 0.5000 0.2204 ( 5696 PWs) bands (ev): -18.1997 -18.1997 -17.7652 -17.7652 -17.7449 -17.7449 -8.0677 -8.0677 -5.3543 -5.3543 -4.9219 -4.9219 -4.5818 -4.5818 -3.7346 -3.7346 -3.6824 -3.6824 -2.8713 -2.8713 -2.6430 -2.6430 -2.4910 -2.4910 -2.1992 -2.1992 -1.8365 -1.8365 -1.5519 -1.5519 2.1278 2.1278 2.1578 2.1578 2.4336 2.4336 2.4950 2.4950 2.6529 2.6529 5.7483 5.7483 6.0504 6.0504 6.2957 6.2957 6.3183 6.3183 6.8914 6.8914 6.9667 6.9667 7.4351 7.4351 7.8177 7.8177 8.1982 8.1982 10.3464 10.3464 11.3570 11.3570 12.1102 12.1102 12.8134 12.8134 13.1230 13.1230 13.9317 13.9317 k = 0.1538 0.5000 0.2204 ( 5688 PWs) bands (ev): -18.1983 -18.1983 -17.7637 -17.7637 -17.7435 -17.7435 -8.0607 -8.0607 -5.3435 -5.3435 -4.9139 -4.9139 -4.5901 -4.5901 -3.7428 -3.7428 -3.6790 -3.6790 -2.8949 -2.8949 -2.6501 -2.6501 -2.4993 -2.4993 -2.2117 -2.2117 -1.8632 -1.8632 -1.5852 -1.5852 2.1288 2.1288 2.1596 2.1596 2.4346 2.4346 2.4961 2.4961 2.6497 2.6497 5.7651 5.7651 6.0903 6.0903 6.3194 6.3194 6.3448 6.3448 6.8979 6.8979 6.9980 6.9980 7.4661 7.4661 7.8672 7.8672 8.2320 8.2320 10.3043 10.3043 11.2476 11.2476 12.0844 12.0844 12.8380 12.8380 13.0929 13.0929 13.9119 13.9119 k = 0.1667 0.5000 0.2204 ( 5700 PWs) bands (ev): -18.1967 -18.1967 -17.7622 -17.7622 -17.7419 -17.7419 -8.0534 -8.0534 -5.3321 -5.3321 -4.9056 -4.9056 -4.5985 -4.5985 -3.7529 -3.7529 -3.6737 -3.6737 -2.9194 -2.9194 -2.6575 -2.6575 -2.5081 -2.5081 -2.2250 -2.2250 -1.8913 -1.8913 -1.6208 -1.6208 2.1298 2.1298 2.1614 2.1614 2.4357 2.4357 2.4973 2.4973 2.6464 2.6464 5.7833 5.7833 6.1322 6.1322 6.3428 6.3428 6.3730 6.3730 6.9046 6.9046 7.0326 7.0326 7.4984 7.4984 7.9195 7.9195 8.2677 8.2677 10.2598 10.2598 11.1376 11.1376 12.0638 12.0638 12.8630 12.8630 13.0643 13.0643 13.8820 13.8820 k = 0.1795 0.5000 0.2204 ( 5696 PWs) bands (ev): -18.1951 -18.1951 -17.7606 -17.7606 -17.7404 -17.7404 -8.0456 -8.0456 -5.3204 -5.3204 -4.8969 -4.8969 -4.6070 -4.6070 -3.7644 -3.7644 -3.6668 -3.6668 -2.9446 -2.9446 -2.6653 -2.6653 -2.5174 -2.5174 -2.2391 -2.2391 -1.9203 -1.9203 -1.6584 -1.6584 2.1309 2.1309 2.1633 2.1633 2.4368 2.4368 2.4986 2.4986 2.6431 2.6431 5.8031 5.8031 6.1758 6.1758 6.3658 6.3658 6.4028 6.4028 6.9117 6.9117 7.0701 7.0701 7.5318 7.5318 7.9742 7.9742 8.3053 8.3053 10.2132 10.2132 11.0277 11.0277 12.0483 12.0483 12.8881 12.8881 13.0370 13.0370 13.8456 13.8456 k = 0.1923 0.5000 0.2204 ( 5696 PWs) bands (ev): -18.1935 -18.1935 -17.7589 -17.7589 -17.7387 -17.7387 -8.0374 -8.0374 -5.3084 -5.3084 -4.8880 -4.8880 -4.6154 -4.6154 -3.7771 -3.7771 -3.6586 -3.6586 -2.9703 -2.9703 -2.6734 -2.6734 -2.5270 -2.5270 -2.2540 -2.2540 -1.9501 -1.9501 -1.6979 -1.6979 2.1320 2.1320 2.1652 2.1652 2.4379 2.4379 2.4999 2.4999 2.6397 2.6397 5.8243 5.8243 6.2207 6.2207 6.3881 6.3881 6.4341 6.4341 6.9192 6.9192 7.1103 7.1103 7.5659 7.5659 8.0308 8.0308 8.3445 8.3445 10.1652 10.1652 10.9186 10.9186 12.0380 12.0380 12.9126 12.9126 13.0107 13.0107 13.8040 13.8040 k = 0.2051 0.5000 0.2204 ( 5692 PWs) bands (ev): -18.1918 -18.1918 -17.7572 -17.7572 -17.7370 -17.7370 -8.0289 -8.0289 -5.2964 -5.2964 -4.8789 -4.8789 -4.6234 -4.6234 -3.7906 -3.7906 -3.6491 -3.6491 -2.9962 -2.9962 -2.6818 -2.6818 -2.5369 -2.5369 -2.2697 -2.2697 -1.9803 -1.9803 -1.7391 -1.7391 2.1332 2.1332 2.1670 2.1670 2.4389 2.4389 2.5014 2.5014 2.6364 2.6364 5.8470 5.8470 6.2667 6.2667 6.4095 6.4095 6.4666 6.4666 6.9270 6.9270 7.1529 7.1529 7.6004 7.6004 8.0891 8.0891 8.3850 8.3850 10.1163 10.1163 10.8109 10.8109 12.0326 12.0326 12.9361 12.9361 12.9855 12.9855 13.7583 13.7583 k = 0.2179 0.5000 0.2204 ( 5704 PWs) bands (ev): -18.1900 -18.1900 -17.7554 -17.7554 -17.7352 -17.7352 -8.0202 -8.0202 -5.2845 -5.2845 -4.8697 -4.8697 -4.6309 -4.6309 -3.8048 -3.8048 -3.6385 -3.6385 -3.0223 -3.0223 -2.6905 -2.6905 -2.5470 -2.5470 -2.2863 -2.2863 -2.0104 -2.0104 -1.7819 -1.7819 2.1343 2.1343 2.1688 2.1688 2.4399 2.4399 2.5028 2.5028 2.6330 2.6330 5.8711 5.8711 6.3133 6.3133 6.4299 6.4299 6.5003 6.5003 6.9350 6.9350 7.1974 7.1974 7.6349 7.6349 8.1485 8.1485 8.4268 8.4268 10.0670 10.0670 10.7051 10.7051 12.0318 12.0318 12.9561 12.9561 12.9633 12.9633 13.7098 13.7098 k = 0.2308 0.5000 0.2204 ( 5692 PWs) bands (ev): -18.1882 -18.1882 -17.7537 -17.7537 -17.7334 -17.7334 -8.0113 -8.0113 -5.2728 -5.2728 -4.8606 -4.8606 -4.6376 -4.6376 -3.8195 -3.8195 -3.6266 -3.6266 -3.0482 -3.0482 -2.6995 -2.6995 -2.5572 -2.5572 -2.3038 -2.3038 -2.0402 -2.0402 -1.8261 -1.8261 2.1354 2.1354 2.1705 2.1705 2.4410 2.4410 2.5044 2.5044 2.6297 2.6297 5.8965 5.8965 6.3602 6.3602 6.4494 6.4494 6.5350 6.5350 6.9433 6.9433 7.2433 7.2433 7.6692 7.6692 8.2087 8.2087 8.4696 8.4696 10.0179 10.0179 10.6017 10.6017 12.0355 12.0355 12.9372 12.9372 12.9791 12.9791 13.6594 13.6594 k = 0.2436 0.5000 0.2204 ( 5696 PWs) bands (ev): -18.1864 -18.1864 -17.7518 -17.7518 -17.7316 -17.7316 -8.0021 -8.0021 -5.2617 -5.2617 -4.8515 -4.8515 -4.6435 -4.6435 -3.8346 -3.8346 -3.6135 -3.6135 -3.0740 -3.0740 -2.7087 -2.7087 -2.5676 -2.5676 -2.3224 -2.3224 -2.0693 -2.0693 -1.8714 -1.8714 2.1366 2.1366 2.1722 2.1722 2.4419 2.4419 2.5060 2.5060 2.6265 2.6265 5.9232 5.9232 6.4070 6.4070 6.4677 6.4677 6.5705 6.5705 6.9518 6.9518 7.2903 7.2903 7.7028 7.7028 8.2692 8.2692 8.5132 8.5132 9.9694 9.9694 10.5012 10.5012 12.0434 12.0434 12.9149 12.9149 12.9969 12.9969 13.6081 13.6081 k = 0.2564 0.5000 0.2204 ( 5688 PWs) bands (ev): -18.1846 -18.1846 -17.7500 -17.7500 -17.7298 -17.7298 -7.9929 -7.9929 -5.2512 -5.2512 -4.8426 -4.8426 -4.6482 -4.6482 -3.8500 -3.8500 -3.5992 -3.5992 -3.0993 -3.0993 -2.7182 -2.7182 -2.5781 -2.5781 -2.3421 -2.3421 -2.0971 -2.0971 -1.9177 -1.9177 2.1377 2.1377 2.1738 2.1738 2.4428 2.4428 2.5076 2.5076 2.6233 2.6233 5.9511 5.9511 6.4534 6.4534 6.4852 6.4852 6.6066 6.6066 6.9605 6.9605 7.3377 7.3377 7.7354 7.7354 8.3295 8.3295 8.5574 8.5574 9.9220 9.9220 10.4039 10.4039 12.0552 12.0552 12.8937 12.8937 13.0122 13.0122 13.5568 13.5568 k = 0.2692 0.5000 0.2204 ( 5688 PWs) bands (ev): -18.1828 -18.1828 -17.7482 -17.7482 -17.7280 -17.7280 -7.9836 -7.9836 -5.2415 -5.2415 -4.8339 -4.8339 -4.6516 -4.6516 -3.8656 -3.8656 -3.5835 -3.5835 -3.1240 -3.1240 -2.7278 -2.7278 -2.5887 -2.5887 -2.3629 -2.3629 -2.1235 -2.1235 -1.9648 -1.9648 2.1388 2.1388 2.1753 2.1753 2.4437 2.4437 2.5093 2.5093 2.6203 2.6203 5.9800 5.9800 6.4973 6.4973 6.5033 6.5033 6.6431 6.6431 6.9692 6.9692 7.3850 7.3850 7.7667 7.7667 8.3892 8.3892 8.6020 8.6020 9.8762 9.8762 10.3102 10.3102 12.0708 12.0708 12.8737 12.8737 13.0248 13.0248 13.5059 13.5059 k = 0.2821 0.5000 0.2204 ( 5680 PWs) bands (ev): -18.1810 -18.1810 -17.7464 -17.7464 -17.7262 -17.7262 -7.9744 -7.9744 -5.2329 -5.2329 -4.8256 -4.8256 -4.6535 -4.6535 -3.8813 -3.8813 -3.5665 -3.5665 -3.1480 -3.1480 -2.7376 -2.7376 -2.5995 -2.5995 -2.3849 -2.3849 -2.1481 -2.1481 -2.0122 -2.0122 2.1399 2.1399 2.1768 2.1768 2.4445 2.4445 2.5110 2.5110 2.6174 2.6174 6.0099 6.0099 6.5162 6.5162 6.5445 6.5445 6.6798 6.6798 6.9779 6.9779 7.4317 7.4317 7.7962 7.7962 8.4478 8.4478 8.6468 8.6468 9.8324 9.8324 10.2206 10.2206 12.0898 12.0898 12.8551 12.8551 13.0346 13.0346 13.4562 13.4562 k = 0.2949 0.5000 0.2204 ( 5680 PWs) bands (ev): -18.1793 -18.1793 -17.7446 -17.7446 -17.7245 -17.7245 -7.9652 -7.9652 -5.2254 -5.2254 -4.8176 -4.8176 -4.6538 -4.6538 -3.8969 -3.8969 -3.5481 -3.5481 -3.1712 -3.1712 -2.7475 -2.7475 -2.6107 -2.6107 -2.4077 -2.4077 -2.1709 -2.1709 -2.0597 -2.0597 2.1409 2.1409 2.1781 2.1781 2.4453 2.4453 2.5126 2.5126 2.6146 2.6146 6.0406 6.0406 6.5307 6.5307 6.5878 6.5878 6.7166 6.7166 6.9867 6.9867 7.4772 7.4772 7.8238 7.8238 8.5049 8.5049 8.6915 8.6915 9.7908 9.7908 10.1354 10.1354 12.1122 12.1122 12.8379 12.8379 13.0416 13.0416 13.4080 13.4080 k = 0.3077 0.5000 0.2204 ( 5676 PWs) bands (ev): -18.1775 -18.1775 -17.7429 -17.7429 -17.7228 -17.7228 -7.9561 -7.9561 -5.2192 -5.2192 -4.8101 -4.8101 -4.6524 -4.6524 -3.9124 -3.9124 -3.5284 -3.5284 -3.1934 -3.1934 -2.7574 -2.7574 -2.6223 -2.6223 -2.4313 -2.4313 -2.1920 -2.1920 -2.1068 -2.1068 2.1419 2.1419 2.1794 2.1794 2.4460 2.4460 2.5142 2.5142 2.6120 2.6120 6.0719 6.0719 6.5442 6.5442 6.6297 6.6297 6.7530 6.7530 6.9953 6.9953 7.5211 7.5211 7.8491 7.8491 8.5600 8.5600 8.7360 8.7360 9.7518 9.7518 10.0550 10.0550 12.1377 12.1377 12.8223 12.8223 13.0460 13.0460 13.3616 13.3616 k = 0.3205 0.5000 0.2204 ( 5676 PWs) bands (ev): -18.1759 -18.1759 -17.7412 -17.7412 -17.7211 -17.7211 -7.9473 -7.9473 -5.2143 -5.2143 -4.8031 -4.8031 -4.6492 -4.6492 -3.9276 -3.9276 -3.5073 -3.5073 -3.2144 -3.2144 -2.7673 -2.7673 -2.6345 -2.6345 -2.4552 -2.4552 -2.2121 -2.2121 -2.1523 -2.1523 2.1429 2.1429 2.1806 2.1806 2.4467 2.4467 2.5158 2.5158 2.6095 2.6095 6.1037 6.1037 6.5568 6.5568 6.6697 6.6697 6.7889 6.7889 7.0038 7.0038 7.5628 7.5628 7.8718 7.8718 8.6127 8.6127 8.7801 8.7801 9.7155 9.7155 9.9796 9.9796 12.1661 12.1661 12.8084 12.8084 13.0481 13.0481 13.3174 13.3174 k = 0.3333 0.5000 0.2204 ( 5672 PWs) bands (ev): -18.1742 -18.1742 -17.7396 -17.7396 -17.7195 -17.7195 -7.9386 -7.9386 -5.2106 -5.2106 -4.7967 -4.7967 -4.6444 -4.6444 -3.9425 -3.9425 -3.4849 -3.4849 -3.2342 -3.2342 -2.7773 -2.7773 -2.6474 -2.6474 -2.4793 -2.4793 -2.2338 -2.2338 -2.1933 -2.1933 2.1438 2.1438 2.1817 2.1817 2.4473 2.4473 2.5173 2.5173 2.6072 2.6072 6.1357 6.1357 6.5684 6.5684 6.7079 6.7079 6.8240 6.8240 7.0120 7.0120 7.6020 7.6020 7.8919 7.8919 8.6627 8.6627 8.8234 8.8234 9.6822 9.6822 9.9096 9.9096 12.1974 12.1974 12.7963 12.7963 13.0481 13.0481 13.2755 13.2755 k = 0.3462 0.5000 0.2204 ( 5668 PWs) bands (ev): -18.1727 -18.1727 -17.7381 -17.7381 -17.7179 -17.7179 -7.9304 -7.9304 -5.2082 -5.2082 -4.7909 -4.7909 -4.6380 -4.6380 -3.9569 -3.9569 -3.4613 -3.4613 -3.2526 -3.2526 -2.7871 -2.7871 -2.6610 -2.6610 -2.5033 -2.5033 -2.2637 -2.2637 -2.2231 -2.2231 2.1447 2.1447 2.1827 2.1827 2.4479 2.4479 2.5188 2.5188 2.6050 2.6050 6.1676 6.1676 6.5792 6.5792 6.7439 6.7439 6.8578 6.8578 7.0200 7.0200 7.6381 7.6381 7.9091 7.9091 8.7097 8.7097 8.8656 8.8656 9.6519 9.6519 9.8452 9.8452 12.2315 12.2315 12.7859 12.7859 13.0465 13.0465 13.2363 13.2363 k = 0.3590 0.5000 0.2204 ( 5652 PWs) bands (ev): -18.1712 -18.1712 -17.7366 -17.7366 -17.7165 -17.7165 -7.9225 -7.9225 -5.2068 -5.2068 -4.7857 -4.7857 -4.6302 -4.6302 -3.9708 -3.9708 -3.4368 -3.4368 -3.2692 -3.2692 -2.7970 -2.7970 -2.6754 -2.6754 -2.5273 -2.5273 -2.3013 -2.3013 -2.2412 -2.2412 2.1456 2.1456 2.1836 2.1836 2.4484 2.4484 2.5202 2.5202 2.6031 2.6031 6.1992 6.1992 6.5892 6.5892 6.7777 6.7777 6.8900 6.8900 7.0277 7.0277 7.6709 7.6709 7.9236 7.9236 8.7533 8.7533 8.9064 8.9064 9.6247 9.6247 9.7867 9.7867 12.2681 12.2681 12.7774 12.7774 13.0434 13.0434 13.1999 13.1999 k = 0.3718 0.5000 0.2204 ( 5652 PWs) bands (ev): -18.1699 -18.1699 -17.7352 -17.7352 -17.7151 -17.7151 -7.9150 -7.9150 -5.2064 -5.2064 -4.7812 -4.7812 -4.6213 -4.6213 -3.9840 -3.9840 -3.4118 -3.4118 -3.2836 -3.2836 -2.8067 -2.8067 -2.6901 -2.6901 -2.5517 -2.5517 -2.3396 -2.3396 -2.2542 -2.2542 2.1463 2.1463 2.1844 2.1844 2.4489 2.4489 2.5215 2.5215 2.6013 2.6013 6.2302 6.2302 6.5983 6.5983 6.8093 6.8093 6.9202 6.9202 7.0352 7.0352 7.7001 7.7001 7.9355 7.9355 8.7936 8.7936 8.9454 8.9454 9.6005 9.6005 9.7341 9.7341 12.3072 12.3072 12.7707 12.7707 13.0394 13.0394 13.1663 13.1663 k = 0.3846 0.5000 0.2204 ( 5648 PWs) bands (ev): -18.1686 -18.1686 -17.7340 -17.7340 -17.7138 -17.7138 -7.9081 -7.9081 -5.2068 -5.2068 -4.7772 -4.7772 -4.6117 -4.6117 -3.9965 -3.9965 -3.3877 -3.3877 -3.2947 -3.2947 -2.8164 -2.8164 -2.7051 -2.7051 -2.5770 -2.5770 -2.3752 -2.3752 -2.2647 -2.2647 2.1470 2.1470 2.1851 2.1851 2.4493 2.4493 2.5227 2.5227 2.5997 2.5997 6.2601 6.2601 6.6065 6.6065 6.8384 6.8384 6.9480 6.9480 7.0424 7.0424 7.7253 7.7253 7.9449 7.9449 8.8302 8.8302 8.9821 8.9821 9.5791 9.5791 9.6877 9.6877 12.3487 12.3487 12.7656 12.7656 13.0347 13.0347 13.1357 13.1357 k = 0.3974 0.5000 0.2204 ( 5648 PWs) bands (ev): -18.1675 -18.1675 -17.7328 -17.7328 -17.7127 -17.7127 -7.9017 -7.9017 -5.2078 -5.2078 -4.7738 -4.7738 -4.6016 -4.6016 -4.0080 -4.0080 -3.3676 -3.3676 -3.2994 -3.2994 -2.8260 -2.8260 -2.7197 -2.7197 -2.6040 -2.6040 -2.4064 -2.4064 -2.2734 -2.2734 2.1476 2.1476 2.1857 2.1857 2.4496 2.4496 2.5238 2.5238 2.5982 2.5982 6.2887 6.2887 6.6139 6.6139 6.8650 6.8650 6.9729 6.9729 7.0495 7.0495 7.7466 7.7466 7.9524 7.9524 8.8632 8.8632 9.0162 9.0162 9.5605 9.5605 9.6473 9.6473 12.3924 12.3924 12.7621 12.7621 13.0297 13.0297 13.1082 13.1082 k = 0.4103 0.5000 0.2204 ( 5636 PWs) bands (ev): -18.1664 -18.1664 -17.7318 -17.7318 -17.7117 -17.7117 -7.8960 -7.8960 -5.2091 -5.2091 -4.7709 -4.7709 -4.5915 -4.5915 -4.0186 -4.0186 -3.3575 -3.3575 -3.2919 -3.2919 -2.8353 -2.8353 -2.7337 -2.7337 -2.6328 -2.6328 -2.4324 -2.4324 -2.2807 -2.2807 2.1482 2.1482 2.1863 2.1863 2.4500 2.4500 2.5248 2.5248 2.5969 2.5969 6.3154 6.3154 6.6205 6.6205 6.8890 6.8890 6.9943 6.9943 7.0569 7.0569 7.7637 7.7637 7.9583 7.9583 8.8926 8.8926 9.0472 9.0472 9.5442 9.5442 9.6131 9.6131 12.4384 12.4384 12.7600 12.7600 13.0246 13.0246 13.0839 13.0839 k = 0.4231 0.5000 0.2204 ( 5628 PWs) bands (ev): -18.1655 -18.1655 -17.7308 -17.7308 -17.7107 -17.7107 -7.8909 -7.8909 -5.2107 -5.2107 -4.7685 -4.7685 -4.5818 -4.5818 -4.0281 -4.0281 -3.3579 -3.3579 -3.2723 -3.2723 -2.8442 -2.8442 -2.7470 -2.7470 -2.6629 -2.6629 -2.4532 -2.4532 -2.2868 -2.2868 2.1487 2.1487 2.1868 2.1868 2.4503 2.4503 2.5256 2.5256 2.5958 2.5958 6.3398 6.3398 6.6261 6.6261 6.9104 6.9104 7.0116 7.0116 7.0648 7.0648 7.7770 7.7770 7.9629 7.9629 8.9181 8.9181 9.0749 9.0749 9.5298 9.5298 9.5851 9.5851 12.4863 12.4863 12.7591 12.7591 13.0198 13.0198 13.0627 13.0627 k = 0.4359 0.5000 0.2204 ( 5632 PWs) bands (ev): -18.1647 -18.1647 -17.7301 -17.7301 -17.7100 -17.7100 -7.8865 -7.8865 -5.2124 -5.2124 -4.7666 -4.7666 -4.5727 -4.5727 -4.0364 -4.0364 -3.3624 -3.3624 -3.2473 -3.2473 -2.8522 -2.8522 -2.7600 -2.7600 -2.6927 -2.6927 -2.4690 -2.4690 -2.2918 -2.2918 2.1491 2.1491 2.1872 2.1872 2.4505 2.4505 2.5263 2.5263 2.5949 2.5949 6.3615 6.3615 6.6310 6.6310 6.9289 6.9289 7.0244 7.0244 7.0734 7.0734 7.7867 7.7867 7.9667 7.9667 8.9399 8.9399 9.0988 9.0988 9.5169 9.5169 9.5633 9.5633 12.5361 12.5361 12.7590 12.7590 13.0153 13.0153 13.0448 13.0448 k = 0.4487 0.5000 0.2204 ( 5628 PWs) bands (ev): -18.1641 -18.1641 -17.7294 -17.7294 -17.7093 -17.7093 -7.8828 -7.8828 -5.2139 -5.2139 -4.7651 -4.7651 -4.5648 -4.5648 -4.0434 -4.0434 -3.3677 -3.3677 -3.2215 -3.2215 -2.8589 -2.8589 -2.7738 -2.7738 -2.7193 -2.7193 -2.4808 -2.4808 -2.2958 -2.2958 2.1495 2.1495 2.1876 2.1876 2.4507 2.4507 2.5269 2.5269 2.5942 2.5942 6.3800 6.3800 6.6349 6.6349 6.9445 6.9445 7.0330 7.0330 7.0823 7.0823 7.7932 7.7932 7.9699 7.9699 8.9577 8.9577 9.1187 9.1187 9.5055 9.5055 9.5472 9.5472 12.5874 12.5874 12.7595 12.7595 13.0113 13.0113 13.0299 13.0299 k = 0.4615 0.5000 0.2204 ( 5628 PWs) bands (ev): -18.1636 -18.1636 -17.7289 -17.7289 -17.7088 -17.7088 -7.8800 -7.8800 -5.2152 -5.2152 -4.7639 -4.7639 -4.5582 -4.5582 -4.0490 -4.0490 -3.3722 -3.3722 -3.1973 -3.1973 -2.8638 -2.8638 -2.7904 -2.7904 -2.7393 -2.7393 -2.4893 -2.4893 -2.2988 -2.2988 2.1497 2.1497 2.1878 2.1878 2.4508 2.4508 2.5274 2.5274 2.5936 2.5936 6.3949 6.3949 6.6380 6.6380 6.9571 6.9571 7.0384 7.0384 7.0904 7.0904 7.7974 7.7974 7.9724 7.9724 8.9717 8.9717 9.1344 9.1344 9.4957 9.4957 9.5361 9.5361 12.6396 12.6396 12.7603 12.7603 13.0074 13.0074 13.0172 13.0172 k = 0.4744 0.5000 0.2204 ( 5632 PWs) bands (ev): -18.1632 -18.1632 -17.7285 -17.7285 -17.7084 -17.7084 -7.8779 -7.8779 -5.2162 -5.2162 -4.7631 -4.7631 -4.5533 -4.5533 -4.0531 -4.0531 -3.3757 -3.3757 -3.1772 -3.1772 -2.8663 -2.8663 -2.8087 -2.8087 -2.7513 -2.7513 -2.4949 -2.4949 -2.3010 -2.3010 2.1499 2.1499 2.1880 2.1880 2.4509 2.4509 2.5277 2.5277 2.5932 2.5932 6.4058 6.4058 6.6402 6.6402 6.9662 6.9662 7.0415 7.0415 7.0968 7.0968 7.7998 7.7998 7.9743 7.9743 8.9817 8.9817 9.1457 9.1457 9.4881 9.4881 9.5291 9.5291 12.6914 12.6914 12.7612 12.7612 12.9677 12.9677 13.0064 13.0064 k = 0.4872 0.5000 0.2204 ( 5640 PWs) bands (ev): -18.1630 -18.1630 -17.7283 -17.7283 -17.7082 -17.7082 -7.8766 -7.8766 -5.2169 -5.2169 -4.7626 -4.7626 -4.5503 -4.5503 -4.0555 -4.0555 -3.3779 -3.3779 -3.1636 -3.1636 -2.8664 -2.8664 -2.8239 -2.8239 -2.7573 -2.7573 -2.4981 -2.4981 -2.3023 -2.3023 2.1500 2.1500 2.1881 2.1881 2.4510 2.4510 2.5279 2.5279 2.5929 2.5929 6.4125 6.4125 6.6416 6.6416 6.9719 6.9719 7.0431 7.0431 7.1009 7.1009 7.8009 7.8009 7.9754 7.9754 8.9877 8.9877 9.1526 9.1526 9.4834 9.4834 9.5252 9.5252 12.7376 12.7376 12.7623 12.7623 12.9168 12.9168 13.0046 13.0046 k = 0.5000 0.5000 0.2204 ( 5648 PWs) bands (ev): -18.1629 -18.1629 -17.7282 -17.7282 -17.7081 -17.7081 -7.8762 -7.8762 -5.2171 -5.2171 -4.7625 -4.7625 -4.5492 -4.5492 -4.0564 -4.0564 -3.3786 -3.3786 -3.1587 -3.1587 -2.8658 -2.8658 -2.8302 -2.8302 -2.7591 -2.7591 -2.4992 -2.4992 -2.3027 -2.3027 2.1500 2.1500 2.1881 2.1881 2.4510 2.4510 2.5280 2.5280 2.5928 2.5928 6.4147 6.4147 6.6420 6.6420 6.9738 6.9738 7.0435 7.0435 7.1023 7.1023 7.8013 7.8013 7.9758 7.9758 8.9897 8.9897 9.1549 9.1549 9.4818 9.4818 9.5239 9.5239 12.7573 12.7573 12.7662 12.7662 12.8918 12.8918 13.0039 13.0039 k = 0.5000 0.5000 0.2204 ( 5648 PWs) bands (ev): -18.1629 -18.1629 -17.7282 -17.7282 -17.7081 -17.7081 -7.8762 -7.8762 -5.2171 -5.2171 -4.7625 -4.7625 -4.5492 -4.5492 -4.0564 -4.0564 -3.3786 -3.3786 -3.1587 -3.1587 -2.8658 -2.8658 -2.8302 -2.8302 -2.7591 -2.7591 -2.4992 -2.4992 -2.3027 -2.3027 2.1500 2.1500 2.1881 2.1881 2.4510 2.4510 2.5280 2.5280 2.5928 2.5928 6.4147 6.4147 6.6420 6.6420 6.9738 6.9738 7.0435 7.0435 7.1023 7.1023 7.8013 7.8013 7.9758 7.9758 8.9897 8.9897 9.1549 9.1549 9.4818 9.4818 9.5239 9.5239 12.7573 12.7573 12.7662 12.7662 12.8918 12.8918 13.0039 13.0039 k = 0.4909 0.4909 0.2204 ( 5642 PWs) bands (ev): -18.1630 -18.1630 -17.7283 -17.7283 -17.7082 -17.7082 -7.8766 -7.8766 -5.2169 -5.2169 -4.7626 -4.7626 -4.5503 -4.5503 -4.0555 -4.0555 -3.3779 -3.3779 -3.1636 -3.1636 -2.8664 -2.8664 -2.8239 -2.8239 -2.7573 -2.7573 -2.4981 -2.4981 -2.3023 -2.3023 2.1500 2.1500 2.1881 2.1881 2.4510 2.4510 2.5279 2.5279 2.5929 2.5929 6.4125 6.4125 6.6416 6.6416 6.9719 6.9719 7.0431 7.0431 7.1009 7.1009 7.8009 7.8009 7.9754 7.9754 8.9877 8.9877 9.1526 9.1526 9.4834 9.4834 9.5252 9.5252 12.7368 12.7368 12.7631 12.7631 