Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 15: 6:59 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./CsMnSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 28 8 1832 1832 270 Max 29 29 10 1845 1845 276 Sum 2077 2077 593 132475 132475 19643 bravais-lattice index = 14 lattice parameter (alat) = 9.0253 a.u. unit-cell volume = 1369.5211 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.025331 celldm(2)= 1.000000 celldm(3)= 1.862856 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.862856 ) 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 0.536810 ) PseudoPot. # 1 for Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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 PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 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 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Mn 15.00 54.93800 Mn( 1.00) Sb 5.00 121.76000 Sb( 1.00) Cs 9.00 132.90550 Cs( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 289 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0034602 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0034602 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0034602 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0034602 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0034602 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0034602 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0034602 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0034602 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0034602 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0034602 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0034602 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0034602 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0034602 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0034602 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0034602 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0034602 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0034602 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0034602 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0034602 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0034602 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0034602 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0034602 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0034602 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0034602 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0034602 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0034602 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0034602 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0034602 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0034602 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0034602 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0034602 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0034602 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034602 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034602 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0034602 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0034602 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0034602 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0034602 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0034602 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0034602 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0034602 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0034602 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0034602 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0034602 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0034602 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0034602 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0034602 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0034602 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0034602 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0034602 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0034602 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0034602 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0034602 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0034602 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0034602 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0034602 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0034602 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0034602 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0034602 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0034602 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0034602 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0034602 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0034602 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0034602 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0034602 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0034602 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034602 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034602 k( 70) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0034602 k( 71) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0034602 k( 72) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0034602 k( 73) = ( 0.4574468 0.4574468 -0.0000000), wk = 0.0034602 k( 74) = ( 0.4468085 0.4468085 -0.0000000), wk = 0.0034602 k( 75) = ( 0.4361702 0.4361702 -0.0000000), wk = 0.0034602 k( 76) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0034602 k( 77) = ( 0.4148936 0.4148936 -0.0000000), wk = 0.0034602 k( 78) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0034602 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0034602 k( 80) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0034602 k( 81) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0034602 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0034602 k( 83) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0034602 k( 84) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0034602 k( 85) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0034602 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0034602 k( 87) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0034602 k( 88) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0034602 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0034602 k( 90) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0034602 k( 91) = ( 0.2659574 0.2659574 -0.0000000), wk = 0.0034602 k( 92) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0034602 k( 93) = ( 0.2446809 0.2446808 -0.0000000), wk = 0.0034602 k( 94) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0034602 k( 95) = ( 0.2234043 0.2234043 -0.0000000), wk = 0.0034602 k( 96) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0034602 k( 97) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0034602 k( 98) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0034602 k( 99) = ( 0.1808511 0.1808511 -0.0000000), wk = 0.0034602 k( 100) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0034602 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0034602 k( 102) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0034602 k( 103) = ( 0.1382979 0.1382979 -0.0000000), wk = 0.0034602 k( 104) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0034602 k( 105) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0034602 k( 106) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0034602 k( 107) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0034602 k( 108) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0034602 k( 109) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0034602 k( 110) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0034602 k( 111) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0034602 k( 112) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0034602 k( 113) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0034602 k( 114) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0034602 k( 115) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0034602 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 118) = ( 0.0000000 0.0000000 0.0149114), wk = 0.0034602 k( 119) = ( 0.0000000 0.0000000 0.0298228), wk = 0.0034602 k( 120) = ( 0.0000000 0.0000000 0.0447342), wk = 0.0034602 k( 121) = ( 0.0000000 0.0000000 0.0596456), wk = 0.0034602 k( 122) = ( 0.0000000 0.0000000 0.0745570), wk = 0.0034602 k( 123) = ( 0.0000000 0.0000000 0.0894684), wk = 0.0034602 k( 124) = ( 0.0000000 0.0000000 0.1043798), wk = 0.0034602 k( 125) = ( 0.0000000 0.0000000 0.1192911), wk = 0.0034602 k( 126) = ( 0.0000000 0.0000000 0.1342025), wk = 0.0034602 k( 127) = ( 0.0000000 0.0000000 0.1491139), wk = 0.0034602 k( 128) = ( 0.0000000 0.0000000 0.1640253), wk = 0.0034602 k( 129) = ( 0.0000000 0.0000000 0.1789367), wk = 0.0034602 k( 130) = ( 0.0000000 0.0000000 0.1938481), wk = 0.0034602 k( 131) = ( 0.0000000 0.0000000 0.2087595), wk = 0.0034602 k( 132) = ( 0.0000000 0.0000000 0.2236709), wk = 0.0034602 k( 133) = ( 0.0000000 0.0000000 0.2385823), wk = 0.0034602 k( 134) = ( 0.0000000 0.0000000 0.2534937), wk = 0.0034602 k( 135) = ( 0.0000000 0.0000000 0.2684051), wk = 0.0034602 k( 136) = ( 0.0000000 0.0000000 0.2684051), wk = 0.0034602 k( 137) = ( 0.0000000 0.0151515 0.2684051), wk = 0.0034602 k( 138) = ( 0.0000000 0.0303030 0.2684051), wk = 0.0034602 k( 139) = ( 0.0000000 0.0454546 0.2684051), wk = 0.0034602 k( 140) = ( 0.0000000 0.0606061 0.2684051), wk = 0.0034602 k( 141) = ( 0.0000000 0.0757576 0.2684051), wk = 0.0034602 k( 142) = ( 0.0000000 0.0909091 0.2684051), wk = 0.0034602 k( 143) = ( 0.0000000 0.1060606 0.2684051), wk = 0.0034602 k( 144) = ( 0.0000000 0.1212121 0.2684051), wk = 0.0034602 k( 145) = ( 0.0000000 0.1363636 0.2684051), wk = 0.0034602 k( 146) = ( 0.0000000 0.1515151 0.2684051), wk = 0.0034602 k( 147) = ( 0.0000000 0.1666667 0.2684051), wk = 0.0034602 k( 148) = ( 0.0000000 0.1818182 0.2684051), wk = 0.0034602 k( 149) = ( 0.0000000 0.1969697 0.2684051), wk = 0.0034602 k( 150) = ( 0.0000000 0.2121212 0.2684051), wk = 0.0034602 k( 151) = ( 0.0000000 0.2272727 0.2684051), wk = 0.0034602 k( 152) = ( 0.0000000 0.2424242 0.2684051), wk = 0.0034602 k( 153) = ( 0.0000000 0.2575758 0.2684051), wk = 0.0034602 k( 154) = ( 0.0000000 0.2727273 0.2684051), wk = 0.0034602 k( 155) = ( 0.0000000 0.2878788 0.2684051), wk = 0.0034602 k( 156) = ( 0.0000000 0.3030303 0.2684051), wk = 0.0034602 k( 157) = ( 0.0000000 0.3181818 0.2684051), wk = 0.0034602 k( 158) = ( 0.0000000 0.3333333 0.2684051), wk = 0.0034602 k( 159) = ( 0.0000000 0.3484849 0.2684051), wk = 0.0034602 k( 160) = ( 0.0000000 0.3636364 0.2684051), wk = 0.0034602 k( 161) = ( 0.0000000 0.3787879 0.2684051), wk = 0.0034602 k( 162) = ( 0.0000000 0.3939394 0.2684051), wk = 0.0034602 k( 163) = ( 0.0000000 0.4090909 0.2684051), wk = 0.0034602 k( 164) = ( 0.0000000 0.4242424 0.2684051), wk = 0.0034602 k( 165) = ( 0.0000000 0.4393939 0.2684051), wk = 0.0034602 k( 166) = ( 0.0000000 0.4545455 0.2684051), wk = 0.0034602 k( 167) = ( 0.0000000 0.4696970 0.2684051), wk = 0.0034602 k( 168) = ( 0.0000000 0.4848485 0.2684051), wk = 0.0034602 k( 169) = ( 0.0000000 0.5000000 0.2684051), wk = 0.0034602 k( 170) = ( 0.0000000 0.5000000 0.2684051), wk = 0.0034602 k( 171) = ( 0.0151515 0.5000000 0.2684051), wk = 0.0034602 k( 172) = ( 0.0303030 0.5000000 0.2684051), wk = 0.0034602 k( 173) = ( 0.0454546 0.5000000 0.2684051), wk = 0.0034602 k( 174) = ( 0.0606061 0.5000000 0.2684051), wk = 0.0034602 k( 175) = ( 0.0757576 0.5000000 0.2684051), wk = 0.0034602 k( 176) = ( 0.0909091 0.5000000 0.2684051), wk = 0.0034602 k( 177) = ( 0.1060606 0.5000000 0.2684051), wk = 0.0034602 k( 178) = ( 0.1212121 0.5000000 0.2684051), wk = 0.0034602 k( 179) = ( 0.1363636 0.5000000 0.2684051), wk = 0.0034602 k( 180) = ( 0.1515151 0.5000000 0.2684051), wk = 0.0034602 k( 181) = ( 0.1666667 0.5000000 0.2684051), wk = 0.0034602 k( 182) = ( 0.1818182 0.5000000 0.2684051), wk = 0.0034602 k( 183) = ( 0.1969697 0.5000000 0.2684051), wk = 0.0034602 k( 184) = ( 0.2121212 0.5000000 0.2684051), wk = 0.0034602 k( 185) = ( 0.2272727 0.5000000 0.2684051), wk = 0.0034602 k( 186) = ( 0.2424242 0.5000000 0.2684051), wk = 0.0034602 k( 187) = ( 0.2575758 0.5000000 0.2684051), wk = 0.0034602 k( 188) = ( 0.2727273 0.5000000 0.2684051), wk = 0.0034602 k( 189) = ( 0.2878788 0.5000000 0.2684051), wk = 0.0034602 k( 190) = ( 0.3030303 0.5000000 0.2684051), wk = 0.0034602 k( 191) = ( 0.3181818 0.5000000 0.2684051), wk = 0.0034602 k( 192) = ( 0.3333333 0.5000000 0.2684051), wk = 0.0034602 k( 193) = ( 0.3484849 0.5000000 0.2684051), wk = 0.0034602 k( 194) = ( 0.3636364 0.5000000 0.2684051), wk = 0.0034602 k( 195) = ( 0.3787879 0.5000000 0.2684051), wk = 0.0034602 k( 196) = ( 0.3939394 0.5000000 0.2684051), wk = 0.0034602 k( 197) = ( 0.4090909 0.5000000 0.2684051), wk = 0.0034602 k( 198) = ( 0.4242424 0.5000000 0.2684051), wk = 0.0034602 k( 199) = ( 0.4393939 0.5000000 0.2684051), wk = 0.0034602 k( 200) = ( 0.4545455 0.5000000 0.2684051), wk = 0.0034602 k( 201) = ( 0.4696970 0.5000000 0.2684051), wk = 0.0034602 k( 202) = ( 0.4848485 0.5000000 0.2684051), wk = 0.0034602 k( 203) = ( 0.5000000 0.5000000 0.2684051), wk = 0.0034602 k( 204) = ( 0.5000000 0.5000000 0.2684051), wk = 0.0034602 k( 205) = ( 0.4893617 0.4893617 0.2684051), wk = 0.0034602 k( 206) = ( 0.4787234 0.4787234 0.2684051), wk = 0.0034602 k( 207) = ( 0.4680851 0.4680851 0.2684051), wk = 0.0034602 k( 208) = ( 0.4574468 0.4574468 0.2684051), wk = 0.0034602 k( 209) = ( 0.4468085 0.4468085 0.2684051), wk = 0.0034602 k( 210) = ( 0.4361702 0.4361702 0.2684051), wk = 0.0034602 k( 211) = ( 0.4255319 0.4255319 0.2684051), wk = 0.0034602 k( 212) = ( 0.4148936 0.4148936 0.2684051), wk = 0.0034602 k( 213) = ( 0.4042553 0.4042553 0.2684051), wk = 0.0034602 k( 214) = ( 0.3936170 0.3936170 0.2684051), wk = 0.0034602 k( 215) = ( 0.3829787 0.3829787 0.2684051), wk = 0.0034602 k( 216) = ( 0.3723404 0.3723404 0.2684051), wk = 0.0034602 k( 217) = ( 0.3617021 0.3617021 0.2684051), wk = 0.0034602 k( 218) = ( 0.3510638 0.3510638 0.2684051), wk = 0.0034602 k( 219) = ( 0.3404255 0.3404255 0.2684051), wk = 0.0034602 k( 220) = ( 0.3297872 0.3297872 0.2684051), wk = 0.0034602 k( 221) = ( 0.3191489 0.3191489 0.2684051), wk = 0.0034602 k( 222) = ( 0.3085106 0.3085106 0.2684051), wk = 0.0034602 k( 223) = ( 0.2978723 0.2978723 0.2684051), wk = 0.0034602 k( 224) = ( 0.2872340 0.2872340 0.2684051), wk = 0.0034602 k( 225) = ( 0.2765957 0.2765957 0.2684051), wk = 0.0034602 k( 226) = ( 0.2659574 0.2659574 0.2684051), wk = 0.0034602 k( 227) = ( 0.2553191 0.2553191 0.2684051), wk = 0.0034602 k( 228) = ( 0.2446809 0.2446808 0.2684051), wk = 0.0034602 k( 229) = ( 0.2340425 0.2340425 0.2684051), wk = 0.0034602 k( 230) = ( 0.2234043 0.2234043 0.2684051), wk = 0.0034602 k( 231) = ( 0.2127660 0.2127660 0.2684051), wk = 0.0034602 k( 232) = ( 0.2021277 0.2021277 0.2684051), wk = 0.0034602 k( 233) = ( 0.1914894 0.1914894 0.2684051), wk = 0.0034602 k( 234) = ( 0.1808511 0.1808511 0.2684051), wk = 0.0034602 k( 235) = ( 0.1702128 0.1702128 0.2684051), wk = 0.0034602 k( 236) = ( 0.1595745 0.1595745 0.2684051), wk = 0.0034602 k( 237) = ( 0.1489362 0.1489362 0.2684051), wk = 0.0034602 k( 238) = ( 0.1382979 0.1382979 0.2684051), wk = 0.0034602 k( 239) = ( 0.1276596 0.1276596 0.2684051), wk = 0.0034602 k( 240) = ( 0.1170213 0.1170213 0.2684051), wk = 0.0034602 k( 241) = ( 0.1063830 0.1063830 0.2684051), wk = 0.0034602 k( 242) = ( 0.0957447 0.0957447 0.2684051), wk = 0.0034602 k( 243) = ( 0.0851064 0.0851064 0.2684051), wk = 0.0034602 k( 244) = ( 0.0744681 0.0744681 0.2684051), wk = 0.0034602 k( 245) = ( 0.0638298 0.0638298 0.2684051), wk = 0.0034602 k( 246) = ( 0.0531915 0.0531915 0.2684051), wk = 0.0034602 k( 247) = ( 0.0425532 0.0425532 0.2684051), wk = 0.0034602 k( 248) = ( 0.0319149 0.0319149 0.2684051), wk = 0.0034602 k( 249) = ( 0.0212766 0.0212766 0.2684051), wk = 0.0034602 k( 250) = ( 0.0106383 0.0106383 0.2684051), wk = 0.0034602 k( 251) = ( 0.0000000 0.0000000 0.2684051), wk = 0.0034602 k( 252) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034602 k( 253) = ( 0.0000000 0.5000000 0.0149114), wk = 0.0034602 k( 254) = ( 0.0000000 0.5000000 0.0298228), wk = 0.0034602 k( 255) = ( 0.0000000 0.5000000 0.0447342), wk = 0.0034602 k( 256) = ( 0.0000000 0.5000000 0.0596456), wk = 0.0034602 k( 257) = ( 0.0000000 0.5000000 0.0745570), wk = 0.0034602 k( 258) = ( 0.0000000 0.5000000 0.0894684), wk = 0.0034602 k( 259) = ( 0.0000000 0.5000000 0.1043798), wk = 0.0034602 k( 260) = ( 0.0000000 0.5000000 0.1192911), wk = 0.0034602 k( 261) = ( 0.0000000 0.5000000 0.1342025), wk = 0.0034602 k( 262) = ( 0.0000000 0.5000000 0.1491139), wk = 0.0034602 k( 263) = ( 0.0000000 0.5000000 0.1640253), wk = 0.0034602 k( 264) = ( 0.0000000 0.5000000 0.1789367), wk = 0.0034602 k( 265) = ( 0.0000000 0.5000000 0.1938481), wk = 0.0034602 k( 266) = ( 0.0000000 0.5000000 0.2087595), wk = 0.0034602 k( 267) = ( 0.0000000 0.5000000 0.2236709), wk = 0.0034602 k( 268) = ( 0.0000000 0.5000000 0.2385823), wk = 0.0034602 k( 269) = ( 0.0000000 0.5000000 0.2534937), wk = 0.0034602 k( 270) = ( 0.0000000 0.5000000 0.2684051), wk = 0.0034602 k( 271) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034602 k( 272) = ( 0.5000000 0.5000000 0.0149114), wk = 0.0034602 k( 273) = ( 0.5000000 0.5000000 0.0298228), wk = 0.0034602 k( 274) = ( 0.5000000 0.5000000 0.0447342), wk = 0.0034602 k( 275) = ( 0.5000000 0.5000000 0.0596456), wk = 0.0034602 k( 276) = ( 0.5000000 0.5000000 0.0745570), wk = 0.0034602 k( 277) = ( 0.5000000 0.5000000 0.0894684), wk = 0.0034602 k( 278) = ( 0.5000000 0.5000000 0.1043798), wk = 0.0034602 k( 279) = ( 0.5000000 0.5000000 0.1192911), wk = 0.0034602 k( 280) = ( 0.5000000 0.5000000 0.1342025), wk = 0.0034602 k( 281) = ( 0.5000000 0.5000000 0.1491139), wk = 0.0034602 k( 282) = ( 0.5000000 0.5000000 0.1640253), wk = 0.0034602 k( 283) = ( 0.5000000 0.5000000 0.1789367), wk = 0.0034602 k( 284) = ( 0.5000000 0.5000000 0.1938481), wk = 0.0034602 k( 285) = ( 0.5000000 0.5000000 0.2087595), wk = 0.0034602 k( 286) = ( 0.5000000 0.5000000 0.2236709), wk = 0.0034602 k( 287) = ( 0.5000000 0.5000000 0.2385823), wk = 0.0034602 k( 288) = ( 0.5000000 0.5000000 0.2534937), wk = 0.0034602 k( 289) = ( 0.5000000 0.5000000 0.2684051), wk = 0.0034602 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0034602 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0034602 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0034602 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0034602 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0034602 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0034602 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0034602 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0034602 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0034602 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0034602 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0034602 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0034602 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0034602 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0034602 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0034602 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0034602 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0034602 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0034602 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0034602 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0034602 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0034602 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0034602 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0034602 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0034602 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0034602 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0034602 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0034602 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0034602 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0034602 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0034602 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0034602 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0034602 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034602 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034602 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0034602 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0034602 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0034602 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0034602 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0034602 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0034602 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0034602 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0034602 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0034602 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0034602 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0034602 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0034602 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0034602 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0034602 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0034602 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0034602 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0034602 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0034602 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0034602 k( 55) = ( 0.3030303 0.5000000 0.0000000), wk = 0.0034602 k( 56) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0034602 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0034602 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0034602 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0034602 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0034602 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0034602 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0034602 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0034602 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0034602 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0034602 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0034602 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0034602 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034602 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034602 k( 70) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0034602 k( 71) = ( 0.4787234 0.4787234 0.0000000), wk = 0.0034602 k( 72) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0034602 k( 73) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0034602 k( 74) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0034602 k( 75) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0034602 k( 76) = ( 0.4255319 0.4255319 0.0000000), wk = 0.0034602 k( 77) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0034602 k( 78) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0034602 k( 79) = ( 0.3936170 0.3936170 0.0000000), wk = 0.0034602 k( 80) = ( 0.3829787 0.3829787 0.0000000), wk = 0.0034602 k( 81) = ( 0.3723404 0.3723404 0.0000000), wk = 0.0034602 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0034602 k( 83) = ( 0.3510638 0.3510638 0.0000000), wk = 0.0034602 k( 84) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0034602 k( 85) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0034602 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0034602 k( 87) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0034602 k( 88) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0034602 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0034602 k( 90) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0034602 k( 91) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0034602 k( 92) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0034602 k( 93) = ( 0.2446809 0.2446809 -0.0000000), wk = 0.0034602 k( 94) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0034602 k( 95) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0034602 k( 96) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0034602 k( 97) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0034602 k( 98) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0034602 k( 99) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0034602 k( 100) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0034602 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0034602 k( 102) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0034602 k( 103) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0034602 k( 104) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0034602 k( 105) = ( 0.1170213 0.1170213 0.0000000), wk = 0.0034602 k( 106) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0034602 k( 107) = ( 0.0957447 0.0957447 0.0000000), wk = 0.0034602 k( 108) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0034602 k( 109) = ( 0.0744681 0.0744681 0.0000000), wk = 0.0034602 k( 110) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0034602 k( 111) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0034602 k( 112) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0034602 k( 113) = ( 0.0319149 0.0319149 0.0000000), wk = 0.0034602 k( 114) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0034602 k( 115) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0034602 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 118) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0034602 k( 119) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0034602 k( 120) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0034602 k( 121) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0034602 k( 122) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0034602 k( 123) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034602 k( 124) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0034602 k( 125) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0034602 k( 126) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034602 k( 127) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0034602 k( 128) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0034602 k( 129) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034602 k( 130) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0034602 k( 131) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0034602 k( 132) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0034602 k( 133) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0034602 k( 134) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0034602 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034602 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034602 k( 137) = ( 0.0000000 0.0151515 0.5000000), wk = 0.0034602 k( 138) = ( 0.0000000 0.0303030 0.5000000), wk = 0.0034602 k( 139) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0034602 k( 140) = ( 0.0000000 0.0606061 0.5000000), wk = 0.0034602 k( 141) = ( 0.0000000 0.0757576 0.5000000), wk = 0.0034602 k( 142) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0034602 k( 143) = ( 0.0000000 0.1060606 0.5000000), wk = 0.0034602 k( 144) = ( 0.0000000 0.1212121 0.5000000), wk = 0.0034602 k( 145) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0034602 k( 146) = ( 0.0000000 0.1515151 0.5000000), wk = 0.0034602 k( 147) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0034602 k( 148) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0034602 k( 149) = ( 0.0000000 0.1969697 0.5000000), wk = 0.0034602 k( 150) = ( 0.0000000 0.2121212 0.5000000), wk = 0.0034602 k( 151) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0034602 k( 152) = ( 