12.9167 12.9167 13.0045 13.0045 k = 0.4818 0.4818 0.2204 ( 5636 PWs) bands (ev): -18.1632 -18.1632 -17.7285 -17.7285 -17.7084 -17.7084 -7.8779 -7.8779 -5.2162 -5.2162 -4.7631 -4.7631 -4.5533 -4.5533 -4.0531 -4.0531 -3.3757 -3.3757 -3.1772 -3.1772 -2.8664 -2.8664 -2.8091 -2.8091 -2.7508 -2.7508 -2.4949 -2.4949 -2.3010 -2.3010 2.1499 2.1499 2.1880 2.1880 2.4509 2.4509 2.5277 2.5277 2.5932 2.5932 6.4057 6.4057 6.6403 6.6403 6.9659 6.9659 7.0417 7.0417 7.0969 7.0969 7.7998 7.7998 7.9742 7.9742 8.9814 8.9814 9.1460 9.1460 9.4882 9.4882 9.5291 9.5291 12.6889 12.6889 12.7645 12.7645 12.9668 12.9668 13.0056 13.0056 k = 0.4727 0.4727 0.2204 ( 5636 PWs) bands (ev): -18.1636 -18.1636 -17.7289 -17.7289 -17.7088 -17.7088 -7.8799 -7.8799 -5.2152 -5.2152 -4.7639 -4.7639 -4.5581 -4.5581 -4.0491 -4.0491 -3.3722 -3.3722 -3.1972 -3.1972 -2.8640 -2.8640 -2.7925 -2.7925 -2.7369 -2.7369 -2.4893 -2.4893 -2.2988 -2.2988 2.1497 2.1497 2.1878 2.1878 2.4508 2.4508 2.5274 2.5274 2.5936 2.5936 6.3945 6.3945 6.6383 6.6383 6.9555 6.9555 7.0395 7.0395 7.0908 7.0908 7.7977 7.7977 7.9720 7.9720 8.9703 8.9703 9.1359 9.1359 9.4959 9.4959 9.5363 9.5363 12.6351 12.6351 12.7676 12.7676 13.0060 13.0060 13.0172 13.0172 k = 0.4636 0.4636 0.2204 ( 5632 PWs) bands (ev): -18.1641 -18.1641 -17.7294 -17.7294 -17.7093 -17.7093 -7.8828 -7.8828 -5.2139 -5.2139 -4.7649 -4.7649 -4.5645 -4.5645 -4.0438 -4.0438 -3.3675 -3.3675 -3.2211 -3.2211 -2.8597 -2.8597 -2.7791 -2.7791 -2.7138 -2.7138 -2.4810 -2.4810 -2.2956 -2.2956 2.1495 2.1495 2.1875 2.1875 2.4507 2.4507 2.5270 2.5270 2.5941 2.5941 6.3791 6.3791 6.6356 6.6356 6.9402 6.9402 7.0366 7.0366 7.0834 7.0834 7.7943 7.7943 7.9687 7.9687 8.9535 8.9535 9.1234 9.1234 9.5059 9.5059 9.5479 9.5479 12.5807 12.5807 12.7719 12.7719 13.0084 13.0084 13.0325 13.0325 k = 0.4545 0.4545 0.2204 ( 5636 PWs) bands (ev): -18.1648 -18.1648 -17.7301 -17.7301 -17.7100 -17.7100 -7.8863 -7.8863 -5.2123 -5.2123 -4.7663 -4.7663 -4.5720 -4.5720 -4.0374 -4.0374 -3.3620 -3.3620 -3.2466 -3.2466 -2.8540 -2.8540 -2.7682 -2.7682 -2.6838 -2.6838 -2.4694 -2.4694 -2.2914 -2.2914 2.1491 2.1491 2.1872 2.1872 2.4505 2.4505 2.5264 2.5264 2.5949 2.5949 6.3598 6.3598 6.6326 6.6326 6.9195 6.9195 7.0332 7.0332 7.0753 7.0753 7.7889 7.7889 7.9645 7.9645 8.9303 8.9303 9.1099 9.1099 9.5174 9.5174 9.5652 9.5652 12.5272 12.5272 12.7774 12.7774 13.0107 13.0107 13.0488 13.0488 k = 0.4455 0.4455 0.2204 ( 5636 PWs) bands (ev): -18.1656 -18.1656 -17.7309 -17.7309 -17.7108 -17.7108 -7.8906 -7.8906 -5.2106 -5.2106 -4.7679 -4.7679 -4.5803 -4.5803 -4.0300 -4.0300 -3.3565 -3.3565 -3.2715 -3.2715 -2.8479 -2.8479 -2.7577 -2.7577 -2.6512 -2.6512 -2.4538 -2.4538 -2.2860 -2.2860 2.1487 2.1487 2.1868 2.1868 2.4503 2.4503 2.5256 2.5256 2.5958 2.5958 6.3367 6.3367 6.6293 6.6293 6.8934 6.8934 7.0292 7.0292 7.0670 7.0670 7.7808 7.7808 7.9594 7.9594 8.9001 8.9001 9.0966 9.0966 9.5297 9.5297 9.5896 9.5896 12.4754 12.4754 12.7840 12.7840 13.0132 13.0132 13.0681 13.0681 k = 0.4364 0.4364 0.2204 ( 5640 PWs) bands (ev): -18.1666 -18.1666 -17.7318 -17.7318 -17.7117 -17.7117 -7.8954 -7.8954 -5.2089 -5.2089 -4.7697 -4.7697 -4.5889 -4.5889 -4.0219 -4.0219 -3.3537 -3.3537 -3.2925 -3.2925 -2.8419 -2.8419 -2.7460 -2.7460 -2.6189 -2.6189 -2.4334 -2.4334 -2.2793 -2.2793 2.1482 2.1482 2.1863 2.1863 2.4500 2.4500 2.5248 2.5248 2.5968 2.5968 6.3104 6.3104 6.6259 6.6259 6.8621 6.8621 7.0249 7.0249 7.0588 7.0588 7.7692 7.7692 7.9538 7.9538 8.8629 8.8629 9.0840 9.0840 9.5429 9.5429 9.6215 9.6215 12.4256 12.4256 12.7917 12.7917 13.0158 13.0158 13.0905 13.0905 k = 0.4273 0.4273 0.2204 ( 5640 PWs) bands (ev): -18.1677 -18.1677 -17.7329 -17.7329 -17.7127 -17.7127 -7.9007 -7.9007 -5.2074 -5.2074 -4.7718 -4.7718 -4.5975 -4.5975 -4.0132 -4.0132 -3.3594 -3.3594 -3.3032 -3.3032 -2.8364 -2.8364 -2.7329 -2.7329 -2.5890 -2.5890 -2.4073 -2.4073 -2.2710 -2.2710 2.1476 2.1476 2.1858 2.1858 2.4498 2.4498 2.5238 2.5238 2.5980 2.5980 6.2812 6.2812 6.6224 6.6224 6.8261 6.8261 7.0203 7.0203 7.0508 7.0508 7.7533 7.7533 7.9483 7.9483 8.8193 8.8193 9.0723 9.0723 9.5573 9.5573 9.6612 9.6612 12.3781 12.3781 12.8003 12.8003 13.0181 13.0181 13.1157 13.1157 k = 0.4182 0.4182 0.2204 ( 5640 PWs) bands (ev): -18.1689 -18.1689 -17.7342 -17.7342 -17.7139 -17.7139 -7.9065 -7.9065 -5.2061 -5.2061 -4.7740 -4.7740 -4.6056 -4.6056 -4.0042 -4.0042 -3.3756 -3.3756 -3.3011 -3.3011 -2.8315 -2.8315 -2.7183 -2.7183 -2.5623 -2.5623 -2.3757 -2.3757 -2.2611 -2.2611 2.1470 2.1470 2.1852 2.1852 2.4495 2.4495 2.5227 2.5227 2.5993 2.5993 6.2495 6.2495 6.6189 6.6189 6.7861 6.7861 7.0155 7.0155 7.0429 7.0429 7.7324 7.7324 7.9435 7.9435 8.7702 8.7702 9.0614 9.0614 9.5732 9.5732 9.7084 9.7084 12.3332 12.3332 12.8097 12.8097 13.0199 13.0199 13.1432 13.1432 k = 0.4091 0.4091 0.2204 ( 5640 PWs) bands (ev): -18.1704 -18.1704 -17.7355 -17.7355 -17.7152 -17.7152 -7.9126 -7.9126 -5.2051 -5.2051 -4.7765 -4.7765 -4.6129 -4.6129 -3.9949 -3.9949 -3.3965 -3.3965 -3.2922 -3.2922 -2.8271 -2.8271 -2.7027 -2.7027 -2.5391 -2.5391 -2.3391 -2.3391 -2.2492 -2.2492 2.1463 2.1463 2.1845 2.1845 2.4492 2.4492 2.5215 2.5215 2.6007 2.6007 6.2158 6.2158 6.6155 6.6155 6.7430 6.7430 7.0104 7.0104 7.0351 7.0351 7.7062 7.7062 7.9398 7.9398 8.7167 8.7167 9.0511 9.0511 9.5909 9.5909 9.7630 9.7630 12.2911 12.2911 12.8198 12.8198 13.0208 13.0208 13.1728 13.1728 k = 0.4000 0.4000 0.2204 ( 5636 PWs) bands (ev): -18.1719 -18.1719 -17.7370 -17.7370 -17.7166 -17.7166 -7.9189 -7.9189 -5.2045 -5.2045 -4.7790 -4.7790 -4.6191 -4.6191 -3.9855 -3.9855 -3.4181 -3.4181 -3.2803 -3.2803 -2.8230 -2.8230 -2.6864 -2.6864 -2.5188 -2.5188 -2.2990 -2.2990 -2.2349 -2.2349 2.1455 2.1455 2.1837 2.1837 2.4489 2.4489 2.5203 2.5203 2.6023 2.6023 6.1806 6.1806 6.6121 6.6121 6.6976 6.6976 7.0051 7.0051 7.0273 7.0273 7.6749 7.6749 7.9374 7.9374 8.6597 8.6597 9.0412 9.0412 9.6105 9.6105 9.8248 9.8248 12.2518 12.2518 12.8304 12.8304 13.0204 13.0204 13.2037 13.2037 k = 0.3909 0.3909 0.2204 ( 5644 PWs) bands (ev): -18.1737 -18.1737 -17.7386 -17.7386 -17.7180 -17.7180 -7.9254 -7.9254 -5.2045 -5.2045 -4.7817 -4.7817 -4.6239 -4.6239 -3.9760 -3.9760 -3.4389 -3.4389 -3.2670 -3.2670 -2.8190 -2.8190 -2.6698 -2.6698 -2.5007 -2.5007 -2.2573 -2.2573 -2.2174 -2.2174 2.1447 2.1447 2.1829 2.1829 2.4486 2.4486 2.5189 2.5189 2.6039 2.6039 6.1441 6.1441 6.6078 6.6078 6.6515 6.6515 6.9997 6.9997 7.0197 7.0197 7.6390 7.6390 7.9363 7.9363 8.6004 8.6004 9.0316 9.0316 9.6322 9.6322 9.8932 9.8932 12.2157 12.2157 12.8414 12.8414 13.0181 13.0181 13.2353 13.2353 k = 0.3818 0.3818 0.2204 ( 5648 PWs) bands (ev): -18.1755 -18.1755 -17.7404 -17.7404 -17.7196 -17.7196 -7.9319 -7.9319 -5.2049 -5.2049 -4.7845 -4.7845 -4.6272 -4.6272 -3.9666 -3.9666 -3.4586 -3.4586 -3.2528 -3.2528 -2.8149 -2.8149 -2.6532 -2.6532 -2.4845 -2.4845 -2.2184 -2.2184 -2.1934 -2.1934 2.1438 2.1438 2.1819 2.1819 2.4482 2.4482 2.5174 2.5174 2.6055 2.6055 6.1067 6.1067 6.5915 6.5915 6.6167 6.6167 6.9941 6.9941 7.0122 7.0122 7.5994 7.5994 7.9363 7.9363 8.5395 8.5395 9.0222 9.0222 9.6560 9.6560 9.9678 9.9678 12.1828 12.1828 12.8524 12.8524 13.0131 13.0131 13.2666 13.2666 k = 0.3727 0.3727 0.2204 ( 5652 PWs) bands (ev): -18.1776 -18.1776 -17.7422 -17.7422 -17.7212 -17.7212 -7.9384 -7.9384 -5.2058 -5.2058 -4.7874 -4.7874 -4.6289 -4.6289 -3.9571 -3.9571 -3.4769 -3.4769 -3.2381 -3.2381 -2.8104 -2.8104 -2.6368 -2.6368 -2.4697 -2.4697 -2.1894 -2.1894 -2.1568 -2.1568 2.1428 2.1428 2.1809 2.1809 2.4479 2.4479 2.5159 2.5159 2.6072 2.6072 6.0689 6.0689 6.5476 6.5476 6.6094 6.6094 6.9885 6.9885 7.0047 7.0047 7.5569 7.5569 7.9373 7.9373 8.4781 8.4781 9.0128 9.0128 9.6821 9.6821 10.0479 10.0479 12.1535 12.1535 12.8631 12.8631 13.0045 13.0045 13.2967 13.2967 k = 0.3636 0.3636 0.2204 ( 5648 PWs) bands (ev): -18.1797 -18.1797 -17.7442 -17.7442 -17.7230 -17.7230 -7.9447 -7.9447 -5.2071 -5.2071 -4.7902 -4.7902 -4.6289 -4.6289 -3.9478 -3.9478 -3.4936 -3.4936 -3.2233 -3.2233 -2.8054 -2.8054 -2.6207 -2.6207 -2.4563 -2.4563 -2.1649 -2.1649 -2.1138 -2.1138 2.1418 2.1418 2.1799 2.1799 2.4476 2.4476 2.5143 2.5143 2.6089 2.6089 6.0308 6.0308 6.4994 6.4994 6.6071 6.6071 6.9829 6.9829 6.9975 6.9975 7.5126 7.5126 7.9391 7.9391 8.4168 8.4168 9.0036 9.0036 9.7106 9.7106 10.1327 10.1327 12.1281 12.1281 12.8733 12.8733 12.9913 12.9913 13.3243 13.3243 k = 0.3545 0.3545 0.2204 ( 5648 PWs) bands (ev): -18.1821 -18.1821 -17.7463 -17.7463 -17.7247 -17.7247 -7.9508 -7.9508 -5.2087 -5.2087 -4.7930 -4.7930 -4.6272 -4.6272 -3.9386 -3.9386 -3.5088 -3.5088 -3.2087 -3.2087 -2.7999 -2.7999 -2.6049 -2.6049 -2.4441 -2.4441 -2.1403 -2.1403 -2.0698 -2.0698 2.1408 2.1408 2.1788 2.1788 2.4473 2.4473 2.5127 2.5127 2.6105 2.6105 5.9927 5.9927 6.4513 6.4513 6.6059 6.6059 6.9774 6.9774 6.9905 6.9905 7.4673 7.4673 7.9416 7.9416 8.3565 8.3565 8.9945 8.9945 9.7413 9.7413 10.2213 10.2213 12.1068 12.1068 12.8825 12.8825 12.9722 12.9722 13.3479 13.3479 k = 0.3455 0.3455 0.2204 ( 5656 PWs) bands (ev): -18.1845 -18.1845 -17.7484 -17.7484 -17.7266 -17.7266 -7.9565 -7.9565 -5.2106 -5.2106 -4.7956 -4.7956 -4.6239 -4.6239 -3.9295 -3.9295 -3.5225 -3.5225 -3.1943 -3.1943 -2.7936 -2.7936 -2.5894 -2.5894 -2.4329 -2.4329 -2.1149 -2.1149 -2.0265 -2.0265 2.1397 2.1397 2.1777 2.1777 2.4471 2.4471 2.5110 2.5110 2.6121 2.6121 5.9549 5.9549 6.4044 6.4044 6.6055 6.6055 6.9719 6.9719 6.9837 6.9837 7.4220 7.4220 7.9447 7.9447 8.2978 8.2978 8.9855 8.9855 9.7745 9.7745 10.3129 10.3129 12.0903 12.0903 12.8901 12.8901 12.9459 12.9459 13.3661 13.3661 k = 0.3364 0.3364 0.2204 ( 5662 PWs) bands (ev): -18.1871 -18.1871 -17.7507 -17.7507 -17.7284 -17.7284 -7.9619 -7.9619 -5.2125 -5.2125 -4.7979 -4.7979 -4.6191 -4.6191 -3.9206 -3.9206 -3.5347 -3.5347 -3.1805 -3.1805 -2.7865 -2.7865 -2.5742 -2.5742 -2.4227 -2.4227 -2.0889 -2.0889 -1.9844 -1.9844 2.1386 2.1386 2.1765 2.1765 2.4468 2.4468 2.5093 2.5093 2.6135 2.6135 5.9177 5.9177 6.3593 6.3593 6.6057 6.6057 6.9667 6.9667 6.9772 6.9772 7.3775 7.3775 7.9484 7.9484 8.2415 8.2415 8.9768 8.9768 9.8101 9.8101 10.4064 10.4064 12.0791 12.0791 12.8953 12.8953 12.9113 12.9113 13.3775 13.3775 k = 0.3273 0.3273 0.2204 ( 5670 PWs) bands (ev): -18.1899 -18.1899 -17.7530 -17.7530 -17.7303 -17.7303 -7.9668 -7.9668 -5.2144 -5.2144 -4.8000 -4.8000 -4.6130 -4.6130 -3.9119 -3.9119 -3.5454 -3.5454 -3.1673 -3.1673 -2.7788 -2.7788 -2.5592 -2.5592 -2.4133 -2.4133 -2.0627 -2.0627 -1.9441 -1.9441 2.1374 2.1374 2.1753 2.1753 2.4466 2.4466 2.5076 2.5076 2.6148 2.6148 5.8811 5.8811 6.3165 6.3165 6.6066 6.6066 6.9617 6.9617 6.9710 6.9710 7.3347 7.3347 7.9524 7.9524 8.1881 8.1881 8.9683 8.9683 9.8481 9.8481 10.5004 10.5004 12.0741 12.0741 12.8656 12.8656 12.8988 12.8988 13.3812 13.3812 k = 0.3182 0.3182 0.2204 ( 5690 PWs) bands (ev): -18.1928 -18.1928 -17.7555 -17.7555 -17.7323 -17.7323 -7.9712 -7.9712 -5.2161 -5.2161 -4.8016 -4.8016 -4.6057 -4.6057 -3.9035 -3.9035 -3.5547 -3.5547 -3.1548 -3.1548 -2.7703 -2.7703 -2.5443 -2.5443 -2.4046 -2.4046 -2.0368 -2.0368 -1.9059 -1.9059 2.1362 2.1362 2.1741 2.1741 2.4464 2.4464 2.5058 2.5058 2.6158 2.6158 5.8455 5.8455 6.2765 6.2765 6.6083 6.6083 6.9571 6.9571 6.9652 6.9652 7.2943 7.2943 7.9570 7.9570 8.1383 8.1383 8.9600 8.9600 9.8886 9.8886 10.5936 10.5936 12.0762 12.0762 12.8100 12.8100 12.8979 12.8979 13.3767 13.3767 k = 0.3091 0.3091 0.2204 ( 5686 PWs) bands (ev): -18.1957 -18.1957 -17.7580 -17.7580 -17.7342 -17.7342 -7.9750 -7.9750 -5.2175 -5.2175 -4.8028 -4.8028 -4.5973 -4.5973 -3.8952 -3.8952 -3.5627 -3.5627 -3.1431 -3.1431 -2.7612 -2.7612 -2.5296 -2.5296 -2.3965 -2.3965 -2.0115 -2.0115 -1.8700 -1.8700 2.1350 2.1350 2.1730 2.1730 2.4464 2.4464 2.5041 2.5041 2.6166 2.6166 5.8109 5.8109 6.2398 6.2398 6.6106 6.6106 6.9527 6.9527 6.9598 6.9598 7.2569 7.2569 7.9619 7.9619 8.0926 8.0926 8.9521 8.9521 9.9316 9.9316 10.6844 10.6844 12.0866 12.0866 12.7431 12.7431 12.8925 12.8925 13.3641 13.3641 k = 0.3000 0.3000 0.2204 ( 5690 PWs) bands (ev): -18.1989 -18.1989 -17.7605 -17.7605 -17.7362 -17.7362 -7.9781 -7.9781 -5.2184 -5.2184 -4.8034 -4.8034 -4.5879 -4.5879 -3.8872 -3.8872 -3.5693 -3.5693 -3.1321 -3.1321 -2.7516 -2.7516 -2.5150 -2.5150 -2.3888 -2.3888 -1.9874 -1.9874 -1.8368 -1.8368 2.1339 2.1339 2.1718 2.1718 2.4463 2.4463 2.5024 2.5024 2.6171 2.6171 5.7775 5.7775 6.2067 6.2067 6.6137 6.6137 6.9486 6.9486 6.9549 6.9549 7.2233 7.2233 7.9674 7.9674 8.0515 8.0515 8.9447 8.9447 9.9770 9.9770 10.7710 10.7710 12.1067 12.1067 12.6654 12.6654 12.8818 12.8818 13.3441 13.3441 k = 0.2909 0.2909 0.2204 ( 5684 PWs) bands (ev): -18.2021 -18.2021 -17.7632 -17.7632 -17.7381 -17.7381 -7.9805 -7.9805 -5.2187 -5.2187 -4.8035 -4.8035 -4.5777 -4.5777 -3.8795 -3.8795 -3.5748 -3.5748 -3.1220 -3.1220 -2.7418 -2.7418 -2.5005 -2.5005 -2.3815 -2.3815 -1.9649 -1.9649 -1.8066 -1.8066 2.1328 2.1328 2.1707 2.1707 2.4464 2.4464 2.5007 2.5007 2.6172 2.6172 5.7454 5.7454 6.1775 6.1775 6.6177 6.6177 6.9449 6.9449 6.9505 6.9505 7.1938 7.1938 7.9732 7.9732 8.0155 8.0155 8.9377 8.9377 10.0248 10.0248 10.8516 10.8516 12.1377 12.1377 12.5777 12.5777 12.8645 12.8645 13.3173 13.3173 k = 0.2818 0.2818 0.2204 ( 5680 PWs) bands (ev): -18.2054 -18.2054 -17.7659 -17.7659 -17.7400 -17.7400 -7.9823 -7.9823 -5.2184 -5.2184 -4.8029 -4.8029 -4.5668 -4.5668 -3.8721 -3.8721 -3.5791 -3.5791 -3.1124 -3.1124 -2.7318 -2.7318 -2.4861 -2.4861 -2.3745 -2.3745 -1.9442 -1.9442 -1.7794 -1.7794 2.1317 2.1317 2.1697 2.1697 2.4464 2.4464 2.4991 2.4991 2.6170 2.6170 5.7148 5.7148 6.1526 6.1526 6.6224 6.6224 6.9413 6.9413 6.9468 6.9468 7.1690 7.1690 7.9795 7.9795 7.9851 7.9851 8.9313 8.9313 10.0749 10.0749 10.9247 10.9247 12.1811 12.1811 12.4815 12.4815 12.8397 12.8397 13.2846 13.2846 k = 0.2727 0.2727 0.2204 ( 5680 PWs) bands (ev): -18.2088 -18.2088 -17.7686 -17.7686 -17.7420 -17.7420 -7.9833 -7.9833 -5.2174 -5.2174 -4.8017 -4.8017 -4.5553 -4.5553 -3.8650 -3.8650 -3.5822 -3.5822 -3.1035 -3.1035 -2.7221 -2.7221 -2.4718 -2.4718 -2.3677 -2.3677 -1.9257 -1.9257 -1.7554 -1.7554 2.1306 2.1306 2.1687 2.1687 2.4466 2.4466 2.4975 2.4975 2.6162 2.6162 5.6855 5.6855 6.1322 6.1322 6.6280 6.6280 6.9379 6.9379 6.9439 6.9439 7.1493 7.1493 7.9601 7.9601 7.9866 7.9866 8.9254 8.9254 10.1274 10.1274 10.9888 10.9888 12.2376 12.2376 12.3782 12.3782 12.8067 12.8067 13.2468 13.2468 k = 0.2636 0.2636 0.2204 ( 5680 PWs) bands (ev): -18.2123 -18.2123 -17.7713 -17.7713 -17.7439 -17.7439 -7.9835 -7.9835 -5.2156 -5.2156 -4.7997 -4.7997 -4.5433 -4.5433 -3.8582 -3.8582 -3.5843 -3.5843 -3.0950 -3.0950 -2.7127 -2.7127 -2.4576 -2.4576 -2.3611 -2.3611 -1.9097 -1.9097 -1.7349 -1.7349 2.1296 2.1296 2.1677 2.1677 2.4468 2.4468 2.4959 2.4959 2.6150 2.6150 5.6578 5.6578 6.1166 6.1166 6.6346 6.6346 6.9349 6.9349 6.9415 6.9415 7.1350 7.1350 7.9415 7.9415 7.9940 7.9940 8.9203 8.9203 10.1821 10.1821 11.0434 11.0434 12.2694 12.2694 12.3076 12.3076 12.7647 12.7647 13.2048 13.2048 k = 0.2545 0.2545 0.2204 ( 5684 PWs) bands (ev): -18.2159 -18.2159 -17.7741 -17.7741 -17.7457 -17.7457 -7.9830 -7.9830 -5.2130 -5.2130 -4.7971 -4.7971 -4.5308 -4.5308 -3.8518 -3.8518 -3.5853 -3.5853 -3.0870 -3.0870 -2.7039 -2.7039 -2.4436 -2.4436 -2.3546 -2.3546 -1.8964 -1.8964 -1.7179 -1.7179 2.1287 2.1287 2.1669 2.1669 2.4471 2.4471 2.4944 2.4944 2.6133 2.6133 5.6315 5.6315 6.1058 6.1058 6.6422 6.6422 6.9322 6.9322 6.9398 6.9398 7.1264 7.1264 7.9293 7.9293 8.0021 8.0021 8.9159 8.9159 10.2391 10.2391 11.0885 11.0885 12.1568 12.1568 12.3905 12.3905 12.7136 12.7136 13.1590 13.1590 k = 0.2455 0.2455 0.2204 ( 5692 PWs) bands (ev): -18.2195 -18.2195 -17.7769 -17.7769 -17.7476 -17.7476 -7.9817 -7.9817 -5.2097 -5.2097 -4.7937 -4.7937 -4.5179 -4.5179 -3.8458 -3.8458 -3.5853 -3.5853 -3.0792 -3.0792 -2.6958 -2.6958 -2.4298 -2.4298 -2.3483 -2.3483 -1.8859 -1.8859 -1.7045 -1.7045 2.1278 2.1278 2.1661 2.1661 2.4474 2.4474 2.4930 2.4930 2.6111 2.6111 5.6068 5.6068 6.1001 6.1001 6.6507 6.6507 6.9299 6.9299 6.9386 6.9386 7.1237 7.1237 7.9236 7.9236 8.0108 8.0108 8.9123 8.9123 10.2981 10.2981 11.1246 11.1246 12.0414 12.0414 12.4853 12.4853 12.6535 12.6535 13.1102 13.1102 k = 0.2364 0.2364 0.2204 ( 5698 PWs) bands (ev): -18.2232 -18.2232 -17.7797 -17.7797 -17.7493 -17.7493 -7.9796 -7.9796 -5.2055 -5.2055 -4.7895 -4.7895 -4.5047 -4.5047 -3.8401 -3.8401 -3.5842 -3.5842 -3.0717 -3.0717 -2.6887 -2.6887 -2.4162 -2.4162 -2.3420 -2.3420 -1.8783 -1.8783 -1.6947 -1.6947 2.1270 2.1270 2.1654 2.1654 2.4478 2.4478 2.4917 2.4917 2.6084 2.6084 5.5836 5.5836 6.0994 6.0994 6.6603 6.6603 6.9281 6.9281 6.9379 6.9379 7.1270 7.1270 7.9246 7.9246 8.0201 8.0201 8.9095 8.9095 10.3591 10.3591 11.1529 11.1529 11.9244 11.9244 12.5849 12.5849 12.5905 12.5905 13.0586 13.0586 k = 0.2273 0.2273 0.2204 ( 5702 PWs) bands (ev): -18.2269 -18.2269 -17.7825 -17.7825 -17.7511 -17.7511 -7.9768 -7.9768 -5.2006 -5.2006 -4.7846 -4.7846 -4.4912 -4.4912 -3.8348 -3.8348 -3.5822 -3.5822 -3.0643 -3.0643 -2.6827 -2.6827 -2.4028 -2.4028 -2.3358 -2.3358 -1.8737 -1.8737 -1.6885 -1.6885 2.1263 2.1263 2.1648 2.1648 2.4483 2.4483 2.4904 2.4904 2.6053 2.6053 5.5618 5.5618 6.1039 6.1039 6.6710 6.6710 6.9269 6.9269 6.9377 6.9377 7.1365 7.1365 7.9323 7.9323 8.0302 8.0302 8.9076 8.9076 10.4221 10.4221 11.1746 11.1746 11.8067 11.8067 12.5090 12.5090 12.7041 12.7041 13.0047 13.0047 k = 0.2182 0.2182 0.2204 ( 5692 PWs) bands (ev): -18.2307 -18.2307 -17.7852 -17.7852 -17.7528 -17.7528 -7.9733 -7.9733 -5.1951 -5.1951 -4.7788 -4.7788 -4.4774 -4.4774 -3.8300 -3.8300 -3.5792 -3.5792 -3.0571 -3.0571 -2.6780 -2.6780 -2.3898 -2.3898 -2.3296 -2.3296 -1.8721 -1.8721 -1.6860 -1.6860 2.1257 2.1257 2.1644 2.1644 2.4488 2.4488 2.4893 2.4893 2.6018 2.6018 5.5413 5.5413 6.1135 6.1135 6.6825 6.6825 6.9263 6.9263 6.9379 6.9379 7.1523 7.1523 7.9466 7.9466 8.0411 8.0411 8.9066 8.9066 10.4867 10.4867 11.1909 11.1909 11.6892 11.6892 12.4265 12.4265 12.8242 12.8242 12.9489 12.9489 k = 0.2091 0.2091 0.2204 ( 5708 PWs) bands (ev): -18.2344 -18.2344 -17.7880 -17.7880 -17.7544 -17.7544 -7.9691 -7.9691 -5.1890 -5.1890 -4.7723 -4.7723 -4.4635 -4.4635 -3.8256 -3.8256 -3.5751 -3.5751 -3.0499 -3.0499 -2.6746 -2.6746 -2.3770 -2.3770 -2.3234 -2.3234 -1.8736 -1.8736 -1.6869 -1.6869 2.1251 2.1251 2.1640 2.1640 2.4493 2.4493 2.4881 2.4881 2.5978 2.5978 5.5223 5.5223 6.1282 6.1282 6.6949 6.6949 6.9262 6.9262 6.9386 6.9386 7.1743 7.1743 7.9674 7.9674 8.0527 8.0527 8.9066 8.9066 10.5531 10.5531 11.2030 11.2030 11.5723 11.5723 12.3389 12.3389 12.8904 12.8904 12.9489 12.9489 k = 0.2000 0.2000 0.2204 ( 5694 PWs) bands (ev): -18.2381 -18.2381 -17.7907 -17.7907 -17.7560 -17.7560 -7.9642 -7.9642 -5.1823 -5.1823 -4.7650 -4.7650 -4.4495 -4.4495 -3.8216 -3.8216 -3.5700 -3.5700 -3.0428 -3.0428 -2.6725 -2.6725 -2.3647 -2.3647 -2.3173 -2.3173 -1.8779 -1.8779 -1.6914 -1.6914 2.1247 2.1247 2.1637 2.1637 2.4500 2.4500 2.4872 2.4872 2.5935 2.5935 5.5044 5.5044 6.1478 6.1478 6.7079 6.7079 6.9267 6.9267 6.9398 6.9398 7.2026 7.2026 7.9946 7.9946 8.0651 8.0651 8.9077 8.9077 10.6208 10.6208 11.2117 11.2117 11.4568 11.4568 12.2474 12.2474 12.8313 12.8313 13.0322 13.0322 k = 0.1909 0.1909 0.2204 ( 5694 PWs) bands (ev): -18.2418 -18.2418 -17.7934 -17.7934 -17.7576 -17.7576 -7.9588 -7.9588 -5.1753 -5.1753 -4.7568 -4.7568 -4.4354 -4.4354 -3.8181 -3.8181 -3.5638 -3.5638 -3.0357 -3.0357 -2.6719 -2.6719 -2.3527 -2.3527 -2.3112 -2.3112 -1.8849 -1.8849 -1.6991 -1.6991 2.1242 2.1242 2.1636 2.1636 2.4507 2.4507 2.4863 2.4863 2.5889 2.5889 5.4878 5.4878 6.1721 6.1721 6.7214 6.7214 6.9278 6.9278 6.9414 6.9414 7.2370 7.2370 8.0279 8.0279 8.0783 8.0783 8.9098 8.9098 10.6899 10.6899 11.2179 11.2179 11.3432 11.3432 12.1530 12.1530 12.7704 12.7704 12.9579 12.9579 k = 0.1818 0.1818 0.2204 ( 5702 PWs) bands (ev): -18.2455 -18.2455 -17.7960 -17.7960 -17.7590 -17.7590 -7.9528 -7.9528 -5.1680 -5.1680 -4.7478 -4.7478 -4.4212 -4.4212 -3.8151 -3.8151 -3.5564 -3.5564 -3.0287 -3.0287 -2.6728 -2.6728 -2.3413 -2.3413 -2.3051 -2.3051 -1.8946 -1.8946 -1.7099 -1.7099 2.1238 2.1238 2.1635 2.1635 2.4513 2.4513 2.4855 2.4855 2.5840 2.5840 5.4723 5.4723 6.2011 6.2011 6.7353 6.7353 6.9295 6.9295 6.9435 6.9435 7.2775 7.2775 8.0669 8.0669 8.0923 8.0923 8.9129 8.9129 10.7600 10.7600 11.2210 11.2210 11.2327 11.2327 12.0568 12.0568 12.7080 12.7080 12.8731 12.8731 k = 0.1727 0.1727 0.2204 ( 5706 PWs) bands (ev): -18.2491 -18.2491 -17.7986 -17.7986 -17.7604 -17.7604 -7.9464 -7.9464 -5.1606 -5.1606 -4.7379 -4.7379 -4.4071 -4.4071 -3.8126 -3.8126 -3.5478 -3.5478 -3.0218 -3.0218 -2.6751 -2.6751 -2.3304 -2.3304 -2.2989 -2.2989 -1.9066 -1.9066 -1.7237 -1.7237 2.1234 2.1234 2.1634 2.1634 2.4520 2.4520 2.4849 2.4849 2.5790 2.5790 5.4579 5.4579 6.2343 6.2343 6.7492 6.7492 6.9318 6.9318 6.9460 6.9460 7.3239 7.3239 8.1064 8.1064 8.1121 8.1121 8.9171 8.9171 10.8310 10.8310 11.1224 11.1224 11.2251 11.2251 11.9599 11.9599 12.6443 12.6443 12.7871 12.7871 k = 0.1636 0.1636 0.2204 ( 5712 PWs) bands (ev): -18.2526 -18.2526 -17.8011 -17.8011 -17.7618 -17.7618 -7.9395 -7.9395 -5.1532 -5.1532 -4.7272 -4.7272 -4.3932 -4.3932 -3.8107 -3.8107 -3.5379 -3.5379 -3.0151 -3.0151 -2.6789 -2.6789 -2.3200 -2.3200 -2.2928 -2.2928 -1.9207 -1.9207 -1.7401 -1.7401 2.1230 2.1230 2.1635 2.1635 2.4527 2.4527 2.4843 2.4843 2.5739 2.5739 5.4445 5.4445 6.2714 6.2714 6.7633 6.7633 6.9346 6.9346 6.9489 6.9489 7.3756 7.3756 8.1225 8.1225 8.1612 8.1612 8.9224 8.9224 10.9025 10.9025 11.0163 11.0163 11.2267 11.2267 11.8631 11.8631 12.5793 12.5793 12.7012 12.7012 k = 0.1545 0.1545 0.2204 ( 5704 PWs) bands (ev): -18.2560 -18.2560 -17.8035 -17.8035 -17.7631 -17.7631 -7.9323 -7.9323 -5.1460 -5.1460 -4.7156 -4.7156 -4.3795 -4.3795 -3.8094 -3.8094 -3.5266 -3.5266 -3.0086 -3.0086 -2.6841 -2.6841 -2.3103 -2.3103 -2.2867 -2.2867 -1.9366 -1.9366 -1.7590 -1.7590 2.1227 2.1227 2.1636 2.1636 2.4535 2.4535 2.4839 2.4839 2.5689 2.5689 5.4321 5.4321 6.3121 6.3121 6.7771 6.7771 6.9379 6.9379 6.9523 6.9523 7.4324 7.4324 8.1388 8.1388 8.2151 8.2151 8.9287 8.9287 10.9133 10.9133 10.9744 10.9744 11.2274 11.2274 11.7672 11.7672 12.5133 12.5133 12.6163 12.6163 k = 0.1455 0.1455 0.2204 ( 5708 PWs) bands (ev): -18.2594 -18.2594 -17.8059 -17.8059 -17.7643 -17.7643 -7.9249 -7.9249 -5.1390 -5.1390 -4.7032 -4.7032 -4.3660 -4.3660 -3.8088 -3.8088 -3.5137 -3.5137 -3.0023 -3.0023 -2.6906 -2.6906 -2.3013 -2.3013 -2.2806 -2.2806 -1.9539 -1.9539 -1.7800 -1.7800 2.1223 2.1223 2.1638 2.1638 2.4542 2.4542 2.4835 2.4835 2.5638 2.5638 5.4207 5.4207 6.3560 6.3560 6.7908 6.7908 6.9417 6.9417 6.9560 6.9560 7.4937 7.4937 8.1557 8.1557 8.2731 8.2731 8.9362 8.9362 10.8137 10.8137 11.0461 11.0461 11.2274 11.2274 11.6729 11.6729 12.4462 12.4462 12.5332 12.5332 k = 0.1364 0.1364 0.2204 ( 5690 PWs) bands (ev): -18.2626 -18.2626 -17.8081 -17.8081 -17.7654 -17.7654 -7.9172 -7.9172 -5.1323 -5.1323 -4.6899 -4.6899 -4.3530 -4.3530 -3.8088 -3.8088 -3.4993 -3.4993 -2.9964 -2.9964 -2.6985 -2.6985 -2.2930 -2.2930 -2.2745 -2.2745 -1.9722 -1.9722 -1.8028 -1.8028 2.1220 2.1220 2.1640 2.1640 2.4549 2.4549 2.4833 2.4833 2.5589 2.5589 5.4101 5.4101 6.4025 6.4025 6.8042 6.8042 6.9458 6.9458 6.9601 6.9601 7.5587 7.5587 8.1732 8.1732 8.3344 8.3344 8.9446 8.9446 10.7178 10.7178 11.1173 11.1173 11.2270 11.2270 11.5808 11.5808 12.3783 12.3783 12.4524 12.4524 k = 0.1273 0.1273 0.2204 ( 5690 PWs) bands (ev): -18.2657 -18.2657 -17.8102 -17.8102 -17.7665 -17.7665 -7.9095 -7.9095 -5.1261 -5.1261 -4.6760 -4.6760 -4.3404 -4.3404 -3.8095 -3.8095 -3.4833 -3.4833 -2.9909 -2.9909 -2.7076 -2.7076 -2.2855 -2.2855 -2.2686 -2.2686 -1.9912 -1.9912 -1.8272 -1.8272 2.1217 2.1217 2.1642 2.1642 2.4555 2.4555 2.4832 2.4832 2.5542 2.5542 5.4004 5.4004 6.4510 6.4510 6.8171 6.8171 6.9502 6.9502 6.9644 6.9644 7.6269 7.6269 8.1913 8.1913 8.3984 8.3984 8.9541 8.9541 10.6258 10.6258 11.1866 11.1866 11.2269 11.2269 11.4916 11.4916 12.3098 12.3098 12.3747 12.3747 k = 0.1182 0.1182 0.2204 ( 5682 PWs) bands (ev): -18.2686 -18.2686 -17.8123 -17.8123 -17.7674 -17.7674 -7.9018 -7.9018 -5.1204 -5.1204 -4.6614 -4.6614 -4.3283 -4.3283 -3.8109 -3.8109 -3.4655 -3.4655 -2.9860 -2.9860 -2.7180 -2.7180 -2.2786 -2.2786 -2.2631 -2.2631 -2.0104 -2.0104 -1.8527 -1.8527 2.1214 2.1214 2.1645 2.1645 2.4561 2.4561 2.4832 2.4832 2.5496 2.5496 5.3916 5.3916 6.5009 6.5009 6.8297 6.8297 6.9548 6.9548 6.9690 6.9690 7.6974 7.6974 8.2097 8.2097 8.4643 8.4643 8.9646 8.9646 10.5380 10.5380 11.2207 11.2207 11.2595 11.2595 11.4066 11.4066 12.2410 12.2410 12.3005 12.3005 k = 0.1091 0.1091 0.2204 ( 5684 PWs) bands (ev): -18.2714 -18.2714 -17.8142 -17.8142 -17.7684 -17.7684 -7.8942 -7.8942 -5.1153 -5.1153 -4.6463 -4.6463 -4.3169 -4.3169 -3.8130 -3.8130 -3.4459 -3.4459 -2.9819 -2.9819 -2.7295 -2.7295 -2.2724 -2.2724 -2.2579 -2.2579 -2.0292 -2.0292 -1.8790 -1.8790 2.1211 2.1211 2.1646 2.1646 2.4567 2.4567 2.4833 2.4833 2.5452 2.5452 5.3835 5.3835 6.5515 6.5515 6.8419 6.8419 6.9595 6.9595 6.9738 6.9738 7.7693 7.7693 8.2284 8.2284 8.5314 8.5314 8.9759 8.9759 10.4546 10.4546 11.2194 11.2194 11.3064 11.3064 11.3441 11.3441 12.1723 12.1723 12.2303 12.2303 k = 0.1000 0.1000 0.2204 ( 5692 PWs) bands (ev): -18.2740 -18.2740 -17.8160 -17.8160 -17.7692 -17.7692 -7.8867 -7.8867 -5.1108 -5.1108 -4.6310 -4.6310 -4.3062 -4.3062 -3.8157 -3.8157 -3.4246 -3.4246 -2.9786 -2.9786 -2.7420 -2.7420 -2.2666 -2.2666 -2.2534 -2.2534 -2.0473 -2.0473 -1.9057 -1.9057 2.1208 2.1208 2.1648 2.1648 2.4571 2.4571 2.4834 2.4834 2.5412 2.5412 5.3763 5.3763 6.6020 6.6020 6.8536 6.8536 6.9642 6.9642 6.9788 6.9788 7.8415 7.8415 8.2473 8.2473 8.5987 8.5987 8.9882 8.9882 10.3758 10.3758 11.2162 11.2162 11.2413 11.2413 11.3969 11.3969 12.1042 12.1042 12.1646 12.1646 k = 0.0909 0.0909 0.2204 ( 5682 PWs) bands (ev): -18.2764 -18.2764 -17.8176 -17.8176 -17.7700 -17.7700 -7.8796 -7.8796 -5.1068 -5.1068 -4.6155 -4.6155 -4.2963 -4.2963 -3.8191 -3.8191 -3.4016 -3.4016 -2.9766 -2.9766 -2.7554 -2.7554 -2.2614 -2.2614 -2.2496 -2.2496 -2.0641 -2.0641 -1.9324 -1.9324 2.1205 2.1205 2.1650 2.1650 2.4576 2.4576 2.4836 2.4836 2.5375 2.5375 5.3697 5.3697 6.6515 6.6515 6.8651 6.8651 6.9688 6.9688 6.9839 6.9839 7.9129 7.9129 8.2662 8.2662 8.6654 8.6654 9.0012 9.0012 10.3020 10.3020 11.1689 11.1689 11.2121 11.2121 11.4591 11.4591 12.0373 12.0373 12.1039 12.1039 k = 0.0818 0.0818 0.2204 ( 5694 PWs) bands (ev): -18.2787 -18.2787 -17.8191 -17.8191 -17.7707 -17.7707 -7.8728 -7.8728 -5.1034 -5.1034 -4.6003 -4.6003 -4.2871 -4.2871 -3.8230 -3.8230 -3.3769 -3.3769 -2.9761 -2.9761 -2.7694 -2.7694 -2.2568 -2.2568 -2.2465 -2.2465 -2.0794 -2.0794 -1.9587 -1.9587 2.1201 2.1201 2.1651 2.1651 2.4579 2.4579 2.4838 2.4838 2.5340 2.5340 5.3639 5.3639 6.6989 6.6989 6.8763 6.8763 6.9731 6.9731 6.9891 6.9891 7.9823 7.9823 8.2851 8.2851 8.7301 8.7301 9.0149 9.0149 10.2333 10.2333 11.1010 11.1010 11.2070 11.2070 11.5189 11.5189 11.9723 11.9723 12.0486 12.0486 k = 0.0727 0.0727 0.2204 ( 5690 PWs) bands (ev): -18.2807 -18.2807 -17.8205 -17.8205 -17.7713 -17.7713 -7.8665 -7.8665 -5.1006 -5.1006 -4.5854 -4.5854 -4.2787 -4.2787 -3.8272 -3.8272 -3.3507 -3.3507 -2.9775 -2.9775 -2.7836 -2.7836 -2.2527 -2.2527 -2.2440 -2.2440 -2.0927 -2.0927 -1.9842 -1.9842 2.1199 2.1199 2.1653 2.1653 2.4582 2.4582 2.4841 2.4841 2.5310 2.5310 5.3588 5.3588 6.7430 6.7430 6.8876 6.8876 6.9771 6.9771 6.9945 6.9945 8.0485 8.0485 8.3039 8.3039 8.7920 8.7920 9.0293 9.0293 10.1702 10.1702 11.0386 11.0386 11.2010 11.2010 11.5748 11.5748 11.9101 11.9101 11.9991 11.9991 k = 0.0636 0.0636 0.2204 ( 5690 PWs) bands (ev): -18.2825 -18.2825 -17.8217 -17.8217 -17.7719 -17.7719 -7.8606 -7.8606 -5.0982 -5.0982 -4.5713 -4.5713 -4.2712 -4.2712 -3.8317 -3.8317 -3.3232 -3.3232 -2.9813 -2.9813 -2.7976 -2.7976 -2.2494 -2.2494 -2.2417 -2.2417 -2.1041 -2.1041 -2.0085 -2.0085 2.1196 2.1196 2.1654 2.1654 2.4585 2.4585 2.4843 2.4843 2.5283 2.5283 5.3544 5.3544 6.7825 6.7825 6.8995 6.8995 6.9806 6.9806 7.0000 7.0000 8.1097 8.1097 8.3225 8.3225 8.8494 8.8494 9.0444 9.0444 10.1129 10.1129 10.9821 10.9821 11.1943 11.1943 11.6261 11.6261 11.8516 11.8516 11.9559 11.9559 k = 0.0545 0.0545 0.2204 ( 5696 PWs) bands (ev): -18.2841 -18.2841 -17.8228 -17.8228 -17.7724 -17.7724 -7.8554 -7.8554 -5.0963 -5.0963 -4.5583 -4.5583 -4.2645 -4.2645 -3.8363 -3.8363 -3.2946 -3.2946 -2.9882 -2.9882 -2.8106 -2.8106 -2.2474 -2.2474 -2.2390 -2.2390 -2.1137 -2.1137 -2.0309 -2.0309 2.1194 2.1194 2.1655 2.1655 2.4587 2.4587 2.4846 2.4846 2.5259 2.5259 5.3506 5.3506 6.8158 6.8158 6.9126 6.9126 6.9836 6.9836 7.0057 7.0057 8.1645 8.1645 8.3411 8.3411 8.9011 8.9011 9.0601 9.0601 10.0619 10.0619 10.9322 10.9322 11.1869 11.1869 11.6717 11.6717 11.7980 11.7980 11.9192 11.9192 k = 0.0455 0.0455 0.2204 ( 5692 PWs) bands (ev): -18.2854 -18.2854 -17.8237 -17.8237 -17.7728 -17.7728 -7.8509 -7.8509 -5.0949 -5.0949 -4.5466 -4.5466 -4.2588 -4.2588 -3.8407 -3.8407 -3.2651 -3.2651 -2.9986 -2.9986 -2.8221 -2.8221 -2.2466 -2.2466 -2.2357 -2.2357 -2.1219 -2.1219 -2.0509 -2.0509 2.1192 2.1192 2.1655 2.1655 2.4588 2.4588 2.4849 2.4849 2.5239 2.5239 5.3474 5.3474 6.8415 6.8415 6.9271 6.9271 6.9859 6.9859 7.0115 7.0115 8.2113 8.2113 8.3599 8.3599 8.9454 8.9454 9.0765 9.0765 10.0175 10.0175 10.8891 10.8891 11.1794 11.1794 11.7097 11.7097 11.7513 11.7513 11.8893 11.8893 k = 0.0364 0.0364 0.2204 ( 5690 PWs) bands (ev): -18.2866 -18.2866 -17.8244 -17.8244 -17.7731 -17.7731 -7.8471 -7.8471 -5.0937 -5.0937 -4.5365 -4.5365 -4.2540 -4.2540 -3.8447 -3.8447 -3.2352 -3.2352 -3.0127 -3.0127 -2.8315 -2.8315 -2.2463 -2.2463 -2.2321 -2.2321 -2.1290 -2.1290 -2.0679 -2.0679 2.1190 2.1190 2.1656 2.1656 2.4589 2.4589 2.4852 2.4852 2.5223 2.5223 5.3448 5.3448 6.8596 6.8596 6.9425 6.9425 6.9875 6.9875 7.0176 7.0176 8.2486 8.2486 8.3786 8.3786 8.9809 8.9809 9.0934 9.0934 9.9803 9.9803 10.8533 10.8533 11.1721 11.1721 11.7054 11.7054 11.7462 11.7462 11.8665 11.8665 k = 0.0273 0.0273 0.2204 ( 5694 PWs) bands (ev): -18.2874 -18.2874 -17.8250 -17.8250 -17.7734 -17.7734 -7.8441 -7.8441 -5.0929 -5.0929 -4.5284 -4.5284 -4.2502 -4.2502 -3.8481 -3.8481 -3.2054 -3.2054 -3.0303 -3.0303 -2.8387 -2.8387 -2.2463 -2.2463 -2.2285 -2.2285 -2.1354 -2.1354 -2.0811 -2.0811 2.1189 2.1189 2.1656 2.1656 2.4590 2.4590 2.4853 2.4853 2.5210 2.5210 5.3429 5.3429 6.8714 6.8714 6.9568 6.9568 6.9882 6.9882 7.0237 7.0237 8.2760 8.2760 8.3963 8.3963 9.0073 9.0073 9.1098 9.1098 9.9506 9.9506 10.8251 10.8251 11.1656 11.1656 11.6732 11.6732 11.7679 11.7679 11.8518 11.8518 k = 0.0182 0.0182 0.2204 ( 5692 PWs) bands (ev): -18.2881 -18.2881 -17.8254 -17.8254 -17.7736 -17.7736 -7.8419 -7.8419 -5.0923 -5.0923 -4.5224 -4.5224 -4.2475 -4.2475 -3.8507 -3.8507 -3.1767 -3.1767 -3.0505 -3.0505 -2.8436 -2.8436 -2.2463 -2.2463 -2.2253 -2.2253 -2.1411 -2.1411 -2.0903 -2.0903 2.1188 2.1188 2.1656 2.1656 2.4591 2.4591 2.4855 2.4855 2.5201 2.5201 5.3414 5.3414 6.8787 6.8787 6.9684 6.9684 6.9878 6.9878 7.0292 7.0292 8.2942 8.2942 8.4112 8.4112 9.0248 9.0248 9.1240 9.1240 9.9291 9.9291 10.8047 10.8047 11.1604 11.1604 11.6488 11.6488 11.7806 11.7806 11.8453 11.8453 k = 0.0091 0.0091 0.2204 ( 5698 PWs) bands (ev): -18.2884 -18.2884 -17.8257 -17.8257 -17.7737 -17.7737 -7.8406 -7.8406 -5.0920 -5.0920 -4.5187 -4.5187 -4.2458 -4.2458 -3.8524 -3.8524 -3.1515 -3.1515 -3.0707 -3.0707 -2.8464 -2.8464 -2.2463 -2.2463 -2.2229 -2.2229 -2.1454 -2.1454 -2.0955 -2.0955 2.1187 2.1187 2.1657 2.1657 2.4591 2.4591 2.4856 2.4856 2.5195 2.5195 5.3406 5.3406 6.8827 6.8827 6.9769 6.9769 6.9860 6.9860 7.0331 7.0331 8.3045 8.3045 8.4212 8.4212 9.0347 9.0347 9.1335 9.1335 9.9159 9.9159 10.7924 10.7924 11.1571 11.1571 11.6338 11.6338 11.7852 11.7852 11.8448 11.8448 k = 0.0000 0.0000 0.2204 ( 5702 PWs) bands (ev): -18.2886 -18.2886 -17.8258 -17.8258 -17.7737 -17.7737 -7.8402 -7.8402 -5.0919 -5.0919 -4.5175 -4.5175 -4.2452 -4.2452 -3.8529 -3.8529 -3.1391 -3.1391 -3.0815 -3.0815 -2.8473 -2.8473 -2.2463 -2.2463 -2.2220 -2.2220 -2.1469 -2.1469 -2.0972 -2.0972 2.1187 2.1187 2.1656 2.1656 2.4591 2.4591 2.4856 2.4856 2.5193 2.5193 5.3403 5.3403 6.8839 6.8839 6.9822 6.9822 6.9829 6.9829 7.0345 7.0345 8.3078 8.3078 8.4248 8.4248 9.0379 9.0379 9.1369 9.1369 9.9115 9.9115 10.7883 10.7883 11.1560 11.1560 11.6287 11.6287 11.7860 11.7860 11.8453 11.8453 k = 0.0000 0.5000-0.0000 ( 5712 PWs) bands (ev): -18.2079 -18.2079 -17.7803 -17.7803 -17.7461 -17.7461 -8.1144 -8.1144 -5.2929 -5.2929 -5.1096 -5.1096 -4.4960 -4.4960 -3.7814 -3.7814 -3.6354 -3.6354 -2.7219 -2.7219 -2.5405 -2.5405 -2.3672 -2.3672 -2.2651 -2.2651 -1.7212 -1.7212 -1.2812 -1.2812 2.1205 2.1205 2.1340 2.1340 2.4246 2.4246 2.4881 2.4881 2.5829 2.5829 5.1461 5.1461 5.9204 5.9204 6.1668 6.1668 6.5839 6.5839 6.6533 6.6533 7.3488 7.3488 7.3627 7.3627 7.6550 7.6550 7.8734 7.8734 10.3844 10.3844 11.8910 11.8910 12.5696 12.5696 12.6390 12.6390 13.1406 13.1406 13.8074 13.8074 k = 0.0000 0.5000 0.0130 ( 5692 PWs) bands (ev): -18.2079 -18.2079 -17.7802 -17.7802 -17.7462 -17.7462 -8.1143 -8.1143 -5.2948 -5.2948 -5.1076 -5.1076 -4.4964 -4.4964 -3.7811 -3.7811 -3.6355 -3.6355 -2.7219 -2.7219 -2.5413 -2.5413 -2.3680 -2.3680 -2.2635 -2.2635 -1.7210 -1.7210 -1.2819 -1.2819 2.1206 2.1206 2.1342 2.1342 2.4247 2.4247 2.4882 2.4882 2.5837 2.5837 5.1488 5.1488 5.9202 5.9202 6.1668 6.1668 6.5681 6.5681 6.6666 6.6666 7.3477 7.3477 7.3640 7.3640 7.6488 7.6488 7.8748 7.8748 10.3863 10.3863 11.8944 11.8944 12.5682 12.5682 12.6397 12.6397 13.1425 13.1425 13.8038 13.8038 k = 0.0000 0.5000 0.0259 ( 5708 PWs) bands (ev): -18.2079 -18.2079 -17.7801 -17.7801 -17.7463 -17.7463 -8.1141 -8.1141 -5.3001 -5.3001 -5.1017 -5.1017 -4.4973 -4.4973 -3.7802 -3.7802 -3.6357 -3.6357 -2.7221 -2.7221 -2.5435 -2.5435 -2.3704 -2.3704 -2.2586 -2.2586 -1.7201 -1.7201 -1.2840 -1.2840 2.1206 2.1206 2.1345 2.1345 2.4247 2.4247 2.4882 2.4882 2.5859 2.5859 5.1570 5.1570 5.9196 5.9196 6.1669 6.1669 6.5362 6.5362 6.6912 6.6912 7.3446 7.3446 7.3678 7.3678 7.6305 7.6305 7.8787 7.8787 10.3922 10.3922 11.9043 11.9043 12.5643 12.5643 12.6414 12.6414 13.1484 13.1484 13.7935 13.7935 k = 0.0000 0.5000 0.0389 ( 5710 PWs) bands (ev): -18.2079 -18.2079 -17.7799 -17.7799 -17.7465 -17.7465 -8.1138 -8.1138 -5.3083 -5.3083 -5.0928 -5.0928 -4.4989 -4.4989 -3.7786 -3.7786 -3.6361 -3.6361 -2.7223 -2.7223 -2.5471 -2.5471 -2.3742 -2.3742 -2.2511 -2.2511 -1.7188 -1.7188 -1.2875 -1.2875 2.1206 2.1206 2.1351 2.1351 2.4248 2.4248 2.4883 2.4883 2.5896 2.5896 5.1706 5.1706 5.9185 5.9185 6.1671 6.1671 6.4993 6.4993 6.7160 6.7160 7.3396 7.3396 7.3741 7.3741 7.6006 7.6006 7.8850 7.8850 10.4016 10.4016 11.9199 11.9199 12.5581 12.5581 12.6442 12.6442 13.1589 13.1589 13.7774 13.7774 k = 0.0000 0.5000 0.0519 ( 5690 PWs) bands (ev): -18.2079 -18.2079 -17.7795 -17.7795 -17.7469 -17.7469 -8.1134 -8.1134 -5.3182 -5.3182 -5.0818 -5.0818 -4.5010 -4.5010 -3.7764 -3.7764 -3.6366 -3.6366 -2.7227 -2.7227 -2.5516 -2.5516 -2.3790 -2.3790 -2.2415 -2.2415 -1.7169 -1.7169 -1.2921 -1.2921 2.1208 2.1208 2.1359 2.1359 2.4250 2.4250 2.4884 2.4884 2.5947 2.5947 5.1895 5.1895 5.9170 5.9170 6.1672 6.1672 6.4606 6.4606 6.7382 6.7382 7.3331 7.3331 7.3827 7.3827 7.5602 7.5602 7.8933 7.8933 10.4141 10.4141 11.9400 11.9400 12.5502 12.5502 12.6478 12.6478 13.1746 13.1746 13.7568 13.7568 k = 0.0000 0.5000 0.0648 ( 5690 PWs) bands (ev): -18.2079 -18.2079 -17.7792 -17.7792 -17.7473 -17.7473 -8.1128 -8.1128 -5.3293 -5.3293 -5.0694 -5.0694 -4.5035 -4.5035 -3.7737 -3.7737 -3.6374 -3.6374 -2.7231 -2.7231 -2.5568 -2.5568 -2.3847 -2.3847 -2.2303 -2.2303 -1.7146 -1.7146 -1.2978 -1.2978 2.1209 2.1209 2.1368 2.1368 2.4251 2.4251 2.4885 2.4885 2.6009 2.6009 5.2135 5.2135 5.9149 5.9149 6.1675 6.1675 6.4213 6.4213 6.7572 6.7572 7.3252 7.3252 7.3935 7.3935 7.5107 7.5107 7.9033 7.9033 10.4290 10.4290 11.9632 11.9632 12.5411 12.5411 12.6516 12.6516 13.1965 13.1965 13.7329 13.7329 k = 0.0000 0.5000 0.0778 ( 5698 PWs) bands (ev): -18.2079 -18.2079 -17.7787 -17.7787 -17.7477 -17.7477 -8.1122 -8.1122 -5.3409 -5.3409 -5.0565 -5.0565 -4.5064 -4.5064 -3.7705 -3.7705 -3.6382 -3.6382 -2.7236 -2.7236 -2.5623 -2.5623 -2.3910 -2.3910 -2.2182 -2.2182 -1.7118 -1.7118 -1.3043 -1.3043 2.1210 2.1210 2.1378 2.1378 2.4252 2.4252 2.4886 2.4886 2.6080 2.6080 5.2425 5.2425 5.9123 5.9123 6.1677 6.1677 6.3823 6.3823 6.7727 6.7727 7.3163 7.3163 7.4055 7.4055 7.4542 7.4542 7.9144 7.9144 10.4458 10.4458 11.9879 11.9879 12.5317 12.5317 12.6555 12.6555 13.2253 13.2253 13.7071 13.7071 k = 0.0000 0.5000 0.0908 ( 5696 PWs) bands (ev): -18.2079 -18.2079 -17.7782 -17.7782 -17.7483 -17.7483 -8.1115 -8.1115 -5.3524 -5.3524 -5.0434 -5.0434 -4.5095 -4.5095 -3.7669 -3.7669 -3.6393 -3.6393 -2.7242 -2.7242 -2.5678 -2.5678 -2.3977 -2.3977 -2.2057 -2.2057 -1.7087 -1.7087 -1.3115 -1.3115 2.1211 2.1211 2.1389 2.1389 2.4254 2.4254 2.4888 2.4888 2.6157 2.6157 5.2760 5.2760 5.9090 