0.0000000 0.2424242 0.5000000), wk = 0.0034602 k( 153) = ( 0.0000000 0.2575758 0.5000000), wk = 0.0034602 k( 154) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0034602 k( 155) = ( 0.0000000 0.2878788 0.5000000), wk = 0.0034602 k( 156) = ( 0.0000000 0.3030303 0.5000000), wk = 0.0034602 k( 157) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0034602 k( 158) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0034602 k( 159) = ( 0.0000000 0.3484849 0.5000000), wk = 0.0034602 k( 160) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0034602 k( 161) = ( 0.0000000 0.3787879 0.5000000), wk = 0.0034602 k( 162) = ( 0.0000000 0.3939394 0.5000000), wk = 0.0034602 k( 163) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0034602 k( 164) = ( 0.0000000 0.4242424 0.5000000), wk = 0.0034602 k( 165) = ( 0.0000000 0.4393939 0.5000000), wk = 0.0034602 k( 166) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0034602 k( 167) = ( 0.0000000 0.4696970 0.5000000), wk = 0.0034602 k( 168) = ( 0.0000000 0.4848485 0.5000000), wk = 0.0034602 k( 169) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034602 k( 170) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034602 k( 171) = ( 0.0151515 0.5000000 0.5000000), wk = 0.0034602 k( 172) = ( 0.0303030 0.5000000 0.5000000), wk = 0.0034602 k( 173) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0034602 k( 174) = ( 0.0606061 0.5000000 0.5000000), wk = 0.0034602 k( 175) = ( 0.0757576 0.5000000 0.5000000), wk = 0.0034602 k( 176) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0034602 k( 177) = ( 0.1060606 0.5000000 0.5000000), wk = 0.0034602 k( 178) = ( 0.1212121 0.5000000 0.5000000), wk = 0.0034602 k( 179) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0034602 k( 180) = ( 0.1515151 0.5000000 0.5000000), wk = 0.0034602 k( 181) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0034602 k( 182) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0034602 k( 183) = ( 0.1969697 0.5000000 0.5000000), wk = 0.0034602 k( 184) = ( 0.2121212 0.5000000 0.5000000), wk = 0.0034602 k( 185) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0034602 k( 186) = ( 0.2424242 0.5000000 0.5000000), wk = 0.0034602 k( 187) = ( 0.2575758 0.5000000 0.5000000), wk = 0.0034602 k( 188) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0034602 k( 189) = ( 0.2878788 0.5000000 0.5000000), wk = 0.0034602 k( 190) = ( 0.3030303 0.5000000 0.5000000), wk = 0.0034602 k( 191) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0034602 k( 192) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0034602 k( 193) = ( 0.3484849 0.5000000 0.5000000), wk = 0.0034602 k( 194) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0034602 k( 195) = ( 0.3787879 0.5000000 0.5000000), wk = 0.0034602 k( 196) = ( 0.3939394 0.5000000 0.5000000), wk = 0.0034602 k( 197) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0034602 k( 198) = ( 0.4242424 0.5000000 0.5000000), wk = 0.0034602 k( 199) = ( 0.4393939 0.5000000 0.5000000), wk = 0.0034602 k( 200) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0034602 k( 201) = ( 0.4696970 0.5000000 0.5000000), wk = 0.0034602 k( 202) = ( 0.4848485 0.5000000 0.5000000), wk = 0.0034602 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 k( 204) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 k( 205) = ( 0.4893617 0.4893617 0.5000000), wk = 0.0034602 k( 206) = ( 0.4787234 0.4787234 0.5000000), wk = 0.0034602 k( 207) = ( 0.4680851 0.4680851 0.5000000), wk = 0.0034602 k( 208) = ( 0.4574468 0.4574468 0.5000000), wk = 0.0034602 k( 209) = ( 0.4468085 0.4468085 0.5000000), wk = 0.0034602 k( 210) = ( 0.4361702 0.4361702 0.5000000), wk = 0.0034602 k( 211) = ( 0.4255319 0.4255319 0.5000000), wk = 0.0034602 k( 212) = ( 0.4148936 0.4148936 0.5000000), wk = 0.0034602 k( 213) = ( 0.4042553 0.4042553 0.5000000), wk = 0.0034602 k( 214) = ( 0.3936170 0.3936170 0.5000000), wk = 0.0034602 k( 215) = ( 0.3829787 0.3829787 0.5000000), wk = 0.0034602 k( 216) = ( 0.3723404 0.3723404 0.5000000), wk = 0.0034602 k( 217) = ( 0.3617021 0.3617021 0.5000000), wk = 0.0034602 k( 218) = ( 0.3510638 0.3510638 0.5000000), wk = 0.0034602 k( 219) = ( 0.3404255 0.3404255 0.5000000), wk = 0.0034602 k( 220) = ( 0.3297872 0.3297872 0.5000000), wk = 0.0034602 k( 221) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0034602 k( 222) = ( 0.3085106 0.3085106 0.5000000), wk = 0.0034602 k( 223) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0034602 k( 224) = ( 0.2872340 0.2872340 0.5000000), wk = 0.0034602 k( 225) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0034602 k( 226) = ( 0.2659574 0.2659574 0.5000000), wk = 0.0034602 k( 227) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0034602 k( 228) = ( 0.2446809 0.2446809 0.5000000), wk = 0.0034602 k( 229) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0034602 k( 230) = ( 0.2234043 0.2234043 0.5000000), wk = 0.0034602 k( 231) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0034602 k( 232) = ( 0.2021277 0.2021277 0.5000000), wk = 0.0034602 k( 233) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0034602 k( 234) = ( 0.1808511 0.1808511 0.5000000), wk = 0.0034602 k( 235) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0034602 k( 236) = ( 0.1595745 0.1595745 0.5000000), wk = 0.0034602 k( 237) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0034602 k( 238) = ( 0.1382979 0.1382979 0.5000000), wk = 0.0034602 k( 239) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0034602 k( 240) = ( 0.1170213 0.1170213 0.5000000), wk = 0.0034602 k( 241) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0034602 k( 242) = ( 0.0957447 0.0957447 0.5000000), wk = 0.0034602 k( 243) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0034602 k( 244) = ( 0.0744681 0.0744681 0.5000000), wk = 0.0034602 k( 245) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0034602 k( 246) = ( 0.0531915 0.0531915 0.5000000), wk = 0.0034602 k( 247) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0034602 k( 248) = ( 0.0319149 0.0319149 0.5000000), wk = 0.0034602 k( 249) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0034602 k( 250) = ( 0.0106383 0.0106383 0.5000000), wk = 0.0034602 k( 251) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034602 k( 252) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034602 k( 253) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0034602 k( 254) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0034602 k( 255) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0034602 k( 256) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0034602 k( 257) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0034602 k( 258) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0034602 k( 259) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0034602 k( 260) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0034602 k( 261) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0034602 k( 262) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0034602 k( 263) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0034602 k( 264) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0034602 k( 265) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0034602 k( 266) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0034602 k( 267) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0034602 k( 268) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0034602 k( 269) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0034602 k( 270) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034602 k( 271) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034602 k( 272) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0034602 k( 273) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0034602 k( 274) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0034602 k( 275) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0034602 k( 276) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0034602 k( 277) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0034602 k( 278) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0034602 k( 279) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0034602 k( 280) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034602 k( 281) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0034602 k( 282) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0034602 k( 283) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0034602 k( 284) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0034602 k( 285) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0034602 k( 286) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0034602 k( 287) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0034602 k( 288) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0034602 k( 289) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034602 Dense grid: 132475 G-vectors FFT dimensions: ( 54, 54, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.50 Mb ( 468, 70) NL pseudopotentials 0.93 Mb ( 234, 260) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1843) G-vector shells 0.01 Mb ( 936) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.00 Mb ( 468, 280) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.56 Mb ( 260, 2, 70) The potential is recalculated from file : ./CsMnSb.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 6.2 secs Computing kpt #: 3 total cpu time spent up to now is 8.2 secs Computing kpt #: 4 total cpu time spent up to now is 10.2 secs Computing kpt #: 5 total cpu time spent up to now is 12.2 secs Computing kpt #: 6 total cpu time spent up to now is 14.1 secs Computing kpt #: 7 total cpu time spent up to now is 16.1 secs Computing kpt #: 8 total cpu time spent up to now is 18.1 secs Computing kpt #: 9 total cpu time spent up to now is 20.0 secs Computing kpt #: 10 total cpu time spent up to now is 22.0 secs Computing kpt #: 11 total cpu time spent up to now is 24.0 secs Computing kpt #: 12 total cpu time spent up to now is 26.1 secs Computing kpt #: 13 total cpu time spent up to now is 28.1 secs Computing kpt #: 14 total cpu time spent up to now is 30.1 secs Computing kpt #: 15 total cpu time spent up to now is 32.1 secs Computing kpt #: 16 total cpu time spent up to now is 34.2 secs Computing kpt #: 17 total cpu time spent up to now is 36.3 secs Computing kpt #: 18 total cpu time spent up to now is 38.3 secs Computing kpt #: 19 total cpu time spent up to now is 40.2 secs Computing kpt #: 20 total cpu time spent up to now is 42.2 secs Computing kpt #: 21 total cpu time spent up to now is 44.2 secs Computing kpt #: 22 total cpu time spent up to now is 46.1 secs Computing kpt #: 23 total cpu time spent up to now is 47.9 secs Computing kpt #: 24 total cpu time spent up to now is 49.5 secs Computing kpt #: 25 total cpu time spent up to now is 51.3 secs Computing kpt #: 26 total cpu time spent up to now is 53.0 secs Computing kpt #: 27 total cpu time spent up to now is 54.8 secs Computing kpt #: 28 total cpu time spent up to now is 56.6 secs Computing kpt #: 29 total cpu time spent up to now is 58.5 secs Computing kpt #: 30 total cpu time spent up to now is 60.3 secs Computing kpt #: 31 total cpu time spent up to now is 62.2 secs Computing kpt #: 32 total cpu time spent up to now is 64.1 secs Computing kpt #: 33 total cpu time spent up to now is 66.2 secs Computing kpt #: 34 total cpu time spent up to now is 68.0 secs Computing kpt #: 35 total cpu time spent up to now is 69.8 secs Computing kpt #: 36 total cpu time spent up to now is 73.2 secs Computing kpt #: 37 total cpu time spent up to now is 75.1 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 79.7 secs Computing kpt #: 39 total cpu time spent up to now is 82.4 secs Computing kpt #: 40 total cpu time spent up to now is 83.9 secs Computing kpt #: 41 total cpu time spent up to now is 85.8 secs Computing kpt #: 42 total cpu time spent up to now is 88.5 secs Computing kpt #: 43 total cpu time spent up to now is 90.9 secs Computing kpt #: 44 total cpu time spent up to now is 92.6 secs Computing kpt #: 45 total cpu time spent up to now is 95.1 secs Computing kpt #: 46 total cpu time spent up to now is 96.9 secs Computing kpt #: 47 total cpu time spent up to now is 98.8 secs Computing kpt #: 48 total cpu time spent up to now is 100.9 secs Computing kpt #: 49 total cpu time spent up to now is 103.1 secs Computing kpt #: 50 total cpu time spent up to now is 105.3 secs Computing kpt #: 51 total cpu time spent up to now is 107.7 secs Computing kpt #: 52 total cpu time spent up to now is 110.1 secs Computing kpt #: 53 total cpu time spent up to now is 112.5 secs Computing kpt #: 54 total cpu time spent up to now is 115.1 secs Computing kpt #: 55 total cpu time spent up to now is 117.0 secs Computing kpt #: 56 total cpu time spent up to now is 119.4 secs Computing kpt #: 57 total cpu time spent up to now is 121.8 secs Computing kpt #: 58 total cpu time spent up to now is 124.2 secs Computing kpt #: 59 total cpu time spent up to now is 126.6 secs Computing kpt #: 60 total cpu time spent up to now is 128.5 secs Computing kpt #: 61 total cpu time spent up to now is 130.5 secs Computing kpt #: 62 total cpu time spent up to now is 132.4 secs Computing kpt #: 63 total cpu time spent up to now is 134.3 secs Computing kpt #: 64 total cpu time spent up to now is 136.4 secs Computing kpt #: 65 total cpu time spent up to now is 138.4 secs Computing kpt #: 66 total cpu time spent up to now is 140.4 secs Computing kpt #: 67 total cpu time spent up to now is 142.5 secs Computing kpt #: 68 total cpu time spent up to now is 144.1 secs Computing kpt #: 69 total cpu time spent up to now is 145.7 secs Computing kpt #: 70 total cpu time spent up to now is 147.7 secs Computing kpt #: 71 total cpu time spent up to now is 149.7 secs Computing kpt #: 72 total cpu time spent up to now is 151.7 secs Computing kpt #: 73 total cpu time spent up to now is 153.7 secs Computing kpt #: 74 total cpu time spent up to now is 155.6 secs Computing kpt #: 75 total cpu time spent up to now is 157.4 secs Computing kpt #: 76 total cpu time spent up to now is 159.3 secs Computing kpt #: 77 total cpu time spent up to now is 161.1 secs Computing kpt #: 78 total cpu time spent up to now is 162.9 secs Computing kpt #: 79 total cpu time spent up to now is 164.9 secs Computing kpt #: 80 total cpu time spent up to now is 166.9 secs Computing kpt #: 81 total cpu time spent up to now is 168.7 secs Computing kpt #: 82 total cpu time spent up to now is 171.1 secs Computing kpt #: 83 total cpu time spent up to now is 173.0 secs Computing kpt #: 84 total cpu time spent up to now is 174.9 secs Computing kpt #: 85 total cpu time spent up to now is 176.8 secs Computing kpt #: 86 total cpu time spent up to now is 178.8 secs Computing kpt #: 87 total cpu time spent up to now is 180.9 secs Computing kpt #: 88 total cpu time spent up to now is 183.1 secs Computing kpt #: 89 total cpu time spent up to now is 185.3 secs Computing kpt #: 90 total cpu time spent up to now is 187.6 secs Computing kpt #: 91 total cpu time spent up to now is 190.2 secs Computing kpt #: 92 total cpu time spent up to now is 192.7 secs Computing kpt #: 93 total cpu time spent up to now is 195.1 secs Computing kpt #: 94 total cpu time spent up to now is 197.3 secs Computing kpt #: 95 total cpu time spent up to now is 199.4 secs Computing kpt #: 96 total cpu time spent up to now is 201.5 secs Computing kpt #: 97 total cpu time spent up to now is 203.7 secs Computing kpt #: 98 total cpu time spent up to now is 206.0 secs Computing kpt #: 99 total cpu time spent up to now is 208.1 secs Computing kpt #: 100 total cpu time spent up to now is 210.4 secs Computing kpt #: 101 total cpu time spent up to now is 212.5 secs Computing kpt #: 102 total cpu time spent up to now is 214.5 secs Computing kpt #: 103 total cpu time spent up to now is 216.6 secs Computing kpt #: 104 total cpu time spent up to now is 218.5 secs Computing kpt #: 105 total cpu time spent up to now is 220.4 secs Computing kpt #: 106 total cpu time spent up to now is 222.4 secs Computing kpt #: 107 total cpu time spent up to now is 224.4 secs Computing kpt #: 108 total cpu time spent up to now is 226.4 secs Computing kpt #: 109 total cpu time spent up to now is 228.4 secs Computing kpt #: 110 total cpu time spent up to now is 230.5 secs Computing kpt #: 111 total cpu time spent up to now is 232.4 secs Computing kpt #: 112 total cpu time spent up to now is 234.4 secs Computing kpt #: 113 total cpu time spent up to now is 236.6 secs Computing kpt #: 114 total cpu time spent up to now is 238.6 secs Computing kpt #: 115 total cpu time spent up to now is 240.8 secs Computing kpt #: 116 total cpu time spent up to now is 242.7 secs Computing kpt #: 117 total cpu time spent up to now is 244.7 secs Computing kpt #: 118 total cpu time spent up to now is 246.7 secs Computing kpt #: 119 total cpu time spent up to now is 248.7 secs Computing kpt #: 120 total cpu time spent up to now is 250.8 secs Computing kpt #: 121 total cpu time spent up to now is 253.0 secs Computing kpt #: 122 total cpu time spent up to now is 255.1 secs Computing kpt #: 123 total cpu time spent up to now is 257.3 secs Computing kpt #: 124 total cpu time spent up to now is 259.5 secs Computing kpt #: 125 total cpu time spent up to now is 261.7 secs Computing kpt #: 126 total cpu time spent up to now is 264.3 secs Computing kpt #: 127 total cpu time spent up to now is 266.1 secs Computing kpt #: 128 total cpu time spent up to now is 268.0 secs Computing kpt #: 129 total cpu time spent up to now is 269.8 secs Computing kpt #: 130 total cpu time spent up to now is 271.4 secs Computing kpt #: 131 total cpu time spent up to now is 273.2 secs Computing kpt #: 132 total cpu time spent up to now is 275.2 secs Computing kpt #: 133 total cpu time spent up to now is 277.1 secs Computing kpt #: 134 total cpu time spent up to now is 279.0 secs Computing kpt #: 135 total cpu time spent up to now is 280.8 secs Computing kpt #: 136 total cpu time spent up to now is 282.4 secs Computing kpt #: 137 total cpu time spent up to now is 284.2 secs Computing kpt #: 138 total cpu time spent up to now is 286.1 secs Computing kpt #: 139 total cpu time spent up to now is 288.3 secs Computing kpt #: 140 total cpu time spent up to now is 290.6 secs Computing kpt #: 141 total cpu time spent up to now is 292.7 secs Computing kpt #: 142 total cpu time spent up to now is 294.9 secs Computing kpt #: 143 total cpu time spent up to now is 297.0 secs Computing kpt #: 144 total cpu time spent up to now is 299.1 secs Computing kpt #: 145 total cpu time spent up to now is 301.2 secs Computing kpt #: 146 total cpu time spent up to now is 303.3 secs Computing kpt #: 147 total cpu time spent up to now is 305.4 secs Computing kpt #: 148 total cpu time spent up to now is 307.4 secs Computing kpt #: 149 total cpu time spent up to now is 309.5 secs Computing kpt #: 150 total cpu time spent up to now is 311.8 secs Computing kpt #: 151 total cpu time spent up to now is 313.9 secs Computing kpt #: 152 total cpu time spent up to now is 316.4 secs Computing kpt #: 153 total cpu time spent up to now is 318.3 secs Computing kpt #: 154 total cpu time spent up to now is 319.9 secs Computing kpt #: 155 total cpu time spent up to now is 321.5 secs Computing kpt #: 156 total cpu time spent up to now is 323.1 secs Computing kpt #: 157 total cpu time spent up to now is 324.6 secs Computing kpt #: 158 total cpu time spent up to now is 326.2 secs Computing kpt #: 159 total cpu time spent up to now is 327.8 secs Computing kpt #: 160 total cpu time spent up to now is 329.4 secs Computing kpt #: 161 total cpu time spent up to now is 331.0 secs Computing kpt #: 162 total cpu time spent up to now is 332.6 secs Computing kpt #: 163 total cpu time spent up to now is 334.2 secs Computing kpt #: 164 total cpu time spent up to now is 335.7 secs Computing kpt #: 165 total cpu time spent up to now is 337.5 secs Computing kpt #: 166 total cpu time spent up to now is 339.1 secs Computing kpt #: 167 total cpu time spent up to now is 340.8 secs Computing kpt #: 168 total cpu time spent up to now is 343.0 secs Computing kpt #: 169 total cpu time spent up to now is 344.5 secs Computing kpt #: 170 total cpu time spent up to now is 346.2 secs Computing kpt #: 171 total cpu time spent up to now is 348.0 secs Computing kpt #: 172 total cpu time spent up to now is 350.4 secs Computing kpt #: 173 total cpu time spent up to now is 352.7 secs Computing kpt #: 174 total cpu time spent up to now is 355.2 secs Computing kpt #: 175 total cpu time spent up to now is 357.7 secs Computing kpt #: 176 total cpu time spent up to now is 360.1 secs Computing kpt #: 177 total cpu time spent up to now is 362.7 secs Computing kpt #: 178 total cpu time spent up to now is 364.8 secs Computing kpt #: 179 total cpu time spent up to now is 367.2 secs Computing kpt #: 180 total cpu time spent up to now is 369.6 secs Computing kpt #: 181 total cpu time spent up to now is 371.8 secs Computing kpt #: 182 total cpu time spent up to now is 374.0 secs Computing kpt #: 183 total cpu time spent up to now is 376.2 secs Computing kpt #: 184 total cpu time spent up to now is 378.4 secs Computing kpt #: 185 total cpu time spent up to now is 380.6 secs Computing kpt #: 186 total cpu time spent up to now is 383.0 secs Computing kpt #: 187 total cpu time spent up to now is 385.1 secs Computing kpt #: 188 total cpu time spent up to now is 387.4 secs Computing kpt #: 189 total cpu time spent up to now is 389.6 secs Computing kpt #: 190 total cpu time spent up to now is 391.5 secs Computing kpt #: 191 total cpu time spent up to now is 393.9 secs Computing kpt #: 192 total cpu time spent up to now is 395.8 secs Computing kpt #: 193 total cpu time spent up to now is 397.6 secs Computing kpt #: 194 total cpu time spent up to now is 399.6 secs Computing kpt #: 195 total cpu time spent up to now is 401.6 secs Computing kpt #: 196 total cpu time spent up to now is 403.5 secs Computing kpt #: 197 total cpu time spent up to now is 405.4 secs Computing kpt #: 198 total cpu time spent up to now is 407.4 secs Computing kpt #: 199 total cpu time spent up to now is 409.3 secs Computing kpt #: 200 total cpu time spent up to now is 411.2 secs Computing kpt #: 201 total cpu time spent up to now is 413.2 secs Computing kpt #: 202 total cpu time spent up to now is 415.1 secs Computing kpt #: 203 total cpu time spent up to now is 416.6 secs Computing kpt #: 204 total cpu time spent up to now is 418.2 secs Computing kpt #: 205 total cpu time spent up to now is 420.1 secs Computing kpt #: 206 total cpu time spent up to now is 422.1 secs Computing kpt #: 207 total cpu time spent up to now is 424.0 secs Computing kpt #: 208 total cpu time spent up to now is 425.8 secs Computing kpt #: 209 total cpu time spent up to now is 427.7 secs Computing kpt #: 210 total cpu time spent up to now is 429.3 secs Computing kpt #: 211 total cpu time spent up to now is 431.3 secs Computing kpt #: 212 total cpu time spent up to now is 433.0 secs Computing kpt #: 213 total cpu time spent up to now is 435.4 secs Computing kpt #: 214 total cpu time spent up to now is 437.7 secs Computing kpt #: 215 total cpu time spent up to now is 439.7 secs Computing kpt #: 216 total cpu time spent up to now is 442.1 secs Computing kpt #: 217 total cpu time spent up to now is 444.3 secs Computing kpt #: 218 total cpu time spent up to now is 446.3 secs Computing kpt #: 219 total cpu time spent up to now is 448.4 secs Computing kpt #: 220 total cpu time spent up to now is 450.7 secs Computing kpt #: 221 total cpu time spent up to now is 453.2 secs Computing kpt #: 222 total cpu time spent up to now is 455.2 secs Computing kpt #: 223 total cpu time spent up to now is 457.1 secs Computing kpt #: 224 total cpu time spent up to now is 459.0 secs Computing kpt #: 225 total cpu time spent up to now is 461.1 secs Computing kpt #: 226 total cpu time spent up to now is 463.0 secs Computing kpt #: 227 total cpu time spent up to now is 464.9 secs Computing kpt #: 228 total cpu time spent up to now is 467.0 secs Computing kpt #: 229 total cpu time spent up to now is 469.2 secs Computing kpt #: 230 total cpu time spent up to now is 471.4 secs Computing kpt #: 231 total cpu time spent up to now is 473.6 secs Computing kpt #: 232 total cpu time spent up to now is 475.6 secs Computing kpt #: 233 total cpu time spent up to now is 477.7 secs Computing kpt #: 234 total cpu time spent up to now is 479.7 secs Computing kpt #: 235 total cpu time spent up to now is 481.8 secs Computing kpt #: 236 total cpu time spent up to now is 483.9 secs Computing kpt #: 237 total cpu time spent up to now is 485.9 secs Computing kpt #: 238 total cpu time spent up to now is 487.9 secs Computing kpt #: 239 total cpu time spent up to now is 489.9 secs Computing kpt #: 240 total cpu time spent up to now is 492.0 secs Computing kpt #: 241 total cpu time spent up to now is 494.1 secs Computing kpt #: 242 total cpu time spent up to now is 496.2 secs Computing kpt #: 243 total cpu time spent up to now is 498.2 secs Computing kpt #: 244 total cpu time spent up to now is 500.4 secs Computing kpt #: 245 total cpu time spent up to now is 502.7 secs Computing kpt #: 246 total cpu time spent up to now is 505.0 secs Computing kpt #: 247 total cpu time spent up to now is 507.1 secs Computing kpt #: 248 total cpu time spent up to now is 509.2 secs Computing kpt #: 249 total cpu time spent up to now is 511.3 secs Computing kpt #: 250 total cpu time spent up to now is 512.9 secs Computing kpt #: 251 total cpu time spent up to now is 514.6 secs Computing kpt #: 252 total cpu time spent up to now is 516.4 secs Computing kpt #: 253 total cpu time spent up to now is 518.2 secs Computing kpt #: 254 total cpu time spent up to now is 520.0 secs Computing kpt #: 255 total cpu time spent up to now is 521.8 secs Computing kpt #: 256 total cpu time spent up to now is 523.7 secs Computing kpt #: 257 total cpu time spent up to now is 525.5 secs Computing kpt #: 258 total cpu time spent up to now is 527.3 secs Computing kpt #: 259 total cpu time spent up to now is 529.3 secs Computing kpt #: 260 total cpu time spent up to now is 530.9 secs Computing kpt #: 261 total cpu time spent up to now is 532.8 secs Computing kpt #: 262 total cpu time spent up to now is 534.4 secs Computing kpt #: 263 total cpu time spent up to now is 536.0 secs Computing kpt #: 264 total cpu time spent up to now is 537.6 secs Computing kpt #: 265 total cpu time spent up to now is 539.2 secs Computing kpt #: 266 total cpu time spent up to now is 540.8 secs Computing kpt #: 267 total cpu time spent up to now is 542.4 secs Computing kpt #: 268 total cpu time spent up to now is 544.1 secs Computing kpt #: 269 total cpu time spent up to now is 545.7 secs Computing kpt #: 270 total cpu time spent up to now is 547.3 secs Computing kpt #: 271 total cpu time spent up to now is 548.9 secs Computing kpt #: 272 total cpu time spent up to now is 550.6 secs Computing kpt #: 273 total cpu time spent up to now is 552.2 secs Computing kpt #: 274 total cpu time spent up to now is 553.9 secs Computing kpt #: 275 total cpu time spent up to now is 555.5 secs Computing kpt #: 276 total cpu time spent up to now is 557.2 secs Computing kpt #: 277 total cpu time spent up to now is 558.9 secs Computing kpt #: 278 total cpu time spent up to now is 560.5 secs Computing kpt #: 279 total cpu time spent up to now is 562.2 secs Computing kpt #: 280 total cpu time spent up to now is 563.8 secs Computing kpt #: 281 total cpu time spent up to now is 565.3 secs Computing kpt #: 282 total cpu time spent up to now is 566.9 secs Computing kpt #: 283 total cpu time spent up to now is 568.5 secs Computing kpt #: 284 total cpu time spent up to now is 570.0 secs Computing kpt #: 285 total cpu time spent up to now is 571.6 secs Computing kpt #: 286 total cpu time spent up to now is 573.2 secs Computing kpt #: 287 total cpu time spent up to now is 574.7 secs Computing kpt #: 288 total cpu time spent up to now is 576.2 secs Computing kpt #: 289 total cpu time spent up to now is 577.8 secs ethr = 1.72E-08, avg # of iterations = 28.0 total cpu time spent up to now is 577.