5.9090 6.1680 6.1680 6.3443 6.3443 6.7847 6.7847 7.3063 7.3063 7.3874 7.3874 7.4238 7.4238 7.9263 7.9263 10.4636 10.4636 12.0126 12.0126 12.5225 12.5225 12.6588 12.6588 13.2615 13.2615 13.6804 13.6804 k = 0.0000 0.5000 0.1037 ( 5708 PWs) bands (ev): -18.2079 -18.2079 -17.7776 -17.7776 -17.7489 -17.7489 -8.1108 -8.1108 -5.3636 -5.3636 -5.0307 -5.0307 -4.5127 -4.5127 -3.7629 -3.7629 -3.6406 -3.6406 -2.7248 -2.7248 -2.5731 -2.5731 -2.4048 -2.4048 -2.1931 -2.1931 -1.7052 -1.7052 -1.3192 -1.3192 2.1212 2.1212 2.1400 2.1400 2.4256 2.4256 2.4889 2.4889 2.6239 2.6239 5.3138 5.3138 5.9049 5.9049 6.1683 6.1683 6.3079 6.3079 6.7937 6.7937 7.2919 7.2919 7.3257 7.3257 7.4378 7.4378 7.9385 7.9385 10.4817 10.4817 12.0360 12.0360 12.5141 12.5141 12.6615 12.6615 13.3051 13.3051 13.6539 13.6539 k = 0.0000 0.5000 0.1167 ( 5702 PWs) bands (ev): -18.2079 -18.2079 -17.7770 -17.7770 -17.7495 -17.7495 -8.1101 -8.1101 -5.3741 -5.3741 -5.0187 -5.0187 -4.5159 -4.5159 -3.7587 -3.7587 -3.6420 -3.6420 -2.7255 -2.7255 -2.5780 -2.5780 -2.4120 -2.4120 -2.1809 -2.1809 -1.7015 -1.7015 -1.3270 -1.3270 2.1213 2.1213 2.1411 2.1411 2.4258 2.4258 2.4890 2.4890 2.6322 2.6322 5.3553 5.3553 5.8998 5.8998 6.1686 6.1686 6.2737 6.2737 6.8000 6.8000 7.2429 7.2429 7.2951 7.2951 7.4536 7.4536 7.9506 7.9506 10.4994 10.4994 12.0573 12.0573 12.5069 12.5069 12.6633 12.6633 13.3553 13.3553 13.6284 13.6284 k = 0.0000 0.5000 0.1297 ( 5708 PWs) bands (ev): -18.2079 -18.2079 -17.7763 -17.7763 -17.7501 -17.7501 -8.1094 -8.1094 -5.3838 -5.3838 -5.0075 -5.0075 -4.5189 -4.5189 -3.7543 -3.7543 -3.6435 -3.6435 -2.7261 -2.7261 -2.5824 -2.5824 -2.4191 -2.4191 -2.1695 -2.1695 -1.6978 -1.6978 -1.3347 -1.3347 2.1213 2.1213 2.1421 2.1421 2.4259 2.4259 2.4891 2.4891 2.6404 2.6404 5.3997 5.3997 5.8935 5.8935 6.1689 6.1689 6.2422 6.2422 6.8041 6.8041 7.1740 7.1740 7.2842 7.2842 7.4693 7.4693 7.9622 7.9622 10.5160 10.5160 12.0760 12.0760 12.5011 12.5011 12.6643 12.6643 13.4107 13.4107 13.6045 13.6045 k = 0.0000 0.5000 0.1426 ( 5696 PWs) bands (ev): -18.2079 -18.2079 -17.7757 -17.7757 -17.7508 -17.7508 -8.1087 -8.1087 -5.3924 -5.3924 -4.9976 -4.9976 -4.5218 -4.5218 -3.7499 -3.7499 -3.6452 -3.6452 -2.7268 -2.7268 -2.5862 -2.5862 -2.4258 -2.4258 -2.1590 -2.1590 -1.6941 -1.6941 -1.3421 -1.3421 2.1215 2.1215 2.1431 2.1431 2.4261 2.4261 2.4892 2.4892 2.6481 2.6481 5.4463 5.4463 5.8857 5.8857 6.1692 6.1692 6.2138 6.2138 6.8065 6.8065 7.1052 7.1052 7.2757 7.2757 7.4845 7.4845 7.9730 7.9730 10.5310 10.5310 12.0918 12.0918 12.4969 12.4969 12.6645 12.6645 13.4692 13.4692 13.5830 13.5830 k = 0.0000 0.5000 0.1556 ( 5700 PWs) bands (ev): -18.2079 -18.2079 -17.7751 -17.7751 -17.7514 -17.7514 -8.1081 -8.1081 -5.3999 -5.3999 -4.9889 -4.9889 -4.5243 -4.5243 -3.7457 -3.7457 -3.6469 -3.6469 -2.7274 -2.7274 -2.5894 -2.5894 -2.4321 -2.4321 -2.1497 -2.1497 -1.6906 -1.6906 -1.3489 -1.3489 2.1215 2.1215 2.1440 2.1440 2.4263 2.4263 2.4892 2.4892 2.6550 2.6550 5.4938 5.4938 5.8761 5.8761 6.1694 6.1694 6.1892 6.1892 6.8076 6.8076 7.0401 7.0401 7.2685 7.2685 7.4983 7.4983 7.9826 7.9826 10.5441 10.5441 12.1047 12.1047 12.4941 12.4941 12.6642 12.6642 13.5270 13.5270 13.5653 13.5653 k = 0.0000 0.5000 0.1686 ( 5692 PWs) bands (ev): -18.2079 -18.2079 -17.7745 -17.7745 -17.7520 -17.7520 -8.1075 -8.1075 -5.4062 -5.4062 -4.9817 -4.9817 -4.5265 -4.5265 -3.7419 -3.7419 -3.6485 -3.6485 -2.7279 -2.7279 -2.5920 -2.5920 -2.4375 -2.4375 -2.1419 -2.1419 -1.6874 -1.6874 -1.3549 -1.3549 2.1216 2.1216 2.1447 2.1447 2.4265 2.4265 2.4893 2.4893 2.6611 2.6611 5.5407 5.5407 5.8645 5.8645 6.1676 6.1676 6.1704 6.1704 6.8079 6.8079 6.9815 6.9815 7.2624 7.2624 7.5103 7.5103 7.9908 7.9908 10.5550 10.5550 12.1148 12.1148 12.4924 12.4924 12.6636 12.6636 13.5454 13.5454 13.5872 13.5872 k = 0.0000 0.5000 0.1815 ( 5694 PWs) bands (ev): -18.2079 -18.2079 -17.7741 -17.7741 -17.7524 -17.7524 -8.1071 -8.1071 -5.4111 -5.4111 -4.9760 -4.9760 -4.5282 -4.5282 -3.7386 -3.7386 -3.6500 -3.6500 -2.7284 -2.7284 -2.5939 -2.5939 -2.4420 -2.4420 -2.1356 -2.1356 -1.6847 -1.6847 -1.3598 -1.3598 2.1217 2.1217 2.1453 2.1453 2.4266 2.4266 2.4894 2.4894 2.6660 2.6660 5.5850 5.5850 5.8508 5.8508 6.1518 6.1518 6.1699 6.1699 6.8076 6.8076 6.9323 6.9323 7.2576 7.2576 7.5202 7.5202 7.9974 7.9974 10.5636 10.5636 12.1224 12.1224 12.4916 12.4916 12.6629 12.6629 13.5338 13.5338 13.6360 13.6360 k = 0.0000 0.5000 0.1945 ( 5686 PWs) bands (ev): -18.2079 -18.2079 -17.7737 -17.7737 -17.7528 -17.7528 -8.1068 -8.1068 -5.4147 -5.4147 -4.9719 -4.9719 -4.5295 -4.5295 -3.7360 -3.7360 -3.6512 -3.6512 -2.7287 -2.7287 -2.5953 -2.5953 -2.4454 -2.4454 -2.1311 -2.1311 -1.6826 -1.6826 -1.3635 -1.3635 2.1217 2.1217 2.1458 2.1458 2.4267 2.4267 2.4894 2.4894 2.6697 2.6697 5.6237 5.6237 5.8360 5.8360 6.1399 6.1399 6.1700 6.1700 6.8069 6.8069 6.8950 6.8950 7.2541 7.2541 7.5274 7.5274 8.0023 8.0023 10.5697 10.5697 12.1276 12.1276 12.4913 12.4913 12.6623 12.6623 13.5248 13.5248 13.6753 13.6753 k = 0.0000 0.5000 0.2075 ( 5686 PWs) bands (ev): -18.2079 -18.2079 -17.7735 -17.7735 -17.7530 -17.7530 -8.1066 -8.1066 -5.4168 -5.4168 -4.9694 -4.9694 -4.5302 -4.5302 -3.7344 -3.7344 -3.6520 -3.6520 -2.7289 -2.7289 -2.5961 -2.5961 -2.4475 -2.4475 -2.1283 -2.1283 -1.6814 -1.6814 -1.3657 -1.3657 2.1218 2.1218 2.1460 2.1460 2.4267 2.4267 2.4895 2.4895 2.6719 2.6719 5.6520 5.6520 5.8230 5.8230 6.1326 6.1326 6.1701 6.1701 6.8062 6.8062 6.8718 6.8718 7.2520 7.2520 7.5319 7.5319 8.0053 8.0053 10.5734 10.5734 12.1306 12.1306 12.4913 12.4913 12.6619 12.6619 13.5192 13.5192 13.7008 13.7008 k = 0.0000 0.5000 0.2204 ( 5688 PWs) bands (ev): -18.2079 -18.2079 -17.7734 -17.7734 -17.7531 -17.7531 -8.1065 -8.1065 -5.4176 -5.4176 -4.9686 -4.9686 -4.5305 -4.5305 -3.7339 -3.7339 -3.6522 -3.6522 -2.7290 -2.7290 -2.5964 -2.5964 -2.4482 -2.4482 -2.1274 -2.1274 -1.6809 -1.6809 -1.3665 -1.3665 2.1218 2.1218 2.1461 2.1461 2.4267 2.4267 2.4895 2.4895 2.6726 2.6726 5.6629 5.6629 5.8174 5.8174 6.1302 6.1302 6.1701 6.1701 6.8058 6.8058 6.8640 6.8640 7.2513 7.2513 7.5334 7.5334 8.0063 8.0063 10.5746 10.5746 12.1316 12.1316 12.4913 12.4913 12.6618 12.6618 13.5174 13.5174 13.7096 13.7096 k = 0.5000 0.5000-0.0000 ( 5704 PWs) bands (ev): -18.1629 -18.1629 -17.7346 -17.7346 -17.7016 -17.7016 -7.8843 -7.8843 -5.2028 -5.2028 -4.7140 -4.7140 -4.5765 -4.5765 -3.7763 -3.7763 -3.7653 -3.7653 -3.3285 -3.3285 -2.8086 -2.8086 -2.8010 -2.8010 -2.5864 -2.5864 -2.5707 -2.5707 -2.2047 -2.2047 2.1533 2.1533 2.1581 2.1581 2.4518 2.4518 2.4980 2.4980 2.5298 2.5298 5.9475 5.9475 6.8105 6.8105 6.8998 6.8998 7.0421 7.0421 7.8439 7.8439 7.8898 7.8898 8.0627 8.0627 8.8095 8.8095 9.0034 9.0034 10.4511 10.4511 10.4527 10.4527 10.7090 10.7090 10.7106 10.7106 12.0851 12.0851 13.0774 13.0774 k = 0.5000 0.5000 0.0130 ( 5704 PWs) bands (ev): -18.1629 -18.1629 -17.7346 -17.7346 -17.7017 -17.7017 -7.8842 -7.8842 -5.2029 -5.2029 -4.7145 -4.7145 -4.5762 -4.5762 -3.8041 -3.8041 -3.7357 -3.7357 -3.3289 -3.3289 -2.8115 -2.8115 -2.7983 -2.7983 -2.6009 -2.6009 -2.5554 -2.5554 -2.2068 -2.2068 2.1533 2.1533 2.1585 2.1585 2.4518 2.4518 2.4988 2.4988 2.5298 2.5298 5.9499 5.9499 6.8090 6.8090 6.9003 6.9003 7.0425 7.0425 7.8387 7.8387 7.8891 7.8891 8.0618 8.0618 8.8105 8.8105 9.0042 9.0042 10.4146 10.4146 10.4170 10.4170 10.7489 10.7489 10.7511 10.7511 12.0903 12.0903 13.0830 13.0830 k = 0.5000 0.5000 0.0259 ( 5684 PWs) bands (ev): -18.1629 -18.1629 -17.7345 -17.7345 -17.7018 -17.7018 -7.8840 -7.8840 -5.2033 -5.2033 -4.7159 -4.7159 -4.5753 -4.5753 -3.8348 -3.8348 -3.6995 -3.6995 -3.3302 -3.3302 -2.8165 -2.8165 -2.7939 -2.7939 -2.6202 -2.6202 -2.5337 -2.5337 -2.2133 -2.2133 2.1533 2.1533 2.1595 2.1595 2.4518 2.4518 2.5011 2.5011 2.5298 2.5298 5.9571 5.9571 6.8046 6.8046 6.9016 6.9016 7.0438 7.0438 7.8232 7.8232 7.8869 7.8869 8.0594 8.0594 8.8137 8.8137 9.0067 9.0067 10.3383 10.3383 10.3427 10.3427 10.8358 10.8358 10.8392 10.8392 12.1057 12.1057 13.0998 13.0998 k = 0.5000 0.5000 0.0389 ( 5676 PWs) bands (ev): -18.1629 -18.1629 -17.7342 -17.7342 -17.7020 -17.7020 -7.8837 -7.8837 -5.2039 -5.2039 -4.7182 -4.7182 -4.5739 -4.5739 -3.8637 -3.8637 -3.6614 -3.6614 -3.3323 -3.3323 -2.8218 -2.8218 -2.7894 -2.7894 -2.6388 -2.6388 -2.5112 -2.5112 -2.2238 -2.2238 2.1531 2.1531 2.1611 2.1611 2.4518 2.4518 2.5047 2.5047 2.5298 2.5298 5.9690 5.9690 6.7975 6.7975 6.9039 6.9039 7.0460 7.0460 7.7975 7.7975 7.8834 7.8834 8.0555 8.0555 8.8189 8.8189 9.0109 9.0109 10.2523 10.2523 10.2590 10.2590 10.9405 10.9405 10.9450 10.9450 12.1310 12.1310 13.1270 13.1270 k = 0.5000 0.5000 0.0519 ( 5676 PWs) bands (ev): -18.1629 -18.1629 -17.7339 -17.7339 -17.7023 -17.7023 -7.8833 -7.8833 -5.2047 -5.2047 -4.7213 -4.7213 -4.5721 -4.5721 -3.8905 -3.8905 -3.6218 -3.6218 -3.3351 -3.3351 -2.8272 -2.8272 -2.7854 -2.7854 -2.6562 -2.6562 -2.4885 -2.4885 -2.2383 -2.2383 2.1530 2.1530 2.1631 2.1631 2.4517 2.4517 2.5097 2.5097 2.5297 2.5297 5.9857 5.9857 6.7879 6.7879 6.9070 6.9070 7.0490 7.0490 7.7624 7.7624 7.8786 7.8786 8.0504 8.0504 8.8262 8.8262 9.0166 9.0166 10.1657 10.1657 10.1750 10.1750 11.0539 11.0539 11.0593 11.0593 12.1658 12.1658 13.1641 13.1641 k = 0.5000 0.5000 0.0648 ( 5644 PWs) bands (ev): -18.1629 -18.1629 -17.7336 -17.7336 -17.7027 -17.7027 -7.8827 -7.8827 -5.2057 -5.2057 -4.7249 -4.7249 -4.5699 -4.5699 -3.9154 -3.9154 -3.5808 -3.5808 -3.3386 -3.3386 -2.8325 -2.8325 -2.7819 -2.7819 -2.6722 -2.6722 -2.4659 -2.4659 -2.2564 -2.2564 2.1528 2.1528 2.1656 2.1656 2.4517 2.4517 2.5160 2.5160 2.5296 2.5296 6.0069 6.0069 6.7761 6.7761 6.9108 6.9108 7.0528 7.0528 7.7185 7.7185 7.8727 7.8727 8.0444 8.0444 8.8353 8.8353 9.0239 9.0239 10.0811 10.0811 10.0934 10.0934 11.1733 11.1733 11.1794 11.1794 12.2094 12.2094 13.2098 13.2098 k = 0.5000 0.5000 0.0778 ( 5644 PWs) bands (ev): -18.1629 -18.1629 -17.7331 -17.7331 -17.7032 -17.7032 -7.8821 -7.8821 -5.2068 -5.2068 -4.7289 -4.7289 -4.5675 -4.5675 -3.9382 -3.9382 -3.5387 -3.5387 -3.3426 -3.3426 -2.8376 -2.8376 -2.7792 -2.7792 -2.6869 -2.6869 -2.4437 -2.4437 -2.2777 -2.2777 2.1525 2.1525 2.1683 2.1683 2.4517 2.4517 2.5232 2.5232 2.5294 2.5294 6.0327 6.0327 6.7627 6.7627 6.9153 6.9153 7.0571 7.0571 7.6669 7.6669 7.8658 7.8658 8.0375 8.0375 8.8462 8.8462 9.0326 9.0326 10.0000 10.0000 10.0153 10.0153 11.2973 11.2973 11.3040 11.3040 12.2609 12.2609 13.2628 13.2628 k = 0.5000 0.5000 0.0908 ( 5652 PWs) bands (ev): -18.1629 -18.1629 -17.7326 -17.7326 -17.7037 -17.7037 -7.8814 -7.8814 -5.2080 -5.2080 -4.7332 -4.7332 -4.5650 -4.5650 -3.9590 -3.9590 -3.4957 -3.4957 -3.3469 -3.3469 -2.8425 -2.8425 -2.7775 -2.7775 -2.7001 -2.7001 -2.4222 -2.4222 -2.3016 -2.3016 2.1522 2.1522 2.1710 2.1710 2.4516 2.4516 2.5292 2.5292 2.5311 2.5311 6.0628 6.0628 6.7480 6.7480 6.9203 6.9203 7.0621 7.0621 7.6086 7.6086 7.8583 7.8583 8.0301 8.0301 8.8588 8.8588 9.0427 9.0427 9.9228 9.9228 9.9415 9.9415 11.4254 11.4254 11.4324 11.4324 12.3193 12.3193 13.3216 13.3216 k = 0.5000 0.5000 0.1037 ( 5652 PWs) bands (ev): -18.1629 -18.1629 -17.7321 -17.7321 -17.7042 -17.7042 -7.8806 -7.8806 -5.2093 -5.2093 -4.7377 -4.7377 -4.5625 -4.5625 -3.9777 -3.9777 -3.4520 -3.4520 -3.3515 -3.3515 -2.8471 -2.8471 -2.7769 -2.7769 -2.7119 -2.7119 -2.4018 -2.4018 -2.3275 -2.3275 2.1519 2.1519 2.1738 2.1738 2.4515 2.4515 2.5291 2.5291 2.5396 2.5396 6.0970 6.0970 6.7326 6.7326 6.9256 6.9256 7.0674 7.0674 7.5450 7.5450 7.8504 7.8504 8.0224 8.0224 8.8729 8.8729 9.0541 9.0541 9.8501 9.8501 9.8722 9.8722 11.5571 11.5571 11.5644 11.5644 12.3835 12.3835 13.3844 13.3844 k = 0.5000 0.5000 0.1167 ( 5652 PWs) bands (ev): -18.1629 -18.1629 -17.7315 -17.7315 -17.7048 -17.7048 -7.8799 -7.8799 -5.2106 -5.2106 -4.7421 -4.7421 -4.5600 -4.5600 -3.9943 -3.9943 -3.4082 -3.4082 -3.3561 -3.3561 -2.8513 -2.8513 -2.7778 -2.7778 -2.7222 -2.7222 -2.3826 -2.3826 -2.3546 -2.3546 2.1516 2.1516 2.1766 2.1766 2.4514 2.4514 2.5289 2.5289 2.5484 2.5484 6.1349 6.1349 6.7170 6.7170 6.9312 6.9312 7.0730 7.0730 7.4775 7.4775 7.8423 7.8423 8.0146 8.0146 8.8882 8.8882 9.0666 9.0666 9.7821 9.7821 9.8078 9.8078 11.6921 11.6921 11.6995 11.6995 12.4522 12.4522 13.4494 13.4494 k = 0.5000 0.5000 0.1297 ( 5644 PWs) bands (ev): -18.1629 -18.1629 -17.7309 -17.7309 -17.7054 -17.7054 -7.8792 -7.8792 -5.2119 -5.2119 -4.7463 -4.7463 -4.5577 -4.5577 -4.0090 -4.0090 -3.3646 -3.3646 -3.3607 -3.3607 -2.8550 -2.8550 -2.7803 -2.7803 -2.7312 -2.7312 -2.3821 -2.3821 -2.3650 -2.3650 2.1513 2.1513 2.1791 2.1791 2.4513 2.4513 2.5287 2.5287 2.5571 2.5571 6.1759 6.1759 6.7018 6.7018 6.9370 6.9370 7.0785 7.0785 7.4077 7.4077 7.8342 7.8342 8.0070 8.0070 8.9044 8.9044 9.0801 9.0801 9.7194 9.7194 9.7485 9.7485 11.8301 11.8301 11.8375 11.8375 12.5239 12.5239 13.5147 13.5147 k = 0.5000 0.5000 0.1426 ( 5652 PWs) bands (ev): -18.1629 -18.1629 -17.7303 -17.7303 -17.7060 -17.7060 -7.8785 -7.8785 -5.2132 -5.2132 -4.7503 -4.7503 -4.5556 -4.5556 -4.0216 -4.0216 -3.3649 -3.3649 -3.3219 -3.3219 -2.8583 -2.8583 -2.7848 -2.7848 -2.7388 -2.7388 -2.4090 -2.4090 -2.3492 -2.3492 2.1510 2.1510 2.1814 2.1814 2.4512 2.4512 2.5286 2.5286 2.5655 2.5655 6.2192 6.2192 6.6875 6.6875 6.9426 6.9426 7.0840 7.0840 7.3371 7.3371 7.8265 7.8265 7.9996 7.9996 8.9211 8.9211 9.0941 9.0941 9.6623 9.6623 9.6947 9.6947 11.9708 11.9708 11.9781 11.9781 12.5966 12.5966 13.5781 13.5781 k = 0.5000 0.5000 0.1556 ( 5652 PWs) bands (ev): -18.1629 -18.1629 -17.7298 -17.7298 -17.7066 -17.7066 -7.8778 -7.8778 -5.2143 -5.2143 -4.7538 -4.7538 -4.5537 -4.5537 -4.0323 -4.0323 -3.3688 -3.3688 -3.2809 -3.2809 -2.8611 -2.8611 -2.7914 -2.7914 -2.7451 -2.7451 -2.4341 -2.4341 -2.3355 -2.3355 2.1507 2.1507 2.1834 2.1834 2.4512 2.4512 2.5284 2.5284 2.5731 2.5731 6.2637 6.2637 6.6745 6.6745 6.9482 6.9482 7.0890 7.0890 7.2676 7.2676 7.8194 7.8194 7.9930 7.9930 8.9378 8.9378 9.1084 9.1084 9.6114 9.6114 9.6467 9.6467 12.1137 12.1137 12.1209 12.1209 12.6684 12.6684 13.6371 13.6371 k = 0.5000 0.5000 0.1686 ( 5660 PWs) bands (ev): -18.1629 -18.1629 -17.7293 -17.7293 -17.7071 -17.7071 -7.8773 -7.8773 -5.2153 -5.2153 -4.7568 -4.7568 -4.5522 -4.5522 -4.0410 -4.0410 -3.3722 -3.3722 -3.2429 -3.2429 -2.8633 -2.8633 -2.8000 -2.8000 -2.7502 -2.7502 -2.4563 -2.4563 -2.3239 -2.3239 2.1505 2.1505 2.1850 2.1850 2.4511 2.4511 2.5282 2.5282 2.5799 2.5799 6.3077 6.3077 6.6633 6.6633 6.9537 6.9537 7.0935 7.0935 7.2017 7.2017 7.8132 7.8132 7.9871 7.9871 8.9538 8.9538 9.1223 9.1223 9.5675 9.5675 9.6053 9.6053 12.2585 12.2585 12.2655 12.2655 12.7366 12.7366 13.5268 13.5268 k = 0.5000 0.5000 0.1815 ( 5660 PWs) bands (ev): -18.1629 -18.1629 -17.7288 -17.7288 -17.7075 -17.7075 -7.8768 -7.8768 -5.2160 -5.2160 -4.7592 -4.7592 -4.5509 -4.5509 -4.0477 -4.0477 -3.3749 -3.3749 -3.2094 -3.2094 -2.8648 -2.8648 -2.8099 -2.8099 -2.7541 -2.7541 -2.4745 -2.4745 -2.3147 -2.3147 2.1503 2.1503 2.1864 2.1864 2.4510 2.4510 2.5281 2.5281 2.5853 2.5853 6.3486 6.3486 6.6542 6.6542 6.9591 6.9591 7.0972 7.0972 7.1420 7.1420 7.8082 7.8082 7.9823 7.9823 8.9681 8.9681 9.1350 9.1350 9.5314 9.5314 9.5712 9.5712 12.4040 12.4040 12.4110 12.4110 12.7977 12.7977 13.3708 13.3708 k = 0.5000 0.5000 0.1945 ( 5660 PWs) bands (ev): -18.1629 -18.1629 -17.7285 -17.7285 -17.7079 -17.7079 -7.8765 -7.8765 -5.2166 -5.2166 -4.7610 -4.7610 -4.5500 -4.5500 -4.0525 -4.0525 -3.3769 -3.3769 -3.1826 -3.1826 -2.8656 -2.8656 -2.8197 -2.8197 -2.7569 -2.7569 -2.4881 -2.4881 -2.3081 -2.3081 2.1501 2.1501 2.1873 2.1873 2.4510 2.4510 2.5280 2.5280 2.5894 2.5894 6.3829 6.3829 6.6475 6.6475 6.9649 6.9649 7.0922 7.0922 7.1000 7.1000 7.8044 7.8044 7.9788 7.9788 8.9795 8.9795 9.1455 9.1455 9.5044 9.5044 9.5455 9.5455 12.5482 12.5482 12.5552 12.5552 12.8474 12.8474 13.2191 13.2191 k = 0.5000 0.5000 0.2075 ( 5648 PWs) bands (ev): -18.1629 -18.1629 -17.7283 -17.7283 -17.7081 -17.7081 -7.8763 -7.8763 -5.2170 -5.2170 -4.7621 -4.7621 -4.5494 -4.5494 -4.0554 -4.0554 -3.3782 -3.3782 -3.1649 -3.1649 -2.8658 -2.8658 -2.8273 -2.8273 -2.7586 -2.7586 -2.4964 -2.4964 -2.3041 -2.3041 2.1500 2.1500 2.1879 2.1879 2.4510 2.4510 2.5280 2.5280 2.5920 2.5920 6.4064 6.4064 6.6434 6.6434 6.9707 6.9707 7.0570 7.0570 7.1017 7.1017 7.8020 7.8020 7.9766 7.9766 8.9871 8.9871 9.1524 9.1524 9.4876 9.4876 9.5294 9.5294 12.6824 12.6824 12.6901 12.6901 12.8804 12.8804 13.0802 13.0802 k = 0.5000 0.5000 0.2204 ( 5648 PWs) bands (ev): -18.1629 -18.1629 -17.7282 -17.7282 -17.7081 -17.7081 -7.8762 -7.8762 -5.2171 -5.2171 -4.7625 -4.7625 -4.5492 -4.5492 -4.0564 -4.0564 -3.3786 -3.3786 -3.1587 -3.1587 -2.8658 -2.8658 -2.8302 -2.8302 -2.7591 -2.7591 -2.4992 -2.4992 -2.3027 -2.3027 2.1500 2.1500 2.1881 2.1881 2.4510 2.4510 2.5280 2.5280 2.5928 2.5928 6.4147 6.4147 6.6420 6.6420 6.9738 6.9738 7.0435 7.0435 7.1023 7.1023 7.8013 7.8013 7.9758 7.9758 8.9897 8.9897 9.1549 9.1549 9.4818 9.4818 9.5239 9.5239 12.7573 12.7573 12.7662 12.7662 12.8918 12.8918 13.0039 13.0039 Writing output data file Ba3ZnN2O.save init_run : 0.39s CPU 0.56s WALL ( 1 calls) electrons : 287.36s CPU 291.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 287.34s CPU 291.06s 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 : 0.10s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.12s WALL ( 326 calls) cegterg : 268.18s CPU 271.17s WALL ( 479 calls) Called by sum_band: Called by *egterg: h_psi : 133.87s CPU 135.95s WALL ( 8273 calls) s_psi : 11.36s CPU 11.32s WALL ( 8273 calls) g_psi : 0.53s CPU 0.46s WALL ( 7468 calls) cdiaghg : 97.23s CPU 98.47s WALL ( 7794 calls) cegterg:over : 14.14s CPU 14.23s WALL ( 7468 calls) cegterg:upda : 13.79s CPU 13.59s WALL ( 7468 calls) cegterg:last : 6.58s CPU 6.64s WALL ( 1366 calls) cdiaghg:chol : 5.71s CPU 5.72s WALL ( 7794 calls) cdiaghg:inve : 3.98s CPU 4.14s WALL ( 7794 calls) cdiaghg:para : 7.28s CPU 7.33s WALL ( 15588 calls) Called by h_psi: h_psi:vloc : 110.47s CPU 112.30s WALL ( 8273 calls) h_psi:vnl : 22.97s CPU 23.15s WALL ( 8273 calls) add_vuspsi : 12.26s CPU 12.27s WALL ( 8273 calls) General routines calbec : 10.70s CPU 10.85s WALL ( 8273 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 103.39s CPU 105.19s WALL ( 1111048 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.36s WALL ( 652 calls) Parallel routines fft_scatter : 36.28s CPU 37.05s WALL ( 1111071 calls) PWSCF : 5m12.57s CPU 5m29.28s WALL This run was terminated on: 14: 0:27 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=