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 16547 PWs) bands (ev): -71.1001 -71.1001 -71.0981 -71.0981 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6052 -39.6052 -39.6035 -39.6035 -14.3266 -14.3266 -14.1894 -14.1894 -3.2407 -3.2407 -2.9527 -2.9527 -2.2967 -2.2967 -1.9122 -1.9122 -1.7562 -1.7562 -1.5265 -1.5265 -1.3685 -1.3685 -0.7582 -0.7582 4.0022 4.0022 4.9860 4.9860 5.3535 5.3535 5.4819 5.4819 5.5497 5.5497 5.8433 5.8433 6.1798 6.1798 6.7461 6.7461 7.1516 7.1516 7.2953 7.2953 7.3493 7.3493 7.4014 7.4014 7.4678 7.4678 7.6627 7.6627 8.4651 8.4651 8.5794 8.5794 8.7494 8.7494 k = 0.0000 0.0152-0.0000 ( 16533 PWs) bands (ev): -71.0997 -71.0997 -71.0976 -71.0976 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6052 -39.6052 -39.6035 -39.6035 -14.3265 -14.3265 -14.1895 -14.1895 -3.2408 -3.2408 -2.9530 -2.9530 -2.2973 -2.2973 -1.9139 -1.9139 -1.7531 -1.7531 -1.5308 -1.5308 -1.3642 -1.3642 -0.7584 -0.7584 4.0036 4.0036 4.9861 4.9861 5.3533 5.3533 5.4816 5.4816 5.5480 5.5480 5.8411 5.8411 6.1812 6.1812 6.7491 6.7491 7.1494 7.1494 7.2960 7.2960 7.3430 7.3430 7.4083 7.4083 7.4699 7.4699 7.6657 7.6657 8.4676 8.4676 8.5656 8.5656 8.7556 8.7556 k = 0.0000 0.0303-0.0000 ( 16521 PWs) bands (ev): -71.0988 -71.0988 -71.0979 -71.0979 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6052 -39.6052 -39.6035 -39.6035 -14.3261 -14.3261 -14.1896 -14.1896 -3.2414 -3.2414 -2.9541 -2.9541 -2.2994 -2.2994 -1.9187 -1.9187 -1.7443 -1.7443 -1.5423 -1.5423 -1.3526 -1.3526 -0.7592 -0.7592 4.0083 4.0083 4.9855 4.9855 5.3496 5.3496 5.4770 5.4770 5.5420 5.5420 5.8337 5.8337 6.1889 6.1889 6.7556 6.7556 7.1495 7.1495 7.2973 7.2973 7.3289 7.3289 7.4165 7.4165 7.4720 7.4720 7.6715 7.6715 8.4731 8.4731 8.5290 8.5290 8.7654 8.7654 k = 0.0000 0.0455-0.0000 ( 16519 PWs) bands (ev): -71.0984 -71.0984 -71.0982 -71.0982 -40.8811 -40.8811 -40.8730 -40.8730 -39.7337 -39.7337 -39.7203 -39.7203 -39.6052 -39.6052 -39.6035 -39.6035 -14.3255 -14.3255 -14.1897 -14.1897 -3.2422 -3.2422 -2.9559 -2.9559 -2.3028 -2.3028 -1.9252 -1.9252 -1.7311 -1.7311 -1.5586 -1.5586 -1.3361 -1.3361 -0.7605 -0.7605 4.0161 4.0161 4.9843 4.9843 5.3431 5.3431 5.4697 5.4697 5.5318 5.5318 5.8221 5.8221 6.1950 6.1950 6.7662 6.7662 7.1474 7.1474 7.2929 7.2929 7.3131 7.3131 7.4211 7.4211 7.4776 7.4776 7.6811 7.6811 8.4691 8.4691 8.4903 8.4903 8.7753 8.7753 k = 0.0000 0.0606-0.0000 ( 16513 PWs) bands (ev): -71.0982 -71.0982 -71.0980 -71.0980 -40.8810 -40.8810 -40.8731 -40.8731 -39.7337 -39.7337 -39.7203 -39.7203 -39.6052 -39.6052 -39.6035 -39.6035 -14.3247 -14.3247 -14.1899 -14.1899 -3.2435 -3.2435 -2.9584 -2.9584 -2.3074 -2.3074 -1.9323 -1.9323 -1.7149 -1.7149 -1.5775 -1.5775 -1.3167 -1.3167 -0.7623 -0.7623 4.0272 4.0272 4.9828 4.9828 5.3347 5.3347 5.4613 5.4613 5.5176 5.5176 5.8070 5.8070 6.2030 6.2030 6.7801 6.7801 7.1471 7.1471 7.2797 7.2797 7.3007 7.3007 7.4161 7.4161 7.4892 7.4892 7.6924 7.6924 8.4135 8.4135 8.5007 8.5007 8.7805 8.7805 k = 0.0000 0.0758-0.0000 ( 16499 PWs) bands (ev): -71.0982 -71.0982 -71.0972 -71.0972 -40.8810 -40.8810 -40.8731 -40.8731 -39.7336 -39.7336 -39.7204 -39.7204 -39.6052 -39.6052 -39.6035 -39.6035 -14.3236 -14.3236 -14.1902 -14.1902 -3.2452 -3.2452 -2.9617 -2.9617 -2.3131 -2.3131 -1.9390 -1.9390 -1.6974 -1.6974 -1.5970 -1.5970 -1.2957 -1.2957 -0.7645 -0.7645 4.0413 4.0413 4.9805 4.9805 5.3226 5.3226 5.4509 5.4509 5.5005 5.5005 5.7903 5.7903 6.2108 6.2108 6.7963 6.7963 7.1456 7.1456 7.2631 7.2631 7.2949 7.2949 7.4064 7.4064 7.5089 7.5089 7.7081 7.7081 8.3493 8.3493 8.5185 8.5185 8.7767 8.7767 k = 0.0000 0.0909-0.0000 ( 16511 PWs) bands (ev): -71.0982 -71.0982 -71.0980 -71.0980 -40.8809 -40.8809 -40.8731 -40.8731 -39.7335 -39.7335 -39.7205 -39.7205 -39.6051 -39.6051 -39.6035 -39.6035 -14.3222 -14.3222 -14.1905 -14.1905 -3.2472 -3.2472 -2.9658 -2.9658 -2.3198 -2.3198 -1.9448 -1.9448 -1.6809 -1.6809 -1.6148 -1.6148 -1.2741 -1.2741 -0.7672 -0.7672 4.0581 4.0581 4.9756 4.9756 5.3066 5.3066 5.4399 5.4399 5.4812 5.4812 5.7722 5.7722 6.2125 6.2125 6.8127 6.8127 7.1406 7.1406 7.2419 7.2419 7.2850 7.2850 7.3926 7.3926 7.5277 7.5277 7.7255 7.7255 8.2841 8.2841 8.5404 8.5404 8.7650 8.7650 k = 0.0000 0.1061-0.0000 ( 16513 PWs) bands (ev): -71.0982 -71.0982 -71.0981 -71.0981 -40.8809 -40.8809 -40.8732 -40.8732 -39.7334 -39.7334 -39.7206 -39.7206 -39.6051 -39.6051 -39.6035 -39.6035 -14.3207 -14.3207 -14.1909 -14.1909 -3.2497 -3.2497 -2.9707 -2.9707 -2.3272 -2.3272 -1.9491 -1.9491 -1.6726 -1.6726 -1.6236 -1.6236 -1.2523 -1.2523 -0.7703 -0.7703 4.0776 4.0776 4.9685 4.9685 5.2866 5.2866 5.4265 5.4265 5.4628 5.4628 5.7538 5.7538 6.2211 6.2211 6.8284 6.8284 7.1367 7.1367 7.2204 7.2204 7.2767 7.2767 7.3756 7.3756 7.5483 7.5483 7.7439 7.7439 8.2203 8.2203 8.5653 8.5653 8.7462 8.7462 k = 0.0000 0.1212-0.0000 ( 16513 PWs) bands (ev): -71.0983 -71.0983 -71.0980 -71.0980 -40.8808 -40.8808 -40.8733 -40.8733 -39.7333 -39.7333 -39.7207 -39.7207 -39.6051 -39.6051 -39.6035 -39.6035 -14.3189 -14.3189 -14.1914 -14.1914 -3.2525 -3.2525 -2.9764 -2.9764 -2.3350 -2.3350 -1.9519 -1.9519 -1.6813 -1.6813 -1.6148 -1.6148 -1.2307 -1.2307 -0.7737 -0.7737 4.0996 4.0996 4.9584 4.9584 5.2620 5.2620 5.4093 5.4093 5.4493 5.4493 5.7357 5.7357 6.2304 6.2304 6.8435 6.8435 7.1326 7.1326 7.2007 7.2007 7.2676 7.2676 7.3568 7.3568 7.5717 7.5717 7.7597 7.7597 8.1584 8.1584 8.5936 8.5936 8.7228 8.7228 k = 0.0000 0.1364-0.0000 ( 16505 PWs) bands (ev): -71.0983 -71.0983 -71.0975 -71.0975 -40.8807 -40.8807 -40.8733 -40.8733 -39.7332 -39.7332 -39.7208 -39.7208 -39.6051 -39.6051 -39.6035 -39.6035 -14.3169 -14.3169 -14.1919 -14.1919 -3.2558 -3.2558 -2.9831 -2.9831 -2.3430 -2.3430 -1.9531 -1.9531 -1.6988 -1.6988 -1.5967 -1.5967 -1.2094 -1.2094 -0.7774 -0.7774 4.1237 4.1237 4.9441 4.9441 5.2325 5.2325 5.3897 5.3897 5.4410 5.4410 5.7186 5.7186 6.2420 6.2420 6.8572 6.8572 7.1282 7.1282 7.1814 7.1814 7.2594 7.2594 7.3394 7.3394 7.5957 7.5957 7.7784 7.7784 8.0992 8.0992 8.6245 8.6245 8.6966 8.6966 k = 0.0000 0.1515-0.0000 ( 16501 PWs) bands (ev): -71.0983 -71.0983 -71.0973 -71.0973 -40.8807 -40.8807 -40.8734 -40.8734 -39.7331 -39.7331 -39.7210 -39.7210 -39.6051 -39.6051 -39.6036 -39.6036 -14.3147 -14.3147 -14.1926 -14.1926 -3.2595 -3.2595 -2.9907 -2.9907 -2.3508 -2.3508 -1.9528 -1.9528 -1.7183 -1.7183 -1.5760 -1.5760 -1.1887 -1.1887 -0.7813 -0.7813 4.1497 4.1497 4.9249 4.9249 5.1988 5.1988 5.3709 5.3709 5.4362 5.4362 5.7022 5.7022 6.2539 6.2539 6.8683 6.8683 7.1227 7.1227 7.1632 7.1632 7.2485 7.2485 7.3214 7.3214 7.6199 7.6199 7.7988 7.7988 8.0435 8.0435 8.6552 8.6552 8.6704 8.6704 k = 0.0000 0.1667-0.0000 ( 16492 PWs) bands (ev): -71.0984 -71.0984 -71.0967 -71.0967 -40.8806 -40.8806 -40.8735 -40.8735 -39.7329 -39.7329 -39.7211 -39.7211 -39.6051 -39.6051 -39.6036 -39.6036 -14.3123 -14.3123 -14.1933 -14.1933 -3.2636 -3.2636 -2.9993 -2.9993 -2.3580 -2.3580 -1.9512 -1.9512 -1.7379 -1.7379 -1.5549 -1.5549 -1.1687 -1.1687 -0.7853 -0.7853 4.1771 4.1771 4.9006 4.9006 5.1617 5.1617 5.3549 5.3549 5.4342 5.4342 5.6863 5.6863 6.2693 6.2693 6.8759 6.8759 7.1179 7.1179 7.1460 7.1460 7.2390 7.2390 7.3025 7.3025 7.6442 7.6442 7.8186 7.8186 7.9914 7.9914 8.6369 8.6369 8.6930 8.6930 k = 0.0000 0.1818-0.0000 ( 16506 PWs) bands (ev): -71.0988 -71.0988 -71.0970 -71.0970 -40.8805 -40.8805 -40.8736 -40.8736 -39.7328 -39.7328 -39.7213 -39.7213 -39.6051 -39.6051 -39.6036 -39.6036 -14.3098 -14.3098 -14.1941 -14.1941 -3.2681 -3.2681 -3.0090 -3.0090 -2.3643 -2.3643 -1.9487 -1.9487 -1.7566 -1.7566 -1.5341 -1.5341 -1.1494 -1.1494 -0.7893 -0.7893 4.2050 4.2050 4.8711 4.8711 5.1226 5.1226 5.3419 5.3419 5.4342 5.4342 5.6707 5.6707 6.2816 6.2816 6.8790 6.8790 7.1094 7.1094 7.1291 7.1291 7.2263 7.2263 7.2810 7.2810 7.6679 7.6679 7.8346 7.8346 7.9430 7.9430 8.6062 8.6062 8.7264 8.7264 k = 0.0000 0.1970-0.0000 ( 16530 PWs) bands (ev): -71.0993 -71.0993 -71.0980 -71.0980 -40.8804 -40.8804 -40.8737 -40.8737 -39.7326 -39.7326 -39.7215 -39.7215 -39.6050 -39.6050 -39.6037 -39.6037 -14.3070 -14.3070 -14.1949 -14.1949 -3.2728 -3.2728 -3.0197 -3.0197 -2.3695 -2.3695 -1.9458 -1.9458 -1.7739 -1.7739 -1.5139 -1.5139 -1.1311 -1.1311 -0.7933 -0.7933 4.2331 4.2331 4.8369 4.8369 5.0834 5.0834 5.3320 5.3320 5.4361 5.4361 5.6553 5.6553 6.2946 6.2946 6.8775 6.8775 7.0990 7.0990 7.1134 7.1134 7.2101 7.2101 7.2578 7.2578 7.6902 7.6902 7.8466 7.8466 7.9015 7.9015 8.5745 8.5745 8.7587 8.7587 k = 0.0000 0.2121-0.0000 ( 16522 PWs) bands (ev): -71.0992 -71.0992 -71.0976 -71.0976 -40.8803 -40.8803 -40.8739 -40.8739 -39.7324 -39.7324 -39.7217 -39.7217 -39.6050 -39.6050 -39.6037 -39.6037 -14.3041 -14.3041 -14.1959 -14.1959 -3.2778 -3.2778 -3.0314 -3.0314 -2.3734 -2.3734 -1.9431 -1.9431 -1.7892 -1.7892 -1.4949 -1.4949 -1.1135 -1.1135 -0.7971 -0.7971 4.2606 4.2606 4.7989 4.7989 5.0463 5.0463 5.3252 5.3252 5.4405 5.4405 5.6411 5.6411 6.3111 6.3111 6.8758 6.8758 7.0871 7.0871 7.1040 7.1040 7.1981 7.1981 7.2373 7.2373 7.7140 7.7140 7.8399 7.8399 7.8873 7.8873 8.5436 8.5436 8.7879 8.7879 k = 0.0000 0.2273-0.0000 ( 16518 PWs) bands (ev): -71.0993 -71.0993 -71.0972 -71.0972 -40.8802 -40.8802 -40.8740 -40.8740 -39.7322 -39.7322 -39.7219 -39.7219 -39.6050 -39.6050 -39.6037 -39.6037 -14.3011 -14.3011 -14.1970 -14.1970 -3.2829 -3.2829 -3.0441 -3.0441 -2.3757 -2.3757 -1.9414 -1.9414 -1.8015 -1.8015 -1.4772 -1.4772 -1.0969 -1.0969 -0.8006 -0.8006 4.2864 4.2864 4.7575 4.7575 5.0126 5.0126 5.3199 5.3199 5.4463 5.4463 5.6274 5.6274 6.3254 6.3254 6.8730 6.8730 7.0729 7.0729 7.0970 7.0970 7.1853 7.1853 7.2163 7.2163 7.7364 7.7364 7.8095 7.8095 7.9011 7.9011 8.5126 8.5126 8.8123 8.8123 k = 0.0000 0.2424-0.0000 ( 16534 PWs) bands (ev): -71.0993 -71.0993 -71.0982 -71.0982 -40.8800 -40.8800 -40.8741 -40.8741 -39.7320 -39.7320 -39.7221 -39.7221 -39.6050 -39.6050 -39.6037 -39.6037 -14.2979 -14.2979 -14.1982 -14.1982 -3.2881 -3.2881 -3.0577 -3.0577 -2.3764 -2.3764 -1.9421 -1.9421 -1.8099 -1.8099 -1.4612 -1.4612 -1.0811 -1.0811 -0.8038 -0.8038 4.3087 4.3087 4.7136 4.7136 4.9840 4.9840 5.3159 5.3159 5.4537 5.4537 5.6135 5.6135 6.3385 6.3385 6.8673 6.8673 7.0563 7.0563 7.0894 7.0894 7.1665 7.1665 7.1919 7.1919 7.7489 7.7489 7.7836 7.7836 7.9182 7.9182 8.4820 8.4820 8.8312 8.8312 k = 0.0000 0.2576-0.0000 ( 16524 PWs) bands (ev): -71.0990 -71.0990 -71.0979 -71.0979 -40.8799 -40.8799 -40.8743 -40.8743 -39.7318 -39.7318 -39.7224 -39.7224 -39.6050 -39.6050 -39.6038 -39.6038 -14.2946 -14.2946 -14.1995 -14.1995 -3.2933 -3.2933 -3.0721 -3.0721 -2.3753 -2.3753 -1.9459 -1.9459 -1.8134 -1.8134 -1.4472 -1.4472 -1.0659 -1.0659 -0.8066 -0.8066 4.3266 4.3266 4.6683 4.6683 4.9626 4.9626 5.3131 5.3131 5.4623 5.4623 5.6013 5.6013 6.3571 6.3571 6.8606 6.8606 7.0401 7.0401 7.0836 7.0836 7.1534 7.1534 7.1704 7.1704 7.7326 7.7326 7.7862 7.7862 7.9387 7.9387 8.4527 8.4527 8.8447 8.8447 k = 0.0000 0.2727-0.0000 ( 16532 PWs) bands (ev): -71.0990 -71.0990 -71.0984 -71.0984 -40.8797 -40.8797 -40.8744 -40.8744 -39.7316 -39.7316 -39.7226 -39.7226 -39.6049 -39.6049 -39.6038 -39.6038 -14.2912 -14.2912 -14.2009 -14.2009 -3.2984 -3.2984 -3.0872 -3.0872 -2.3726 -2.3726 -1.9532 -1.9532 -1.8119 -1.8119 -1.4354 -1.4354 -1.0515 -1.0515 -0.8090 -0.8090 4.3386 4.3386 4.6221 4.6221 4.9498 4.9498 5.3109 5.3109 5.4711 5.4711 5.5901 5.5901 6.3757 6.3757 6.8493 6.8493 7.0225 7.0225 7.0767 7.0767 7.1371 7.1371 7.1461 7.1461 7.7053 7.7053 7.7965 7.7965 7.9566 7.9566 8.4243 8.4243 8.8533 8.8533 k = 0.0000 0.2879-0.0000 ( 16542 PWs) bands (ev): -71.0994 -71.0994 -71.0985 -71.0985 -40.8796 -40.8796 -40.8746 -40.8746 -39.7313 -39.7313 -39.7229 -39.7229 -39.6049 -39.6049 -39.6038 -39.6038 -14.2877 -14.2877 -14.2024 -14.2024 -3.3032 -3.3032 -3.1029 -3.1029 -2.3682 -2.3682 -1.9636 -1.9636 -1.8059 -1.8059 -1.4261 -1.4261 -1.0374 -1.0374 -0.8110 -0.8110 4.3437 4.3437 4.5761 4.5761 4.9464 4.9464 5.3083 5.3083 5.4783 5.4783 5.5803 5.5803 6.3930 6.3930 6.8405 6.8405 7.0030 7.0030 7.0691 7.0691 7.1191 7.1191 7.1286 7.1286 7.6780 7.6780 7.8052 7.8052 7.9725 7.9725 8.3951 8.3951 8.8596 8.8596 k = 0.0000 0.3030-0.0000 ( 16554 PWs) bands (ev): -71.0997 -71.0997 -71.0989 -71.0989 -40.8795 -40.8795 -40.8747 -40.8747 -39.7311 -39.7311 -39.7231 -39.7231 -39.6049 -39.6049 -39.6039 -39.6039 -14.2842 -14.2842 -14.2041 -14.2041 -3.3078 -3.3078 -3.1190 -3.1190 -2.3621 -2.3621 -1.9764 -1.9764 -1.7962 -1.7962 -1.4195 -1.4195 -1.0237 -1.0237 -0.8127 -0.8127 4.3418 4.3418 4.5309 4.5309 4.9533 4.9533 5.3066 5.3066 5.4836 5.4836 5.5735 5.5735 6.4126 6.4126 6.8292 6.8292 6.9854 6.9854 7.0606 7.0606 7.0942 7.0942 7.1101 7.1101 7.6542 7.6542 7.8076 7.8076 7.9887 7.9887 8.3681 8.3681 8.8660 8.8660 k = 0.0000 0.3182-0.0000 ( 16560 PWs) bands (ev): -71.0998 -71.0998 -71.0992 -71.0992 -40.8793 -40.8793 -40.8749 -40.8749 -39.7308 -39.7308 -39.7234 -39.7234 -39.6049 -39.6049 -39.6039 -39.6039 -14.2805 -14.2805 -14.2059 -14.2059 -3.3118 -3.3118 -3.1353 -3.1353 -2.3546 -2.3546 -1.9907 -1.9907 -1.7837 -1.7837 -1.4157 -1.4157 -1.0102 -1.0102 -0.8141 -0.8141 4.3336 4.3336 4.4870 4.4870 4.9692 4.9692 5.3052 5.3052 5.4855 5.4855 5.5705 5.5705 6.4318 6.4318 6.8204 6.8204 6.9664 6.9664 7.0517 7.0517 7.0698 7.0698 7.0959 7.0959 7.6325 7.6325 7.8055 7.8055 8.0051 8.0051 8.3421 8.3421 8.8751 8.8751 k = 0.0000 0.3333-0.0000 ( 16576 PWs) bands (ev): -71.1004 -71.1004 -71.0995 -71.0995 -40.8792 -40.8792 -40.8751 -40.8751 -39.7306 -39.7306 -39.7237 -39.7237 -39.6048 -39.6048 -39.6040 -39.6040 -14.2768 -14.2768 -14.2078 -14.2078 -3.3154 -3.3154 -3.1516 -3.1516 -2.3456 -2.3456 -2.0060 -2.0060 -1.7691 -1.7691 -1.4148 -1.4148 -0.9968 -0.9968 -0.8155 -0.8155 4.3204 4.3204 4.4450 4.4450 4.9929 4.9929 5.3040 5.3040 5.4834 5.4834 5.5704 5.5704 6.4527 6.4527 6.8093 6.8093 6.9468 6.9468 7.0379 7.0379 7.0470 7.0470 7.0814 7.0814 7.6131 7.6131 7.7966 7.7966 8.0197 8.0197 8.3171 8.3171 8.8883 8.8883 k = 0.0000 0.3485-0.0000 ( 16568 PWs) bands (ev): -71.1000 -71.1000 -71.0995 -71.0995 -40.8790 -40.8790 -40.8752 -40.8752 -39.7303 -39.7303 -39.7240 -39.7240 -39.6048 -39.6048 -39.6040 -39.6040 -14.2731 -14.2731 -14.2098 -14.2098 -3.3183 -3.3183 -3.1679 -3.1679 -2.3354 -2.3354 -2.0219 -2.0219 -1.7529 -1.7529 -1.4168 -1.4168 -0.9833 -0.9833 -0.8168 -0.8168 4.3039 4.3039 4.4054 4.4054 5.0230 5.0230 5.3039 5.3039 5.4791 5.4791 5.5738 5.5738 6.4748 6.4748 6.8026 6.8026 6.9297 6.9297 7.0164 7.0164 7.0355 7.0355 7.0672 7.0672 7.5985 7.5985 7.7843 7.7843 8.0345 8.0345 8.2944 8.2944 8.9081 8.9081 k = 0.0000 0.3636-0.0000 ( 16568 PWs) bands (ev): -71.0999 -71.0999 -71.0995 -71.0995 -40.8788 -40.8788 -40.8754 -40.8754 -39.7300 -39.7300 -39.7243 -39.7243 -39.6048 -39.6048 -39.6040 -39.6040 -14.2694 -14.2694 -14.2119 -14.2119 -3.3204 -3.3204 -3.1839 -3.1839 -2.3240 -2.3240 -2.0383 -2.0383 -1.7354 -1.7354 -1.4215 -1.4215 -0.9699 -0.9699 -0.8184 -0.8184 4.2856 4.2856 4.3684 4.3684 5.0573 5.0573 5.3042 5.3042 5.4730 5.4730 5.5774 5.5774 6.4972 6.4972 6.7951 6.7951 6.9125 6.9125 6.9922 6.9922 7.0225 7.0225 7.0539 7.0539 7.5862 7.5862 7.7671 7.7671 8.0485 8.0485 8.2736 8.2736 8.9339 8.9339 k = 0.0000 0.3788-0.0000 ( 16580 PWs) bands (ev): -71.1004 -71.1004 -71.0997 -71.0997 -40.8786 -40.8786 -40.8756 -40.8756 -39.7297 -39.7297 -39.7246 -39.7246 -39.6047 -39.6047 -39.6041 -39.6041 -14.2656 -14.2656 -14.2142 -14.2142 -3.3217 -3.3217 -3.1994 -3.1994 -2.3117 -2.3117 -2.0549 -2.0549 -1.7168 -1.7168 -1.4289 -1.4289 -0.9565 -0.9565 -0.8204 -0.8204 4.2667 4.2667 4.3343 4.3343 5.0939 5.0939 5.3044 5.3044 5.4660 5.4660 5.5798 5.5798 6.5196 6.5196 6.7885 6.7885 6.8947 6.8947 6.9650 6.9650 7.0116 7.0116 7.0396 7.0396 7.5757 7.5757 7.7461 7.7461 8.0590 8.0590 8.2528 8.2528 8.9661 8.9661 k = 0.0000 0.3939-0.0000 ( 16576 PWs) bands (ev): -71.1002 -71.1002 -71.0997 -71.0997 -40.8784 -40.8784 -40.8758 -40.8758 -39.7294 -39.7294 -39.7249 -39.7249 -39.6047 -39.6047 -39.6041 -39.6041 -14.2619 -14.2619 -14.2167 -14.2167 -3.3222 -3.3222 -3.2144 -3.2144 -2.2984 -2.2984 -2.0717 -2.0717 -1.6975 -1.6975 -1.4386 -1.4386 -0.9432 -0.9432 -0.8228 -0.8228 4.2484 4.2484 4.3033 4.3033 5.1312 5.1312 5.3056 5.3056 5.4601 5.4601 5.5819 5.5819 6.5414 6.5414 6.7847 6.7847 6.8771 6.8771 6.9397 6.9397 7.0043 7.0043 7.0273 7.0273 7.5675 7.5675 7.7244 7.7244 8.0701 8.0701 8.2352 8.2352 9.0050 9.0050 k = 0.0000 0.4091-0.0000 ( 16568 PWs) bands (ev): -71.0999 -71.0999 -71.0995 -71.0995 -40.8783 -40.8783 -40.8760 -40.8760 -39.7291 -39.7291 -39.7252 -39.7252 -39.6046 -39.6046 -39.6042 -39.6042 -14.2582 -14.2582 -14.2192 -14.2192 -3.3216 -3.3216 -3.2288 -3.2288 -2.2844 -2.2844 -2.0886 -2.0886 -1.6775 -1.6775 -1.4505 -1.4505 -0.9301 -0.9301 -0.8259 -0.8259 4.2315 4.2315 4.2758 4.2758 5.1679 5.1679 5.3068 5.3068 5.4559 5.4559 5.5810 5.5810 6.5659 6.5659 6.7808 6.7808 6.8613 6.8613 6.9158 6.9158 6.9971 6.9971 7.0179 7.0179 7.5624 7.5624 7.7012 7.7012 8.0810 8.0810 8.2176 8.2176 9.0492 9.0492 k = 0.0000 0.4242-0.0000 ( 16570 PWs) bands (ev): -71.0998 -71.0998 -71.0998 -71.0998 -40.8781 -40.8781 -40.8762 -40.8762 -39.7288 -39.7288 -39.7256 -39.7256 -39.6046 -39.6046 -39.6042 -39.6042 -14.2545 -14.2545 -14.2219 -14.2219 -3.3200 -3.3200 -3.2423 -3.2423 -2.2697 -2.2697 -2.1055 -2.1055 -1.6571 -1.6571 -1.4643 -1.4643 -0.9174 -0.9174 -0.8298 -0.8298 4.2166 4.2166 4.2518 4.2518 5.2024 5.2024 5.3079 5.3079 5.4544 5.4544 5.5766 5.5766 6.5893 6.5893 6.7770 6.7770 6.8457 6.8457 6.8920 6.8920 6.9877 6.9877 7.0084 7.0084 7.5604 7.5604 7.6781 7.6781 8.0904 8.0904 8.2016 8.2016 9.0982 9.0982 k = 0.0000 0.4394-0.0000 ( 16554 PWs) bands (ev): -71.0994 -71.0994 -71.0992 -71.0992 -40.8779 -40.8779 -40.8763 -40.8763 -39.7284 -39.7284 -39.7259 -39.7259 -39.6045 -39.6045 -39.6042 -39.6042 -14.2509 -14.2509 -14.2247 -14.2247 -3.3174 -3.3174 -3.2550 -3.2550 -2.2545 -2.2545 -2.1225 -2.1225 -1.6363 -1.6363 -1.4798 -1.4798 -0.9051 -0.9051 -0.8345 -0.8345 4.2044 4.2044 4.2314 4.2314 5.2328 5.2328 5.3094 5.3094 5.4572 5.4572 5.5695 5.5695 6.6160 6.6160 6.7734 6.7734 6.8327 6.8327 6.8727 6.8727 6.9821 6.9821 7.0000 7.0000 7.5612 7.5612 7.6562 7.6562 8.1014 8.1014 8.1881 8.1881 9.1515 9.1515 k = 0.0000 0.4545-0.0000 ( 16582 PWs) bands (ev): -71.1007 -71.1007 -71.0995 -71.0995 -40.8777 -40.8777 -40.8766 -40.8766 -39.7281 -39.7281 -39.7262 -39.7262 -39.6045 -39.6045 -39.6043 -39.6043 -14.2473 -14.2473 -14.2276 -14.2276 -3.3136 -3.3136 -3.2666 -3.2666 -2.2389 -2.2389 -2.1395 -2.1395 -1.6155 -1.6155 -1.4967 -1.4967 -0.8934 -0.8934 -0.8401 -0.8401 4.1950 4.1950 4.2148 4.2148 5.2569 5.2569 5.3090 5.3090 5.4637 5.4637 5.5583 5.5583 6.6369 6.6369 6.7639 6.7639 6.8181 6.8181 6.8519 6.8519 6.9782 6.9782 6.9889 6.9889 7.5610 7.5610 7.6340 7.6340 8.1098 8.1098 8.1735 8.1735 9.2073 9.2073 k = 0.0000 0.4697-0.0000 ( 16572 PWs) bands (ev): -71.1001 -71.1001 -71.0995 -71.0995 -40.8775 -40.8775 -40.8767 -40.8767 -39.7278 -39.7278 -39.7265 -39.7265 -39.6045 -39.6045 -39.6043 -39.6043 -14.2438 -14.2438 -14.2306 -14.2306 -3.3086 -3.3086 -3.2773 -3.2773 -2.2228 -2.2228 -2.1564 -2.1564 -1.5946 -1.5946 -1.5148 -1.5148 -0.8823 -0.8823 -0.8467 -0.8467 4.1891 4.1891 4.2020 4.2020 5.2762 5.2762 5.3081 5.3081 5.4762 5.4762 5.5446 5.5446 6.6639 6.6639 6.7524 6.7524 6.8118 6.8118 6.8373 6.8373 6.9751 6.9751 6.9830 6.9830 7.5675 7.5675 7.6155 7.6155 8.1203 8.1203 8.1616 8.1616 9.2671 9.2671 k = 0.0000 0.4848-0.0000 ( 16588 PWs) bands (ev): -71.1003 -71.1003 -71.1003 -71.1003 -40.8773 -40.8773 -40.8769 -40.8769 -39.7275 -39.7275 -39.7269 -39.7269 -39.6045 -39.6045 -39.6044 -39.6044 -14.2404 -14.2404 -14.2338 -14.2338 -3.3025 -3.3025 -3.2868 -3.2868 -2.2065 -2.2065 -2.1732 -2.1732 -1.5739 -1.5739 -1.5338 -1.5338 -0.8721 -0.8721 -0.8542 -0.8542 4.1867 4.1867 4.1930 4.1930 5.2897 5.2897 5.3047 5.3047 5.4921 5.4921 5.5279 5.5279 6.6869 6.6869 6.7328 6.7328 6.8099 6.8099 6.8234 6.8234 6.9726 6.9726 6.9758 6.9758 7.5749 7.5749 7.5991 7.5991 8.1296 8.1296 8.1492 8.1492 9.3290 9.3290 k = 0.0000 0.5000-0.0000 ( 16586 PWs) bands (ev): -71.1002 -71.1002 -71.1002 -71.1002 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.2953 -3.2953 -3.2953 -3.2953 -2.1900 -2.1900 -2.1900 -2.1900 -1.5536 -1.5536 -1.5536 -1.5536 -0.8627 -0.8627 -0.8627 -0.8627 4.1880 4.1880 4.1880 4.1880 5.2990 5.2990 5.2990 5.2990 5.5100 5.5100 5.5100 5.5100 6.7115 6.7115 6.7115 6.7115 6.8145 6.8145 6.8145 6.8145 6.9732 6.9732 6.9732 6.9732 7.5856 7.5856 7.5856 7.5856 8.1396 8.1396 8.1396 8.1396 9.3935 9.3935 k = 0.0000 0.5000-0.0000 ( 16586 PWs) bands (ev): -71.1002 -71.1002 -71.1002 -71.1002 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.2953 -3.2953 -3.2953 -3.2953 -2.1900 -2.1900 -2.1900 -2.1900 -1.5536 -1.5536 -1.5536 -1.5536 -0.8627 -0.8627 -0.8627 -0.8627 4.1880 4.1880 4.1880 4.1880 5.2990 5.2990 5.2990 5.2990 5.5100 5.5100 5.5100 5.5100 6.7115 6.7115 6.7115 6.7115 6.8145 6.8145 6.8145 6.8145 6.9732 6.9732 6.9732 6.9732 7.5856 7.5856 7.5856 7.5856 8.1396 8.1396 8.1396 8.1396 9.3935 9.3935 k = 0.0152 0.5000-0.0000 ( 16602 PWs) bands (ev): -71.1007 -71.1007 -71.1007 -71.1007 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.2956 -3.2956 -3.2944 -3.2944 -2.1946 -2.1946 -2.1849 -2.1849 -1.5580 -1.5580 -1.5500 -1.5500 -0.8645 -0.8645 -0.8624 -0.8624 4.1873 4.1873 4.1883 4.1883 5.2920 5.2920 5.3037 5.3037 5.5009 5.5009 5.5186 5.5186 6.7049 6.7049 6.7113 6.7113 6.8092 6.8092 6.8197 6.8197 6.9709 6.9709 6.9737 6.9737 7.5824 7.5824 7.5831 7.5831 8.1378 8.1378 8.1438 8.1438 9.3877 9.3877 k = 0.0303 0.5000-0.0000 ( 16574 PWs) bands (ev): -71.0999 -71.0999 -71.0999 -71.0999 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2368 -14.2368 -14.2368 -14.2368 -3.2955 -3.2955 -3.2929 -3.2929 -2.1987 -2.1987 -2.1795 -2.1795 -1.5632 -1.5632 -1.5471 -1.5471 -0.8677 -0.8677 -0.8636 -0.8636 4.1864 4.1864 4.1884 4.1884 5.2854 5.2854 5.3076 5.3076 5.4944 5.4944 5.5286 5.5286 6.6998 6.6998 6.7120 6.7120 6.8108 6.8108 6.8308 6.8308 6.9692 6.9692 6.9748 6.9748 7.5787 7.5787 7.5800 7.5800 8.1430 8.1430 8.1546 8.1546 9.3756 9.3799 k = 0.0455 0.5000-0.0000 ( 16566 PWs) bands (ev): -71.0997 -71.0997 -71.0997 -71.0997 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2366 -14.2366 -14.2366 -14.2366 -3.2949 -3.2949 -3.2910 -3.2910 -2.2024 -2.2024 -2.1736 -2.1736 -1.5692 -1.5692 -1.5449 -1.5449 -0.8723 -0.8723 -0.8664 -0.8664 4.1849 4.1849 4.1881 4.1881 5.2778 5.2778 5.3091 5.3091 5.4882 5.4882 5.5376 5.5376 6.6904 6.6904 6.7065 6.7065 6.8124 6.8124 6.8401 6.8401 6.9687 6.9687 6.9772 6.9772 7.5699 7.5699 7.5720 7.5720 8.1508 8.1508 8.1679 8.1679 9.3559 9.3591 k = 0.0606 0.5000-0.0000 ( 16566 PWs) bands (ev): -71.0997 -71.0997 -71.0997 -71.0997 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2363 -14.2363 -14.2363 -14.2363 -3.2937 -3.2937 -3.2887 -3.2887 -2.2057 -2.2057 -2.1673 -2.1673 -1.5759 -1.5759 -1.5434 -1.5434 -0.8783 -0.8783 -0.8706 -0.8706 4.1827 4.1827 4.1873 4.1873 5.2696 5.2696 5.3080 5.3080 5.4832 5.4832 5.5460 5.5460 6.6792 6.6792 6.6974 6.6974 6.8153 6.8153 6.8484 6.8484 6.9684 6.9684 6.9795 6.9795 7.5585 7.5585 7.5615 7.5615 8.1597 8.1597 8.1818 8.1818 9.3313 9.3342 k = 0.0758 0.5000-0.0000 ( 16562 PWs) bands (ev): -71.0995 -71.0995 -71.0995 -71.0995 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2359 -14.2359 -14.2359 -14.2359 -3.2921 -3.2921 -3.2859 -3.2859 -2.2084 -2.2084 -2.1605 -2.1605 -1.5833 -1.5833 -1.5426 -1.5426 -0.8857 -0.8857 -0.8764 -0.8764 4.1797 4.1797 4.1860 4.1860 5.2620 5.2620 5.3052 5.3052 5.4799 5.4799 5.5538 5.5538 6.6676 6.6676 6.6875 6.6875 6.8182 6.8182 6.8557 6.8557 6.9693 6.9693 6.9825 6.9825 7.5459 7.5459 7.5497 7.5497 8.1705 8.1705 8.1972 8.1972 9.3028 9.3028 k = 0.0909 0.5000-0.0000 ( 16552 PWs) bands (ev): -71.0992 -71.0992 -71.0992 -71.0992 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2355 -14.2355 -14.2354 -14.2354 -3.2901 -3.2901 -3.2827 -3.2827 -2.2107 -2.2107 -2.1533 -2.1533 -1.5913 -1.5913 -1.5422 -1.5422 -0.8944 -0.8944 -0.8837 -0.8837 4.1756 4.1756 4.1839 4.1839 5.2551 5.2551 5.3009 5.3009 5.4783 5.4783 5.5610 5.5610 6.6570 6.6570 6.6783 6.6783 6.8219 6.8219 6.8622 6.8622 6.9699 6.9699 6.9843 6.9843 7.5337 7.5337 7.5383 7.5383 8.1807 8.1807 8.2113 8.2113 9.2696 9.2697 k = 0.1061 0.5000-0.0000 ( 16556 PWs) bands (ev): -71.0994 -71.0994 -71.0994 -71.0994 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2349 -14.2349 -14.2349 -14.2349 -3.2877 -3.2877 -3.2791 -3.2791 -2.2124 -2.2124 -2.1456 -2.1456 -1.5999 -1.5999 -1.5424 -1.5424 -0.9044 -0.9044 -0.8925 -0.8925 4.1703 4.1703 4.1808 4.1808 5.2486 5.2486 5.2951 5.2951 5.4776 5.4776 5.5676 5.5676 6.6454 6.6454 6.6671 6.6671 6.8225 6.8225 6.8632 6.8632 6.9717 6.9717 6.9860 6.9860 7.5205 7.5205 7.5258 7.5258 8.1890 8.1890 8.2228 8.2228 9.2369 9.2369 k = 0.1212 0.5000-0.0000 ( 16552 PWs) bands (ev): -71.0992 -71.0992 -71.0992 -71.0992 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2343 -14.2343 -14.2343 -14.2343 -3.2849 -3.2849 -3.2753 -3.2753 -2.2135 -2.2135 -2.1375 -2.1375 -1.6089 -1.6089 -1.5429 -1.5429 -0.9157 -0.9157 -0.9029 -0.9029 4.1637 4.1637 4.1766 4.1766 5.2434 5.2434 5.2892 5.2892 5.4779 5.4779 5.5740 5.5740 6.6353 6.6353 6.6568 6.6568 6.8213 6.8213 6.8603 6.8603 6.9771 6.9771 6.9898 6.9898 7.5074 7.5074 7.5131 7.5131 8.1960 8.1960 8.2319 8.2319 9.2075 9.2075 k = 0.1364 0.5000-0.0000 ( 16548 PWs) bands (ev): -71.0991 -71.0991 -71.0991 -71.0991 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6043 -39.6043 -14.2336 -14.2336 -14.2336 -14.2336 -3.2819 -3.2819 -3.2712 -3.2712 -2.2140 -2.2140 -2.1288 -2.1288 -1.6183 -1.6183 -1.5437 -1.5437 -0.9283 -0.9283 -0.9149 -0.9149 4.1555 4.1555 4.1710 4.1710 5.2398 5.2398 5.2835 5.2835 5.4791 5.4791 5.5796 5.5796 6.6242 6.6242 6.6459 6.6459 6.8181 6.8181 6.8542 6.8542 6.9854 6.9854 6.9952 6.9952 7.4960 7.4960 7.5021 7.5021 8.1985 8.1985 8.2357 8.2357 9.1837 9.1837 k = 0.1515 0.5000-0.0000 ( 16548 PWs) bands (ev): -71.0991 -71.0991 -71.0991 -71.0991 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6043 -39.6043 -14.2329 -14.2329 -14.2328 -14.2328 -3.2786 -3.2786 -3.2669 -3.2669 -2.2138 -2.2138 -2.1196 -2.1196 -1.6280 -1.6280 -1.5447 -1.5447 -0.9420 -0.9420 -0.9283 -0.9283 4.1458 4.1458 4.1640 4.1640 5.2371 5.2371 5.2782 5.2782 5.4806 5.4806 5.5850 5.5850 6.6150 6.6150 6.6366 6.6366 6.8122 6.8122 6.8448 6.8448 6.9942 6.9942 7.0009 7.0009 7.4835 7.4835 7.4898 7.4898 8.1973 8.1973 8.2344 8.2344 9.1673 9.1673 k = 0.1667 0.5000-0.0000 ( 16546 PWs) bands (ev): -71.0990 -71.0990 -71.0990 -71.0990 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6043 -39.6043 -14.2321 -14.2321 -14.2321 -14.2321 -3.2751 -3.2751 -3.2625 -3.2625 -2.2128 -2.2128 -2.1099 -2.1099 -1.6378 -1.6378 -1.5458 -1.5458 -0.9568 -0.9568 -0.9432 -0.9432 4.1345 4.1345 4.1554 4.1554 5.2358 5.2358 5.2738 5.2738 5.4825 5.4825 5.5901 5.5901 6.6074 6.6074 6.6288 6.6288 6.8043 6.8043 6.8329 6.8329 7.0033 7.0033 7.0066 7.0066 7.4719 7.4719 7.4783 7.4783 8.1921 8.1921 8.2278 8.2278 9.1596 9.1596 k = 0.1818 0.5000-0.0000 ( 16542 PWs) bands (ev): -71.0989 -71.0989 -71.0989 -71.0989 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6043 -39.6043 -39.6043 -39.6043 -14.2312 -14.2312 -14.2312 -14.2312 -3.2714 -3.2714 -3.2582 -3.2582 -2.2110 -2.2110 -2.0996 -2.0996 -1.6478 -1.6478 -1.5470 -1.5470 -0.9728 -0.9728 -0.9595 -0.9595 4.1216 4.1216 4.1451 4.1451 5.2362 5.2362 5.2710 5.2710 5.4847 5.4847 5.5946 5.5946 6.5993 6.5993 6.6206 6.6206 6.7957 6.7957 6.8200 6.8200 7.0137 7.0137 7.0143 7.0143 7.4622 7.4622 7.4685 7.4685 8.1810 8.1810 8.2143 8.2143 9.1605 9.1605 k = 0.1970 0.5000-0.0000 ( 16546 PWs) bands (ev): -71.0990 -71.0990 -71.0990 -71.0990 -40.8772 -40.8772 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6043 -39.6043 -39.6043 -39.6043 -14.2304 -14.2304 -14.2303 -14.2303 -3.2677 -3.2677 -3.2538 -3.2538 -2.2084 -2.2084 -2.0888 -2.0888 -1.6577 -1.6577 -1.5481 -1.5481 -0.9897 -0.9897 -0.9772 -0.9772 4.1070 4.1070 4.1329 4.1329 5.2380 5.2380 5.2691 5.2691 5.4875 5.4875 5.5989 5.5989 6.5905 6.5905 6.6118 6.6118 6.7854 6.7854 6.8057 6.8057 7.0204 7.0204 7.0247 7.0247 7.4527 7.4527 7.4589 7.4589 8.1653 8.1653 8.1954 8.1954 9.1699 9.1699 k = 0.2121 0.5000-0.0000 ( 16546 PWs) bands (ev): -71.0990 -71.0990 -71.0990 -71.0990 -40.8772 -40.8772 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6043 -39.6043 -39.6043 -39.6043 -14.2295 -14.2295 -14.2294 -14.2294 -3.2640 -3.2640 -3.2496 -3.2496 -2.2048 -2.2048 -2.0773 -2.0773 -1.6675 -1.6675 -1.5492 -1.5492 -1.0076 -1.0076 -0.9963 -0.9963 4.0911 4.0911 4.1190 4.1190 5.2407 5.2407 5.2690 5.2690 5.4903 5.4903 5.6032 5.6032 6.5838 6.5838 6.6055 6.6055 6.7752 6.7752 6.7920 6.7920 7.0268 7.0268 7.0347 7.0347 7.4435 7.4435 7.4495 7.4495 8.1453 8.1453 8.1716 8.1716 9.1869 9.1869 k = 0.2273 0.5000-0.0000 ( 16546 PWs) bands (ev): -71.0990 -71.0990 -71.0990 -71.0990 -40.8772 -40.8772 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6043 -39.6043 -39.6043 -39.6043 -14.2285 -14.2285 -14.2285 -14.2285 -3.2603 -3.2603 -3.2455 -3.2455 -2.2002 -2.2002 -2.0652 -2.0652 -1.6772 -1.6772 -1.5501 -1.5501 -1.0264 -1.0264 -1.0165 -1.0165 4.0742 4.0742 4.1038 4.1038 5.2440 5.2440 5.2702 5.2702 5.4933 5.4933 5.6077 5.6077 6.5787 6.5787 6.6006 6.6006 6.7639 6.7639 6.7781 6.7781 7.0337 7.0337 7.0446 7.0446 7.4327 7.4327 7.4384 7.4384 8.1237 8.1237 8.1457 8.1457 9.2103 9.2103 k = 0.2424 0.5000-0.0000 ( 16552 PWs) bands (ev): -71.0991 -71.0991 -71.0991 -71.0991 -40.8772 -40.8772 -40.8771 -40.8771 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2276 -14.2276 -14.2276 -14.2276 -3.2567 -3.2567 -3.2416 -3.2416 -2.1946 -2.1946 -2.0526 -2.0526 -1.6866 -1.6866 -1.5509 -1.5509 -1.0460 -1.0460 -1.0380 -1.0380 4.0563 4.0563 4.0872 4.0872 5.2481 5.2481 5.2725 5.2725 5.4969 5.4969 5.6121 5.6121 6.5737 6.5737 6.5958 6.5958 6.7519 6.7519 6.7630 6.7630 7.0395 7.0395 7.0536 7.0536 7.4224 7.4224 7.4279 7.4279 8.0991 8.0991 8.1170 8.1170 9.2387 9.2387 k = 0.2576 0.5000-0.0000 ( 16556 PWs) bands (ev): -71.0992 -71.0992 -71.0992 -71.0992 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2266 -14.2266 -14.2266 -14.2266 -3.2533 -3.2533 -3.2381 -3.2381 -2.1878 -2.1878 -2.0393 -2.0393 -1.6957 -1.6957 -1.5514 -1.5514 -1.0662 -1.0662 -1.0605 -1.0605 4.0378 4.0378 4.0695 4.0695 5.2527 5.2527 5.2758 5.2758 5.5009 5.5009 5.6166 5.6166 6.5695 6.5695 6.5919 6.5919 6.7399 6.7399 6.7485 6.7485 7.0462 7.0462 7.0633 7.0633 7.4120 7.4120 7.4172 7.4172 8.0734 8.0734 8.0873 8.0873 9.2710 9.2710 k = 0.2727 0.5000-0.0000 ( 16570 PWs) bands (ev): -71.0996 -71.0996 -71.0996 -71.0996 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2257 -14.2257 -14.2257 -14.2257 -3.2500 -3.2500 -3.2348 -3.2348 -2.1799 -2.1799 -2.0256 -2.0256 -1.7044 -1.7044 -1.5519 -1.5519 -1.0870 -1.0870 -1.0839 -1.0839 4.0189 4.0189 4.0508 4.0508 5.2572 5.2572 5.2796 5.2796 5.5052 5.5052 5.6210 5.6210 6.5665 6.5665 6.5890 6.5890 6.7266 6.7266 6.7329 6.7329 7.0516 7.0516 7.0714 7.0714 7.4002 7.4002 7.4052 7.4052 8.0465 8.0465 8.0567 8.0567 9.3058 9.3058 k = 0.2879 0.5000-0.0000 ( 16558 PWs) bands (ev): -71.0993 -71.0993 -71.0993 -71.0993 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2248 -14.2248 -14.2247 -14.2247 -3.2469 -3.2469 -3.2319 -3.2319 -2.1709 -2.1709 -2.0113 -2.0113 -1.7126 -1.7126 -1.5521 -1.5521 -1.1081 -1.1081 -1.1080 -1.1080 4.0003 4.0003 4.0321 4.0321 5.2621 5.2621 5.2842 5.2842 5.5107 5.5107 5.6259 5.6259 6.5675 6.5675 6.5899 6.5899 6.7153 6.7153 6.7194 6.7194 7.0578 7.0578 7.0804 7.0804 7.3893 7.3893 7.3942 7.3942 8.0230 8.0230 8.0299 8.0299 9.3422 9.3422 k = 0.3030 0.5000-0.0000 ( 16554 PWs) bands (ev): -71.0991 -71.0991 -71.0991 -71.0991 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2239 -14.2239 -14.2238 -14.2238 -3.2440 -3.2440 -3.2294 -3.2294 -2.1607 -2.1607 -1.9968 -1.9968 -1.7202 -1.7202 -1.5522 -1.5522 -1.1328 -1.1328 -1.1296 -1.1296 3.9817 3.9817 4.0129 4.0129 5.2670 5.2670 5.2888 5.2888 5.5167 5.5167 5.6302 5.6302 6.5678 6.5678 6.5902 6.5902 6.7042 6.7042 6.7063 6.7063 7.0631 7.0631 7.0885 7.0885 7.3778 7.3778 7.3830 7.3830 8.0001 8.0001 8.0042 8.0042 9.3791 9.3791 k = 0.3182 0.5000-0.0000 ( 16542 PWs) bands (ev): -71.0987 -71.0987 -71.0987 -71.0987 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2230 -14.2230 -14.2229 -14.2229 -3.2414 -3.2414 -3.2273 -3.2273 -2.1494 -2.1494 -1.9821 -1.9821 -1.7271 -1.7271 -1.5523 -1.5523 -1.1580 -1.1580 -1.1511 -1.1511 3.9637 3.9637 3.9940 3.9940 5.2719 5.2719 5.2934 5.2934 5.5236 5.5236 5.6343 5.6343 6.5698 6.5698 6.5920 6.5920 6.6954 6.6954 6.6957 6.6957 7.0684 7.0684 7.0964 7.0964 7.3649 7.3649 7.3703 7.3703 7.9796 7.9796 7.9814 7.9814 9.4157 9.4157 k = 0.3333 0.5000-0.0000 ( 16534 PWs) bands (ev): -71.0985 -71.0985 -71.0985 -71.0985 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2221 -14.2221 -14.2221 -14.2221 -3.2390 -3.2390 -3.2256 -3.2256 -2.1369 -2.1369 -1.9677 -1.9677 -1.7330 -1.7330 -1.5525 -1.5525 -1.1833 -1.1833 -1.1726 -1.1726 3.9464 3.9464 3.9753 3.9753 5.2763 5.2763 5.2976 5.2976 5.5306 5.5306 5.6377 5.6377 6.5725 6.5725 6.5949 6.5949 6.6860 6.6860 6.6867 6.6867 7.0732 7.0732 7.1035 7.1035 7.3516 7.3516 7.3575 7.3575 7.9595 7.9595 7.9595 7.9595 9.4515 9.4515 k = 0.3485 0.5000-0.0000 ( 16538 PWs) bands (ev): -71.0986 -71.0986 -71.0986 -71.0986 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2213 -14.2213 -14.2213 -14.2213 -3.2369 -3.2369 -3.2242 -3.2242 -2.1235 -2.1235 -1.9539 -1.9539 -1.7376 -1.7376 -1.5529 -1.5529 -1.2085 -1.2085 -1.1938 -1.1938 3.9299 3.9299 3.9571 3.9571 5.2801 5.2801 5.3013 5.3013 5.5379 5.5379 5.6405 5.6405 6.5758 6.5758 6.5977 6.5977 6.6750 6.6750 6.6769 6.6769 7.0772 7.0772 7.1099 7.1099 7.3372 7.3372 7.3439 7.3439 7.9387 7.9387 7.9400 7.9400 9.4859 9.4859 k = 0.3636 0.5000-0.0000 ( 16546 PWs) bands (ev): -71.0988 -71.0988 -71.0988 -71.0988 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2206 -14.2206 -14.2206 -14.2206 -3.2350 -3.2350 -3.2232 -3.2232 -2.1091 -2.1091 -1.9413 -1.9413 -1.7403 -1.7403 -1.5537 -1.5537 -1.2332 -1.2332 -1.2146 -1.2146 3.9145 3.9145 3.9397 3.9397 5.2839 5.2839 5.3045 5.3045 5.5458 5.5458 5.6425 5.6425 6.5791 6.5791 6.6002 6.6002 6.6653 6.6653 6.6685 6.6685 7.0809 7.0809 7.1154 7.1154 7.3211 7.3211 7.3288 7.3288 7.9202 7.9202 7.9225 7.9225 9.5187 9.5187 k = 0.3788 0.5000-0.0000 ( 16548 PWs) bands (ev): -71.0988 -71.0988 -71.0988 -71.0988 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2199 -14.2199 -14.2199 -14.2199 -3.2333 -3.2333 -3.2226 -3.2226 -2.0939 -2.0939 -1.9308 -1.9308 -1.7407 -1.7407 -1.5553 -1.5553 -1.2568 -1.2568 -1.2347 -1.2347 3.9004 3.9004 3.9234 3.9234 5.2875 5.2875 5.3072 5.3072 5.5541 5.5541 5.6437 5.6437 6.5848 6.5848 6.6044 6.6044 6.6564 6.6564 6.6610 6.6610 7.0853 7.0853 7.1214 7.1214 7.3056 7.3056 7.3147 7.3147 7.9027 7.9027 7.9055 7.9055 9.5498 9.5498 k = 0.3939 0.5000-0.0000 ( 16550 PWs) bands (ev): -71.0989 -71.0989 -71.0989 -71.0989 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2193 -14.2193 -14.2192 -14.2192 -3.2317 -3.2317 -3.2222 -3.2222 -2.0781 -2.0781 -1.9232 -1.9232 -1.7379 -1.7379 -1.5579 -1.5579 -1.2789 -1.2789 -1.2539 -1.2539 3.8880 3.8880 3.9085 3.9085 5.2908 5.2908 5.3093 5.3093 5.5625 5.5625 5.6440 5.6440 6.5911 6.5911 6.6090 6.6090 6.6499 6.6499 6.6554 6.6554 7.0895 7.0895 7.1263 7.1263 7.2880 7.2880 7.2984 7.2984 7.8884 7.8884 7.8915 7.8915 9.5789 9.5789 k = 0.4091 0.5000-0.0000 ( 16550 PWs) bands (ev): -71.0989 -71.0989 -71.0989 -71.0989 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6042 -39.6042 -14.2187 -14.2187 -14.2187 -14.2187 -3.2304 -3.2304 -3.2220 -3.2220 -2.0617 -2.0617 -1.9192 -1.9192 -1.7314 -1.7314 -1.5621 -1.5621 -1.2989 -1.2989 -1.2721 -1.2721 3.8768 3.8768 3.8947 3.8947 5.2938 5.2938 5.3108 5.3108 5.5710 5.5710 5.6433 5.6433 6.5970 6.5970 6.6124 6.6124 6.6438 6.6438 6.6503 6.6503 7.0957 7.0957 7.1329 7.1329 7.2733 7.2733 7.2855 7.2855 7.8745 7.8745 7.8775 7.8775 9.6061 9.6061 k = 0.4242 0.5000-0.0000 ( 16550 PWs) bands (ev): -71.0989 -71.0989 -71.0989 -71.0989 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6042 -39.6042 -39.6042 -39.6042 -14.2182 -14.2182 -14.2182 -14.2182 -3.2292 -3.2292 -3.2221 -3.2221 -2.0450 -2.0450 -1.9191 -1.9191 -1.7213 -1.7213 -1.5683 -1.5683 -1.3159 -1.3159 -1.2889 -1.2889 3.8677 3.8677 3.8828 3.8828 5.2966 5.2966 5.3115 5.3115 5.5793 5.5793 5.6413 5.6413 6.6026 6.6026 6.6148 6.6148 6.6385 6.6385 6.6461 6.6461 7.1006 7.1006 7.1369 7.1369 7.2585 7.2585 7.2720 7.2720 7.8670 7.8670 7.8698 7.8698 9.6312 9.6312 k = 0.4394 0.5000-0.0000 ( 16524 PWs) bands (ev): -71.0981 -71.0981 -71.0981 -71.0981 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6042 -39.6042 -39.6042 -39.6042 -14.2178 -14.2178 -14.2178 -14.2178 -3.2281 -3.2281 -3.2224 -3.2224 -2.0282 -2.0282 -1.9228 -1.9228 -1.7078 -1.7078 -1.5770 -1.5770 -1.3294 -1.3294 -1.3040 -1.3040 3.8605 3.8605 3.8727 3.8727 5.2995 5.2995 5.3120 5.3120 5.5880 5.5880 5.6387 5.6387 6.6097 6.6097 6.6175 6.6175 6.6353 6.6353 6.6445 6.6445 7.1096 7.1096 7.1435 7.1435 7.2489 7.2489 7.2633 7.2633 7.8617 7.8617 7.8641 7.8641 9.6541 9.6541 k = 0.4545 0.5000-0.0000 ( 16540 PWs) bands (ev): -71.0986 -71.0986 -71.0986 -71.0986 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6042 -39.6042 -39.6042 -39.6042 -14.2175 -14.2175 -14.2175 -14.2175 -3.2271 -3.2271 -3.2228 -3.2228 -2.0115 -2.0115 -1.9297 -1.9297 -1.6917 -1.6917 -1.5884 -1.5884 -1.3390 -1.3390 -1.3174 -1.3174 3.8549 3.8549 3.8642 3.8642 5.3018 5.3018 5.3116 5.3116 5.5958 5.5958 5.6346 5.6346 6.6130 6.6130 6.6171 6.6171 6.6322 6.6322 6.6415 6.6415 7.1142 7.1142 7.1434 7.1434 7.2366 7.2366 7.2503 7.2503 7.8553 7.8553 7.8572 7.8572 9.6741 9.6741 k = 0.4697 0.5000-0.0000 ( 16540 PWs) bands (ev): -71.0986 -71.0986 -71.0986 -71.0986 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6042 -39.6042 -39.6042 -39.6042 -14.2173 -14.2173 -14.2173 -14.2173 -3.2262 -3.2262 -3.2233 -3.2233 -1.9951 -1.9951 -1.9394 -1.9394 -1.6739 -1.6739 -1.6024 -1.6024 -1.3443 -1.3443 -1.3286 -1.3286 3.8516 3.8516 3.8578 3.8578 5.3042 5.3042 5.3108 5.3108 5.6036 5.6036 5.6298 5.6298 6.6154 6.6154 6.6170 6.6170 6.6324 6.6324 6.6402 6.6402 7.1215 7.1215 7.1436 7.1436 7.2284 7.2284 7.2397 7.2397 7.8521 7.8521 7.8534 7.8534 9.6907 9.6907 k = 0.4848 0.5000-0.0000 ( 16540 PWs) bands (ev): -71.0986 -71.0986 -71.0986 -71.0986 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6042 -39.6042 -39.6042 -39.6042 -14.2172 -14.2172 -14.2172 -14.2172 -3.2254 -3.2254 -3.2239 -3.2239 -1.9794 -1.9794 -1.9512 -1.9512 -1.6552 -1.6552 -1.6187 -1.6187 -1.3455 -1.3455 -1.3373 -1.3373 3.8501 3.8501 3.8532 3.8532 5.3064 5.3064 5.3098 5.3098 5.6112 5.6112 5.6244 5.6244 6.6157 6.6157 6.6159 6.6159 6.6338 6.6338 6.6383 6.6383 7.1304 7.1304 7.1425 7.1425 7.2253 7.2253 7.2319 7.2319 7.8491 7.8491 7.8498 7.8498 9.7026 9.7026 k = 0.5000 0.5000-0.0000 ( 16516 PWs) bands (ev): -71.0979 -71.0979 -71.0979 -71.0979 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6042 -39.6042 -39.6042 -39.6042 -14.2171 -14.2171 -14.2171 -14.2171 -3.2246 -3.2246 -3.2246 -3.2246 -1.9647 -1.9647 -1.9647 -1.9647 -1.6366 -1.6366 -1.6366 -1.6366 -1.3430 -1.3430 -1.3430 -1.3430 3.8509 3.8509 3.8509 3.8509 5.3085 5.3085 5.3085 5.3085 5.6185 5.6185 5.6185 5.6185 6.6175 6.6175 6.6175 6.6175 6.6375 6.6375 6.6375 6.6375 7.1408 7.1408 7.1408 7.1408 7.2275 7.2275 7.2275 7.2275 7.8512 7.8512 7.8512 7.8512 9.7086 9.7086 k = 0.5000 0.5000-0.0000 ( 16516 PWs) bands (ev): -71.0979 -71.0979 -71.0979 -71.0979 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6042 -39.6042 -39.6042 -39.6042 -14.2171 -14.2171 -14.2171 -14.2171 -3.2246 -3.2246 -3.2246 -3.2246 -1.9647 -1.9647 -1.9647 -1.9647 -1.6366 -1.6366 -1.6366 -1.6366 -1.3430 -1.3430 -1.3430 -1.3430 3.8509 3.8509 3.8509 3.8509 5.3085 5.3085 5.3085 5.3085 5.6185 5.6185 5.6185 5.6185 6.6175 6.6175 6.6175 6.6175 6.6375 6.6375 6.6375 6.6375 7.1408 7.1408 7.1408 7.1408 7.2275 7.2275 7.2275 7.2275 7.8512 7.8512 7.8512 7.8512 9.7086 9.7086 k = 0.4894 0.4894-0.0000 ( 16544 PWs) bands (ev): -71.0989 -71.0989 -71.0986 -71.0986 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6042 -39.6042 -39.6042 -39.6042 -14.2172 -14.2172 -14.2171 -14.2171 -3.2254 -3.2254 -3.2239 -3.2239 -1.9793 -1.9793 -1.9513 -1.9513 -1.6551 -1.6551 -1.6188 -1.6188 -1.3458 -1.3458 -1.3371 -1.3371 3.8500 3.8500 3.8531 3.8531 5.3064 5.3064 5.3097 5.3097 5.6112 5.6112 5.6242 5.6242 6.6155 6.6155 6.6166 6.6166 6.6340 6.6340 6.6381 6.6381 7.1295 7.1295 7.1425 7.1425 7.2243 7.2243 7.2322 7.2322 7.8466 7.8466 7.8502 7.8502 9.7017 9.7017 k = 0.4787 0.4787-0.0000 ( 16538 PWs) bands (ev): -71.0986 -71.0986 -71.0985 -71.0985 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7273 -39.7273 -39.6042 -39.6042 -39.6042 -39.6042 -14.2176 -14.2176 -14.2170 -14.2170 -3.2262 -3.2262 -3.2233 -3.2233 -1.9949 -1.9949 -1.9396 -1.9396 -1.6738 -1.6738 -1.6023 -1.6023 -1.3462 -1.3462 -1.3270 -1.3270 3.8511 3.8511 3.8578 3.8578 5.3042 5.3042 5.3109 5.3109 5.6039 5.6039 5.6298 5.6298 6.6155 6.6155 6.6173 6.6173 6.6327 6.6327 6.6403 6.6403 7.1201 7.1201 7.1482 7.1482 7.2236 7.2236 7.2438 7.2438 7.8480 7.8480 7.8558 7.8558 9.6850 9.6850 k = 0.4681 0.4681-0.0000 ( 16544 PWs) bands (ev): -71.0988 -71.0988 -71.0987 -71.0987 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7273 -39.7273 -39.6042 -39.6042 -39.6042 -39.6042 -14.2182 -14.2182 -14.2168 -14.2168 -3.2270 -3.2270 -3.2228 -3.2228 -2.0110 -2.0110 -1.9301 -1.9301 -1.6919 -1.6919 -1.5875 -1.5875 -1.3450 -1.3450 -1.3125 -1.3125 3.8540 3.8540 3.8650 3.8650 5.3016 5.3016 5.3117 5.3117 5.5959 5.5959 5.6343 5.6343 6.6130 6.6130 6.6172 6.6172 6.6321 6.6321 6.6418 6.6418 7.1074 7.1074 7.1527 7.1527 7.2223 7.2223 7.2585 7.2585 7.8495 7.8495 7.8631 7.8631 9.6596 9.6596 k = 0.4574 0.4574-0.0000 ( 16534 PWs) bands (ev): -71.0985 -71.0985 -71.0984 -71.0984 -40.8773 -40.8773 -40.8771 -40.8771 -39.7275 -39.7275 -39.7272 -39.7272 -39.6042 -39.6042 -39.6042 -39.6042 -14.2191 -14.2191 -14.2166 -14.2166 -3.2278 -3.2278 -3.2224 -3.2224 -2.0275 -2.0275 -1.9233 -1.9233 -1.7087 -1.7087 -1.5742 -1.5742 -1.3423 -1.3423 -1.2938 -1.2938 3.8585 3.8585 3.8746 3.8746 5.2989 5.2989 5.3124 5.3124 5.5880 5.5880 5.6381 5.6381 6.6094 6.6094 6.6176 6.6176 6.6345 6.6345 6.6453 6.6453 7.0970 7.0970 7.1633 7.1633 7.2211 7.2211 7.2767 7.2767 7.8485 7.8485 7.8759 7.8759 9.6275 9.6275 k = 0.4468 0.4468-0.0000 ( 16542 PWs) bands (ev): -71.0989 -71.0989 -71.0984 -71.0984 -40.8773 -40.8773 -40.8771 -40.8771 -39.7276 -39.7276 -39.7272 -39.7272 -39.6043 -39.6043 -39.6042 -39.6042 -14.2202 -14.2202 -14.2163 -14.2163 -3.2286 -3.2286 -3.2221 -3.2221 -2.0441 -2.0441 -1.9196 -1.9196 -1.7236 -1.7236 -1.5624 -1.5624 -1.3382 -1.3382 -1.2717 -1.2717 3.8640 3.8640 3.8865 3.8865 5.2955 5.2955 5.3130 5.3130 5.5796 5.5796 5.6407 5.6407 6.6022 6.6022 6.6144 6.6144 6.6366 6.6366 6.6466 6.6466 7.0886 7.0886 7.1727 7.1727 7.2199 7.2199 7.2980 7.2980 7.8487 7.8487 7.8878 7.8878 9.5899 9.5899 k = 0.4362 0.4362-0.0000 ( 16536 PWs) bands (ev): -71.0985 -71.0985 -71.0984 -71.0984 -40.8774 -40.8774 -40.8770 -40.8770 -39.7276 -39.7276 -39.7271 -39.7271 -39.6043 -39.6043 -39.6042 -39.6042 -14.2215 -14.2215 -14.2159 -14.2159 -3.2294 -3.2294 -3.2218 -3.2218 -2.0608 -2.0608 -1.9190 -1.9190 -1.7365 -1.7365 -1.5517 -1.5517 -1.3326 -1.3326 -1.2468 -1.2468 3.8710 3.8710 3.9010 3.9010 5.2919 5.2919 5.3133 5.3133 5.5711 5.5711 5.6421 5.6421 6.5965 6.5965 6.6119 6.6119 6.6415 6.6415 6.6518 6.6518 7.0778 7.0778 7.1874 7.1874 7.2175 7.2175 7.3216 7.3216 7.8502 7.8502 7.9031 7.9031 9.5482 9.5482 k = 0.4255 0.4255-0.0000 ( 16534 PWs) bands (ev): -71.0985 -71.0985 -71.0983 -71.0983 -40.8774 -40.8774 -40.8770 -40.8770 -39.7277 -39.7277 -39.7270 -39.7270 -39.6043 -39.6043 -39.6042 -39.6042 -14.2230 -14.2230 -14.2155 -14.2155 -3.2303 -3.2303 -3.2215 -3.2215 -2.0773 -2.0773 -1.9213 -1.9213 -1.7476 -1.7476 -1.5419 -1.5419 -1.3252 -1.3252 -1.2200 -1.2200 3.8796 3.8796 3.9181 3.9181 5.2879 5.2879 5.3137 5.3137 5.5624 5.5624 5.6423 5.6423 6.5905 6.5905 6.6080 6.6080 6.6457 6.6457 6.6577 6.6577 7.0668 7.0668 7.2042 7.2042 7.2181 7.2181 7.3412 7.3412 7.8495 7.8495 7.9252 7.9252 9.5031 9.5031 k = 0.4149 0.4149-0.0000 ( 16538 PWs) bands (ev): -71.0995 -71.0995 -71.0976 -71.0976 -40.8775 -40.8775 -40.8769 -40.8769 -39.7278 -39.7278 -39.7268 -39.7268 -39.6043 -39.6043 -39.6042 -39.6042 -14.2248 -14.2248 -14.2150 -14.2150 -3.2313 -3.2313 -3.2209 -3.2209 -2.0936 -2.0936 -1.9260 -1.9260 -1.7573 -1.7573 -1.5327 -1.5327 -1.3161 -1.3161 -1.1918 -1.1918 3.8891 3.8891 3.9376 3.9376 5.2824 5.2824 5.3144 5.3144 5.5528 5.5528 5.6413 5.6413 6.5832 6.5832 6.6029 6.6029 6.6531 6.6531 6.6645 6.6645 7.0596 7.0596 7.2104 7.2104 7.2252 7.2252 7.3635 7.3635 7.8486 7.8486 7.9473 7.9473 9.4554 9.4554 k = 0.4043 0.4043-0.0000 ( 16538 PWs) bands (ev): -71.0990 -71.0990 -71.0981 -71.0981 -40.8776 -40.8776 -40.8768 -40.8768 -39.7279 -39.7279 -39.7267 -39.7267 -39.6043 -39.6043 -39.6042 -39.6042 -14.2268 -14.2268 -14.2145 -14.2145 -3.2325 -3.2325 -3.2201 -3.2201 -2.1096 -2.1096 -1.9323 -1.9323 -1.7664 -1.7664 -1.5238 -1.5238 -1.3053 -1.3053 -1.1631 -1.1631 3.8994 3.8994 3.9596 3.9596 5.2765 5.2765 5.3152 5.3152 5.5430 5.5430 5.6388 5.6388 6.5758 6.5758 6.5972 6.5972 6.6616 6.6616 6.6741 6.6741 7.0523 7.0523 7.2080 7.2080 7.2439 7.2439 7.3900 7.3900 7.8502 7.8502 7.9685 7.9685 9.4064 9.4064 k = 0.3936 0.3936-0.0000 ( 16552 PWs) bands (ev): -71.0997 -71.0997 -71.0983 -71.0983 -40.8776 -40.8776 -40.8767 -40.8767 -39.7281 -39.7281 -39.7266 -39.7266 -39.6044 -39.6044 -39.6042 -39.6042 -14.2289 -14.2289 -14.2139 -14.2139 -3.2340 -3.2340 -3.2188 -3.2188 -2.1252 -2.1252 -1.9395 -1.9395 -1.7753 -1.7753 -1.5151 -1.5151 -1.2928 -1.2928 -1.1341 -1.1341 3.9110 3.9110 3.9839 3.9839 5.2693 5.2693 5.3162 5.3162 5.5320 5.5320 5.6352 5.6352 6.5679 6.5679 6.5922 6.5922 6.6702 6.6702 6.6841 6.6841 7.0444 7.0444 7.2044 7.2044 7.2621 7.2621 7.4143 7.4143 7.8494 7.8494 7.9926 7.9926 9.3566 9.3566 k = 0.3830 0.3830-0.0000 ( 16550 PWs) bands (ev): -71.0994 -71.0994 -71.0986 -71.0986 -40.8777 -40.8777 -40.8767 -40.8767 -39.7282 -39.7282 -39.7264 -39.7264 -39.6044 -39.6044 -39.6041 -39.6041 -14.2313 -14.2313 -14.2133 -14.2133 -3.2357 -3.2357 -3.2169 -3.2169 -2.1403 -2.1403 -1.9468 -1.9468 -1.7847 -1.7847 -1.5066 -1.5066 -1.2789 -1.2789 -1.1054 -1.1054 3.9237 3.9237 4.0111 4.0111 5.2616 5.2616 5.3182 5.3182 5.5207 5.5207 5.6306 5.6306 6.5601 6.5601 6.5897 6.5897 6.6797 6.6797 6.6942 6.6942 7.0385 7.0385 7.2007 7.2007 7.2884 7.2884 7.4407 7.4407 7.8527 7.8527 8.0172 8.0172 9.3077 9.3077 k = 0.3723 0.3723-0.0000 ( 16552 PWs) bands (ev): -71.0995 -71.0995 -71.0986 -71.0986 -40.8778 -40.8778 -40.8766 -40.8766 -39.7284 -39.7284 -39.7263 -39.7263 -39.6044 -39.6044 -39.6041 -39.6041 -14.2339 -14.2339 -14.2126 -14.2126 -3.2378 -3.2378 -3.2145 -3.2145 -2.1549 -2.1549 -1.9539 -1.9539 -1.7947 -1.7947 -1.4980 -1.4980 -1.2638 -1.2638 -1.0773 -1.0773 3.9374 3.9374 4.0403 4.0403 5.2526 5.2526 5.3207 5.3207 5.5081 5.5081 5.6250 5.6250 6.5515 6.5515 6.5890 6.5890 6.6917 6.6917 6.7054 6.7054 7.0341 7.0341 7.1975 7.1975 7.3136 7.3136 7.4678 7.4678 7.8534 7.8534 8.0427 8.0427 9.2611 9.2611 k = 0.3617 0.3617-0.0000 ( 16560 PWs) bands (ev): -71.0999 -71.0999 -71.0986 -71.0986 -40.8779 -40.8779 -40.8764 -40.8764 -39.7285 -39.7285 -39.7261 -39.7261 -39.6045 -39.6045 -39.6041 -39.6041 -14.2366 -14.2366 -14.2119 -14.2119 -3.2401 -3.2401 -3.2114 -3.2114 -2.1689 -2.1689 -1.9605 -1.9605 -1.8053 -1.8053 -1.4894 -1.4894 -1.2480 -1.2480 -1.0501 -1.0501 3.9522 3.9522 4.0720 4.0720 5.2426 5.2426 5.3239 5.3239 5.4942 5.4942 5.6187 5.6187 6.5421 6.5421 6.5908 6.5908 6.7042 6.7042 6.7154 6.7154 7.0303 7.0303 7.1939 7.1939 7.3404 7.3404 7.4943 7.4943 7.8533 7.8533 8.0680 8.0680 9.2186 9.2186 k = 0.3511 0.3511-0.0000 ( 16562 PWs) bands (ev): -71.1002 -71.1002 -71.0985 -71.0985 -40.8780 -40.8780 -40.8763 -40.8763 -39.7287 -39.7287 -39.7259 -39.7259 -39.6045 -39.6045 -39.6041 -39.6041 -14.2395 -14.2395 -14.2111 -14.2111 -3.2426 -3.2426 -3.2077 -3.2077 -2.1822 -2.1822 -1.9664 -1.9664 -1.8164 -1.8164 -1.4809 -1.4809 -1.2317 -1.2317 -1.0240 -1.0240 3.9679 3.9679 4.1058 4.1058 5.2315 5.2315 5.3280 5.3280 5.4789 5.4789 5.6120 5.6120 6.5303 6.5303 6.5960 6.5960 6.7185 6.7185 6.7292 6.7292 7.0289 7.0289 7.1917 7.1917 7.3698 7.3698 7.5218 7.5218 7.8530 7.8530 8.0898 8.0898 9.1819 9.1819 k = 0.3404 0.3404-0.0000 ( 16550 PWs) bands (ev): -71.0997 -71.0997 -71.0983 -71.0983 -40.8781 -40.8781 -40.8762 -40.8762 -39.7289 -39.7289 -39.7257 -39.7257 -39.6045 -39.6045 -39.6041 -39.6041 -14.2425 -14.2425 -14.2103 -14.2103 -3.2453 -3.2453 -3.2031 -3.2031 -2.1948 -2.1948 -1.9716 -1.9716 -1.8277 -1.8277 -1.4724 -1.4724 -1.2154 -1.2154 -0.9992 -0.9992 3.9849 3.9849 4.1418 4.1418 5.2194 5.2194 5.3333 5.3333 5.4625 5.4625 5.6056 5.6056 6.5204 6.5204 6.6032 6.6032 6.7345 6.7345 6.7447 6.7447 7.0310 7.0310 7.1865 7.1865 7.4023 7.4023 7.5527 7.5527 7.8525 7.8525 8.1121 8.1121 9.1537 9.1537 k = 0.3298 0.3298-0.0000 ( 16550 PWs) bands (ev): -71.0997 -71.0997 -71.0983 -71.0983 -40.8782 -40.8782 -40.8761 -40.8761 -39.7290 -39.7290 -39.7255 -39.7255 -39.6045 -39.6045 -39.6041 -39.6041 -14.2456 -14.2456 -14.2095 -14.2095 -3.2482 -3.2482 -3.1979 -3.1979 -2.2068 -2.2068 -1.9762 -1.9762 -1.8388 -1.8388 -1.4640 -1.4640 -1.1995 -1.1995 -0.9758 -0.9758 4.0029 4.0029 4.1800 4.1800 5.2060 5.2060 5.3388 5.3388 5.4447 5.4447 5.5987 5.5987 6.5081 6.5081 6.6123 6.6123 6.7504 6.7504 6.7605 6.7605 7.0321 7.0321 7.1829 7.1829 7.4349 7.4349 7.5815 7.5815 7.8522 7.8522 8.1294 8.1294 9.1355 9.1355 k = 0.3191 0.3191-0.0000 ( 16558 PWs) bands (ev): -71.1002 -71.1002 -71.0984 -71.0984 -40.8784 -40.8784 -40.8760 -40.8760 -39.7293 -39.7293 -39.7253 -39.7253 -39.6046 -39.6046 -39.6040 -39.6040 -14.2489 -14.2489 -14.2087 -14.2087 -3.2510 -3.2510 -3.1919 -3.1919 -2.2182 -2.2182 -1.9804 -1.9804 -1.8494 -1.8494 -1.4559 -1.4559 -1.1843 -1.1843 -0.9539 -0.9539 4.0217 4.0217 4.2200 4.2200 5.1914 5.1914 5.3439 5.3439 5.4261 5.4261 5.5918 5.5918 6.4945 6.4945 6.6226 6.6226 6.7671 6.7671 6.7776 6.7776 7.0356 7.0356 7.1796 7.1796 7.4655 7.4655 7.6116 7.6116 7.8484 7.8484 8.1409 8.1409 9.1291 9.1291 k = 0.3085 0.3085-0.0000 ( 16548 PWs) bands (ev): -71.0999 -71.0999 -71.0981 -71.0981 -40.8785 -40.8785 -40.8758 -40.8758 -39.7294 -39.7294 -39.7250 -39.7250 -39.6046 -39.6046 -39.6040 -39.6040 -14.2523 -14.2523 -14.2078 -14.2078 -3.2539 -3.2539 -3.1851 -3.1851 -2.2289 -2.2289 -1.9843 -1.9843 -1.8589 -1.8589 -1.4481 -1.4481 -1.1701 -1.1701 -0.9336 -0.9336 4.0419 4.0419 4.2625 4.2625 5.1757 5.1757 5.3479 5.3479 5.4088 5.4088 5.5855 5.5855 6.4828 6.4828 6.6372 6.6372 6.7842 6.7842 6.7956 6.7956 7.0399 7.0399 7.1762 7.1762 7.4988 7.4988 7.6423 7.6423 7.8507 7.8507 8.1493 8.1493 9.1363 9.1363 k = 0.2979 0.2979-0.0000 ( 16566 PWs) bands (ev): -71.1001 -71.1001 -71.0989 -71.0989 -40.8786 -40.8786 -40.8757 -40.8757 -39.7296 -39.7296 -39.7248 -39.7248 -39.6047 -39.6047 -39.6040 -39.6040 -14.2557 -14.2557 -14.2069 -14.2069 -3.2567 -3.2567 -3.1776 -3.1776 -2.2392 -2.2392 -1.9881 -1.9881 -1.8668 -1.8668 -1.4408 -1.4408 -1.1572 -1.1572 -0.9149 -0.9149 4.0626 4.0626 4.3066 4.3066 5.1584 5.1584 5.3464 5.3464 5.3959 5.3959 5.5795 5.5795 6.4677 6.4677 6.6507 6.6507 6.8004 6.8004 6.8129 6.8129 7.0434 7.0434 7.1705 7.1705 7.5302 7.5302 7.6728 7.6728 7.8498 7.8498 8.1492 8.1492 9.1565 9.1565 k = 0.2872 0.2872-0.0000 ( 16564 PWs) bands (ev): -71.1000 -71.1000 -71.0989 -71.0989 -40.8787 -40.8787 -40.8756 -40.8756 -39.7299 -39.7299 -39.7246 -39.7246 -39.6047 -39.6047 -39.6040 -39.6040 -14.2593 -14.2593 -14.2060 -14.2060 -3.2594 -3.2594 -3.1694 -3.1694 -2.2490 -2.2490 -1.9921 -1.9921 -1.8727 -1.8727 -1.4342 -1.4342 -1.1458 -1.1458 -0.8978 -0.8978 4.0843 4.0843 4.3525 4.3525 5.1399 5.1399 5.3359 5.3359 5.3929 5.3929 5.5747 5.5747 6.4543 6.4543 6.6688 6.6688 6.8183 6.8183 6.8324 6.8324 7.0498 7.0498 7.1670 7.1670 7.5626 7.5626 7.7045 7.7045 7.8476 7.8476 8.1466 8.1466 9.1898 9.1898 k = 0.2766 0.2766-0.0000 ( 16576 PWs) bands (ev): -71.1002 -71.1002 -71.0994 -71.0994 -40.8789 -40.8789 -40.8754 -40.8754 -39.7301 -39.7301 -39.7244 -39.7244 -39.6047 -39.6047 -39.6040 -39.6040 -14.2629 -14.2629 -14.2051 -14.2051 -3.2619 -3.2619 -3.1605 -3.1605 -2.2584 -2.2584 -1.9963 -1.9963 -1.8764 -1.8764 -1.4284 -1.4284 -1.1360 -1.1360 -0.8823 -0.8823 4.1065 4.1065 4.4000 4.4000 5.1199 5.1199 5.3181 5.3181 5.3968 5.3968 5.5707 5.5707 6.4401 6.4401 6.6876 6.6876 6.8351 6.8351 6.8517 6.8517 7.0539 7.0539 7.1622 7.1622 7.5930 7.5930 7.7356 7.7356 7.8464 7.8464 8.1385 8.1385 9.2337 9.2337 k = 0.2660 0.2660-0.0000 ( 16562 PWs) bands (ev): -71.1001 -71.1001 -71.0988 -71.0988 -40.8790 -40.8790 -40.8753 -40.8753 -39.7303 -39.7303 -39.7241 -39.7241 -39.6048 -39.6048 -39.6039 -39.6039 -14.2665 -14.2665 -14.2041 -14.2041 -3.2641 -3.2641 -3.1509 -3.1509 -2.2676 -2.2676 -2.0006 -2.0006 -1.8776 -1.8776 -1.4236 -1.4236 -1.1280 -1.1280 -0.8683 -0.8683 4.1292 4.1292 4.4492 4.4492 5.0989 5.0989 5.2984 5.2984 5.4037 5.4037 5.5685 5.5685 6.4272 6.4272 6.7105 6.7105 6.8531 6.8531 6.8736 6.8736 7.0639 7.0639 7.1620 7.1620 7.6234 7.6234 7.7684 7.7684 7.8452 7.8452 8.1298 8.1298 9.2772 9.2772 k = 0.2553 0.2553-0.0000 ( 16566 PWs) bands (ev): -71.1006 -71.1006 -71.0986 -71.0986 -40.8791 -40.8791 -40.8751 -40.8751 -39.7305 -39.7305 -39.7239 -39.7239 -39.6048 -39.6048 -39.6039 -39.6039 -14.2701 -14.2701 -14.2032 -14.2032 -3.2660 -3.2660 -3.1407 -3.1407 -2.2765 -2.2765 -2.0049 -2.0049 -1.8765 -1.8765 -1.4202 -1.4202 -1.1218 -1.1218 -0.8558 -0.8558 4.1517 4.1517 4.4995 4.4995 5.0767 5.0767 5.2785 5.2785 5.4108 5.4108 5.5673 5.5673 6.4143 6.4143 6.7328 6.7328 6.8689 6.8689 6.8950 6.8950 7.0736 7.0736 7.1603 7.1603 7.6495 7.6495 7.8004 7.8004 7.8420 7.8420 8.1190 8.1190 9.2634 9.2634 k = 0.2447 0.2447-0.0000 ( 16556 PWs) bands (ev): -71.0999 -71.0999 -71.0987 -71.0987 -40.8792 -40.8792 -40.8750 -40.8750 -39.7307 -39.7307 -39.7236 -39.7236 -39.6048 -39.6048 -39.6039 -39.6039 -14.2738 -14.2738 -14.2023 -14.2023 -3.2676 -3.2676 -3.1299 -3.1299 -2.2852 -2.2852 -2.0090 -2.0090 -1.8732 -1.8732 -1.4182 -1.4182 -1.1174 -1.1174 -0.8448 -0.8448 4.1737 4.1737 4.5511 4.5511 5.0543 5.0543 5.2597 5.2597 5.4178 5.4178 5.5690 5.5690 6.4000 6.4000 6.7572 6.7572 6.8888 6.8888 6.9174 6.9174 7.0830 7.0830 7.1601 7.1601 7.6746 7.6746 7.8328 7.8328 7.8435 7.8435 8.1080 8.1080 9.2271 9.2271 k = 0.2340 0.2340-0.0000 ( 16564 PWs) bands (ev): -71.1001 -71.1001 -71.0990 -71.0990 -40.8794 -40.8794 -40.8749 -40.8749 -39.7309 -39.7309 -39.7234 -39.7234 -39.6048 -39.6048 -39.6039 -39.6039 -14.2775 -14.2775 -14.2014 -14.2014 -3.2688 -3.2688 -3.1188 -3.1188 -2.2936 -2.2936 -2.0124 -2.0124 -1.8679 -1.8679 -1.4180 -1.4180 -1.1147 -1.1147 -0.8351 -0.8351 4.1944 4.1944 4.6038 4.6038 5.0322 5.0322 5.2423 5.2423 5.4233 5.4233 5.5721 5.5721 6.3849 6.3849 6.7840 6.7840 6.9009 6.9009 6.9363 6.9363 7.0910 7.0910 7.1630 7.1630 7.6958 7.6958 7.8396 7.8396 7.8675 7.8675 8.0979 8.0979 9.1873 9.1873 k = 0.2234 0.2234-0.0000 ( 16558 PWs) bands (ev): -71.1002 -71.1002 -71.0985 -71.0985 -40.8795 -40.8795 -40.8747 -40.8747 -39.7312 -39.7312 -39.7232 -39.7232 -39.6049 -39.6049 -39.6038 -39.6038 -14.2811 -14.2811 -14.2005 -14.2005 -3.2696 -3.2696 -3.1072 -3.1072 -2.3017 -2.3017 -2.0151 -2.0151 -1.8607 -1.8607 -1.4197 -1.4197 -1.1137 -1.1137 -0.8266 -0.8266 4.2132 4.2132 4.6566 4.6566 5.0121 5.0121 5.2269 5.2269 5.4282 5.4282 5.5775 5.5775 6.3716 6.3716 6.8127 6.8127 6.9116 6.9116 6.9571 6.9571 7.1040 7.1040 7.1664 7.1664 7.7133 7.7133 7.8372 7.8372 7.9029 7.9029 8.0903 8.0903 9.1455 9.1455 k = 0.2128 0.2128-0.0000 ( 16542 PWs) bands (ev): -71.0995 -71.0995 -71.0983 -71.0983 -40.8796 -40.8796 -40.8746 -40.8746 -39.7313 -39.7313 -39.7229 -39.7229 -39.6049 -39.6049 -39.6038 -39.6038 -14.2847 -14.2847 -14.1996 -14.1996 -3.2700 -3.2700 -3.0954 -3.0954 -2.3094 -2.3094 -2.0168 -2.0168 -1.8520 -1.8520 -1.4235 -1.4235 -1.1142 -1.1142 -0.8193 -0.8193 4.2291 4.2291 4.7091 4.7091 4.9957 4.9957 5.2138 5.2138 5.4321 5.4321 5.5865 5.5865 6.3579 6.3579 6.8409 6.8409 6.9238 6.9238 6.9790 6.9790 7.1178 7.1178 7.1714 7.1714 7.7274 7.7274 7.8349 7.8349 7.9399 7.9399 8.0856 8.0856 9.1024 9.1024 k = 0.2021 0.2021-0.0000 ( 16530 PWs) bands (ev): -71.0995 -71.0995 -71.0976 -71.0976 -40.8797 -40.8797 -40.8744 -40.8744 -39.7316 -39.7316 -39.7227 -39.7227 -39.6049 -39.6049 -39.6038 -39.6038 -14.2882 -14.2882 -14.1987 -14.1987 -3.2700 -3.2700 -3.0835 -3.0835 -2.3165 -2.3165 -2.0175 -2.0175 -1.8419 -1.8419 -1.4296 -1.4296 -1.1162 -1.1162 -0.8130 -0.8130 4.2412 4.2412 4.7601 4.7601 4.9849 4.9849 5.2028 5.2028 5.4341 5.4341 5.5962 5.5962 6.3482 6.3482 6.8729 6.8729 6.9322 6.9322 6.9995 6.9995 7.1294 7.1294 7.1772 7.1772 7.7370 7.7370 7.8312 7.8312 7.9756 7.9756 8.0836 8.0836 9.0580 9.0580 k = 0.1915 0.1915-0.0000 ( 16534 PWs) bands (ev): -71.0995 -71.0995 -71.0979 -71.0979 -40.8799 -40.8799 -40.8743 -40.8743 -39.7318 -39.7318 -39.7225 -39.7225 -39.6049 -39.6049 -39.6037 -39.6037 -14.2916 -14.2916 -14.1978 -14.1978 -3.2695 -3.2695 -3.0715 -3.0715 -2.3230 -2.3230 -2.0172 -2.0172 -1.8305 -1.8305 -1.4381 -1.4381 -1.1197 -1.1197 -0.8075 -0.8075 4.2483 4.2483 4.8075 4.8075 4.9825 4.9825 5.1938 5.1938 5.4346 5.4346 5.6076 5.6076 6.3336 6.3336 6.9019 6.9019 6.9379 6.9379 7.0183 7.0183 7.1402 7.1402 7.1861 7.1861 7.7406 7.7406 7.8270 7.8270 8.0110 8.0110 8.0840 8.0840 9.0128 9.0128 k = 0.1809 0.1809-0.0000 ( 16522 PWs) bands (ev): -71.0990 -71.0990 -71.0977 -71.0977 -40.8800 -40.8800 -40.8742 -40.8742 -39.7319 -39.7319 -39.7222 -39.7222 -39.6049 -39.6049 -39.6037 -39.6037 -14.2950 -14.2950 -14.1970 -14.1970 -3.2687 -3.2687 -3.0597 -3.0597 -2.3286 -2.3286 -2.0159 -2.0159 -1.8179 -1.8179 -1.4489 -1.4489 -1.1246 -1.1246 -0.8028 -0.8028 4.2501 4.2501 4.8477 4.8477 4.9930 4.9930 5.1874 5.1874 5.4358 5.4358 5.6197 5.6197 6.3214 6.3214 6.9303 6.9303 6.9427 6.9427 7.0372 7.0372 7.1536 7.1536 7.1980 7.1980 7.7394 7.7394 7.8235 7.8235 8.0491 8.0491 8.0903 8.0903 8.9671 8.9671 k = 0.1702 0.1702-0.0000 ( 16520 PWs) bands (ev): -71.0990 -71.0990 -71.0976 -71.0976 -40.8801 -40.8801 -40.8741 -40.8741 -39.7321 -39.7321 -39.7220 -39.7220 -39.6050 -39.6050 -39.6037 -39.6037 -14.2983 -14.2983 -14.1962 -14.1962 -3.2675 -3.2675 -3.0481 -3.0481 -2.3332 -2.3332 -2.0135 -2.0135 -1.8042 -1.8042 -1.4621 -1.4621 -1.1310 -1.1310 -0.7986 -0.7986 4.2461 4.2461 4.8776 4.8776 5.0190 5.0190 5.1837 5.1837 5.4357 5.4357 5.6323 5.6323 6.3089 6.3089 6.9395 6.9395 6.9632 6.9632 7.0542 7.0542 7.1667 7.1667 7.2108 7.2108 7.7333 7.7333 7.8177 7.8177 8.0800 8.0800 8.1065 8.1065 8.9212 8.9212 k = 0.1596 0.1596-0.0000 ( 16524 PWs) bands (ev): -71.0993 -71.0993 -71.0976 -71.0976 -40.8802 -40.8802 -40.8739 -40.8739 -39.7323 -39.7323 -39.7218 -39.7218 -39.6050 -39.6050 -39.6037 -39.6037 -14.3014 -14.3014 -14.1955 -14.1955 -3.2659 -3.2659 -3.0368 -3.0368 -2.3367 -2.3367 -2.0103 -2.0103 -1.7894 -1.7894 -1.4774 -1.4774 -1.1389 -1.1389 -0.7949 -0.7949 4.2366 4.2366 4.8985 4.8985 5.0582 5.0582 5.1831 5.1831 5.4349 5.4349 5.6452 5.6452 6.2971 6.2971 6.9352 6.9352 6.9925 6.9925 7.0694 7.0694 7.1803 7.1803 7.2243 7.2243 7.7232 7.7232 7.8102 7.8102 8.0984 8.0984 8.1390 8.1390 8.8752 8.8752 k = 0.1489 0.1489-0.0000 ( 16532 PWs) bands (ev): -71.0991 -71.0991 -71.0982 -71.0982 -40.8803 -40.8803 -40.8738 -40.8738 -39.7325 -39.7325 -39.7216 -39.7216 -39.6050 -39.6050 -39.6037 -39.6037 -14.3044 -14.3044 -14.1947 -14.1947 -3.2641 -3.2641 -3.0261 -3.0261 -2.3389 -2.3389 -2.0063 -2.0063 -1.7737 -1.7737 -1.4948 -1.4948 -1.1483 -1.1483 -0.7914 -0.7914 4.2225 4.2225 4.9148 4.9148 5.1048 5.1048 5.1865 5.1865 5.4343 5.4343 5.6587 5.6587 6.2830 6.2830 6.9292 6.9292 7.0211 7.0211 7.0826 7.0826 7.1923 7.1923 7.2379 7.2379 7.7099 7.7099 7.8023 7.8023 8.1147 8.1147 8.1789 8.1789 8.8300 8.8300 k = 0.1383 0.1383-0.0000 ( 16522 PWs) bands (ev): -71.0985 -71.0985 -71.0983 -71.0983 -40.8804 -40.8804 -40.8737 -40.8737 -39.7327 -39.7327 -39.7215 -39.7215 -39.6050 -39.6050 -39.6036 -39.6036 -14.3073 -14.3073 -14.1940 -14.1940 -3.2621 -3.2621 -3.0159 -3.0159 -2.3399 -2.3399 -2.0014 -2.0014 -1.7570 -1.7570 -1.5139 -1.5139 -1.1593 -1.1593 -0.7881 -0.7881 4.2046 4.2046 4.9295 4.9295 5.1536 5.1536 5.1951 5.1951 5.4354 5.4354 5.6721 5.6721 6.2729 6.2729 6.9207 6.9207 7.0492 7.0492 7.0968 7.0968 7.2043 7.2043 7.2530 7.2530 7.6937 7.6937 7.7961 7.7961 8.1351 8.1351 8.2243 8.2243 8.7859 8.7859 k = 0.1277 0.1277-0.0000 ( 16504 PWs) bands (ev): -71.0982 -71.0982 -71.0975 -71.0975 -40.8805 -40.8805 -40.8736 -40.8736 -39.7328 -39.7328 -39.7213 -39.7213 -39.6050 -39.6050 -39.6036 -39.6036 -14.3100 -14.3100 -14.1934 -14.1934 -3.2599 -3.2599 -3.0063 -3.0063 -2.3395 -2.3395 -1.9959 -1.9959 -1.7395 -1.7395 -1.5346 -1.5346 -1.1719 -1.1719 -0.7848 -0.7848 4.1843 4.1843 4.9425 4.9425 5.1933 5.1933 5.2174 5.2174 5.4356 5.4356 5.6856 5.6856 6.2645 6.2645 6.9104 6.9104 7.0758 7.0758 7.1141 7.1141 7.2206 7.2206 7.2712 7.2712 7.6755 7.6755 7.7871 7.7871 8.1585 8.1585 8.2701 8.2701 8.7433 8.7433 k = 0.1170 0.1170-0.0000 ( 16500 PWs) bands (ev): -71.0978 -71.0978 -71.0977 -71.0977 -40.8806 -40.8806 -40.8735 -40.8735 -39.7330 -39.7330 -39.7211 -39.7211 -39.6050 -39.6050 -39.6036 -39.6036 -14.3125 -14.3125 -14.1928 -14.1928 -3.2575 -3.2575 -2.9975 -2.9975 -2.3379 -2.3379 -1.9898 -1.9898 -1.7212 -1.7212 -1.5564 -1.5564 -1.1862 -1.1862 -0.7816 -0.7816 4.1621 4.1621 4.9536 4.9536 5.2134 5.2134 5.2622 5.2622 5.4366 5.4366 5.6993 5.6993 6.2532 6.2532 6.8988 6.8988 7.0957 7.0957 7.1316 7.1316 7.2329 7.2329 7.2890 7.2890 7.6550 7.6550 7.7780 7.7780 8.1840 8.1840 8.3180 8.3180 8.7030 8.7030 k = 0.1064 0.1064-0.0000 ( 16496 PWs) bands (ev): -71.0977 -71.0977 -71.0976 -71.0976 -40.8807 -40.8807 -40.8734 -40.8734 -39.7331 -39.7331 -39.7210 -39.7210 -39.6051 -39.6051 -39.6036 -39.6036 -14.3149 -14.3149 -14.1922 -14.1922 -3.2552 -3.2552 -2.9895 -2.9895 -2.3352 -2.3352 -1.9831 -1.9831 -1.7022 -1.7022 -1.5790 -1.5790 -1.2019 -1.2019 -0.7785 -0.7785 4.1394 4.1394 4.9628 4.9628 5.2321 5.2321 5.3097 5.3097 5.4369 5.4369 5.7133 5.7133 6.2445 6.2445 6.8847 6.8847 7.1104 7.1104 7.1540 7.1540 7.2438 7.2438 7.3072 7.3072 7.6334 7.6334 7.7682 7.7682 8.2137 8.2137 8.3657 8.3657 8.6649 8.6649 k = 0.0957 0.0957-0.0000 ( 16500 PWs) bands (ev): -71.0979 -71.0979 -71.0977 -71.0977 -40.8807 -40.8807 -40.8733 -40.8733 -39.7332 -39.7332 -39.7208 -39.7208 -39.6051 -39.6051 -39.6035 -39.6035 -14.3170 -14.3170 -14.1917 -14.1917 -3.2529 -3.2529 -2.9823 -2.9823 -2.3314 -2.3314 -1.9758 -1.9758 -1.6827 -1.6827 -1.6019 -1.6019 -1.2191 -1.2191 -0.7753 -0.7753 4.1168 4.1168 4.9695 4.9695 5.2515 5.2515 5.3546 5.3546 5.4393 5.4393 5.7277 5.7277 6.2370 6.2370 6.8671 6.8671 7.1206 7.1206 7.1779 7.1779 7.2533 7.2533 7.3242 7.3242 7.6107 7.6107 7.7566 7.7566 8.2452 8.2452 8.4168 8.4168 8.6291 8.6291 k = 0.0851 0.0851-0.0000 ( 16508 PWs) bands (ev): -71.0983 -71.0983 -71.0977 -71.0977 -40.8808 -40.8808 -40.8733 -40.8733 -39.7334 -39.7334 -39.7207 -39.7207 -39.6051 -39.6051 -39.6035 -39.6035 -14.3190 -14.3190 -14.1912 -14.1912 -3.2506 -3.2506 -2.9759 -2.9759 -2.3269 -2.3269 -1.9681 -1.9681 -1.6636 -1.6636 -1.6241 -1.6241 -1.2376 -1.2376 -0.7723 -0.7723 4.0950 4.0950 4.9742 4.9742 5.2712 5.2712 5.3954 5.3954 5.4421 5.4421 5.7425 5.7425 6.2278 6.2278 6.8498 6.8498 7.1280 7.1280 7.2007 7.2007 7.2658 7.2658 7.3435 7.3435 7.5860 7.5860 7.7429 7.7429 8.2802 8.2802 8.4678 8.4678 8.5970 8.5970 k = 0.0745 0.0745-0.0000 ( 16521 PWs) bands (ev): -71.0984 -71.0984 -71.0983 -71.0983 -40.8809 -40.8809 -40.8732 -40.8732 -39.7335 -39.7335 -39.7206 -39.7206 -39.6051 -39.6051 -39.6035 -39.6035 -14.3208 -14.3208 -14.1908 -14.1908 -3.2485 -3.2485 -2.9703 -2.9703 -2.3219 -2.3219 -1.9599 -1.9599 -1.6557 -1.6557 -1.6343 -1.6343 -1.2570 -1.2570 -0.7694 -0.7694 4.0746 4.0746 4.9780 4.9780 5.2909 5.2909 5.4288 5.4288 5.4503 5.4503 5.7582 5.7582 6.2172 6.2172 6.8318 6.8318 7.1323 7.1323 7.2226 7.2226 7.2727 7.2727 7.3611 7.3611 7.5616 7.5616 7.7281 7.7281 8.3187 8.3187 8.5198 8.5198 8.5702 8.5702 k = 0.0638 0.0638-0.0000 ( 16519 PWs) bands (ev): -71.0985 -71.0985 -71.0981 -71.0981 -40.8809 -40.8809 -40.8732 -40.8732 -39.7335 -39.7335 -39.7205 -39.7205 -39.6051 -39.6051 -39.6035 -39.6035 -14.3223 -14.3223 -14.1905 -14.1905 -3.2465 -3.2465 -2.9655 -2.9655 -2.3166 -2.3166 -1.9513 -1.9513 -1.6740 -1.6740 -1.6175 -1.6175 -1.2772 -1.2772 -0.7667 -0.7667 4.0561 4.0561 4.9807 4.9807 5.3082 5.3082 5.4456 5.4456 5.4710 5.4710 5.7744 5.7744 6.2100 6.2100 6.8144 6.8144 7.1374 7.1374 7.2436 7.2436 7.2835 7.2835 7.3799 7.3799 7.5371 7.5371 7.7182 7.7182 8.3590 8.3590 8.5367 8.5367 8.5827 8.5827 k = 0.0532 0.0532-0.0000 ( 16535 PWs) bands (ev): -71.0990 -71.0990 -71.0985 -71.0985 -40.8810 -40.8810 -40.8731 -40.8731 -39.7336 -39.7336 -39.7204 -39.7204 -39.6052 -39.6052 -39.6035 -39.6035 -14.3236 -14.3236 -14.1902 -14.1902 -3.2448 -3.2448 -2.9615 -2.9615 -2.3114 -2.3114 -1.9426 -1.9426 -1.6947 -1.6947 -1.5972 -1.5972 -1.2976 -1.2976 -0.7643 -0.7643 4.0399 4.0399 4.9821 4.9821 5.3227 5.3227 5.4542 5.4542 5.4953 5.4953 5.7910 5.7910 6.2029 6.2029 6.7946 6.7946 7.1407 7.1407 7.2634 7.2634 7.2910 7.2910 7.3933 7.3933 7.5139 7.5139 7.7042 7.7042 8.4017 8.4017 8.5164 8.5164 8.6340 8.6340 k = 0.0426 0.0426-0.0000 ( 16535 PWs) bands (ev): -71.0990 -71.0990 -71.0985 -71.0985 -40.8810 -40.8810 -40.8731 -40.8731 -39.7337 -39.7337 -39.7204 -39.7204 -39.6052 -39.6052 -39.6035 -39.6035 -14.3247 -14.3247 -14.1899 -14.1899 -3.2433 -3.2433 -2.9583 -2.9583 -2.3066 -2.3066 -1.9339 -1.9339 -1.7140 -1.7140 -1.5771 -1.5771 -1.3178 -1.3178 -0.7622 -0.7622 4.0265 4.0265 4.9835 4.9835 5.3344 5.3344 5.4622 5.4622 5.5156 5.5156 5.8074 5.8074 6.1956 6.1956 6.7787 6.7787 7.1449 7.1449 7.2824 7.2824 7.3005 7.3005 7.4056 7.4056 7.4950 7.4950 7.6907 7.6907 8.4452 8.4452 8.4995 8.4995 8.6841 8.6841 k = 0.0319 0.0319-0.0000 ( 16523 PWs) bands (ev): -71.0985 -71.0985 -71.0983 -71.0983 -40.8811 -40.8811 -40.8730 -40.8730 -39.7337 -39.7337 -39.7203 -39.7203 -39.6052 -39.6052 -39.6035 -39.6035 -14.3255 -14.3255 -14.1897 -14.1897 -3.2422 -3.2422 -2.9558 -2.9558 -2.3025 -2.3025 -1.9257 -1.9257 -1.7309 -1.7309 -1.5583 -1.5583 -1.3366 -1.3366 -0.7605 -0.7605 4.0160 4.0160 4.9846 4.9846 5.3432 5.3432 5.4699 5.4699 5.5312 5.5312 5.8222 5.8222 6.1937 6.1937 6.7660 6.7660 7.1493 7.1493 7.2949 7.2949 7.3133 7.3133 7.4143 7.4143 7.4807 7.4807 7.6796 7.6796 8.4785 8.4785 8.4970 8.4970 8.7260 8.7260 k = 0.0213 0.0213-0.0000 ( 16533 PWs) bands (ev): -71.0993 -71.0993 -71.0981 -71.0981 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6052 -39.6052 -39.6035 -39.6035 -14.3261 -14.3261 -14.1896 -14.1896 -3.2413 -3.2413 -2.9541 -2.9541 -2.2993 -2.2993 -1.9187 -1.9187 -1.7443 -1.7443 -1.5421 -1.5421 -1.3528 -1.3528 -0.7592 -0.7592 4.0081 4.0081 4.9854 4.9854 5.3493 5.3493 5.4766 5.4766 5.5416 5.5416 5.8335 5.8335 6.1872 6.1872 6.7554 6.7554 7.1493 7.1493 7.2977 7.2977 7.3289 7.3289 7.4124 7.4124 7.4716 7.4716 7.6698 7.6698 8.4731 8.4731 8.5341 8.5341 8.7504 8.7504 k = 0.0106 0.0106-0.0000 ( 16533 PWs) bands (ev): -71.0995 -71.0995 -71.0979 -71.0979 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6052 -39.6052 -39.6035 -39.6035 -14.3265 -14.3265 -14.1895 -14.1895 -3.2408 -3.2408 -2.9530 -2.9530 -2.2973 -2.2973 -1.9139 -1.9139 -1.7531 -1.7531 -1.5307 -1.5307 -1.3643 -1.3643 -0.7584 -0.7584 4.0037 4.0037 4.9860 4.9860 5.3529 5.3529 5.4811 5.4811 5.5481 5.5481 5.8412 5.8412 6.1819 6.1819 6.7487 6.7487 7.1506 7.1506 7.2965 7.2965 7.3432 7.3432 7.4081 7.4081 7.4707 7.4707 7.6653 7.6653 8.4673 8.4673 8.5661 8.5661 8.7538 8.7538 k = 0.0000 0.0000 0.0000 ( 16547 PWs) bands (ev): -71.1001 -71.1001 -71.0981 -71.0981 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6052 -39.6052 -39.6035 -39.6035 -14.3266 -14.3266 -14.1894 -14.1894 -3.2407 -3.2407 -2.9527 -2.9527 -2.2967 -2.2967 -1.9122 -1.9122 -1.7562 -1.7562 -1.5265 -1.5265 -1.3685 -1.3685 -0.7582 -0.7582 4.0022 4.0022 4.9860 4.9860 5.3535 5.3535 5.4819 5.4819 5.5497 5.5497 5.8433 5.8433 6.1798 6.1798 6.7461 6.7461 7.1516 7.1516 7.2953 7.2953 7.3493 7.3493 7.4014 7.4014 7.4678 7.4678 7.6627 7.6627 8.4651 8.4651 8.5794 8.5794 8.7494 8.7494 k = 0.0000 0.0000 0.0000 ( 16547 PWs) bands (ev): -71.1001 -71.1001 -71.0981 -71.0981 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6052 -39.6052 -39.6035 -39.6035 -14.3266 -14.3266 -14.1894 -14.1894 -3.2407 -3.2407 -2.9527 -2.9527 -2.2967 -2.2967 -1.9122 -1.9122 -1.7562 -1.7562 -1.5265 -1.5265 -1.3685 -1.3685 -0.7582 -0.7582 4.0022 4.0022 4.9860 4.9860 5.3535 5.3535 5.4819 5.4819 5.5497 5.5497 5.8433 5.8433 6.1798 6.1798 6.7461 6.7461 7.1516 7.1516 7.2953 7.2953 7.3493 7.3493 7.4014 7.4014 7.4678 7.4678 7.6627 7.6627 8.4651 8.4651 8.5794 8.5794 8.7494 8.7494 k = 0.0000 0.0000 0.0149 ( 16547 PWs) bands (ev): -71.1005 -71.1005 -71.0976 -71.0976 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6052 -39.6052 -39.6035 -39.6035 -14.3266 -14.3266 -14.1894 -14.1894 -3.2405 -3.2405 -2.9534 -2.9534 -2.2963 -2.2963 -1.9125 -1.9125 -1.7562 -1.7562 -1.5252 -1.5252 -1.3685 -1.3685 -0.7588 -0.7588 4.0007 4.0007 4.9847 4.9847 5.3538 5.3538 5.4832 5.4832 5.5492 5.5492 5.8426 5.8426 6.1811 6.1811 6.7474 6.7474 7.1452 7.1452 7.2946 7.2946 7.3549 7.3549 7.3995 7.3995 7.4658 7.4658 7.6636 7.6636 8.4624 8.4624 8.5847 8.5847 8.7523 8.7523 k = 0.0000 0.0000 0.0298 ( 16531 PWs) bands (ev): -71.0994 -71.0994 -71.0979 -71.0979 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6052 -39.6052 -39.6035 -39.6035 -14.3266 -14.3266 -14.1895 -14.1895 -3.2398 -3.2398 -2.9558 -2.9558 -2.2950 -2.2950 -1.9134 -1.9134 -1.7562 -1.7562 -1.5211 -1.5211 -1.3685 -1.3685 -0.7608 -0.7608 3.9972 3.9972 4.9800 4.9800 5.3519 5.3519 5.4830 5.4830 5.5490 5.5490 5.8426 5.8426 6.1875 6.1875 6.7494 6.7494 7.1332 7.1332 7.2999 7.2999 7.3697 7.3697 7.4047 7.4047 7.4698 7.4698 7.6630 7.6630 8.4528 8.4528 8.6003 8.6003 8.7553 8.7553 k = 0.0000 0.0000 0.0447 ( 16524 PWs) bands (ev): -71.1000 -71.1000 -71.0970 -71.0970 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6051 -39.6051 -39.6035 -39.6035 -14.3266 -14.3266 -14.1895 -14.1895 -3.2388 -3.2388 -2.9595 -2.9595 -2.2930 -2.2930 -1.9149 -1.9149 -1.7561 -1.7561 -1.5143 -1.5143 -1.3685 -1.3685 -0.7641 -0.7641 3.9922 3.9922 4.9735 4.9735 5.3512 5.3512 5.4856 5.4856 5.5479 5.5479 5.8413 5.8413 6.1832 6.1832 6.7546 6.7546 7.1181 7.1181 7.2995 7.2995 7.3885 7.3885 7.4102 7.4102 7.4696 7.4696 7.6632 7.6632 8.4386 8.4386 8.6255 8.6255 8.7649 8.7649 k = 0.0000 0.0000 0.0596 ( 16540 PWs) bands (ev): -71.1000 -71.1000 -71.0979 -71.0979 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6051 -39.6051 -39.6035 -39.6035 -14.3266 -14.3266 -14.1895 -14.1895 -3.2374 -3.2374 -2.9647 -2.9647 -2.2904 -2.2904 -1.9169 -1.9169 -1.7561 -1.7561 -1.5052 -1.5052 -1.3686 -1.3686 -0.7686 -0.7686 3.9857 3.9857 4.9629 4.9629 5.3467 5.3467 5.4842 5.4842 5.5463 5.5463 5.8396 5.8396 6.1831 6.1831 6.7582 6.7582 7.1039 7.1039 7.2994 7.2994 7.3966 7.3966 7.4309 7.4309 7.4696 7.4696 7.6606 7.6606 8.4175 8.4175 8.6582 8.6582 8.7735 8.7735 k = 0.0000 0.0000 0.0746 ( 16548 PWs) bands (ev): -71.0995 -71.0995 -71.0989 -71.0989 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6052 -39.6052 -39.6035 -39.6035 -14.3265 -14.3265 -14.1895 -14.1895 -3.2356 -3.2356 -2.9710 -2.9710 -2.2872 -2.2872 -1.9193 -1.9193 -1.7561 -1.7561 -1.4937 -1.4937 -1.3686 -1.3686 -0.7744 -0.7744 3.9778 3.9778 4.9498 4.9498 5.3421 5.3421 5.4833 5.4833 5.5445 5.5445 5.8377 5.8377 6.1851 6.1851 6.7620 6.7620 7.0904 7.0904 7.3013 7.3013 7.3994 7.3994 7.4610 7.4610 7.4706 7.4706 7.6587 7.6587 8.3922 8.3922 8.6933 8.6933 8.7919 8.7919 k = 0.0000 0.0000 0.0895 ( 16540 PWs) bands (ev): -71.0991 -71.0991 -71.0988 -71.0988 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6052 -39.6052 -39.6035 -39.6035 -14.3265 -14.3265 -14.1896 -14.1896 -3.2334 -3.2334 -2.9783 -2.9783 -2.2836 -2.2836 -1.9220 -1.9220 -1.7560 -1.7560 -1.4803 -1.4803 -1.3687 -1.3687 -0.7813 -0.7813 3.9690 3.9690 4.9355 4.9355 5.3390 5.3390 5.4845 5.4845 5.5427 5.5427 5.8358 5.8358 6.1855 6.1855 6.7653 6.7653 7.0785 7.0785 7.3026 7.3026 7.4032 7.4032 7.4737 7.4737 7.4950 7.4950 7.6594 7.6594 8.3633 8.3633 8.7234 8.7234 8.8295 8.8295 k = 0.0000 0.0000 0.1044 ( 16540 PWs) bands (ev): -71.0991 -71.0991 -71.0988 -71.0988 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6052 -39.6052 -39.6035 -39.6035 -14.3265 -14.3265 -14.1896 -14.1896 -3.2309 -3.2309 -2.9864 -2.9864 -2.2796 -2.2796 -1.9250 -1.9250 -1.7560 -1.7560 -1.4651 -1.4651 -1.3687 -1.3687 -0.7893 -0.7893 3.9589 3.9589 4.9193 4.9193 5.3361 5.3361 5.4859 5.4859 5.5399 5.5399 5.8329 5.8329 6.1873 6.1873 6.7714 6.7714 7.0643 7.0643 7.3062 7.3062 7.4023 7.4023 7.4727 7.4727 7.5292 7.5292 7.6605 7.6605 8.3336 8.3336 8.7442 8.7442 8.8871 8.8871 k = 0.0000 0.0000 0.1193 ( 16552 PWs) bands (ev): -71.1001 -71.1001 -71.0986 -71.0986 -40.8811 -40.8811 -40.8730 -40.8730 -39.7339 -39.7339 -39.7202 -39.7202 -39.6052 -39.6052 -39.6035 -39.6035 -14.3264 -14.3264 -14.1896 -14.1896 -3.2280 -3.2280 -2.9951 -2.9951 -2.2756 -2.2756 -1.9280 -1.9280 -1.7559 -1.7559 -1.4486 -1.4486 -1.3688 -1.3688 -0.7984 -0.7984 3.9490 3.9490 4.9007 4.9007 5.3319 5.3319 5.4856 5.4856 5.5372 5.5372 5.8300 5.8300 6.1872 6.1872 6.7777 6.7777 7.0551 7.0551 7.3061 7.3061 7.4028 7.4028 7.4732 7.4732 7.5615 7.5615 7.6596 7.6596 8.3030 8.3030 8.7568 8.7568 8.9603 8.9603 k = 0.0000 0.0000 0.1342 ( 16544 PWs) bands (ev): -71.0996 -71.0996 -71.0987 -71.0987 -40.8811 -40.8811 -40.8730 -40.8730 -39.7339 -39.7339 -39.7202 -39.7202 -39.6052 -39.6052 -39.6035 -39.6035 -14.3264 -14.3264 -14.1897 -14.1897 -3.2249 -3.2249 -3.0042 -3.0042 -2.2715 -2.2715 -1.9311 -1.9311 -1.7559 -1.7559 -1.4311 -1.4311 -1.3688 -1.3688 -0.8082 -0.8082 3.9387 3.9387 4.8825 4.8825 5.3308 5.3308 5.4884 5.4884 5.5342 5.5342 5.8269 5.8269 6.1864 6.1864 6.7849 6.7849 7.0450 7.0450 7.3089 7.3089 7.4022 7.4022 7.4728 7.4728 7.5926 7.5926 7.6646 7.6646 8.2726 8.2726 8.7705 8.7705 9.0313 9.0313 k = 0.0000 0.0000 0.1491 ( 16548 PWs) bands (ev): -71.1003 -71.1003 -71.0982 -71.0982 -40.8811 -40.8811 -40.8730 -40.8730 -39.7339 -39.7339 -39.7202 -39.7202 -39.6052 -39.6052 -39.6035 -39.6035 -14.3264 -14.3264 -14.1897 -14.1897 -3.2215 -3.2215 -3.0133 -3.0133 -2.2675 -2.2675 -1.9342 -1.9342 -1.7558 -1.7558 -1.4130 -1.4130 -1.3689 -1.3689 -0.8187 -0.8187 3.9287 3.9287 4.8639 4.8639 5.3279 5.3279 5.4885 5.4885 5.5315 5.5315 5.8241 5.8241 6.1897 6.1897 6.7899 6.7899 7.0361 7.0361 7.3087 7.3087 7.4041 7.4041 7.4746 7.4746 7.6177 7.6177 7.6715 7.6715 8.2425 8.2425 8.7790 8.7790 9.0409 9.0409 k = 0.0000 0.0000 0.1640 ( 16556 PWs) bands (ev): -71.1003 -71.1003 -71.0987 -71.0987 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6052 -39.6052 -39.6035 -39.6035 -14.3263 -14.3263 -14.1898 -14.1898 -3.2180 -3.2180 -3.0224 -3.0224 -2.2637 -2.2637 -1.9370 -1.9370 -1.7558 -1.7558 -1.3948 -1.3948 -1.3690 -1.3690 -0.8296 -0.8296 3.9193 3.9193 4.8460 4.8460 5.3259 5.3259 5.4892 5.4892 5.5284 5.5284 5.8209 5.8209 6.1892 6.1892 6.7969 6.7969 7.0282 7.0282 7.3043 7.3043 7.4031 7.4031 7.4737 7.4737 7.6362 7.6362 7.6877 7.6877 8.2145 8.2145 8.7874 8.7874 9.0509 9.0509 k = 0.0000 0.0000 0.1789 ( 16564 PWs) bands (ev): -71.1016 -71.1016 -71.0978 -71.0978 -40.8812 -40.8812 -40.8730 -40.8730 -39.7339 -39.7339 -39.7202 -39.7202 -39.6053 -39.6053 -39.6035 -39.6035 -14.3263 -14.3263 -14.1898 -14.1898 -3.2144 -3.2144 -3.0311 -3.0311 -2.2602 -2.2602 -1.9397 -1.9397 -1.7557 -1.7557 -1.3771 -1.3771 -1.3690 -1.3690 -0.8405 -0.8405 3.9111 3.9111 4.8284 4.8284 5.3226 5.3226 5.4877 5.4877 5.5261 5.5261 5.8188 5.8188 6.1907 6.1907 6.8000 6.8000 7.0250 7.0250 7.3050 7.3050 7.4069 7.4069 7.4774 7.4774 7.6429 7.6429 7.7059 7.7059 8.1885 8.1885 8.7919 8.7919 9.0577 9.0577 k = 0.0000 0.0000 0.1938 ( 16536 PWs) bands (ev): -71.1007 -71.1007 -71.0971 -71.0971 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6053 -39.6053 -39.6034 -39.6034 -14.3262 -14.3262 -14.1898 -14.1898 -3.2109 -3.2109 -3.0391 -3.0391 -2.2571 -2.2571 -1.9421 -1.9421 -1.7557 -1.7557 -1.3691 -1.3691 -1.3604 -1.3604 -0.8511 -0.8511 3.9037 3.9037 4.8139 4.8139 5.3230 5.3230 5.4902 5.4902 5.5240 5.5240 5.8167 5.8167 6.1922 6.1922 6.8075 6.8075 7.0209 7.0209 7.3057 7.3057 7.4101 7.4101 7.4806 7.4806 7.6513 7.6513 7.7283 7.7283 8.1660 8.1660 8.8010 8.8010 9.0687 9.0687 k = 0.0000 0.0000 0.2088 ( 16540 PWs) bands (ev): -71.1010 -71.1010 -71.0972 -71.0972 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6053 -39.6053 -39.6034 -39.6034 -14.3262 -14.3262 -14.1899 -14.1899 -3.2077 -3.2077 -3.0462 -3.0462 -2.2545 -2.2545 -1.9441 -1.9441 -1.7556 -1.7556 -1.3691 -1.3691 -1.3455 -1.3455 -0.8609 -0.8609 3.8973 3.8973 4.8007 4.8007 5.3221 5.3221 5.4906 5.4906 5.5218 5.5218 5.8145 5.8145 6.1921 6.1921 6.8116 6.8116 7.0170 7.0170 7.3056 7.3056 7.4100 7.4100 7.4807 7.4807 7.6538 7.6538 7.7468 7.7468 8.1467 8.1467 8.8064 8.8064 9.0761 9.0761 k = 0.0000 0.0000 0.2237 ( 16536 PWs) bands (ev): -71.1005 -71.1005 -71.0974 -71.0974 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6053 -39.6053 -39.6034 -39.6034 -14.3262 -14.3262 -14.1899 -14.1899 -3.2048 -3.2048 -3.0522 -3.0522 -2.2524 -2.2524 -1.9457 -1.9457 -1.7556 -1.7556 -1.3691 -1.3691 -1.3329 -1.3329 -0.8693 -0.8693 3.8920 3.8920 4.7897 4.7897 5.3227 5.3227 5.4926 5.4926 5.5198 5.5198 5.8125 5.8125 6.1921 6.1921 6.8177 6.8177 7.0120 7.0120 7.3056 7.3056 7.4095 7.4095 7.4803 7.4803 7.6552 7.6552 7.7616 7.7616 8.1313 8.1313 8.8129 8.8129 9.0842 9.0842 k = 0.0000 0.0000 0.2386 ( 16536 PWs) bands (ev): -71.1005 -71.1005 -71.0974 -71.0974 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6053 -39.6053 -39.6034 -39.6034 -14.3262 -14.3262 -14.1899 -14.1899 -3.2026 -3.2026 -3.0567 -3.0567 -2.2509 -2.2509 -1.9469 -1.9469 -1.7556 -1.7556 -1.3692 -1.3692 -1.3233 -1.3233 -0.8758 -0.8758 3.8887 3.8887 4.7816 4.7816 5.3233 5.3233 5.4942 5.4942 5.5183 5.5183 5.8110 5.8110 6.1918 6.1918 6.8166 6.8166 7.0137 7.0137 7.3035 7.3035 7.4082 7.4082 7.4791 7.4791 7.6586 7.6586 7.7727 7.7727 8.1200 8.1200 8.8180 8.8180 9.0903 9.0903 k = 0.0000 0.0000 0.2535 ( 16524 PWs) bands (ev): -71.0996 -71.0996 -71.0977 -71.0977 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6053 -39.6053 -39.6034 -39.6034 -14.3262 -14.3262 -14.1899 -14.1899 -3.2011 -3.2011 -3.0595 -3.0595 -2.2499 -2.2499 -1.9477 -1.9477 -1.7556 -1.7556 -1.3692 -1.3692 -1.3172 -1.3172 -0.8800 -0.8800 3.8864 3.8864 4.7777 4.7777 5.3240 5.3240 5.4954 5.4954 5.5174 5.5174 5.8100 5.8100 6.1918 6.1918 6.8205 6.8205 7.0121 7.0121 7.3012 7.3012 7.4076 7.4076 7.4785 7.4785 7.6646 7.6646 7.7815 7.7815 8.1132 8.1132 8.8213 8.8213 9.0943 9.0943 k = 0.0000 0.0000 0.2684 ( 16520 PWs) bands (ev): -71.0996 -71.0996 -71.0974 -71.0974 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6053 -39.6053 -39.6034 -39.6034 -14.3262 -14.3262 -14.1899 -14.1899 -3.2006 -3.2006 -3.0605 -3.0605 -2.2496 -2.2496 -1.9479 -1.9479 -1.7556 -1.7556 -1.3692 -1.3692 -1.3152 -1.3152 -0.8814 -0.8814 3.8858 3.8858 4.7760 4.7760 5.3240 5.3240 5.4956 5.4956 5.5172 5.5172 5.8099 5.8099 6.1919 6.1919 6.8212 6.8212 7.0132 7.0132 7.3012 7.3012 7.4084 7.4084 7.4793 7.4793 7.6647 7.6647 7.7837 7.7837 8.1109 8.1109 8.8221 8.8221 9.0954 9.0954 k = 0.0000 0.0000 0.2684 ( 16520 PWs) bands (ev): -71.0996 -71.0996 -71.0974 -71.0974 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6053 -39.6053 -39.6034 -39.6034 -14.3262 -14.3262 -14.1899 -14.1899 -3.2006 -3.2006 -3.0605 -3.0605 -2.2496 -2.2496 -1.9479 -1.9479 -1.7556 -1.7556 -1.3692 -1.3692 -1.3152 -1.3152 -0.8814 -0.8814 3.8858 3.8858 4.7760 4.7760 5.3240 5.3240 5.4956 5.4956 5.5172 5.5172 5.8099 5.8099 6.1919 6.1919 6.8212 6.8212 7.0132 7.0132 7.3012 7.3012 7.4084 7.4084 7.4793 7.4793 7.6647 7.6647 7.7837 7.7837 8.1109 8.1109 8.8221 8.8221 9.0954 9.0954 k = 0.0000 0.0152 0.2684 ( 16530 PWs) bands (ev): -71.1003 -71.1003 -71.0973 -71.0973 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6053 -39.6053 -39.6034 -39.6034 -14.3260 -14.3260 -14.1899 -14.1899 -3.2014 -3.2014 -3.0601 -3.0601 -2.2508 -2.2508 -1.9468 -1.9468 -1.7548 -1.7548 -1.3855 -1.3855 -1.2992 -1.2992 -0.8814 -0.8814 3.8870 3.8870 4.7751 4.7751 5.3229 5.3229 5.4940 5.4940 5.5156 5.5156 5.8072 5.8072 6.1925 6.1925 6.8214 6.8214 7.0133 7.0133 7.3016 7.3016 7.4071 7.4071 7.4772 7.4772 7.6618 7.6618 7.7841 7.7841 8.1104 8.1104 8.8201 8.8201 9.0917 9.0917 k = 0.0000 0.0303 0.2684 ( 16538 PWs) bands (ev): -71.1010 -71.1010 -71.0971 -71.0971 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6053 -39.6053 -39.6034 -39.6034 -14.3257 -14.3257 -14.1900 -14.1900 -3.2038 -3.2038 -3.0590 -3.0590 -2.2542 -2.2542 -1.9436 -1.9436 -1.7524 -1.7524 -1.4153 -1.4153 -1.2706 -1.2706 -0.8813 -0.8813 3.8902 3.8902 4.7735 4.7735 5.3203 5.3203 5.4902 5.4902 5.5109 5.5109 5.7994 5.7994 6.1964 6.1964 6.8247 6.8247 7.0126 7.0126 7.3008 7.3008 7.4026 7.4026 7.4707 7.4707 7.6637 7.6637 7.7878 7.7878 8.1089 8.1089 8.8160 8.8160 9.0822 9.0822 k = 0.0000 0.0455 0.2684 ( 16556 PWs) bands (ev): -71.1018 -71.1018 -71.0973 -71.0973 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6053 -39.6053 -39.6034 -39.6034 -14.3251 -14.3251 -14.1902 -14.1902 -3.2076 -3.2076 -3.0572 -3.0572 -2.2596 -2.2596 -1.9384 -1.9384 -1.7484 -1.7484 -1.4475 -1.4475 -1.2403 -1.2403 -0.8812 -0.8812 3.8958 3.8958 4.7709 4.7709 5.3161 5.3161 5.4834 5.4834 5.5038 5.5038 5.7872 5.7872 6.1967 6.1967 6.8309 6.8309 7.0114 7.0114 7.2973 7.2973 7.3951 7.3951 7.4601 7.4601 7.6693 7.6693 7.7948 7.7948 8.1058 8.1058 8.8098 8.8098 9.0676 9.0676 k = 0.0000 0.0606 0.2684 ( 16564 PWs) bands (ev): -71.1023 -71.1023 -71.0973 -71.0973 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6053 -39.6053 -39.6034 -39.6034 -14.3242 -14.3242 -14.1904 -14.1904 -3.2127 -3.2127 -3.0551 -3.0551 -2.2668 -2.2668 -1.9314 -1.9314 -1.7430 -1.7430 -1.4802 -1.4802 -1.2104 -1.2104 -0.8808 -0.8808 3.9035 3.9035 4.7677 4.7677 5.3114 5.3114 5.4736 5.4736 5.4958 5.4958 5.7715 5.7715 6.2008 6.2008 6.8390 6.8390 7.0112 7.0112 7.2922 7.2922 7.3846 7.3846 7.4460 7.4460 7.6771 7.6771 7.8059 7.8059 8.1006 8.1006 8.8047 8.8047 9.0512 9.0512 k = 0.0000 0.0758 0.2684 ( 16560 PWs) bands (ev): -71.1025 -71.1025 -71.0968 -71.0968 -40.8811 -40.8811 -40.8731 -40.8731 -39.7337 -39.7337 -39.7204 -39.7204 -39.6053 -39.6053 -39.6034 -39.6034 -14.3231 -14.3231 -14.1906 -14.1906 -3.2188 -3.2188 -3.0529 -3.0529 -2.2753 -2.2753 -1.9230 -1.9230 -1.7361 -1.7361 -1.5127 -1.5127 -1.1818 -1.1818 -0.8800 -0.8800 3.9133 3.9133 4.7628 4.7628 5.3051 5.3051 5.4594 5.4594 5.4883 5.4883 5.7535 5.7535 6.2098 6.2098 6.8494 6.8494 7.0129 7.0129 7.2875 7.2875 7.3713 7.3713 7.4294 7.4294 7.6900 7.6900 7.8204 7.8204 8.0925 8.0925 8.8000 8.8000 9.0332 9.0332 k = 0.0000 0.0909 0.2684 ( 16564 PWs) bands (ev): -71.1021 -71.1021 -71.0975 -71.0975 -40.8810 -40.8810 -40.8731 -40.8731 -39.7336 -39.7336 -39.7205 -39.7205 -39.6053 -39.6053 -39.6035 -39.6035 -14.3218 -14.3218 -14.1910 -14.1910 -3.2258 -3.2258 -3.0508 -3.0508 -2.2848 -2.2848 -1.9134 -1.9134 -1.7282 -1.7282 -1.5443 -1.5443 -1.1550 -1.1550 -0.8786 -0.8786 3.9250 3.9250 4.7562 4.7562 5.2988 5.2988 5.4419 5.4419 5.4824 5.4824 5.7343 5.7343 6.2145 6.2145 6.8598 6.8598 7.0122 7.0122 7.2767 7.2767 7.3544 7.3544 7.4096 7.4096 7.7047 7.7047 7.8390 7.8390 8.0819 8.0819 8.7984 8.7984 9.0177 9.0177 k = 0.0000 0.1061 0.2684 ( 16560 PWs) bands (ev): -71.1011 -71.1011 -71.0982 -71.0982 -40.8809 -40.8809 -40.8732 -40.8732 -39.7335 -39.7335 -39.7206 -39.7206 -39.6053 -39.6053 -39.6035 -39.6035 -14.3203 -14.3203 -14.1914 -14.1914 -3.2334 -3.2334 -3.0491 -3.0491 -2.2949 -2.2949 -1.9028 -1.9028 -1.7195 -1.7195 -1.5746 -1.5746 -1.1305 -1.1305 -0.8762 -0.8762 3.9382 3.9382 4.7466 4.7466 5.2907 5.2907 5.4225 5.4225 5.4771 5.4771 5.7149 5.7149 6.2213 6.2213 6.8720 6.8720 7.0088 7.0088 7.2653 7.2653 7.3370 7.3370 7.3904 7.3904 7.7232 7.7232 7.8603 7.8603 8.0679 8.0679 8.7972 8.7972 9.0056 9.0056 k = 0.0000 0.1212 0.2684 ( 16552 PWs) bands (ev): -71.1009 -71.1009 -71.0979 -71.0979 -40.8809 -40.8809 -40.8733 -40.8733 -39.7334 -39.7334 -39.7207 -39.7207 -39.6052 -39.6052 -39.6035 -39.6035 -14.3185 -14.3185 -14.1918 -14.1918 -3.2416 -3.2416 -3.0480 -3.0480 -2.3053 -2.3053 -1.8914 -1.8914 -1.7113 -1.7113 -1.6023 -1.6023 -1.1089 -1.1089 -0.8726 -0.8726 3.9533 3.9533 4.7324 4.7324 5.2799 5.2799 5.4031 5.4031 5.4717 5.4717 5.6962 5.6962 6.2303 6.2303 6.8827 6.8827 7.0083 7.0083 7.2554 7.2554 7.3209 7.3209 7.3726 7.3726 7.7394 7.7394 7.8828 7.8828 8.0502 8.0502 8.7937 8.7937 8.9988 8.9988 k = 0.0000 0.1364 0.2684 ( 16544 PWs) bands (ev): -71.1006 -71.1006 -71.0976 -71.0976 -40.8808 -40.8808 -40.8733 -40.8733 -39.7332 -39.7332 -39.7208 -39.7208 -39.6052 -39.6052 -39.6035 -39.6035 -14.3165 -14.3165 -14.1924 -14.1924 -3.2501 -3.2501 -3.0477 -3.0477 -2.3156 -2.3156 -1.8794 -1.8794 -1.7063 -1.7063 -1.6246 -1.6246 -1.0906 -1.0906 -0.8673 -0.8673 3.9697 3.9697 4.7137 4.7137 5.2670 5.2670 5.3852 5.3852 5.4667 5.4667 5.6778 5.6778 6.2410 6.2410 6.8927 6.8927 7.0086 7.0086 7.2455 7.2455 7.3032 7.3032 7.3531 7.3531 7.7551 7.7551 7.9073 7.9073 8.0294 8.0294 8.7860 8.7860 9.0018 9.0018 k = 0.0000 0.1515 0.2684 ( 16546 PWs) bands (ev): -71.1008 -71.1008 -71.0974 -71.0974 -40.8807 -40.8807 -40.8734 -40.8734 -39.7331 -39.7331 -39.7210 -39.7210 -39.6052 -39.6052 -39.6036 -39.6036 -14.3143 -14.3143 -14.1930 -14.1930 -3.2588 -3.2588 -3.0484 -3.0484 -2.3254 -2.3254 -1.8668 -1.8668 -1.7104 -1.7104 -1.6355 -1.6355 -1.0760 -1.0760 -0.8603 -0.8603 3.9872 3.9872 4.6901 4.6901 5.2512 5.2512 5.3700 5.3700 5.4607 5.4607 5.6601 5.6601 6.2519 6.2519 6.9022 6.9022 7.0080 7.0080 7.2322 7.2322 7.2858 7.2858 7.3333 7.3333 7.7695 7.7695 7.9339 7.9339 8.0057 8.0057 8.7691 8.7691 9.0156 9.0156 k = 0.0000 0.1667 0.2684 ( 16560 PWs) bands (ev): -71.1007 -71.1007 -71.0984 -71.0984 -40.8806 -40.8806 -40.8735 -40.8735 -39.7329 -39.7329 -39.7212 -39.7212 -39.6052 -39.6052 -39.6036 -39.6036 -14.3120 -14.3120 -14.1937 -14.1937 -3.2676 -3.2676 -3.0504 -3.0504 -2.3344 -2.3344 -1.8537 -1.8537 -1.7264 -1.7264 -1.6326 -1.6326 -1.0650 -1.0650 -0.8514 -0.8514 4.0054 4.0054 4.6612 4.6612 5.2349 5.2349 5.3582 5.3582 5.4564 5.4564 5.6428 5.6428 6.2611 6.2611 6.9089 6.9089 7.0061 7.0061 7.2139 7.2139 7.2655 7.2655 7.3109 7.3109 7.7832 7.7832 7.9607 7.9607 7.9815 7.9815 8.7469 8.7469 9.0425 9.0425 k = 0.0000 0.1818 0.2684 ( 16570 PWs) bands (ev): -71.1006 -71.1006 -71.0990 -71.0990 -40.8805 -40.8805 -40.8737 -40.8737 -39.7328 -39.7328 -39.7213 -39.7213 -39.6052 -39.6052 -39.6036 -39.6036 -14.3094 -14.3094 -14.1944 -14.1944 -3.2764 -3.2764 -3.0537 -3.0537 -2.3425 -2.3425 -1.8403 -1.8403 -1.7487 -1.7487 -1.6212 -1.6212 -1.0576 -1.0576 -0.8410 -0.8410 4.0241 4.0241 4.6269 4.6269 5.2190 5.2190 5.3499 5.3499 5.4535 5.4535 5.6263 5.6263 6.2729 6.2729 6.9113 6.9113 7.0042 7.0042 7.1966 7.1966 7.2450 7.2450 7.2884 7.2884 7.7960 7.7960 7.9556 7.9556 7.9894 7.9894 8.7197 8.7197 9.0804 9.0804 k = 0.0000 0.1970 0.2684 ( 16562 PWs) bands (ev): -71.1003 -71.1003 -71.0988 -71.0988 -40.8804 -40.8804 -40.8738 -40.8738 -39.7326 -39.7326 -39.7215 -39.7215 -39.6051 -39.6051 -39.6037 -39.6037 -14.3067 -14.3067 -14.1953 -14.1953 -3.2851 -3.2851 -3.0584 -3.0584 -2.3492 -2.3492 -1.8267 -1.8267 -1.7730 -1.7730 -1.6059 -1.6059 -1.0532 -1.0532 -0.8296 -0.8296 4.0430 4.0430 4.5886 4.5886 5.2022 5.2022 5.3451 5.3451 5.4516 5.4516 5.6110 5.6110 6.2885 6.2885 6.9142 6.9142 7.0049 7.0049 7.1798 7.1798 7.2269 7.2269 7.2680 7.2680 7.8105 7.8105 7.9309 7.9309 8.0171 8.0171 8.6890 8.6890 9.1238 9.1238 k = 0.0000 0.2121 0.2684 ( 16540 PWs) bands (ev): -71.0999 -71.0999 -71.0979 -71.0979 -40.8803 -40.8803 -40.8739 -40.8739 -39.7324 -39.7324 -39.7217 -39.7217 -39.6051 -39.6051 -39.6037 -39.6037 -14.3038 -14.3038 -14.1963 -14.1963 -3.2935 -3.2935 -3.0646 -3.0646 -2.3545 -2.3545 -1.8145 -1.8145 -1.7959 -1.7959 -1.5885 -1.5885 -1.0513 -1.0513 -0.8177 -0.8177 4.0613 4.0613 4.5472 4.5472 5.1858 5.1858 5.3427 5.3427 5.4506 5.4506 5.5968 5.5968 6.3056 6.3056 6.9176 6.9176 7.0042 7.0042 7.1677 7.1677 7.2119 7.2119 7.2494 7.2494 7.8257 7.8257 7.9071 7.9071 8.0451 8.0451 8.6548 8.6548 9.1716 9.1716 k = 0.0000 0.2273 0.2684 ( 16548 PWs) bands (ev): -71.0998 -71.0998 -71.0985 -71.0985 -40.8802 -40.8802 -40.8740 -40.8740 -39.7322 -39.7322 -39.7219 -39.7219 -39.6051 -39.6051 -39.6037 -39.6037 -14.3008 -14.3008 -14.1973 -14.1973 -3.3017 -3.3017 -3.0724 -3.0724 -2.3583 -2.3583 -1.8256 -1.8256 -1.7950 -1.7950 -1.5700 -1.5700 -1.0514 -1.0514 -0.8059 -0.8059 4.0785 4.0785 4.5033 4.5033 5.1702 5.1702 5.3420 5.3420 5.4504 5.4504 5.5829 5.5829 6.3206 6.3206 6.9184 6.9184 6.9993 6.9993 7.1501 7.1501 7.1940 7.1940 7.2272 7.2272 7.8355 7.8355 7.8844 7.8844 8.0711 8.0711 8.6185 8.6185 9.2203 9.2203 k = 0.0000 0.2424 0.2684 ( 16566 PWs) bands (ev): -71.1003 -71.1003 -71.0990 -71.0990 -40.8800 -40.8800 -40.8741 -40.8741 -39.7320 -39.7320 -39.7222 -39.7222 -39.6050 -39.6050 -39.6038 -39.6038 -14.2976 -14.2976 -14.1985 -14.1985 -3.3095 -3.3095 -3.0816 -3.0816 -2.3603 -2.3603 -1.8491 -1.8491 -1.7809 -1.7809 -1.5508 -1.5508 -1.0527 -1.0527 -0.7947 -0.7947 4.0945 4.0945 4.4579 4.4579 5.1556 5.1556 5.3419 5.3419 5.4512 5.4512 5.5702 5.5702 6.3347 6.3347 6.9160 6.9160 6.9946 6.9946 7.1318 7.1318 7.1754 7.1754 7.2050 7.2050 7.8407 7.8407 7.8658 7.8658 8.0943 8.0943 8.5808 8.5808 9.2583 9.2583 k = 0.0000 0.2576 0.2684 ( 16566 PWs) bands (ev): -71.1006 -71.1006 -71.0987 -71.0987 -40.8799 -40.8799 -40.8743 -40.8743 -39.7318 -39.7318 -39.7224 -39.7224 -39.6050 -39.6050 -39.6038 -39.6038 -14.2943 -14.2943 -14.1998 -14.1998 -3.3167 -3.3167 -3.0922 -3.0922 -2.3606 -2.3606 -1.8727 -1.8727 -1.7656 -1.7656 -1.5316 -1.5316 -1.0547 -1.0547 -0.7846 -0.7846 4.1086 4.1086 4.4126 4.4126 5.1434 5.1434 5.3429 5.3429 5.4532 5.4532 5.5596 5.5596 6.3524 6.3524 6.9143 6.9143 6.9903 6.9903 7.1151 7.1151 7.1576 7.1576 7.1846 7.1846 7.8318 7.8318 7.8641 7.8641 8.1159 8.1159 8.5426 8.5426 9.1963 9.1963 k = 0.0000 0.2727 0.2684 ( 16568 PWs) bands (ev): -71.1003 -71.1003 -71.0992 -71.0992 -40.8798 -40.8798 -40.8744 -40.8744 -39.7316 -39.7316 -39.7226 -39.7226 -39.6050 -39.6050 -39.6038 -39.6038 -14.2909 -14.2909 -14.2012 -14.2012 -3.3234 -3.3234 -3.1041 -3.1041 -2.3592 -2.3592 -1.8958 -1.8958 -1.7499 -1.7499 -1.5127 -1.5127 -1.0569 -1.0569 -0.7760 -0.7760 4.1201 4.1201 4.3679 4.3679 5.1345 5.1345 5.3438 5.3438 5.4558 5.4558 5.5509 5.5509 6.3710 6.3710 6.9106 6.9106 6.9852 6.9852 7.0970 7.0970 7.1382 7.1382 7.1633 7.1633 7.8160 7.8160 7.8724 7.8724 8.1324 8.1324 8.5048 8.5048 9.1218 9.1218 k = 0.0000 0.2879 0.2684 ( 16544 PWs) bands (ev): -71.0998 -71.0998 -71.0982 -71.0982 -40.8796 -40.8796 -40.8746 -40.8746 -39.7313 -39.7313 -39.7229 -39.7229 -39.6049 -39.6049 -39.6038 -39.6038 -14.2875 -14.2875 -14.2027 -14.2027 -3.3295 -3.3295 -3.1172 -3.1172 -2.3560 -2.3560 -1.9183 -1.9183 -1.7338 -1.7338 -1.4945 -1.4945 -1.0587 -1.0587 -0.7690 -0.7690 4.1289 4.1289 4.3248 4.3248 5.1294 5.1294 5.3446 5.3446 5.4584 5.4584 5.5454 5.5454 6.3933 6.3933 6.9089 6.9089 6.9815 6.9815 7.0827 7.0827 7.1206 7.1206 7.1460 7.1460 7.8022 7.8022 7.8833 7.8833 8.1438 8.1438 8.4674 8.4674 9.0564 9.0564 k = 0.0000 0.3030 0.2684 ( 16550 PWs) bands (ev): -71.0997 -71.0997 -71.0987 -71.0987 -40.8795 -40.8795 -40.8747 -40.8747 -39.7311 -39.7311 -39.7231 -39.7231 -39.6049 -39.6049 -39.6039 -39.6039 -14.2839 -14.2839 -14.2043 -14.2043 -3.3348 -3.3348 -3.1311 -3.1311 -2.3512 -2.3512 -1.9403 -1.9403 -1.7174 -1.7174 -1.4776 -1.4776 -1.0596 -1.0596 -0.7640 -0.7640 4.1340 4.1340 4.2839 4.2839 5.1278 5.1278 5.3444 5.3444 5.4592 5.4592 5.5426 5.5426 6.4137 6.4137 6.9022 6.9022 6.9744 6.9744 7.0661 7.0661 7.0986 7.0986 7.1260 7.1260 7.7892 7.7892 7.8918 7.8918 8.1469 8.1469 8.4304 8.4304 9.0025 9.0025 k = 0.0000 0.3182 0.2684 ( 16560 PWs) bands (ev): -71.1001 -71.1001 -71.0989 -71.0989 -40.8793 -40.8793 -40.8749 -40.8749 -39.7308 -39.7308 -39.7234 -39.7234 -39.6049 -39.6049 -39.6039 -39.6039 -14.2803 -14.2803 -14.2061 -14.2061 -3.3394 -3.3394 -3.1459 -3.1459 -2.3448 -2.3448 -1.9617 -1.9617 -1.7006 -1.7006 -1.4625 -1.4625 -1.0590 -1.0590 -0.7610 -0.7610 4.1355 4.1355 4.2458 4.2458 5.1300 5.1300 5.3433 5.3433 5.4579 5.4579 5.5426 5.5426 6.4331 6.4331 6.8950 6.8950 6.9667 6.9667 7.0513 7.0513 7.0746 7.0746 7.1078 7.1078 7.7784 7.7784 7.8993 7.8993 8.1424 8.1424 8.3931 8.3931 8.9613 8.9613 k = 0.0000 0.3333 0.2684 ( 16548 PWs) bands (ev): -71.0994 -71.0994 -71.0989 -71.0989 -40.8791 -40.8791 -40.8751 -40.8751 -39.7305 -39.7305 -39.7237 -39.7237 -39.6048 -39.6048 -39.6039 -39.6039 -14.2766 -14.2766 -14.2080 -14.2080 -3.3430 -3.3430 -3.1611 -3.1611 -2.3370 -2.3370 -1.9826 -1.9826 -1.6836 -1.6836 -1.4498 -1.4498 -1.0565 -1.0565 -0.7602 -0.7602 4.1329 4.1329 4.2117 4.2117 5.1365 5.1365 5.3422 5.3422 5.4557 5.4557 5.5462 5.5462 6.4545 6.4545 6.8916 6.8916 6.9608 6.9608 7.0357 7.0357 7.0522 7.0522 7.0917 7.0917 7.7708 7.7708 7.9093 7.9093 8.1319 8.1319 8.3567 8.3567 8.9337 8.9337 k = 0.0000 0.3485 0.2684 ( 16556 PWs) bands (ev): -71.1001 -71.1001 -71.0986 -71.0986 -40.8790 -40.8790 -40.8752 -40.8752 -39.7303 -39.7303 -39.7240 -39.7240 -39.6048 -39.6048 -39.6040 -39.6040 -14.2729 -14.2729 -14.2100 -14.2100 -3.3457 -3.3457 -3.1767 -3.1767 -2.3279 -2.3279 -2.0031 -2.0031 -1.6663 -1.6663 -1.4398 -1.4398 -1.0516 -1.0516 -0.7617 -0.7617 4.1256 4.1256 4.1821 4.1821 5.1464 5.1464 5.3400 5.3400 5.4520 5.4520 5.5498 5.5498 6.4775 6.4775 6.8841 6.8841 6.9520 6.9520 7.0237 7.0237 7.0262 7.0262 7.0756 7.0756 7.7644 7.7644 7.9158 7.9158 8.1125 8.1125 8.3201 8.3201 8.9186 8.9186 k = 0.0000 0.3636 0.2684 ( 16542 PWs) bands (ev): -71.0994 -71.0994 -71.0985 -71.0985 -40.8788 -40.8788 -40.8754 -40.8754 -39.7299 -39.7299 -39.7243 -39.7243 -39.6048 -39.6048 -39.6040 -39.6040 -14.2692 -14.2692 -14.2121 -14.2121 -3.3474 -3.3474 -3.1924 -3.1924 -2.3176 -2.3176 -2.0231 -2.0231 -1.6488 -1.6488 -1.4329 -1.4329 -1.0441 -1.0441 -0.7654 -0.7654 4.1136 4.1136 4.1580 4.1580 5.1599 5.1599 5.3381 5.3381 5.4490 5.4490 5.5543 5.5543 6.5022 6.5022 6.8790 6.8790 6.9442 6.9442 7.0030 7.0030 7.0134 7.0134 7.0619 7.0619 7.7608 7.7608 7.9259 7.9259 8.0882 8.0882 8.2853 8.2853 8.9152 8.9152 k = 0.0000 0.3788 0.2684 ( 16546 PWs) bands (ev): -71.0993 -71.0993 -71.0988 -71.0988 -40.8786 -40.8786 -40.8756 -40.8756 -39.7297 -39.7297 -39.7246 -39.7246 -39.6047 -39.6047 -39.6040 -39.6040 -14.2655 -14.2655 -14.2144 -14.2144 -3.3481 -3.3481 -3.2080 -3.2080 -2.3062 -2.3062 -2.0428 -2.0428 -1.6313 -1.6313 -1.4294 -1.4294 -1.0338 -1.0338 -0.7714 -0.7714 4.0979 4.0979 4.1389 4.1389 5.1759 5.1759 5.3359 5.3359 5.4465 5.4465 5.5581 5.5581 6.5256 6.5256 6.8706 6.8706 6.9341 6.9341 6.9787 6.9787 7.0020 7.0020 7.0464 7.0464 7.7584 7.7584 7.9348 7.9348 8.0606 8.0606 8.2519 8.2519 8.9206 8.9206 k = 0.0000 0.3939 0.2684 ( 16556 PWs) bands (ev): -71.1001 -71.1001 -71.0986 -71.0986 -40.8785 -40.8785 -40.8758 -40.8758 -39.7294 -39.7294 -39.7249 -39.7249 -39.6047 -39.6047 -39.6041 -39.6041 -14.2618 -14.2618 -14.2168 -14.2168 -3.3476 -3.3476 -3.2233 -3.2233 -2.2938 -2.2938 -2.0621 -2.0621 -1.6136 -1.6136 -1.4291 -1.4291 -1.0208 -1.0208 -0.7796 -0.7796 4.0814 4.0814 4.1228 4.1228 5.1943 5.1943 5.3324 5.3324 5.4450 5.4450 5.5589 5.5589 6.5482 6.5482 6.8618 6.8618 6.9248 6.9248 6.9541 6.9541 6.9905 6.9905 7.0333 7.0333 7.7604 7.7604 7.9425 7.9425 8.0305 8.0305 8.2177 8.2177 8.9332 8.9332 k = 0.0000 0.4091 0.2684 ( 16536 PWs) bands (ev): -71.0996 -71.0996 -71.0979 -71.0979 -40.8783 -40.8783 -40.8759 -40.8759 -39.7291 -39.7291 -39.7252 -39.7252 -39.6046 -39.6046 -39.6041 -39.6041 -14.2581 -14.2581 -14.2193 -14.2193 -3.3460 -3.3460 -3.2383 -3.2383 -2.2806 -2.2806 -2.0810 -2.0810 -1.5960 -1.5960 -1.4320 -1.4320 -1.0054 -1.0054 -0.7899 -0.7899 4.0664 4.0664 4.1081 4.1081 5.2137 5.2137 5.3297 5.3297 5.4461 5.4461 5.5587 5.5587 6.5754 6.5754 6.8537 6.8537 6.9173 6.9173 6.9351 6.9351 6.9840 6.9840 7.0225 7.0225 7.7649 7.7649 7.9523 7.9523 8.0016 8.0016 8.1874 8.1874 8.9514 8.9514 k = 0.0000 0.4242 0.2684 ( 16548 PWs) bands (ev): -71.0999 -71.0999 -71.0983 -71.0983 -40.8781 -40.8781 -40.8761 -40.8761 -39.7288 -39.7288 -39.7255 -39.7255 -39.6046 -39.6046 -39.6041 -39.6041 -14.2544 -14.2544 -14.2220 -14.2220 -3.3433 -3.3433 -3.2526 -3.2526 -2.2666 -2.2666 -2.0996 -2.0996 -1.5784 -1.5784 -1.4376 -1.4376 -0.9881 -0.9881 -0.8023 -0.8023 4.0542 4.0542 4.0940 4.0940 5.2325 5.2325 5.3261 5.3261 5.4490 5.4490 5.5548 5.5548 6.5999 6.5999 6.8402 6.8402 6.9050 6.9050 6.9183 6.9183 6.9766 6.9766 7.0097 7.0097 7.7698 7.7698 7.9534 7.9534 7.9788 7.9788 8.1581 8.1581 8.9731 8.9731 k = 0.0000 0.4394 0.2684 ( 16542 PWs) bands (ev): -71.0992 -71.0992 -71.0986 -71.0986 -40.8779 -40.8779 -40.8763 -40.8763 -39.7284 -39.7284 -39.7258 -39.7258 -39.6045 -39.6045 -39.6042 -39.6042 -14.2508 -14.2508 -14.2248 -14.2248 -3.3393 -3.3393 -3.2662 -3.2662 -2.2519 -2.2519 -2.1179 -2.1179 -1.5611 -1.5611 -1.4458 -1.4458 -0.9692 -0.9692 -0.8165 -0.8165 4.0452 4.0452 4.0807 4.0807 5.2506 5.2506 5.3226 5.3226 5.4550 5.4550 5.5490 5.5490 6.6266 6.6266 6.8241 6.8241 6.8939 6.8939 6.9078 6.9078 6.9728 6.9728 6.9988 6.9988 7.7789 7.7789 7.9326 7.9326 7.9825 7.9825 8.1319 8.1319 8.9973 8.9973 k = 0.0000 0.4545 0.2684 ( 16548 PWs) bands (ev): -71.0994 -71.0994 -71.0988 -71.0988 -40.8777 -40.8777 -40.8765 -40.8765 -39.7281 -39.7281 -39.7262 -39.7262 -39.6045 -39.6045 -39.6043 -39.6043 -14.2472 -14.2472 -14.2277 -14.2277 -3.3342 -3.3342 -3.2791 -3.2791 -2.2367 -2.2367 -2.1359 -2.1359 -1.5440 -1.5440 -1.4560 -1.4560 -0.9493 -0.9493 -0.8324 -0.8324 4.0396 4.0396 4.0683 4.0683 5.2665 5.2665 5.3185 5.3185 5.4635 5.4635 5.5404 5.5404 6.6542 6.6542 6.8029 6.8029 6.8849 6.8849 6.8982 6.8982 6.9686 6.9686 6.9883 6.9883 7.7890 7.7890 7.9063 7.9063 7.9940 7.9940 8.1077 8.1077 9.0229 9.0229 k = 0.0000 0.4697 0.2684 ( 16554 PWs) bands (ev): -71.0994 -71.0994 -71.0991 -71.0991 -40.8775 -40.8775 -40.8767 -40.8767 -39.7278 -39.7278 -39.7265 -39.7265 -39.6045 -39.6045 -39.6043 -39.6043 -14.2437 -14.2437 -14.2307 -14.2307 -3.3279 -3.3279 -3.2909 -3.2909 -2.2209 -2.2209 -2.1536 -2.1536 -1.5273 -1.5273 -1.4679 -1.4679 -0.9289 -0.9289 -0.8498 -0.8498 4.0373 4.0373 4.0575 4.0575 5.2798 5.2798 5.3133 5.3133 5.4743 5.4743 5.5292 5.5292 6.6802 6.6802 6.7788 6.7788 6.8809 6.8809 6.8899 6.8899 6.9691 6.9691 6.9813 6.9813 7.8013 7.8013 7.8803 7.8803 8.0071 8.0071 8.0843 8.0843 9.0498 9.0498 k = 0.0000 0.4848 0.2684 ( 16562 PWs) bands (ev): -71.0996 -71.0996 -71.0993 -71.0993 -40.8773 -40.8773 -40.8769 -40.8769 -39.7275 -39.7275 -39.7268 -39.7268 -39.6044 -39.6044 -39.6044 -39.6044 -14.2403 -14.2403 -14.2338 -14.2338 -3.3203 -3.3203 -3.3018 -3.3018 -2.2047 -2.2047 -2.1710 -2.1710 -1.5112 -1.5112 -1.4812 -1.4812 -0.9083 -0.9083 -0.8685 -0.8685 4.0382 4.0382 4.0486 4.0486 5.2910 5.2910 5.3072 5.3072 5.4875 5.4875 5.5157 5.5157 6.7062 6.7062 6.7543 6.7543 6.8788 6.8788 6.8837 6.8837 6.9689 6.9689 6.9743 6.9743 7.8170 7.8170 7.8555 7.8555 8.0235 8.0235 8.0627 8.0627 9.0770 9.0770 k = 0.0000 0.5000 0.2684 ( 16564 PWs) bands (ev): -71.0995 -71.0995 -71.0995 -71.0995 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3116 -3.3116 -3.3116 -3.3116 -2.1880 -2.1880 -2.1880 -2.1880 -1.4957 -1.4957 -1.4957 -1.4957 -0.8881 -0.8881 -0.8881 -0.8881 4.0421 4.0421 4.0421 4.0421 5.2999 5.2999 5.2999 5.2999 5.5013 5.5013 5.5013 5.5013 6.7306 6.7306 6.7306 6.7306 6.8802 6.8802 6.8802 6.8802 6.9711 6.9711 6.9711 6.9711 7.8340 7.8340 7.8340 7.8340 8.0424 8.0424 8.0424 8.0424 9.1046 9.1046 k = 0.0000 0.5000 0.2684 ( 16564 PWs) bands (ev): -71.0995 -71.0995 -71.0995 -71.0995 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3116 -3.3116 -3.3116 -3.3116 -2.1880 -2.1880 -2.1880 -2.1880 -1.4957 -1.4957 -1.4957 -1.4957 -0.8881 -0.8881 -0.8881 -0.8881 4.0421 4.0421 4.0421 4.0421 5.2999 5.2999 5.2999 5.2999 5.5013 5.5013 5.5013 5.5013 6.7306 6.7306 6.7306 6.7306 6.8802 6.8802 6.8802 6.8802 6.9711 6.9711 6.9711 6.9711 7.8340 7.8340 7.8340 7.8340 8.0424 8.0424 8.0424 8.0424 9.1046 9.1046 k = 0.0152 0.5000 0.2684 ( 16560 PWs) bands (ev): -71.0994 -71.0994 -71.0994 -71.0994 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3120 -3.3120 -3.3107 -3.3107 -2.1931 -2.1931 -2.1827 -2.1827 -1.5020 -1.5020 -1.4905 -1.4905 -0.8891 -0.8891 -0.8881 -0.8881 4.0384 4.0384 4.0441 4.0441 5.2955 5.2955 5.3054 5.3054 5.5012 5.5012 5.5028 5.5028 6.7290 6.7290 6.7299 6.7299 6.8794 6.8794 6.8825 6.8825 6.9705 6.9705 6.9710 6.9710 7.8311 7.8311 7.8325 7.8325 8.0414 8.0414 8.0491 8.0491 9.1025 9.1052 k = 0.0303 0.5000 0.2684 ( 16548 PWs) bands (ev): -71.0991 -71.0991 -71.0991 -71.0991 -40.8771 -40.8771 -40.8771 -40.8771 -39.7271 -39.7271 -39.7271 -39.7271 -39.6044 -39.6044 -39.6044 -39.6044 -14.2368 -14.2368 -14.2368 -14.2368 -3.3117 -3.3117 -3.3092 -3.3092 -2.1980 -2.1980 -2.1772 -2.1772 -1.5093 -1.5093 -1.4863 -1.4863 -0.8911 -0.8911 -0.8891 -0.8891 4.0332 4.0332 4.0445 4.0445 5.2922 5.2922 5.3118 5.3118 5.5014 5.5014 5.5048 5.5048 6.7247 6.7247 6.7260 6.7260 6.8825 6.8825 6.8883 6.8883 6.9712 6.9712 6.9722 6.9722 7.8218 7.8218 7.8238 7.8238 8.0463 8.0463 8.0606 8.0606 9.0996 9.0996 k = 0.0455 0.5000 0.2684 ( 16552 PWs) bands (ev): -71.0992 -71.0992 -71.0992 -71.0992 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2366 -14.2366 -14.2366 -14.2366 -3.3108 -3.3108 -3.3070 -3.3070 -2.2026 -2.2026 -2.1715 -2.1715 -1.5175 -1.5175 -1.4831 -1.4831 -0.8941 -0.8941 -0.8911 -0.8911 4.0265 4.0265 4.0433 4.0433 5.2894 5.2894 5.3185 5.3185 5.5017 5.5017 5.5071 5.5071 6.7178 6.7178 6.7191 6.7191 6.8848 6.8848 6.8928 6.8928 6.9696 6.9696 6.9711 6.9711 7.8074 7.8074 7.8092 7.8092 8.0548 8.0548 8.0747 8.0747 9.0958 9.0958 k = 0.0606 0.5000 0.2684 ( 16556 PWs) bands (ev): -71.0993 -71.0993 -71.0993 -71.0993 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2363 -14.2363 -14.2363 -14.2363 -3.3094 -3.3094 -3.3043 -3.3043 -2.2070 -2.2070 -2.1656 -2.1656 -1.5267 -1.5267 -1.4808 -1.4808 -0.8982 -0.8982 -0.8940 -0.8940 4.0183 4.0183 4.0405 4.0405 5.2869 5.2869 5.3262 5.3262 5.5027 5.5027 5.5091 5.5091 6.7095 6.7095 6.7109 6.7109 6.8875 6.8875 6.8977 6.8977 6.9691 6.9691 6.9711 6.9711 7.7899 7.7899 7.7906 7.7906 8.0647 8.0647 8.0889 8.0889 9.0916 9.0916 k = 0.0758 0.5000 0.2684 ( 16544 PWs) bands (ev): -71.0990 -71.0990 -71.0990 -71.0990 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2359 -14.2359 -14.2359 -14.2359 -3.3074 -3.3074 -3.3011 -3.3011 -2.2110 -2.2110 -2.1594 -2.1594 -1.5367 -1.5367 -1.4794 -1.4794 -0.9033 -0.9033 -0.8980 -0.8980 4.0089 4.0089 4.0365 4.0365 5.2855 5.2855 5.3349 5.3349 5.5048 5.5048 5.5121 5.5121 6.7020 6.7020 6.7029 6.7029 6.8902 6.8902 6.9018 6.9018 6.9707 6.9707 6.9731 6.9731 7.7704 7.7704 7.7714 7.7714 8.0769 8.0769 8.1042 8.1042 9.0874 9.0874 k = 0.0909 0.5000 0.2684 ( 16564 PWs) bands (ev): -71.0996 -71.0996 -71.0996 -71.0996 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2355 -14.2355 -14.2354 -14.2354 -3.3049 -3.3049 -3.2974 -3.2974 -2.2147 -2.2147 -2.1530 -2.1530 -1.5475 -1.5475 -1.4788 -1.4788 -0.9096 -0.9096 -0.9030 -0.9030 3.9982 3.9982 4.0310 4.0310 5.2832 5.2832 5.3441 5.3441 5.5070 5.5070 5.5133 5.5133 6.6898 6.6898 6.6909 6.6909 6.8897 6.8897 6.9022 6.9022 6.9721 6.9721 6.9740 6.9740 7.7482 7.7482 7.7511 7.7511 8.0841 8.0841 8.1139 8.1139 9.0836 9.0836 k = 0.1061 0.5000 0.2684 ( 16560 PWs) bands (ev): -71.0994 -71.0994 -71.0994 -71.0994 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2349 -14.2349 -14.2349 -14.2349 -3.3020 -3.3020 -3.2933 -3.2933 -2.2180 -2.2180 -2.1463 -2.1463 -1.5589 -1.5589 -1.4790 -1.4790 -0.9170 -0.9170 -0.9091 -0.9091 3.9867 3.9867 4.0245 4.0245 5.2822 5.2822 5.3542 5.3542 5.5102 5.5102 5.5155 5.5155 6.6796 6.6796 6.6803 6.6803 6.8883 6.8883 6.9003 6.9003 6.9776 6.9776 6.9782 6.9782 7.7262 7.7262 7.7311 7.7311 8.0929 8.0929 8.1242 8.1242 9.0809 9.0809 k = 0.1212 0.5000 0.2684 ( 16560 PWs) bands (ev): -71.0994 -71.0994 -71.0994 -71.0994 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2343 -14.2343 -14.2343 -14.2343 -3.2986 -3.2986 -3.2888 -3.2888 -2.2209 -2.2209 -2.1393 -2.1393 -1.5710 -1.5710 -1.4798 -1.4798 -0.9256 -0.9256 -0.9162 -0.9162 3.9746 3.9746 4.0170 4.0170 5.2811 5.2811 5.3643 5.3643 5.5138 5.5138 5.5175 5.5175 6.6692 6.6692 6.6693 6.6693 6.8835 6.8835 6.8948 6.8948 6.9845 6.9845 6.9850 6.9850 7.7030 7.7030 7.7099 7.7099 8.0991 8.0991 8.1309 8.1309 9.0800 9.0800 k = 0.1364 0.5000 0.2684 ( 16544 PWs) bands (ev): -71.0990 -71.0990 -71.0990 -71.0990 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2336 -14.2336 -14.2336 -14.2336 -3.2949 -3.2949 -3.2841 -3.2841 -2.2231 -2.2231 -2.1318 -2.1318 -1.5835 -1.5835 -1.4813 -1.4813 -0.9355 -0.9355 -0.9243 -0.9243 3.9619 3.9619 4.0087 4.0087 5.2801 5.2801 5.3755 5.3755 5.5185 5.5185 5.5189 5.5189 6.6603 6.6603 6.6605 6.6605 6.8782 6.8782 6.8882 6.8882 6.9926 6.9926 6.9951 6.9951 7.6822 7.6822 7.6910 7.6910 8.1016 8.1016 8.1333 8.1333 9.0820 9.0820 k = 0.1515 0.5000 0.2684 ( 16536 PWs) bands (ev): -71.0987 -71.0987 -71.0987 -71.0987 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6043 -39.6043 -14.2329 -14.2329 -14.2328 -14.2328 -3.2909 -3.2909 -3.2790 -3.2790 -2.2248 -2.2248 -2.1240 -2.1240 -1.5965 -1.5965 -1.4832 -1.4832 -0.9465 -0.9465 -0.9335 -0.9335 3.9489 3.9489 3.9999 3.9999 5.2787 5.2787 5.3859 5.3859 5.5196 5.5196 5.5226 5.5226 6.6524 6.6524 6.6525 6.6525 6.8715 6.8715 6.8801 6.8801 6.9997 6.9997 7.0041 7.0041 7.6597 7.6597 7.6702 7.6702 8.1001 8.1001 8.1309 8.1309 9.0873 9.0873 k = 0.1667 0.5000 0.2684 ( 16544 PWs) bands (ev): -71.0989 -71.0989 -71.0989 -71.0989 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6043 -39.6043 -14.2321 -14.2321 -14.2320 -14.2320 -3.2866 -3.2866 -3.2739 -3.2739 -2.2257 -2.2257 -2.1156 -2.1156 -1.6097 -1.6097 -1.4855 -1.4855 -0.9588 -0.9588 -0.9439 -0.9439 3.9359 3.9359 3.9907 3.9907 5.2765 5.2765 5.3953 5.3953 5.5193 5.5193 5.5264 5.5264 6.6431 6.6431 6.6432 6.6432 6.8619 6.8619 6.8693 6.8693 7.0072 7.0072 7.0133 7.0133 7.6360 7.6360 7.6479 7.6479 8.0939 8.0939 8.1232 8.1232 9.0962 9.0962 k = 0.1818 0.5000 0.2684 ( 16544 PWs) bands (ev): -71.0989 -71.0989 -71.0989 -71.0989 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6043 -39.6043 -39.6043 -39.6043 -14.2312 -14.2312 -14.2312 -14.2312 -3.2822 -3.2822 -3.2686 -3.2686 -2.2258 -2.2258 -2.1067 -2.1067 -1.6232 -1.6232 -1.4881 -1.4881 -0.9723 -0.9723 -0.9552 -0.9552 3.9231 3.9231 3.9812 3.9812 5.2741 5.2741 5.4045 5.4045 5.5187 5.5187 5.5308 5.5308 6.6344 6.6344 6.6345 6.6345 6.8517 6.8517 6.8575 6.8575 7.0155 7.0155 7.0234 7.0234 7.6135 7.6135 7.6267 7.6267 8.0846 8.0846 8.1117 8.1117 9.1095 9.1095 k = 0.1970 0.5000 0.2684 ( 16540 PWs) bands (ev): -71.0988 -71.0988 -71.0988 -71.0988 -40.8772 -40.8772 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6043 -39.6043 -39.6043 -39.6043 -14.2304 -14.2304 -14.2303 -14.2303 -3.2777 -3.2777 -3.2634 -3.2634 -2.2249 -2.2249 -2.0972 -2.0972 -1.6367 -1.6367 -1.4910 -1.4910 -0.9870 -0.9870 -0.9676 -0.9676 3.9107 3.9107 3.9719 3.9719 5.2711 5.2711 5.4122 5.4122 5.5178 5.5178 5.5348 5.5348 6.6266 6.6266 6.6267 6.6267 6.8418 6.8418 6.8459 6.8459 7.0243 7.0243 7.0339 7.0339 7.5907 7.5907 7.6049 7.6049 8.0722 8.0722 8.0965 8.0965 9.1272 9.1272 k = 0.2121 0.5000 0.2684 ( 16552 PWs) bands (ev): -71.0991 -71.0991 -71.0991 -71.0991 -40.8772 -40.8772 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6043 -39.6043 -39.6043 -39.6043 -14.2295 -14.2295 -14.2294 -14.2294 -3.2732 -3.2732 -3.2583 -3.2583 -2.2231 -2.2231 -2.0870 -2.0870 -1.6504 -1.6504 -1.4941 -1.4941 -1.0029 -1.0029 -0.9810 -0.9810 3.8988 3.8988 3.9625 3.9625 5.2674 5.2674 5.4177 5.4177 5.5167 5.5167 5.5383 5.5383 6.6189 6.6189 6.6190 6.6190 6.8292 6.8292 6.8318 6.8318 7.0308 7.0308 7.0421 7.0421 7.5670 7.5670 7.5820 7.5820 8.0566 8.0566 8.0780 8.0780 9.1493 9.1493 k = 0.2273 0.5000 0.2684 ( 16556 PWs) bands (ev): -71.0992 -71.0992 -71.0992 -71.0992 -40.8772 -40.8772 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6043 -39.6043 -39.6043 -39.6043 -14.2285 -14.2285 -14.2285 -14.2285 -3.2687 -3.2687 -3.2533 -3.2533 -2.2202 -2.2202 -2.0761 -2.0761 -1.6640 -1.6640 -1.4975 -1.4975 -1.0199 -1.0199 -0.9953 -0.9953 3.8879 3.8879 3.9536 3.9536 5.2629 5.2629 5.4210 5.4210 5.5159 5.5159 5.5415 5.5415 6.6125 6.6125 6.6126 6.6126 6.8181 6.8181 6.8189 6.8189 7.0371 7.0371 7.0501 7.0501 7.5429 7.5429 7.5586 7.5586 8.0401 8.0401 8.0583 8.0583 9.1759 9.1759 k = 0.2424 0.5000 0.2684 ( 16564 PWs) bands (ev): -71.0995 -71.0995 -71.0995 -71.0995 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2276 -14.2276 -14.2275 -14.2275 -3.2643 -3.2643 -3.2486 -3.2486 -2.2161 -2.2161 -2.0643 -2.0643 -1.6776 -1.6776 -1.5010 -1.5010 -1.0379 -1.0379 -1.0105 -1.0105 3.8778 3.8778 3.9452 3.9452 5.2577 5.2577 5.4213 5.4213 5.5156 5.5156 5.5440 5.5440 6.6072 6.6072 6.6074 6.6074 6.8052 6.8052 6.8059 6.8059 7.0421 7.0421 7.0569 7.0569 7.5181 7.5181 7.5343 7.5343 8.0225 8.0225 8.0375 8.0375 9.2063 9.2063 k = 0.2576 0.5000 0.2684 ( 16572 PWs) bands (ev): -71.0997 -71.0997 -71.0997 -71.0997 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2266 -14.2266 -14.2266 -14.2266 -3.2600 -3.2600 -3.2442 -3.2442 -2.2108 -2.2108 -2.0518 -2.0518 -1.6912 -1.6912 -1.5047 -1.5047 -1.0568 -1.0568 -1.0264 -1.0264 3.8688 3.8688 3.9372 3.9372 5.2519 5.2519 5.4186 5.4186 5.5159 5.5159 5.5461 5.5461 6.6025 6.6025 6.6027 6.6027 6.7917 6.7917 6.7941 6.7941 7.0470 7.0470 7.0636 7.0636 7.4938 7.4938 7.5104 7.5104 8.0035 8.0035 8.0153 8.0153 9.2403 9.2403 k = 0.2727 0.5000 0.2684 ( 16560 PWs) bands (ev): -71.0993 -71.0993 -71.0993 -71.0993 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2257 -14.2257 -14.2257 -14.2257 -3.2560 -3.2560 -3.2401 -3.2401 -2.2041 -2.2041 -2.0383 -2.0383 -1.7046 -1.7046 -1.5086 -1.5086 -1.0764 -1.0764 -1.0430 -1.0430 3.8611 3.8611 3.9300 3.9300 5.2456 5.2456 5.4131 5.4131 5.5173 5.5173 5.5480 5.5480 6.6007 6.6007 6.6009 6.6009 6.7802 6.7802 6.7841 6.7841 7.0528 7.0528 7.0712 7.0712 7.4705 7.4705 7.4875 7.4875 7.9858 7.9858 7.9946 7.9946 9.2772 9.2772 k = 0.2879 0.5000 0.2684 ( 16564 PWs) bands (ev): -71.0994 -71.0994 -71.0994 -71.0994 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2248 -14.2248 -14.2247 -14.2247 -3.2522 -3.2522 -3.2365 -3.2365 -2.1961 -2.1961 -2.0240 -2.0240 -1.7180 -1.7180 -1.5128 -1.5128 -1.0966 -1.0966 -1.0602 -1.0602 3.8546 3.8546 3.9233 3.9233 5.2387 5.2387 5.4046 5.4046 5.5188 5.5188 5.5491 5.5491 6.5988 6.5988 6.5990 6.5990 6.7680 6.7680 6.7734 6.7734 7.0562 7.0562 7.0765 7.0765 7.4459 7.4459 7.4632 7.4632 7.9669 7.9669 7.9730 7.9730 9.3165 9.3165 k = 0.3030 0.5000 0.2684 ( 16556 PWs) bands (ev): -71.0991 -71.0991 -71.0991 -71.0991 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2239 -14.2239 -14.2238 -14.2238 -3.2486 -3.2486 -3.2332 -3.2332 -2.1868 -2.1868 -2.0088 -2.0088 -1.7312 -1.7312 -1.5175 -1.5175 -1.1171 -1.1171 -1.0778 -1.0778 3.8494 3.8494 3.9174 3.9174 5.2315 5.2315 5.3935 5.3935 5.5209 5.5209 5.5497 5.5497 6.5977 6.5977 6.5980 6.5980 6.7561 6.7561 6.7628 6.7628 7.0622 7.0622 7.0841 7.0841 7.4231 7.4231 7.4407 7.4407 7.9498 7.9498 7.9536 7.9536 9.3573 9.3573 k = 0.3182 0.5000 0.2684 ( 16556 PWs) bands (ev): -71.0991 -71.0991 -71.0991 -71.0991 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2230 -14.2230 -14.2229 -14.2229 -3.2453 -3.2453 -3.2305 -3.2305 -2.1760 -2.1760 -1.9929 -1.9929 -1.7443 -1.7443 -1.5226 -1.5226 -1.1377 -1.1377 -1.0956 -1.0956 3.8455 3.8455 3.9120 3.9120 5.2239 5.2239 5.3802 5.3802 5.5226 5.5226 5.5492 5.5492 6.5977 6.5977 6.5981 6.5981 6.7446 6.7446 6.7525 6.7525 7.0662 7.0662 7.0896 7.0896 7.3996 7.3996 7.4175 7.4175 7.9333 7.9333 7.9351 7.9351 9.3990 9.3990 k = 0.3333 0.5000 0.2684 ( 16564 PWs) bands (ev): -71.0993 -71.0993 -71.0993 -71.0993 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2221 -14.2221 -14.2221 -14.2221 -3.2424 -3.2424 -3.2281 -3.2281 -2.1640 -2.1640 -1.9763 -1.9763 -1.7571 -1.7571 -1.5285 -1.5285 -1.1579 -1.1579 -1.1135 -1.1135 3.8428 3.8428 3.9073 3.9073 5.2162 5.2162 5.3654 5.3654 5.5239 5.5239 5.5484 5.5484 6.5979 6.5979 6.5986 6.5986 6.7334 6.7334 6.7424 6.7424 7.0682 7.0682 7.0932 7.0932 7.3755 7.3755 7.3936 7.3936 7.9177 7.9177 7.9180 7.9180 9.4408 9.4408 k = 0.3485 0.5000 0.2684 ( 16556 PWs) bands (ev): -71.0990 -71.0990 -71.0990 -71.0990 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2213 -14.2213 -14.2213 -14.2213 -3.2397 -3.2397 -3.2262 -3.2262 -2.1507 -2.1507 -1.9594 -1.9594 -1.7694 -1.7694 -1.5353 -1.5353 -1.1775 -1.1775 -1.1313 -1.1313 3.8415 3.8415 3.9032 3.9032 5.2089 5.2089 5.3496 5.3496 5.5253 5.5253 5.5475 5.5475 6.5995 6.5995 6.6004 6.6004 6.7235 6.7235 6.7334 6.7334 7.0724 7.0724 7.0988 7.0988 7.3534 7.3534 7.3718 7.3718 7.9039 7.9039 7.9047 7.9047 9.4822 9.4822 k = 0.3636 0.5000 0.2684 ( 16540 PWs) bands (ev): -71.0986 -71.0986 -71.0986 -71.0986 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2206 -14.2206 -14.2205 -14.2205 -3.2372 -3.2372 -3.2248 -3.2248 -2.1361 -2.1361 -1.9427 -1.9427 -1.7807 -1.7807 -1.5434 -1.5434 -1.1961 -1.1961 -1.1488 -1.1488 3.8413 3.8413 3.8997 3.8997 5.2022 5.2022 5.3332 5.3332 5.5265 5.5265 5.5465 5.5465 6.6022 6.6022 6.6035 6.6035 6.7155 6.7155 6.7260 6.7260 7.0770 7.0770 7.1043 7.1043 7.3322 7.3322 7.3511 7.3511 7.8925 7.8925 7.8942 7.8942 9.5223 9.5223 k = 0.3788 0.5000 0.2684 ( 16564 PWs) bands (ev): -71.0992 -71.0992 -71.0992 -71.0992 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6043 -39.6043 -39.6043 -39.6043 -14.2199 -14.2199 -14.2199 -14.2199 -3.2351 -3.2351 -3.2237 -3.2237 -2.1205 -2.1205 -1.9272 -1.9272 -1.7902 -1.7902 -1.5528 -1.5528 -1.2131 -1.2131 -1.1659 -1.1659 3.8420 3.8420 3.8962 3.8962 5.1960 5.1960 5.3159 5.3159 5.5271 5.5271 5.5448 5.5448 6.6014 6.6014 6.6035 6.6035 6.7038 6.7038 6.7150 6.7150 7.0798 7.0798 7.1076 7.1076 7.3099 7.3099 7.3291 7.3291 7.8787 7.8787 7.8809 7.8809 9.5605 9.5605 k = 0.3939 0.5000 0.2684 ( 16580 PWs) bands (ev): -71.0997 -71.0997 -71.0997 -71.0997 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2193 -14.2193 -14.2192 -14.2192 -3.2332 -3.2332 -3.2230 -3.2230 -2.1039 -2.1039 -1.9147 -1.9147 -1.7964 -1.7964 -1.5640 -1.5640 -1.2282 -1.2282 -1.1822 -1.1822 3.8438 3.8438 3.8931 3.8931 5.1909 5.1909 5.2984 5.2984 5.5273 5.5273 5.5423 5.5423 6.6024 6.6024 6.6052 6.6052 6.6952 6.6952 6.7069 6.7069 7.0813 7.0813 7.1092 7.1092 7.2876 7.2876 7.3068 7.3068 7.8691 7.8691 7.8716 7.8716 9.5960 9.5960 k = 0.4091 0.5000 0.2684 ( 16576 PWs) bands (ev): -71.0996 -71.0996 -71.0996 -71.0996 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2187 -14.2187 -14.2187 -14.2187 -3.2315 -3.2315 -3.2226 -3.2226 -2.0865 -2.0865 -1.9076 -1.9076 -1.7967 -1.7967 -1.5771 -1.5771 -1.2410 -1.2410 -1.1977 -1.1977 3.8464 3.8464 3.8901 3.8901 5.1870 5.1870 5.2812 5.2812 5.5275 5.5275 5.5401 5.5401 6.6062 6.6062 6.6095 6.6095 6.6872 6.6872 6.6988 6.6988 7.0858 7.0858 7.1132 7.1132 7.2703 7.2703 7.2894 7.2894 7.8617 7.8617 7.8642 7.8642 9.6284 9.6284 k = 0.4242 0.5000 0.2684 ( 16580 PWs) bands (ev): -71.0997 -71.0997 -71.0997 -71.0997 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2182 -14.2182 -14.2182 -14.2182 -3.2300 -3.2300 -3.2225 -3.2225 -2.0684 -2.0684 -1.9079 -1.9079 -1.7897 -1.7897 -1.5921 -1.5921 -1.2512 -1.2512 -1.2120 -1.2120 3.8495 3.8495 3.8871 3.8871 5.1847 5.1847 5.2646 5.2646 5.5278 5.5278 5.5381 5.5381 6.6090 6.6090 6.6127 6.6127 6.6801 6.6801 6.6913 6.6913 7.0908 7.0908 7.1171 7.1171 7.2531 7.2531 7.2718 7.2718 7.8545 7.8545 7.8568 7.8568 9.6571 9.6571 k = 0.4394 0.5000 0.2684 ( 16572 PWs) bands (ev): -71.0994 -71.0994 -71.0994 -71.0994 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2178 -14.2178 -14.2178 -14.2178 -3.2287 -3.2287 -3.2226 -3.2226 -2.0498 -2.0498 -1.9148 -1.9148 -1.7760 -1.7760 -1.6092 -1.6092 -1.2585 -1.2585 -1.2251 -1.2251 3.8531 3.8531 3.8839 3.8839 5.1841 5.1841 5.2490 5.2490 5.5281 5.5281 5.5362 5.5362 6.6134 6.6134 6.6173 6.6173 6.6748 6.6748 6.6850 6.6850 7.0968 7.0968 7.1209 7.1209 7.2401 7.2401 7.2577 7.2577 7.8496 7.8496 7.8517 7.8517 9.6815 9.6815 k = 0.4545 0.5000 0.2684 ( 16556 PWs) bands (ev): -71.0990 -71.0990 -71.0990 -71.0990 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6042 -39.6042 -14.2175 -14.2175 -14.2175 -14.2175 -3.2275 -3.2275 -3.2229 -3.2229 -2.0310 -2.0310 -1.9264 -1.9264 -1.7577 -1.7577 -1.6280 -1.6280 -1.2630 -1.2630 -1.2366 -1.2366 3.8572 3.8572 3.8808 3.8808 5.1854 5.1854 5.2347 5.2347 5.5285 5.5285 5.5346 5.5346 6.6191 6.6191 6.6230 6.6230 6.6710 6.6710 6.6797 6.6797 7.1036 7.1036 7.1241 7.1241 7.2298 7.2298 7.2452 7.2452 7.8473 7.8473 7.8489 7.8489 9.7013 9.7013 k = 0.4697 0.5000 0.2684 ( 16564 PWs) bands (ev): -71.0992 -71.0992 -71.0992 -71.0992 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6042 -39.6042 -14.2173 -14.2173 -14.2173 -14.2173 -3.2265 -3.2265 -3.2233 -3.2233 -2.0121 -2.0121 -1.9410 -1.9410 -1.7369 -1.7369 -1.6484 -1.6484 -1.2647 -1.2647 -1.2464 -1.2464 3.8614 3.8614 3.8773 3.8773 5.1887 5.1887 5.2218 5.2218 5.5290 5.5290 5.5329 5.5329 6.6191 6.6191 6.6222 6.6222 6.6686 6.6686 6.6751 6.6751 7.1092 7.1092 7.1246 7.1246 7.2213 7.2213 7.2331 7.2331 7.8451 7.8451 7.8462 7.8462 9.7159 9.7159 k = 0.4848 0.5000 0.2684 ( 16588 PWs) bands (ev): -71.0999 -71.0999 -71.0999 -71.0999 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2172 -14.2172 -14.2172 -14.2172 -3.2255 -3.2255 -3.2239 -3.2239 -1.9933 -1.9933 -1.9574 -1.9574 -1.7148 -1.7148 -1.6700 -1.6700 -1.2637 -1.2637 -1.2543 -1.2543 3.8654 3.8654 3.8734 3.8734 5.1939 5.1939 5.2106 5.2106 5.5292 5.5292 5.5311 5.5311 6.6203 6.6203 6.6221 6.6221 6.6668 6.6668 6.6704 6.6704 7.1120 7.1120 7.1202 7.1202 7.2151 7.2151 7.2215 7.2215 7.8412 7.8412 7.8418 7.8418 9.7252 9.7252 k = 0.5000 0.5000 0.2684 ( 16592 PWs) bands (ev): -71.1000 -71.1000 -71.1000 -71.1000 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2247 -3.2247 -3.2247 -3.2247 -1.9750 -1.9750 -1.9750 -1.9750 -1.6923 -1.6923 -1.6923 -1.6923 -1.2602 -1.2602 -1.2602 -1.2602 3.8695 3.8695 3.8695 3.8695 5.2012 5.2012 5.2012 5.2012 5.5302 5.5302 5.5302 5.5302 6.6212 6.6212 6.6212 6.6212 6.6652 6.6652 6.6652 6.6652 7.1180 7.1180 7.1180 7.1180 7.2158 7.2158 7.2158 7.2158 7.8423 7.8423 7.8423 7.8423 9.7290 9.7290 k = 0.5000 0.5000 0.2684 ( 16592 PWs) bands (ev): -71.1000 -71.1000 -71.1000 -71.1000 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2247 -3.2247 -3.2247 -3.2247 -1.9750 -1.9750 -1.9750 -1.9750 -1.6923 -1.6923 -1.6923 -1.6923 -1.2602 -1.2602 -1.2602 -1.2602 3.8695 3.8695 3.8695 3.8695 5.2012 5.2012 5.2012 5.2012 5.5302 5.5302 5.5302 5.5302 6.6212 6.6212 6.6212 6.6212 6.6652 6.6652 6.6652 6.6652 7.1180 7.1180 7.1180 7.1180 7.2158 7.2158 7.2158 7.2158 7.8423 7.8423 7.8423 7.8423 9.7290 9.7290 k = 0.4894 0.4894 0.2684 ( 16592 PWs) bands (ev): -71.1000 -71.1000 -71.1000 -71.1000 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2172 -14.2172 -14.2171 -14.2171 -3.2255 -3.2255 -3.2240 -3.2240 -1.9932 -1.9932 -1.9575 -1.9575 -1.7146 -1.7146 -1.6701 -1.6701 -1.2637 -1.2637 -1.2543 -1.2543 3.8652 3.8652 3.8736 3.8736 5.1939 5.1939 5.2105 5.2105 5.5291 5.5291 5.5311 5.5311 6.6194 6.6194 6.6220 6.6220 6.6658 6.6658 6.6693 6.6693 7.1108 7.1108 7.1205 7.1205 7.2149 7.2149 7.2227 7.2227 7.8412 7.8412 7.8422 7.8422 9.7243 9.7243 k = 0.4787 0.4787 0.2684 ( 16580 PWs) bands (ev): -71.1000 -71.1000 -71.0993 -71.0993 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2176 -14.2176 -14.2170 -14.2170 -3.2264 -3.2264 -3.2234 -3.2234 -2.0118 -2.0118 -1.9412 -1.9412 -1.7365 -1.7365 -1.6487 -1.6487 -1.2652 -1.2652 -1.2461 -1.2461 3.8597 3.8597 3.8787 3.8787 5.1882 5.1882 5.2219 5.2219 5.5283 5.5283 5.5327 5.5327 6.6148 6.6148 6.6277 6.6277 6.6656 6.6656 6.6734 6.6734 7.1033 7.1033 7.1265 7.1265 7.2142 7.2142 7.2374 7.2374 7.8428 7.8428 7.8459 7.8459 9.7114 9.7114 k = 0.4681 0.4681 0.2684 ( 16564 PWs) bands (ev): -71.0993 -71.0993 -71.0991 -71.0991 -40.8773 -40.8773 -40.8772 -40.8772 -39.7274 -39.7274 -39.7273 -39.7273 -39.6043 -39.6043 -39.6042 -39.6042 -14.2182 -14.2182 -14.2168 -14.2168 -3.2274 -3.2274 -3.2229 -3.2229 -2.0308 -2.0308 -1.9267 -1.9267 -1.7571 -1.7571 -1.6283 -1.6283 -1.2647 -1.2647 -1.2355 -1.2355 3.8527 3.8527 3.8857 3.8857 5.1838 5.1838 5.2355 5.2355 5.5280 5.5280 5.5350 5.5350 6.6102 6.6102 6.6306 6.6306 6.6674 6.6674 6.6811 6.6811 7.0969 7.0969 7.1351 7.1351 7.2149 7.2149 7.2537 7.2537 7.8428 7.8428 7.8520 7.8520 9.6907 9.6907 k = 0.4574 0.4574 0.2684 ( 16564 PWs) bands (ev): -71.0993 -71.0993 -71.0991 -71.0991 -40.8773 -40.8773 -40.8771 -40.8771 -39.7275 -39.7275 -39.7272 -39.7272 -39.6043 -39.6043 -39.6042 -39.6042 -14.2191 -14.2191 -14.2166 -14.2166 -3.2283 -3.2283 -3.2227 -3.2227 -2.0499 -2.0499 -1.9149 -1.9149 -1.7752 -1.7752 -1.6091 -1.6091 -1.2622 -1.2622 -1.2226 -1.2226 3.8438 3.8438 3.8947 3.8947 5.1803 5.1803 5.2509 5.2509 5.5272 5.5272 5.5377 5.5377 6.6035 6.6035 6.6311 6.6311 6.6698 6.6698 6.6883 6.6883 7.0869 7.0869 7.1470 7.1470 7.2147 7.2147 7.2715 7.2715 7.8413 7.8413 7.8576 7.8576 9.6632 9.6632 k = 0.4468 0.4468 0.2684 ( 16572 PWs) bands (ev): -71.0996 -71.0996 -71.0993 -71.0993 -40.8773 -40.8773 -40.8771 -40.8771 -39.7276 -39.7276 -39.7272 -39.7272 -39.6043 -39.6043 -39.6042 -39.6042 -14.2201 -14.2201 -14.2163 -14.2163 -3.2293 -3.2293 -3.2225 -3.2225 -2.0691 -2.0691 -1.9073 -1.9073 -1.7893 -1.7893 -1.5913 -1.5913 -1.2580 -1.2580 -1.2076 -1.2076 3.8339 3.8339 3.9062 3.9062 5.1773 5.1773 5.2674 5.2674 5.5258 5.5258 5.5400 5.5400 6.5950 6.5950 6.6369 6.6369 6.6703 6.6703 6.6954 6.6954 7.0742 7.0742 7.1565 7.1565 7.2128 7.2128 7.2919 7.2919 7.8431 7.8431 7.8659 7.8659 9.6302 9.6302 k = 0.4362 0.4362 0.2684 ( 16576 PWs) bands (ev): -71.0998 -71.0998 -71.0994 -71.0994 -40.8774 -40.8774 -40.8770 -40.8770 -39.7276 -39.7276 -39.7271 -39.7271 -39.6043 -39.6043 -39.6042 -39.6042 -14.2215 -14.2215 -14.2159 -14.2159 -3.2304 -3.2304 -3.2224 -3.2224 -2.0883 -2.0883 -1.9051 -1.9051 -1.7980 -1.7980 -1.5748 -1.5748 -1.2519 -1.2519 -1.1911 -1.1911 3.8237 3.8237 3.9199 3.9199 5.1745 5.1745 5.2848 5.2848 5.5245 5.5245 5.5428 5.5428 6.5862 6.5862 6.6412 6.6412 6.6730 6.6730 6.7004 6.7004 7.0656 7.0656 7.1691 7.1691 7.2097 7.2097 7.3151 7.3151 7.8451 7.8451 7.8790 7.8790 9.5933 9.5933 k = 0.4255 0.4255 0.2684 ( 16568 PWs) bands (ev): -71.0996 -71.0996 -71.0991 -71.0991 -40.8774 -40.8774 -40.8770 -40.8770 -39.7277 -39.7277 -39.7270 -39.7270 -39.6043 -39.6043 -39.6043 -39.6043 -14.2230 -14.2230 -14.2155 -14.2155 -3.2316 -3.2316 -3.2223 -3.2223 -2.1075 -2.1075 -1.9084 -1.9084 -1.8009 -1.8009 -1.5595 -1.5595 -1.2439 -1.2439 -1.1733 -1.1733 3.8133 3.8133 3.9360 3.9360 5.1716 5.1716 5.3024 5.3024 5.5228 5.5228 5.5460 5.5460 6.5779 6.5779 6.6513 6.6513 6.6745 6.6745 6.7078 6.7078 7.0580 7.0580 7.1856 7.1856 7.2067 7.2067 7.3434 7.3434 7.8470 7.8470 7.8925 7.8925 9.5537 9.5537 k = 0.4149 0.4149 0.2684 ( 16570 PWs) bands (ev): -71.0998 -71.0998 -71.0991 -71.0991 -40.8775 -40.8775 -40.8769 -40.8769 -39.7278 -39.7278 -39.7268 -39.7268 -39.6044 -39.6044 -39.6042 -39.6042 -14.2247 -14.2247 -14.2151 -14.2151 -3.2329 -3.2329 -3.2220 -3.2220 -2.1266 -2.1266 -1.9158 -1.9158 -1.7998 -1.7998 -1.5453 -1.5453 -1.2340 -1.2340 -1.1548 -1.1548 3.8038 3.8038 3.9542 3.9542 5.1683 5.1683 5.3192 5.3192 5.5206 5.5206 5.5486 5.5486 6.5708 6.5708 6.6576 6.6576 6.6818 6.6818 6.7150 6.7150 7.0509 7.0509 7.1990 7.1990 7.2072 7.2072 7.3696 7.3696 7.8440 7.8440 7.9077 7.9077 9.5131 9.5131 k = 0.4043 0.4043 0.2684 ( 16570 PWs) bands (ev): -71.1000 -71.1000 -71.0989 -71.0989 -40.8776 -40.8776 -40.8768 -40.8768 -39.7280 -39.7280 -39.7267 -39.7267 -39.6044 -39.6044 -39.6042 -39.6042 -14.2267 -14.2267 -14.2145 -14.2145 -3.2346 -3.2346 -3.2214 -3.2214 -2.1455 -2.1455 -1.9249 -1.9249 -1.7967 -1.7967 -1.5321 -1.5321 -1.2222 -1.2222 -1.1361 -1.1361 3.7957 3.7957 3.9750 3.9750 5.1644 5.1644 5.3350 5.3350 5.5178 5.5178 5.5516 5.5516 6.5629 6.5629 6.6623 6.6623 6.6879 6.6879 6.7223 6.7223 7.0450 7.0450 7.2015 7.2015 7.2256 7.2256 7.3975 7.3975 7.8444 7.8444 7.9236 7.9236 9.4726 9.4726 k = 0.3936 0.3936 0.2684 ( 16574 PWs) bands (ev): -71.1000 -71.1000 -71.0991 -71.0991 -40.8776 -40.8776 -40.8768 -40.8768 -39.7281 -39.7281 -39.7266 -39.7266 -39.6044 -39.6044 -39.6042 -39.6042 -14.2289 -14.2289 -14.2140 -14.2140 -3.2366 -3.2366 -3.2204 -3.2204 -2.1642 -2.1642 -1.9343 -1.9343 -1.7933 -1.7933 -1.5198 -1.5198 -1.2086 -1.2086 -1.1175 -1.1175 3.7892 3.7892 3.9982 3.9982 5.1594 5.1594 5.3488 5.3488 5.5141 5.5141 5.5542 5.5542 6.5549 6.5549 6.6725 6.6725 6.6951 6.6951 6.7299 6.7299 7.0379 7.0379 7.1997 7.1997 7.2498 7.2498 7.4246 7.4246 7.8435 7.8435 7.9374 7.9374 9.4333 9.4333 k = 0.3830 0.3830 0.2684 ( 16566 PWs) bands (ev): -71.0994 -71.0994 -71.0993 -71.0993 -40.8777 -40.8777 -40.8767 -40.8767 -39.7282 -39.7282 -39.7264 -39.7264 -39.6044 -39.6044 -39.6042 -39.6042 -14.2312 -14.2312 -14.2134 -14.2134 -3.2390 -3.2390 -3.2188 -3.2188 -2.1825 -2.1825 -1.9428 -1.9428 -1.7905 -1.7905 -1.5082 -1.5082 -1.1934 -1.1934 -1.0993 -1.0993 3.7853 3.7853 4.0237 4.0237 5.1532 5.1532 5.3607 5.3607 5.5096 5.5096 5.5568 5.5568 6.5479 6.5479 6.6847 6.6847 6.7025 6.7025 6.7383 6.7383 7.0327 7.0327 7.1969 7.1969 7.2777 7.2777 7.4555 7.4555 7.8453 7.8453 7.9540 7.9540 9.3964 9.3964 k = 0.3723 0.3723 0.2684 ( 16548 PWs) bands (ev): -71.0991 -71.0991 -71.0986 -71.0986 -40.8778 -40.8778 -40.8766 -40.8766 -39.7283 -39.7283 -39.7263 -39.7263 -39.6044 -39.6044 -39.6042 -39.6042 -14.2338 -14.2338 -14.2127 -14.2127 -3.2418 -3.2418 -3.2167 -3.2167 -2.2003 -2.2003 -1.9499 -1.9499 -1.7889 -1.7889 -1.4974 -1.4974 -1.1770 -1.1770 -1.0818 -1.0818 3.7843 3.7843 4.0516 4.0516 5.1457 5.1457 5.3700 5.3700 5.5045 5.5045 5.5591 5.5591 6.5422 6.5422 6.6993 6.6993 6.7125 6.7125 6.7472 6.7472 7.0294 7.0294 7.1956 7.1956 7.3085 7.3085 7.4863 7.4863 7.8471 7.8471 7.9724 7.9724 9.3624 9.3624 k = 0.3617 0.3617 0.2684 ( 16544 PWs) bands (ev): -71.0989 -71.0989 -71.0986 -71.0986 -40.8779 -40.8779 -40.8764 -40.8764 -39.7285 -39.7285 -39.7261 -39.7261 -39.6044 -39.6044 -39.6041 -39.6041 -14.2365 -14.2365 -14.2120 -14.2120 -3.2450 -3.2450 -3.2138 -3.2138 -2.2174 -2.2174 -1.9555 -1.9555 -1.7887 -1.7887 -1.4871 -1.4871 -1.1600 -1.1600 -1.0649 -1.0649 3.7863 3.7863 4.0816 4.0816 5.1365 5.1365 5.3759 5.3759 5.4987 5.4987 5.5605 5.5605 6.5351 6.5351 6.7112 6.7112 6.7236 6.7236 6.7560 6.7560 7.0296 7.0296 7.1937 7.1937 7.3373 7.3373 7.5178 7.5178 7.8470 7.8470 7.9897 7.9897 9.3321 9.3321 k = 0.3511 0.3511 0.2684 ( 16552 PWs) bands (ev): -71.0991 -71.0991 -71.0989 -71.0989 -40.8780 -40.8780 -40.8763 -40.8763 -39.7287 -39.7287 -39.7259 -39.7259 -39.6045 -39.6045 -39.6041 -39.6041 -14.2394 -14.2394 -14.2112 -14.2112 -3.2485 -3.2485 -3.2103 -3.2103 -2.2337 -2.2337 -1.9594 -1.9594 -1.7898 -1.7898 -1.4774 -1.4774 -1.1429 -1.1429 -1.0485 -1.0485 3.7915 3.7915 4.1137 4.1137 5.1254 5.1254 5.3784 5.3784 5.4919 5.4919 5.5618 5.5618 6.5261 6.5261 6.7237 6.7237 6.7346 6.7346 6.7641 6.7641 7.0278 7.0278 7.1890 7.1890 7.3692 7.3692 7.5493 7.5493 7.8470 7.8470 8.0065 8.0065 9.3058 9.3058 k = 0.3404 0.3404 0.2684 ( 16544 PWs) bands (ev): -71.0989 -71.0989 -71.0987 -71.0987 -40.8781 -40.8781 -40.8762 -40.8762 -39.7288 -39.7288 -39.7257 -39.7257 -39.6045 -39.6045 -39.6041 -39.6041 -14.2424 -14.2424 -14.2104 -14.2104 -3.2522 -3.2522 -3.2062 -3.2062 -2.2492 -2.2492 -1.9616 -1.9616 -1.7923 -1.7923 -1.4684 -1.4684 -1.1266 -1.1266 -1.0322 -1.0322 3.8001 3.8001 4.1484 4.1484 5.1124 5.1124 5.3774 5.3774 5.4852 5.4852 5.5633 5.5633 6.5185 6.5185 6.7372 6.7372 6.7471 6.7471 6.7753 6.7753 7.0282 7.0282 7.1880 7.1880 7.4035 7.4035 7.5816 7.5816 7.8488 7.8488 8.0230 8.0230 9.2839 9.2839 k = 0.3298 0.3298 0.2684 ( 16542 PWs) bands (ev): -71.0988 -71.0988 -71.0986 -71.0986 -40.8782 -40.8782 -40.8761 -40.8761 -39.7290 -39.7290 -39.7255 -39.7255 -39.6045 -39.6045 -39.6041 -39.6041 -14.2455 -14.2455 -14.2096 -14.2096 -3.2560 -3.2560 -3.2013 -3.2013 -2.2636 -2.2636 -1.9622 -1.9622 -1.7959 -1.7959 -1.4601 -1.4601 -1.1120 -1.1120 -1.0156 -1.0156 3.8119 3.8119 4.1849 4.1849 5.0975 5.0975 5.3720 5.3720 5.4786 5.4786 5.5647 5.5647 6.5099 6.5099 6.7526 6.7526 6.7606 6.7606 6.7871 6.7871 7.0302 7.0302 7.1863 7.1863 7.4391 7.4391 7.6139 7.6139 7.8476 7.8476 8.0371 8.0371 9.2664 9.2664 k = 0.3191 0.3191 0.2684 ( 16550 PWs) bands (ev): -71.0993 -71.0993 -71.0986 -71.0986 -40.8783 -40.8783 -40.8760 -40.8760 -39.7292 -39.7292 -39.7253 -39.7253 -39.6046 -39.6046 -39.6041 -39.6041 -14.2488 -14.2488 -14.2088 -14.2088 -3.2600 -3.2600 -3.1957 -3.1957 -2.2771 -2.2771 -1.9611 -1.9611 -1.8004 -1.8004 -1.4525 -1.4525 -1.0997 -1.0997 -0.9983 -0.9983 3.8268 3.8268 4.2233 4.2233 5.0807 5.0807 5.3623 5.3623 5.4728 5.4728 5.5666 5.5666 6.5005 6.5005 6.7644 6.7644 6.7754 6.7754 6.7995 6.7995 7.0333 7.0333 7.1810 7.1810 7.4770 7.4770 7.6461 7.6461 7.8457 7.8457 8.0494 8.0494 9.2535 9.2535 k = 0.3085 0.3085 0.2684 ( 16548 PWs) bands (ev): -71.0995 -71.0995 -71.0983 -71.0983 -40.8785 -40.8785 -40.8758 -40.8758 -39.7294 -39.7294 -39.7250 -39.7250 -39.6046 -39.6046 -39.6040 -39.6040 -14.2521 -14.2521 -14.2079 -14.2079 -3.2640 -3.2640 -3.1894 -3.1894 -2.2894 -2.2894 -1.9585 -1.9585 -1.8057 -1.8057 -1.4459 -1.4459 -1.0901 -1.0901 -0.9803 -0.9803 3.8447 3.8447 4.2637 4.2637 5.0621 5.0621 5.3487 5.3487 5.4677 5.4677 5.5684 5.5684 6.4916 6.4916 6.7807 6.7807 6.7912 6.7912 6.8145 6.8145 7.0371 7.0371 7.1774 7.1774 7.5156 7.5156 7.6776 7.6776 7.8450 7.8450 8.0610 8.0610 9.2449 9.2449 k = 0.2979 0.2979 0.2684 ( 16540 PWs) bands (ev): -71.0993 -71.0993 -71.0981 -71.0981 -40.8786 -40.8786 -40.8757 -40.8757 -39.7296 -39.7296 -39.7248 -39.7248 -39.6046 -39.6046 -39.6040 -39.6040 -14.2556 -14.2556 -14.2070 -14.2070 -3.2679 -3.2679 -3.1825 -3.1825 -2.3007 -2.3007 -1.9543 -1.9543 -1.8116 -1.8116 -1.4405 -1.4405 -1.0833 -1.0833 -0.9616 -0.9616 3.8649 3.8649 4.3063 4.3063 5.0421 5.0421 5.3319 5.3319 5.4638 5.4638 5.5710 5.5710 6.4812 6.4812 6.7974 6.7974 6.8063 6.8063 6.8306 6.8306 7.0416 7.0416 7.1764 7.1764 7.5568 7.5568 7.7098 7.7098 7.8473 7.8473 8.0719 8.0719 9.2406 9.2406 k = 0.2872 0.2872 0.2684 ( 16512 PWs) bands (ev): -71.0981 -71.0981 -71.0977 -71.0977 -40.8787 -40.8787 -40.8756 -40.8756 -39.7298 -39.7298 -39.7246 -39.7246 -39.6046 -39.6046 -39.6040 -39.6040 -14.2591 -14.2591 -14.2061 -14.2061 -3.2717 -3.2717 -3.1749 -3.1749 -2.3109 -2.3109 -1.9488 -1.9488 -1.8179 -1.8179 -1.4363 -1.4363 -1.0790 -1.0790 -0.9427 -0.9427 3.8871 3.8871 4.3505 4.3505 5.0212 5.0212 5.3129 5.3129 5.4615 5.4615 5.5754 5.5754 6.4711 6.4711 6.8152 6.8152 6.8240 6.8240 6.8502 6.8502 7.0498 7.0498 7.1757 7.1757 7.6024 7.6024 7.7447 7.7447 7.8479 7.8479 8.0809 8.0809 9.2404 9.2404 k = 0.2766 0.2766 0.2684 ( 16518 PWs) bands (ev): -71.0981 -71.0981 -71.0981 -71.0981 -40.8788 -40.8788 -40.8754 -40.8754 -39.7300 -39.7300 -39.7243 -39.7243 -39.6047 -39.6047 -39.6039 -39.6039 -14.2627 -14.2627 -14.2052 -14.2052 -3.2752 -3.2752 -3.1668 -3.1668 -2.3200 -2.3200 -1.9418 -1.9418 -1.8243 -1.8243 -1.4338 -1.4338 -1.0766 -1.0766 -0.9240 -0.9240 3.9104 3.9104 4.3963 4.3963 4.9993 4.9993 5.2922 5.2922 5.4586 5.4586 5.5785 5.5785 6.4586 6.4586 6.8300 6.8300 6.8407 6.8407 6.8688 6.8688 7.0558 7.0558 7.1716 7.1716 7.6443 7.6443 7.7749 7.7749 7.8465 7.8465 8.0888 8.0888 9.2438 9.2438 k = 0.2660 0.2660 0.2684 ( 16520 PWs) bands (ev): -71.0984 -71.0984 -71.0978 -71.0978 -40.8789 -40.8789 -40.8753 -40.8753 -39.7302 -39.7302 -39.7241 -39.7241 -39.6047 -39.6047 -39.6039 -39.6039 -14.2663 -14.2663 -14.2043 -14.2043 -3.2783 -3.2783 -3.1583 -3.1583 -2.3280 -2.3280 -1.9336 -1.9336 -1.8308 -1.8308 -1.4331 -1.4331 -1.0755 -1.0755 -0.9061 -0.9061 3.9343 3.9343 4.4436 4.4436 4.9772 4.9772 5.2711 5.2711 5.4562 5.4562 5.5823 5.5823 6.4447 6.4447 6.8440 6.8440 6.8583 6.8583 6.8886 6.8886 7.0622 7.0622 7.1703 7.1703 7.6874 7.6874 7.8042 7.8042 7.8455 7.8455 8.0969 8.0969 9.2509 9.2509 k = 0.2553 0.2553 0.2684 ( 16522 PWs) bands (ev): -71.0983 -71.0983 -71.0981 -71.0981 -40.8791 -40.8791 -40.8751 -40.8751 -39.7304 -39.7304 -39.7239 -39.7239 -39.6047 -39.6047 -39.6039 -39.6039 -14.2699 -14.2699 -14.2034 -14.2034 -3.2811 -3.2811 -3.1493 -3.1493 -2.3349 -2.3349 -1.9241 -1.9241 -1.8371 -1.8371 -1.4345 -1.4345 -1.0754 -1.0754 -0.8895 -0.8895 3.9581 3.9581 4.4921 4.4921 4.9552 4.9552 5.2503 5.2503 5.4540 5.4540 5.5852 5.5852 6.4319 6.4319 6.8577 6.8577 6.8763 6.8763 6.9115 6.9115 7.0706 7.0706 7.1690 7.1690 7.7272 7.7272 7.8327 7.8327 7.8442 7.8442 8.1057 8.1057 9.2614 9.2614 k = 0.2447 0.2447 0.2684 ( 16524 PWs) bands (ev): -71.0983 -71.0983 -71.0982 -71.0982 -40.8792 -40.8792 -40.8750 -40.8750 -39.7307 -39.7307 -39.7236 -39.7236 -39.6048 -39.6048 -39.6039 -39.6039 -14.2736 -14.2736 -14.2025 -14.2025 -3.2833 -3.2833 -3.1400 -3.1400 -2.3409 -2.3409 -1.9133 -1.9133 -1.8433 -1.8433 -1.4382 -1.4382 -1.0756 -1.0756 -0.8744 -0.8744 3.9808 3.9808 4.5415 4.5415 4.9342 4.9342 5.2307 5.2307 5.4523 5.4523 5.5886 5.5886 6.4175 6.4175 6.8708 6.8708 6.8939 6.8939 6.9355 6.9355 7.0817 7.0817 7.1687 7.1687 7.7659 7.7659 7.8418 7.8418 7.8614 7.8614 8.1149 8.1149 9.2750 9.2750 k = 0.2340 0.2340 0.2684 ( 16522 PWs) bands (ev): -71.0984 -71.0984 -71.0981 -71.0981 -40.8793 -40.8793 -40.8749 -40.8749 -39.7309 -39.7309 -39.7234 -39.7234 -39.6048 -39.6048 -39.6039 -39.6039 -14.2772 -14.2772 -14.2016 -14.2016 -3.2850 -3.2850 -3.1305 -3.1305 -2.3457 -2.3457 -1.9014 -1.9014 -1.8490 -1.8490 -1.4445 -1.4445 -1.0758 -1.0758 -0.8612 -0.8612 4.0016 4.0016 4.5916 4.5916 4.9151 4.9151 5.2139 5.2139 5.4509 5.4509 5.5929 5.5929 6.4053 6.4053 6.8838 6.8838 6.9109 6.9109 6.9581 6.9581 7.0915 7.0915 7.1681 7.1681 7.8029 7.8029 7.8410 7.8410 7.8879 7.8879 8.1281 8.1281 9.2907 9.2907 k = 0.2234 0.2234 0.2684 ( 16540 PWs) bands (ev): -71.0990 -71.0990 -71.0985 -71.0985 -40.8795 -40.8795 -40.8747 -40.8747 -39.7311 -39.7311 -39.7232 -39.7232 -39.6049 -39.6049 -39.6038 -39.6038 -14.2808 -14.2808 -14.2007 -14.2007 -3.2860 -3.2860 -3.1209 -3.1209 -2.3496 -2.3496 -1.8885 -1.8885 -1.8543 -1.8543 -1.4533 -1.4533 -1.0758 -1.0758 -0.8501 -0.8501 4.0195 4.0195 4.6411 4.6411 4.8990 4.8990 5.1997 5.1997 5.4492 5.4492 5.5976 5.5976 6.3870 6.3870 6.8947 6.8947 6.9233 6.9233 6.9804 6.9804 7.1008 7.1008 7.1695 7.1695 7.8266 7.8266 7.8481 7.8481 7.9121 7.9121 8.1430 8.1430 9.3014 9.3014 k = 0.2128 0.2128 0.2684 ( 16540 PWs) bands (ev): -71.0990 -71.0990 -71.0985 -71.0985 -40.8796 -40.8796 -40.8746 -40.8746 -39.7313 -39.7313 -39.7229 -39.7229 -39.6049 -39.6049 -39.6038 -39.6038 -14.2844 -14.2844 -14.1998 -14.1998 -3.2864 -3.2864 -3.1114 -3.1114 -2.3523 -2.3523 -1.8749 -1.8749 -1.8585 -1.8585 -1.4647 -1.4647 -1.0752 -1.0752 -0.8413 -0.8413 4.0342 4.0342 4.6885 4.6885 4.8874 4.8874 5.1893 5.1893 5.4483 5.4483 5.6017 5.6017 6.3746 6.3746 6.9054 6.9054 6.9363 6.9363 7.0083 7.0083 7.1121 7.1121 7.1739 7.1739 7.8243 7.8243 7.8742 7.8742 7.9356 7.9356 8.1615 8.1615 9.2962 9.2962 k = 0.2021 0.2021 0.2684 ( 16540 PWs) bands (ev): -71.0995 -71.0995 -71.0981 -71.0981 -40.8797 -40.8797 -40.8744 -40.8744 -39.7315 -39.7315 -39.7227 -39.7227 -39.6049 -39.6049 -39.6038 -39.6038 -14.2879 -14.2879 -14.1990 -14.1990 -3.2860 -3.2860 -3.1022 -3.1022 -2.3540 -2.3540 -1.8672 -1.8672 -1.8553 -1.8553 -1.4784 -1.4784 -1.0742 -1.0742 -0.8349 -0.8349 4.0448 4.0448 4.7301 4.7301 4.8842 4.8842 5.1825 5.1825 5.4475 5.4475 5.6055 5.6055 6.3614 6.3614 6.9152 6.9152 6.9484 6.9484 7.0347 7.0347 7.1265 7.1265 7.1813 7.1813 7.8202 7.8202 7.8988 7.8988 7.9573 7.9573 8.1822 8.1822 9.2837 9.2837 k = 0.1915 0.1915 0.2684 ( 16546 PWs) bands (ev): -71.0995 -71.0995 -71.0985 -71.0985 -40.8799 -40.8799 -40.8743 -40.8743 -39.7317 -39.7317 -39.7225 -39.7225 -39.6050 -39.6050 -39.6038 -39.6038 -14.2913 -14.2913 -14.1981 -14.1981 -3.2850 -3.2850 -3.0933 -3.0933 -2.3546 -2.3546 -1.8698 -1.8698 -1.8402 -1.8402 -1.4944 -1.4944 -1.0728 -1.0728 -0.8310 -0.8310 4.0510 4.0510 4.7592 4.7592 4.8965 4.8965 5.1801 5.1801 5.4471 5.4471 5.6106 5.6106 6.3465 6.3465 6.9224 6.9224 6.9590 6.9590 7.0606 7.0606 7.1355 7.1355 7.1909 7.1909 7.8156 7.8156 7.9205 7.9205 7.9765 7.9765 8.2073 8.2073 9.2695 9.2695 k = 0.1809 0.1809 0.2684 ( 16546 PWs) bands (ev): -71.1002 -71.1002 -71.0978 -71.0978 -40.8800 -40.8800 -40.8742 -40.8742 -39.7320 -39.7320 -39.7222 -39.7222 -39.6050 -39.6050 -39.6037 -39.6037 -14.2947 -14.2947 -14.1973 -14.1973 -3.2831 -3.2831 -3.0849 -3.0849 -2.3541 -2.3541 -1.8733 -1.8733 -1.8227 -1.8227 -1.5122 -1.5122 -1.0712 -1.0712 -0.8294 -0.8294 4.0529 4.0529 4.7718 4.7718 4.9270 4.9270 5.1818 5.1818 5.4470 5.4470 5.6146 5.6146 6.3337 6.3337 6.9288 6.9288 6.9689 6.9689 7.0887 7.0887 7.1511 7.1511 7.2031 7.2031 7.8084 7.8084 7.9347 7.9347 7.9939 7.9939 8.2363 8.2363 9.2543 9.2543 k = 0.1702 0.1702 0.2684 ( 16546 PWs) bands (ev): -71.0997 -71.0997 -71.0984 -71.0984 -40.8801 -40.8801 -40.8741 -40.8741 -39.7321 -39.7321 -39.7220 -39.7220 -39.6050 -39.6050 -39.6037 -39.6037 -14.2979 -14.2979 -14.1966 -14.1966 -3.2805 -3.2805 -3.0772 -3.0772 -2.3524 -2.3524 -1.8767 -1.8767 -1.8038 -1.8038 -1.5315 -1.5315 -1.0698 -1.0698 -0.8301 -0.8301 4.0506 4.0506 4.7740 4.7740 4.9710 4.9710 5.1873 5.1873 5.4477 5.4477 5.6207 5.6207 6.3191 6.3191 6.9335 6.9335 6.9775 6.9775 7.1137 7.1137 7.1632 7.1632 7.2162 7.2162 7.8040 7.8040 7.9463 7.9463 8.0097 8.0097 8.2689 8.2689 9.2386 9.2386 k = 0.1596 0.1596 0.2684 ( 16548 PWs) bands (ev): -71.0997 -71.0997 -71.0985 -71.0985 -40.8802 -40.8802 -40.8739 -40.8739 -39.7323 -39.7323 -39.7218 -39.7218 -39.6051 -39.6051 -39.6037 -39.6037 -14.3011 -14.3011 -14.1958 -14.1958 -3.2772 -3.2772 -3.0702 -3.0702 -2.3496 -2.3496 -1.8799 -1.8799 -1.7837 -1.7837 -1.5518 -1.5518 -1.0688 -1.0688 -0.8329 -0.8329 4.0446 4.0446 4.7718 4.7718 5.0208 5.0208 5.1963 5.1963 5.4487 5.4487 5.6271 5.6271 6.3048 6.3048 6.9349 6.9349 6.9838 6.9838 7.1397 7.1397 7.1776 7.1776 7.2312 7.2312 7.7977 7.7977 7.9514 7.9514 8.0235 8.0235 8.3061 8.3061 9.2216 9.2216 k = 0.1489 0.1489 0.2684 ( 16542 PWs) bands (ev): -71.0995 -71.0995 -71.0984 -71.0984 -40.8803 -40.8803 -40.8738 -40.8738 -39.7325 -39.7325 -39.7216 -39.7216 -39.6051 -39.6051 -39.6037 -39.6037 -14.3041 -14.3041 -14.1951 -14.1951 -3.2732 -3.2732 -3.0642 -3.0642 -2.3456 -2.3456 -1.8830 -1.8830 -1.7625 -1.7625 -1.5727 -1.5727 -1.0687 -1.0687 -0.8373 -0.8373 4.0353 4.0353 4.7687 4.7687 5.0728 5.0728 5.2082 5.2082 5.4505 5.4505 5.6344 5.6344 6.2941 6.2941 6.9346 6.9346 6.9895 6.9895 7.1643 7.1643 7.1931 7.1931 7.2475 7.2475 7.7917 7.7917 7.9517 7.9517 8.0361 8.0361 8.3471 8.3471 9.2039 9.2039 k = 0.1383 0.1383 0.2684 ( 16542 PWs) bands (ev): -71.0997 -71.0997 -71.0982 -71.0982 -40.8804 -40.8804 -40.8737 -40.8737 -39.7327 -39.7327 -39.7214 -39.7214 -39.6051 -39.6051 -39.6036 -39.6036 -14.3069 -14.3069 -14.1944 -14.1944 -3.2685 -3.2685 -3.0591 -3.0591 -2.3405 -2.3405 -1.8862 -1.8862 -1.7403 -1.7403 -1.5936 -1.5936 -1.0701 -1.0701 -0.8431 -0.8431 4.0236 4.0236 4.7655 4.7655 5.1247 5.1247 5.2222 5.2222 5.4529 5.4529 5.6420 5.6420 6.2825 6.2825 6.9303 6.9303 6.9942 6.9942 7.1871 7.1871 7.2115 7.2115 7.2659 7.2659 7.7839 7.7839 7.9457 7.9457 8.0473 8.0473 8.3916 8.3916 9.1853 9.1853 k = 0.1277 0.1277 0.2684 ( 16534 PWs) bands (ev): -71.1002 -71.1002 -71.0973 -71.0973 -40.8805 -40.8805 -40.8736 -40.8736 -39.7328 -39.7328 -39.7213 -39.7213 -39.6052 -39.6052 -39.6036 -39.6036 -14.3096 -14.3096 -14.1938 -14.1938 -3.2632 -3.2632 -3.0551 -3.0551 -2.3343 -2.3343 -1.8894 -1.8894 -1.7175 -1.7175 -1.6138 -1.6138 -1.0735 -1.0735 -0.8496 -0.8496 4.0104 4.0104 4.7633 4.7633 5.1747 5.1747 5.2385 5.2385 5.4544 5.4544 5.6513 5.6513 6.2718 6.2718 6.9249 6.9249 6.9998 6.9998 7.2079 7.2079 7.2353 7.2353 7.2868 7.2868 7.7748 7.7748 7.9358 7.9358 8.0561 8.0561 8.4394 8.4394 9.1642 9.1642 k = 0.1170 0.1170 0.2684 ( 16510 PWs) bands (ev): -71.0993 -71.0993 -71.0969 -71.0969 -40.8806 -40.8806 -40.8735 -40.8735 -39.7329 -39.7329 -39.7211 -39.7211 -39.6052 -39.6052 -39.6036 -39.6036 -14.3121 -14.3121 -14.1932 -14.1932 -3.2573 -3.2573 -3.0521 -3.0521 -2.3272 -2.3272 -1.8930 -1.8930 -1.6955 -1.6955 -1.6315 -1.6315 -1.0795 -1.0795 -0.8564 -0.8564 3.9958 3.9958 4.7626 4.7626 5.2192 5.2192 5.2601 5.2601 5.4588 5.4588 5.6624 5.6624 6.2611 6.2611 6.9193 6.9193 7.0041 7.0041 7.2248 7.2248 7.2602 7.2602 7.3095 7.3095 7.7682 7.7682 7.9242 7.9242 8.0656 8.0656 8.4914 8.4914 9.1448 9.1448 k = 0.1064 0.1064 0.2684 ( 16530 PWs) bands (ev): -71.1005 -71.1005 -71.0969 -71.0969 -40.8807 -40.8807 -40.8734 -40.8734 -39.7331 -39.7331 -39.7209 -39.7209 -39.6052 -39.6052 -39.6035 -39.6035 -14.3145 -14.3145 -14.1926 -14.1926 -3.2511 -3.2511 -3.0502 -3.0502 -2.3193 -2.3193 -1.8970 -1.8970 -1.6809 -1.6809 -1.6395 -1.6395 -1.0885 -1.0885 -0.8628 -0.8628 3.9805 3.9805 4.7614 4.7614 5.2486 5.2486 5.2917 5.2917 5.4617 5.4617 5.6732 5.6732 6.2503 6.2503 6.9082 6.9082 7.0066 7.0066 7.2395 7.2395 7.2801 7.2801 7.3286 7.3286 7.7552 7.7552 7.9064 7.9064 8.0727 8.0727 8.5418 8.5418 9.1234 9.1234 k = 0.0957 0.0957 0.2684 ( 16548 PWs) bands (ev): -71.1010 -71.1010 -71.0975 -71.0975 -40.8808 -40.8808 -40.8733 -40.8733 -39.7333 -39.7333 -39.7208 -39.7208 -39.6052 -39.6052 -39.6035 -39.6035 -14.3166 -14.3166 -14.1921 -14.1921 -3.2445 -3.2445 -3.0493 -3.0493 -2.3107 -2.3107 -1.9016 -1.9016 -1.6858 -1.6858 -1.6255 -1.6255 -1.1010 -1.1010 -0.8683 -0.8683 3.9651 3.9651 4.7617 4.7617 5.2662 5.2662 5.3312 5.3312 5.4653 5.4653 5.6862 5.6862 6.2361 6.2361 6.8974 6.8974 7.0062 7.0062 7.2514 7.2514 7.3002 7.3002 7.3493 7.3493 7.7435 7.7435 7.8886 7.8886 8.0792 8.0792 8.5930 8.5930 9.1029 9.1029 k = 0.0851 0.0851 0.2684 ( 16552 PWs) bands (ev): -71.1007 -71.1007 -71.0980 -71.0980 -40.8809 -40.8809 -40.8733 -40.8733 -39.7334 -39.7334 -39.7207 -39.7207 -39.6052 -39.6052 -39.6035 -39.6035 -14.3186 -14.3186 -14.1917 -14.1917 -3.2377 -3.2377 -3.0493 -3.0493 -2.3016 -2.3016 -1.9069 -1.9069 -1.6990 -1.6990 -1.6003 -1.6003 -1.1170 -1.1170 -0.8729 -0.8729 3.9502 3.9502 4.7628 4.7628 5.2801 5.2801 5.3697 5.3697 5.4713 5.4713 5.7012 5.7012 6.2252 6.2252 6.8860 6.8860 7.0067 7.0067 7.2599 7.2599 7.3194 7.3194 7.3698 7.3698 7.7326 7.7326 7.8704 7.8704 8.0858 8.0858 8.6439 8.6439 9.0870 9.0870 k = 0.0745 0.0745 0.2684 ( 16546 PWs) bands (ev): -71.1012 -71.1012 -71.0972 -71.0972 -40.8809 -40.8809 -40.8732 -40.8732 -39.7335 -39.7335 -39.7206 -39.7206 -39.6053 -39.6053 -39.6035 -39.6035 -14.3203 -14.3203 -14.1913 -14.1913 -3.2309 -3.2309 -3.0500 -3.0500 -2.2923 -2.2923 -1.9129 -1.9129 -1.7124 -1.7124 -1.5719 -1.5719 -1.1365 -1.1365 -0.8762 -0.8762 3.9364 3.9364 4.7640 4.7640 5.2907 5.2907 5.4043 5.4043 5.4761 5.4761 5.7183 5.7183 6.2185 6.2185 6.8739 6.8739 7.0084 7.0084 7.2723 7.2723 7.3408 7.3408 7.3933 7.3933 7.7205 7.7205 7.8517 7.8517 8.0911 8.0911 8.6906 8.6906 9.0721 9.0721 k = 0.0638 0.0638 0.2684 ( 16556 PWs) bands (ev): -71.1022 -71.1022 -71.0969 -71.0969 -40.8810 -40.8810 -40.8731 -40.8731 -39.7336 -39.7336 -39.7205 -39.7205 -39.6053 -39.6053 -39.6035 -39.6035 -14.3219 -14.3219 -14.1909 -14.1909 -3.2242 -3.2242 -3.0515 -3.0515 -2.2831 -2.2831 -1.9195 -1.9195 -1.7243 -1.7243 -1.5418 -1.5418 -1.1592 -1.1592 -0.8785 -0.8785 3.9239 3.9239 4.7653 4.7653 5.2986 5.2986 5.4334 5.4334 5.4802 5.4802 5.7362 5.7362 6.2122 6.2122 6.8610 6.8610 7.0116 7.0116 7.2813 7.2813 7.3574 7.3574 7.4127 7.4127 7.7064 7.7064 7.8333 7.8333 8.0954 8.0954 8.7315 8.7315 9.0599 9.0599 k = 0.0532 0.0532 0.2684 ( 16548 PWs) bands (ev): -71.1022 -71.1022 -71.0965 -71.0965 -40.8811 -40.8811 -40.8731 -40.8731 -39.7337 -39.7337 -39.7204 -39.7204 -39.6053 -39.6053 -39.6034 -39.6034 -14.3232 -14.3232 -14.1906 -14.1906 -3.2179 -3.2179 -3.0533 -3.0533 -2.2742 -2.2742 -1.9263 -1.9263 -1.7343 -1.7343 -1.5107 -1.5107 -1.1846 -1.1846 -0.8800 -0.8800 3.9127 3.9127 4.7672 4.7672 5.3059 5.3059 5.4566 5.4566 5.4868 5.4868 5.7548 5.7548 6.2075 6.2075 6.8502 6.8502 7.0126 7.0126 7.2903 7.2903 7.3737 7.3737 7.4323 7.4323 7.6931 7.6931 7.8176 7.8176 8.0999 8.0999 8.7651 8.7651 9.0573 9.0573 k = 0.0426 0.0426 0.2684 ( 16544 PWs) bands (ev): -71.1017 -71.1017 -71.0967 -71.0967 -40.8811 -40.8811 -40.8730 -40.8730 -39.7337 -39.7337 -39.7203 -39.7203 -39.6053 -39.6053 -39.6034 -39.6034 -14.3242 -14.3242 -14.1904 -14.1904 -3.2122 -3.2122 -3.0553 -3.0553 -2.2662 -2.2662 -1.9329 -1.9329 -1.7423 -1.7423 -1.4788 -1.4788 -1.2121 -1.2121 -0.8808 -0.8808 3.9032 3.9032 4.7696 4.7696 5.3124 5.3124 5.4736 5.4736 5.4952 5.4952 5.7722 5.7722 6.2023 6.2023 6.8396 6.8396 7.0127 7.0127 7.2946 7.2946 7.3861 7.3861 7.4480 7.4480 7.6814 7.6814 7.8049 7.8049 8.1038 8.1038 8.7903 8.7903 9.0631 9.0631 k = 0.0319 0.0319 0.2684 ( 16540 PWs) bands (ev): -71.1015 -71.1015 -71.0967 -71.0967 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7203 -39.7203 -39.6053 -39.6053 -39.6034 -39.6034 -14.3251 -14.3251 -14.1902 -14.1902 -3.2074 -3.2074 -3.0573 -3.0573 -2.2593 -2.2593 -1.9389 -1.9389 -1.7482 -1.7482 -1.4466 -1.4466 -1.2413 -1.2413 -0.8812 -0.8812 3.8957 3.8957 4.7718 4.7718 5.3169 5.3169 5.4841 5.4841 5.5037 5.5037 5.7878 5.7878 6.1979 6.1979 6.8309 6.8309 7.0127 7.0127 7.2996 7.2996 7.3969 7.3969 7.4620 7.4620 7.6704 7.6704 7.7948 7.7948 8.1069 8.1069 8.8060 8.8060 9.0722 9.0722 k = 0.0213 0.0213 0.2684 ( 16536 PWs) bands (ev): -71.1008 -71.1008 -71.0972 -71.0972 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6053 -39.6053 -39.6034 -39.6034 -14.3257 -14.3257 -14.1900 -14.1900 -3.2037 -3.2037 -3.0590 -3.0590 -2.2541 -2.2541 -1.9437 -1.9437 -1.7524 -1.7524 -1.4148 -1.4148 -1.2711 -1.2711 -0.8813 -0.8813 3.8902 3.8902 4.7737 4.7737 5.3206 5.3206 5.4904 5.4904 5.5110 5.5110 5.7997 5.7997 6.1933 6.1933 6.8250 6.8250 7.0123 7.0123 7.3017 7.3017 7.4033 7.4033 7.4715 7.4715 7.6658 7.6658 7.7879 7.7879 8.1091 8.1091 8.8154 8.8154 9.0832 9.0832 k = 0.0106 0.0106 0.2684 ( 16530 PWs) bands (ev): -71.1003 -71.1003 -71.0973 -71.0973 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6053 -39.6053 -39.6034 -39.6034 -14.3260 -14.3260 -14.1899 -14.1899 -3.2014 -3.2014 -3.0601 -3.0601 -2.2508 -2.2508 -1.9468 -1.9468 -1.7548 -1.7548 -1.3853 -1.3853 -1.2994 -1.2994 -0.8814 -0.8814 3.8869 3.8869 4.7747 4.7747 5.3229 5.3229 5.4941 5.4941 5.5156 5.5156 5.8072 5.8072 6.1924 6.1924 6.8212 6.8212 7.0128 7.0128 7.3028 7.3028 7.4070 7.4070 7.4772 7.4772 7.6633 7.6633 7.7835 7.7835 8.1104 8.1104 8.8202 8.8202 9.0918 9.0918 k = 0.0000 0.0000 0.2684 ( 16520 PWs) bands (ev): -71.0996 -71.0996 -71.0974 -71.0974 -40.8811 -40.8811 -40.8730 -40.8730 -39.7338 -39.7338 -39.7202 -39.7202 -39.6053 -39.6053 -39.6034 -39.6034 -14.3262 -14.3262 -14.1899 -14.1899 -3.2006 -3.2006 -3.0605 -3.0605 -2.2496 -2.2496 -1.9479 -1.9479 -1.7556 -1.7556 -1.3692 -1.3692 -1.3152 -1.3152 -0.8814 -0.8814 3.8858 3.8858 4.7760 4.7760 5.3240 5.3240 5.4956 5.4956 5.5172 5.5172 5.8099 5.8099 6.1919 6.1919 6.8212 6.8212 7.0132 7.0132 7.3012 7.3012 7.4084 7.4084 7.4793 7.4793 7.6647 7.6647 7.7837 7.7837 8.1109 8.1109 8.8221 8.8221 9.0954 9.0954 k = 0.0000 0.5000-0.0000 ( 16586 PWs) bands (ev): -71.1002 -71.1002 -71.1002 -71.1002 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.2953 -3.2953 -3.2953 -3.2953 -2.1900 -2.1900 -2.1900 -2.1900 -1.5536 -1.5536 -1.5536 -1.5536 -0.8627 -0.8627 -0.8627 -0.8627 4.1880 4.1880 4.1880 4.1880 5.2990 5.2990 5.2990 5.2990 5.5100 5.5100 5.5100 5.5100 6.7115 6.7115 6.7115 6.7115 6.8145 6.8145 6.8145 6.8145 6.9732 6.9732 6.9732 6.9732 7.5856 7.5856 7.5856 7.5856 8.1396 8.1396 8.1396 8.1396 9.3935 9.3935 k = 0.0000 0.5000 0.0149 ( 16598 PWs) bands (ev): -71.1006 -71.1006 -71.1006 -71.1006 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.2954 -3.2954 -3.2954 -3.2954 -2.1899 -2.1899 -2.1899 -2.1899 -1.5532 -1.5532 -1.5532 -1.5532 -0.8629 -0.8629 -0.8629 -0.8629 4.1868 4.1868 4.1868 4.1868 5.2985 5.2985 5.2985 5.2985 5.5096 5.5096 5.5096 5.5096 6.7102 6.7102 6.7102 6.7102 6.8145 6.8145 6.8145 6.8145 6.9722 6.9722 6.9722 6.9722 7.5872 7.5872 7.5872 7.5872 8.1371 8.1371 8.1371 8.1371 9.3903 9.3903 k = 0.0000 0.5000 0.0298 ( 16578 PWs) bands (ev): -71.1000 -71.1000 -71.1000 -71.1000 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.2958 -3.2958 -3.2958 -3.2958 -2.1899 -2.1899 -2.1899 -2.1899 -1.5519 -1.5519 -1.5519 -1.5519 -0.8634 -0.8634 -0.8634 -0.8634 4.1833 4.1833 4.1833 4.1833 5.2993 5.2993 5.2993 5.2993 5.5101 5.5101 5.5101 5.5101 6.7129 6.7129 6.7129 6.7129 6.8174 6.8174 6.8174 6.8174 6.9728 6.9728 6.9728 6.9728 7.5924 7.5924 7.5924 7.5924 8.1373 8.1373 8.1373 8.1373 9.3814 9.3814 k = 0.0000 0.5000 0.0447 ( 16566 PWs) bands (ev): -71.0996 -71.0996 -71.0996 -71.0996 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.2964 -3.2964 -3.2964 -3.2964 -2.1898 -2.1898 -2.1898 -2.1898 -1.5499 -1.5499 -1.5499 -1.5499 -0.8643 -0.8643 -0.8643 -0.8643 4.1776 4.1776 4.1776 4.1776 5.2997 5.2997 5.2997 5.2997 5.5102 5.5102 5.5102 5.5102 6.7142 6.7142 6.7142 6.7142 6.8210 6.8210 6.8210 6.8210 6.9739 6.9739 6.9739 6.9739 7.6011 7.6011 7.6011 7.6011 8.1340 8.1340 8.1340 8.1340 9.3676 9.3676 k = 0.0000 0.5000 0.0596 ( 16560 PWs) bands (ev): -71.0995 -71.0995 -71.0995 -71.0995 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.2972 -3.2972 -3.2972 -3.2972 -2.1897 -2.1897 -2.1897 -2.1897 -1.5471 -1.5471 -1.5471 -1.5471 -0.8654 -0.8654 -0.8654 -0.8654 4.1699 4.1699 4.1699 4.1699 5.2998 5.2998 5.2998 5.2998 5.5100 5.5100 5.5100 5.5100 6.7150 6.7150 6.7150 6.7150 6.8248 6.8248 6.8248 6.8248 6.9757 6.9757 6.9757 6.9757 7.6122 7.6122 7.6122 7.6122 8.1285 8.1285 8.1285 8.1285 9.3491 9.3491 k = 0.0000 0.5000 0.0746 ( 16562 PWs) bands (ev): -71.0995 -71.0995 -71.0995 -71.0995 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.2982 -3.2982 -3.2982 -3.2982 -2.1896 -2.1896 -2.1896 -2.1896 -1.5436 -1.5436 -1.5436 -1.5436 -0.8669 -0.8669 -0.8669 -0.8669 4.1605 4.1605 4.1605 4.1605 5.2997 5.2997 5.2997 5.2997 5.5095 5.5095 5.5095 5.5095 6.7163 6.7163 6.7163 6.7163 6.8293 6.8293 6.8293 6.8293 6.9749 6.9749 6.9749 6.9749 7.6260 7.6260 7.6260 7.6260 8.1213 8.1213 8.1213 8.1213 9.3280 9.3280 k = 0.0000 0.5000 0.0895 ( 16558 PWs) bands (ev): -71.0994 -71.0994 -71.0994 -71.0994 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.2994 -3.2994 -3.2994 -3.2994 -2.1894 -2.1894 -2.1894 -2.1894 -1.5396 -1.5396 -1.5396 -1.5396 -0.8686 -0.8686 -0.8686 -0.8686 4.1497 4.1497 4.1497 4.1497 5.3000 5.3000 5.3000 5.3000 5.5091 5.5091 5.5091 5.5091 6.7183 6.7183 6.7183 6.7183 6.8342 6.8342 6.8342 6.8342 6.9747 6.9747 6.9747 6.9747 7.6419 7.6419 7.6419 7.6419 8.1147 8.1147 8.1147 8.1147 9.3048 9.3048 k = 0.0000 0.5000 0.1044 ( 16550 PWs) bands (ev): -71.0992 -71.0992 -71.0992 -71.0992 -40.8771 -40.8771 -40.8771 -40.8771 -39.7271 -39.7271 -39.7271 -39.7271 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3007 -3.3007 -3.3007 -3.3007 -2.1893 -2.1893 -2.1893 -2.1893 -1.5351 -1.5351 -1.5351 -1.5351 -0.8705 -0.8705 -0.8705 -0.8705 4.1379 4.1379 4.1379 4.1379 5.3003 5.3003 5.3003 5.3003 5.5088 5.5088 5.5088 5.5088 6.7197 6.7197 6.7197 6.7197 6.8402 6.8402 6.8402 6.8402 6.9754 6.9754 6.9754 6.9754 7.6608 7.6608 7.6608 7.6608 8.1067 8.1067 8.1067 8.1067 9.2809 9.2809 k = 0.0000 0.5000 0.1193 ( 16556 PWs) bands (ev): -71.0994 -71.0994 -71.0994 -71.0994 -40.8771 -40.8771 -40.8771 -40.8771 -39.7271 -39.7271 -39.7271 -39.7271 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3021 -3.3021 -3.3021 -3.3021 -2.1891 -2.1891 -2.1891 -2.1891 -1.5303 -1.5303 -1.5303 -1.5303 -0.8726 -0.8726 -0.8726 -0.8726 4.1254 4.1254 4.1254 4.1254 5.3001 5.3001 5.3001 5.3001 5.5078 5.5078 5.5078 5.5078 6.7209 6.7209 6.7209 6.7209 6.8453 6.8453 6.8453 6.8453 6.9751 6.9751 6.9751 6.9751 7.6800 7.6800 7.6800 7.6800 8.0975 8.0975 8.0975 8.0975 9.2565 9.2565 k = 0.0000 0.5000 0.1342 ( 16558 PWs) bands (ev): -71.0994 -71.0994 -71.0994 -71.0994 -40.8771 -40.8771 -40.8771 -40.8771 -39.7271 -39.7271 -39.7271 -39.7271 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3035 -3.3035 -3.3035 -3.3035 -2.1889 -2.1889 -2.1889 -2.1889 -1.5253 -1.5253 -1.5253 -1.5253 -0.8748 -0.8748 -0.8748 -0.8748 4.1126 4.1126 4.1126 4.1126 5.3001 5.3001 5.3001 5.3001 5.5069 5.5069 5.5069 5.5069 6.7223 6.7223 6.7223 6.7223 6.8507 6.8507 6.8507 6.8507 6.9745 6.9745 6.9745 6.9745 7.7009 7.7009 7.7009 7.7009 8.0888 8.0888 8.0888 8.0888 9.2325 9.2325 k = 0.0000 0.5000 0.1491 ( 16554 PWs) bands (ev): -71.0993 -71.0993 -71.0993 -71.0993 -40.8771 -40.8771 -40.8771 -40.8771 -39.7271 -39.7271 -39.7271 -39.7271 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3049 -3.3049 -3.3049 -3.3049 -2.1888 -2.1888 -2.1888 -2.1888 -1.5202 -1.5202 -1.5202 -1.5202 -0.8770 -0.8770 -0.8770 -0.8770 4.1001 4.1001 4.1001 4.1001 5.3002 5.3002 5.3002 5.3002 5.5062 5.5062 5.5062 5.5062 6.7239 6.7239 6.7239 6.7239 6.8569 6.8569 6.8569 6.8569 6.9744 6.9744 6.9744 6.9744 7.7228 7.7228 7.7228 7.7228 8.0807 8.0807 8.0807 8.0807 9.2094 9.2094 k = 0.0000 0.5000 0.1640 ( 16550 PWs) bands (ev): -71.0992 -71.0992 -71.0992 -71.0992 -40.8771 -40.8771 -40.8771 -40.8771 -39.7271 -39.7271 -39.7271 -39.7271 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3063 -3.3063 -3.3063 -3.3063 -2.1886 -2.1886 -2.1886 -2.1886 -1.5153 -1.5153 -1.5153 -1.5153 -0.8792 -0.8792 -0.8792 -0.8792 4.0880 4.0880 4.0880 4.0880 5.3004 5.3004 5.3004 5.3004 5.5054 5.5054 5.5054 5.5054 6.7260 6.7260 6.7260 6.7260 6.8632 6.8632 6.8632 6.8632 6.9731 6.9731 6.9731 6.9731 7.7444 7.7444 7.7444 7.7444 8.0731 8.0731 8.0731 8.0731 9.1878 9.1878 k = 0.0000 0.5000 0.1789 ( 16540 PWs) bands (ev): -71.0989 -71.0989 -71.0989 -71.0989 -40.8771 -40.8771 -40.8771 -40.8771 -39.7271 -39.7271 -39.7271 -39.7271 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3076 -3.3076 -3.3076 -3.3076 -2.1885 -2.1885 -2.1885 -2.1885 -1.5107 -1.5107 -1.5107 -1.5107 -0.8813 -0.8813 -0.8813 -0.8813 4.0769 4.0769 4.0769 4.0769 5.3005 5.3005 5.3005 5.3005 5.5048 5.5048 5.5048 5.5048 6.7277 6.7277 6.7277 6.7277 6.8690 6.8690 6.8690 6.8690 6.9740 6.9740 6.9740 6.9740 7.7656 7.7656 7.7656 7.7656 8.0662 8.0662 8.0662 8.0662 9.1679 9.1679 k = 0.0000 0.5000 0.1938 ( 16538 PWs) bands (ev): -71.0988 -71.0988 -71.0988 -71.0988 -40.8771 -40.8771 -40.8771 -40.8771 -39.7271 -39.7271 -39.7271 -39.7271 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3088 -3.3088 -3.3088 -3.3088 -2.1883 -2.1883 -2.1883 -2.1883 -1.5064 -1.5064 -1.5064 -1.5064 -0.8832 -0.8832 -0.8832 -0.8832 4.0668 4.0668 4.0668 4.0668 5.3005 5.3005 5.3005 5.3005 5.5041 5.5041 5.5041 5.5041 6.7285 6.7285 6.7285 6.7285 6.8738 6.8738 6.8738 6.8738 6.9737 6.9737 6.9737 6.9737 7.7856 7.7856 7.7856 7.7856 8.0593 8.0593 8.0593 8.0593 9.1499 9.1499 k = 0.0000 0.5000 0.2088 ( 16548 PWs) bands (ev): -71.0991 -71.0991 -71.0991 -71.0991 -40.8771 -40.8771 -40.8771 -40.8771 -39.7271 -39.7271 -39.7271 -39.7271 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3098 -3.3098 -3.3098 -3.3098 -2.1882 -2.1882 -2.1882 -2.1882 -1.5028 -1.5028 -1.5028 -1.5028 -0.8848 -0.8848 -0.8848 -0.8848 4.0582 4.0582 4.0582 4.0582 5.3003 5.3003 5.3003 5.3003 5.5031 5.5031 5.5031 5.5031 6.7291 6.7291 6.7291 6.7291 6.8765 6.8765 6.8765 6.8765 6.9722 6.9722 6.9722 6.9722 7.8018 7.8018 7.8018 7.8018 8.0534 8.0534 8.0534 8.0534 9.1342 9.1342 k = 0.0000 0.5000 0.2237 ( 16544 PWs) bands (ev): -71.0990 -71.0990 -71.0990 -71.0990 -40.8771 -40.8771 -40.8771 -40.8771 -39.7271 -39.7271 -39.7271 -39.7271 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3106 -3.3106 -3.3106 -3.3106 -2.1881 -2.1881 -2.1881 -2.1881 -1.4998 -1.4998 -1.4998 -1.4998 -0.8862 -0.8862 -0.8862 -0.8862 4.0513 4.0513 4.0513 4.0513 5.3004 5.3004 5.3004 5.3004 5.5027 5.5027 5.5027 5.5027 6.7305 6.7305 6.7305 6.7305 6.8786 6.8786 6.8786 6.8786 6.9729 6.9729 6.9729 6.9729 7.8161 7.8161 7.8161 7.8161 8.0494 8.0494 8.0494 8.0494 9.1217 9.1217 k = 0.0000 0.5000 0.2386 ( 16544 PWs) bands (ev): -71.0990 -71.0990 -71.0990 -71.0990 -40.8771 -40.8771 -40.8771 -40.8771 -39.7271 -39.7271 -39.7271 -39.7271 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3112 -3.3112 -3.3112 -3.3112 -2.1881 -2.1881 -2.1881 -2.1881 -1.4976 -1.4976 -1.4976 -1.4976 -0.8872 -0.8872 -0.8872 -0.8872 4.0462 4.0462 4.0462 4.0462 5.3004 5.3004 5.3004 5.3004 5.5023 5.5023 5.5023 5.5023 6.7314 6.7314 6.7314 6.7314 6.8804 6.8804 6.8804 6.8804 6.9727 6.9727 6.9727 6.9727 7.8264 7.8264 7.8264 7.8264 8.0465 8.0465 8.0465 8.0465 9.1124 9.1124 k = 0.0000 0.5000 0.2535 ( 16550 PWs) bands (ev): -71.0991 -71.0991 -71.0991 -71.0991 -40.8771 -40.8771 -40.8771 -40.8771 -39.7271 -39.7271 -39.7271 -39.7271 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3115 -3.3115 -3.3115 -3.3115 -2.1880 -2.1880 -2.1880 -2.1880 -1.4962 -1.4962 -1.4962 -1.4962 -0.8879 -0.8879 -0.8879 -0.8879 4.0431 4.0431 4.0431 4.0431 5.3004 5.3004 5.3004 5.3004 5.5018 5.5018 5.5018 5.5018 6.7321 6.7321 6.7321 6.7321 6.8811 6.8811 6.8811 6.8811 6.9715 6.9715 6.9715 6.9715 7.8319 7.8319 7.8319 7.8319 8.0447 8.0447 8.0447 8.0447 9.1066 9.1066 k = 0.0000 0.5000 0.2684 ( 16564 PWs) bands (ev): -71.0995 -71.0995 -71.0995 -71.0995 -40.8771 -40.8771 -40.8771 -40.8771 -39.7272 -39.7272 -39.7272 -39.7272 -39.6044 -39.6044 -39.6044 -39.6044 -14.2370 -14.2370 -14.2370 -14.2370 -3.3116 -3.3116 -3.3116 -3.3116 -2.1880 -2.1880 -2.1880 -2.1880 -1.4957 -1.4957 -1.4957 -1.4957 -0.8881 -0.8881 -0.8881 -0.8881 4.0421 4.0421 4.0421 4.0421 5.2999 5.2999 5.2999 5.2999 5.5013 5.5013 5.5013 5.5013 6.7306 6.7306 6.7306 6.7306 6.8802 6.8802 6.8802 6.8802 6.9711 6.9711 6.9711 6.9711 7.8340 7.8340 7.8340 7.8340 8.0424 8.0424 8.0424 8.0424 9.1046 9.1046 k = 0.5000 0.5000-0.0000 ( 16516 PWs) bands (ev): -71.0979 -71.0979 -71.0979 -71.0979 -40.8772 -40.8772 -40.8772 -40.8772 -39.7273 -39.7273 -39.7273 -39.7273 -39.6042 -39.6042 -39.6042 -39.6042 -14.2171 -14.2171 -14.2171 -14.2171 -3.2246 -3.2246 -3.2246 -3.2246 -1.9647 -1.9647 -1.9647 -1.9647 -1.6366 -1.6366 -1.6366 -1.6366 -1.3430 -1.3430 -1.3430 -1.3430 3.8509 3.8509 3.8509 3.8509 5.3085 5.3085 5.3085 5.3085 5.6185 5.6185 5.6185 5.6185 6.6175 6.6175 6.6175 6.6175 6.6375 6.6375 6.6375 6.6375 7.1408 7.1408 7.1408 7.1408 7.2275 7.2275 7.2275 7.2275 7.8512 7.8512 7.8512 7.8512 9.7086 9.7086 k = 0.5000 0.5000 0.0149 ( 16528 PWs) bands (ev): -71.0983 -71.0983 -71.0983 -71.0983 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6042 -39.6042 -39.6042 -39.6042 -14.2171 -14.2171 -14.2171 -14.2171 -3.2246 -3.2246 -3.2246 -3.2246 -1.9647 -1.9647 -1.9647 -1.9647 -1.6371 -1.6371 -1.6371 -1.6371 -1.3423 -1.3423 -1.3423 -1.3423 3.8509 3.8509 3.8509 3.8509 5.3077 5.3077 5.3077 5.3077 5.6171 5.6171 5.6171 5.6171 6.6177 6.6177 6.6177 6.6177 6.6375 6.6375 6.6375 6.6375 7.1372 7.1372 7.1372 7.1372 7.2270 7.2270 7.2270 7.2270 7.8509 7.8509 7.8509 7.8509 9.7088 9.7088 k = 0.5000 0.5000 0.0298 ( 16532 PWs) bands (ev): -71.0984 -71.0984 -71.0984 -71.0984 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6042 -39.6042 -39.6042 -39.6042 -14.2171 -14.2171 -14.2171 -14.2171 -3.2246 -3.2246 -3.2246 -3.2246 -1.9650 -1.9650 -1.9650 -1.9650 -1.6387 -1.6387 -1.6387 -1.6387 -1.3401 -1.3401 -1.3401 -1.3401 3.8512 3.8512 3.8512 3.8512 5.3058 5.3058 5.3058 5.3058 5.6140 5.6140 5.6140 5.6140 6.6185 6.6185 6.6185 6.6185 6.6382 6.6382 6.6382 6.6382 7.1361 7.1361 7.1361 7.1361 7.2267 7.2267 7.2267 7.2267 7.8498 7.8498 7.8498 7.8498 9.7092 9.7092 k = 0.5000 0.5000 0.0447 ( 16564 PWs) bands (ev): -71.0993 -71.0993 -71.0993 -71.0993 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6042 -39.6042 -39.6042 -39.6042 -14.2171 -14.2171 -14.2171 -14.2171 -3.2246 -3.2246 -3.2246 -3.2246 -1.9654 -1.9654 -1.9654 -1.9654 -1.6412 -1.6412 -1.6412 -1.6412 -1.3366 -1.3366 -1.3366 -1.3366 3.8519 3.8519 3.8519 3.8519 5.3026 5.3026 5.3026 5.3026 5.6090 5.6090 5.6090 5.6090 6.6173 6.6173 6.6173 6.6173 6.6373 6.6373 6.6373 6.6373 7.1348 7.1348 7.1348 7.1348 7.2204 7.2204 7.2204 7.2204 7.8464 7.8464 7.8464 7.8464 9.7100 9.7100 k = 0.5000 0.5000 0.0596 ( 16556 PWs) bands (ev): -71.0991 -71.0991 -71.0991 -71.0991 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6042 -39.6042 -39.6042 -39.6042 -14.2171 -14.2171 -14.2171 -14.2171 -3.2246 -3.2246 -3.2246 -3.2246 -1.9659 -1.9659 -1.9659 -1.9659 -1.6446 -1.6446 -1.6446 -1.6446 -1.3319 -1.3319 -1.3319 -1.3319 3.8528 3.8528 3.8528 3.8528 5.2985 5.2985 5.2985 5.2985 5.6028 5.6028 5.6028 5.6028 6.6185 6.6185 6.6185 6.6185 6.6396 6.6396 6.6396 6.6396 7.1348 7.1348 7.1348 7.1348 7.2219 7.2219 7.2219 7.2219 7.8458 7.8458 7.8458 7.8458 9.7110 9.7110 k = 0.5000 0.5000 0.0746 ( 16572 PWs) bands (ev): -71.0995 -71.0995 -71.0995 -71.0995 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2246 -3.2246 -3.2246 -3.2246 -1.9665 -1.9665 -1.9665 -1.9665 -1.6486 -1.6486 -1.6486 -1.6486 -1.3262 -1.3262 -1.3262 -1.3262 3.8539 3.8539 3.8539 3.8539 5.2928 5.2928 5.2928 5.2928 5.5952 5.5952 5.5952 5.5952 6.6187 6.6187 6.6187 6.6187 6.6389 6.6389 6.6389 6.6389 7.1328 7.1328 7.1328 7.1328 7.2206 7.2206 7.2206 7.2206 7.8459 7.8459 7.8459 7.8459 9.7122 9.7122 k = 0.5000 0.5000 0.0895 ( 16572 PWs) bands (ev): -71.0995 -71.0995 -71.0995 -71.0995 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2246 -3.2246 -3.2246 -3.2246 -1.9673 -1.9673 -1.9673 -1.9673 -1.6531 -1.6531 -1.6531 -1.6531 -1.3198 -1.3198 -1.3198 -1.3198 3.8552 3.8552 3.8552 3.8552 5.2862 5.2862 5.2862 5.2862 5.5872 5.5872 5.5872 5.5872 6.6184 6.6184 6.6184 6.6184 6.6407 6.6407 6.6407 6.6407 7.1325 7.1325 7.1325 7.1325 7.2222 7.2222 7.2222 7.2222 7.8447 7.8447 7.8447 7.8447 9.7137 9.7137 k = 0.5000 0.5000 0.1044 ( 16572 PWs) bands (ev): -71.0995 -71.0995 -71.0995 -71.0995 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2246 -3.2246 -3.2246 -3.2246 -1.9681 -1.9681 -1.9681 -1.9681 -1.6578 -1.6578 -1.6578 -1.6578 -1.3129 -1.3129 -1.3129 -1.3129 3.8567 3.8567 3.8567 3.8567 5.2785 5.2785 5.2785 5.2785 5.5789 5.5789 5.5789 5.5789 6.6192 6.6192 6.6192 6.6192 6.6434 6.6434 6.6434 6.6434 7.1313 7.1313 7.1313 7.1313 7.2222 7.2222 7.2222 7.2222 7.8442 7.8442 7.8442 7.8442 9.7153 9.7153 k = 0.5000 0.5000 0.1193 ( 16568 PWs) bands (ev): -71.0994 -71.0994 -71.0994 -71.0994 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2246 -3.2246 -3.2246 -3.2246 -1.9690 -1.9690 -1.9690 -1.9690 -1.6627 -1.6627 -1.6627 -1.6627 -1.3057 -1.3057 -1.3057 -1.3057 3.8583 3.8583 3.8583 3.8583 5.2699 5.2699 5.2699 5.2699 5.5708 5.5708 5.5708 5.5708 6.6192 6.6192 6.6192 6.6192 6.6457 6.6457 6.6457 6.6457 7.1302 7.1302 7.1302 7.1302 7.2249 7.2249 7.2249 7.2249 7.8446 7.8446 7.8446 7.8446 9.7170 9.7170 k = 0.5000 0.5000 0.1342 ( 16568 PWs) bands (ev): -71.0994 -71.0994 -71.0994 -71.0994 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2246 -3.2246 -3.2246 -3.2246 -1.9699 -1.9699 -1.9699 -1.9699 -1.6675 -1.6675 -1.6675 -1.6675 -1.2985 -1.2985 -1.2985 -1.2985 3.8601 3.8601 3.8601 3.8601 5.2607 5.2607 5.2607 5.2607 5.5629 5.5629 5.5629 5.5629 6.6200 6.6200 6.6200 6.6200 6.6505 6.6505 6.6505 6.6505 7.1264 7.1264 7.1264 7.1264 7.2243 7.2243 7.2243 7.2243 7.8448 7.8448 7.8448 7.8448 9.7188 9.7188 k = 0.5000 0.5000 0.1491 ( 16584 PWs) bands (ev): -71.0999 -71.0999 -71.0999 -71.0999 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2246 -3.2246 -3.2246 -3.2246 -1.9708 -1.9708 -1.9708 -1.9708 -1.6722 -1.6722 -1.6722 -1.6722 -1.2915 -1.2915 -1.2915 -1.2915 3.8617 3.8617 3.8617 3.8617 5.2510 5.2510 5.2510 5.2510 5.5557 5.5557 5.5557 5.5557 6.6205 6.6205 6.6205 6.6205 6.6513 6.6513 6.6513 6.6513 7.1239 7.1239 7.1239 7.1239 7.2214 7.2214 7.2214 7.2214 7.8437 7.8437 7.8437 7.8437 9.7205 9.7205 k = 0.5000 0.5000 0.1640 ( 16588 PWs) bands (ev): -71.1000 -71.1000 -71.1000 -71.1000 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2247 -3.2247 -3.2247 -3.2247 -1.9716 -1.9716 -1.9716 -1.9716 -1.6765 -1.6765 -1.6765 -1.6765 -1.2849 -1.2849 -1.2849 -1.2849 3.8633 3.8633 3.8633 3.8633 5.2414 5.2414 5.2414 5.2414 5.5496 5.5496 5.5496 5.5496 6.6204 6.6204 6.6204 6.6204 6.6536 6.6536 6.6536 6.6536 7.1237 7.1237 7.1237 7.1237 7.2196 7.2196 7.2196 7.2196 7.8427 7.8427 7.8427 7.8427 9.7223 9.7223 k = 0.5000 0.5000 0.1789 ( 16564 PWs) bands (ev): -71.0993 -71.0993 -71.0993 -71.0993 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2247 -3.2247 -3.2247 -3.2247 -1.9724 -1.9724 -1.9724 -1.9724 -1.6805 -1.6805 -1.6805 -1.6805 -1.2788 -1.2788 -1.2788 -1.2788 3.8649 3.8649 3.8649 3.8649 5.2322 5.2322 5.2322 5.2322 5.5444 5.5444 5.5444 5.5444 6.6233 6.6233 6.6233 6.6233 6.6595 6.6595 6.6595 6.6595 7.1231 7.1231 7.1231 7.1231 7.2211 7.2211 7.2211 7.2211 7.8438 7.8438 7.8438 7.8438 9.7239 9.7239 k = 0.5000 0.5000 0.1938 ( 16564 PWs) bands (ev): -71.0992 -71.0992 -71.0992 -71.0992 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2247 -3.2247 -3.2247 -3.2247 -1.9732 -1.9732 -1.9732 -1.9732 -1.6840 -1.6840 -1.6840 -1.6840 -1.2734 -1.2734 -1.2734 -1.2734 3.8662 3.8662 3.8662 3.8662 5.2236 5.2236 5.2236 5.2236 5.5400 5.5400 5.5400 5.5400 6.6234 6.6234 6.6234 6.6234 6.6618 6.6618 6.6618 6.6618 7.1220 7.1220 7.1220 7.1220 7.2211 7.2211 7.2211 7.2211 7.8435 7.8435 7.8435 7.8435 9.7254 9.7254 k = 0.5000 0.5000 0.2088 ( 16596 PWs) bands (ev): -71.1001 -71.1001 -71.1001 -71.1001 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2247 -3.2247 -3.2247 -3.2247 -1.9738 -1.9738 -1.9738 -1.9738 -1.6869 -1.6869 -1.6869 -1.6869 -1.2688 -1.2688 -1.2688 -1.2688 3.8673 3.8673 3.8673 3.8673 5.2159 5.2159 5.2159 5.2159 5.5362 5.5362 5.5362 5.5362 6.6204 6.6204 6.6204 6.6204 6.6607 6.6607 6.6607 6.6607 7.1192 7.1192 7.1192 7.1192 7.2175 7.2175 7.2175 7.2175 7.8418 7.8418 7.8418 7.8418 9.7266 9.7266 k = 0.5000 0.5000 0.2237 ( 16624 PWs) bands (ev): -71.1010 -71.1010 -71.1010 -71.1010 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2247 -3.2247 -3.2247 -3.2247 -1.9743 -1.9743 -1.9743 -1.9743 -1.6892 -1.6892 -1.6892 -1.6892 -1.2651 -1.2651 -1.2651 -1.2651 3.8680 3.8680 3.8680 3.8680 5.2096 5.2096 5.2096 5.2096 5.5331 5.5331 5.5331 5.5331 6.6183 6.6183 6.6183 6.6183 6.6618 6.6618 6.6618 6.6618 7.1157 7.1157 7.1157 7.1157 7.2143 7.2143 7.2143 7.2143 7.8376 7.8376 7.8376 7.8376 9.7276 9.7276 k = 0.5000 0.5000 0.2386 ( 16608 PWs) bands (ev): -71.1005 -71.1005 -71.1005 -71.1005 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2247 -3.2247 -3.2247 -3.2247 -1.9747 -1.9747 -1.9747 -1.9747 -1.6909 -1.6909 -1.6909 -1.6909 -1.2624 -1.2624 -1.2624 -1.2624 3.8688 3.8688 3.8688 3.8688 5.2050 5.2050 5.2050 5.2050 5.5314 5.5314 5.5314 5.5314 6.6185 6.6185 6.6185 6.6185 6.6650 6.6650 6.6650 6.6650 7.1161 7.1161 7.1161 7.1161 7.2166 7.2166 7.2166 7.2166 7.8387 7.8387 7.8387 7.8387 9.7283 9.7283 k = 0.5000 0.5000 0.2535 ( 16572 PWs) bands (ev): -71.0994 -71.0994 -71.0994 -71.0994 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2247 -3.2247 -3.2247 -3.2247 -1.9749 -1.9749 -1.9749 -1.9749 -1.6919 -1.6919 -1.6919 -1.6919 -1.2607 -1.2607 -1.2607 -1.2607 3.8696 3.8696 3.8696 3.8696 5.2023 5.2023 5.2023 5.2023 5.5307 5.5307 5.5307 5.5307 6.6220 6.6220 6.6220 6.6220 6.6687 6.6687 6.6687 6.6687 7.1192 7.1192 7.1192 7.1192 7.2174 7.2174 7.2174 7.2174 7.8430 7.8430 7.8430 7.8430 9.7289 9.7289 k = 0.5000 0.5000 0.2684 ( 16592 PWs) bands (ev): -71.1000 -71.1000 -71.1000 -71.1000 -40.8772 -40.8772 -40.8772 -40.8772 -39.7274 -39.7274 -39.7274 -39.7274 -39.6043 -39.6043 -39.6043 -39.6043 -14.2171 -14.2171 -14.2171 -14.2171 -3.2247 -3.2247 -3.2247 -3.2247 -1.9750 -1.9750 -1.9750 -1.9750 -1.6923 -1.6923 -1.6923 -1.6923 -1.2602 -1.2602 -1.2602 -1.2602 3.8695 3.8695 3.8695 3.8695 5.2012 5.2012 5.2012 5.2012 5.5302 5.5302 5.5302 5.5302 6.6212 6.6212 6.6212 6.6212 6.6652 6.6652 6.6652 6.6652 7.1180 7.1180 7.1180 7.1180 7.2158 7.2158 7.2158 7.2158 7.8423 7.8423 7.8423 7.8423 9.7290 9.7290 Writing output data file CsMnSb.save init_run : 0.80s CPU 0.96s WALL ( 1 calls) electrons : 570.45s CPU 575.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 570.44s CPU 575.47s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.22s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.20s WALL ( 289 calls) cegterg : 526.19s CPU 530.36s WALL ( 548 calls) Called by sum_band: Called by *egterg: h_psi : 337.75s CPU 341.89s WALL ( 8940 calls) s_psi : 11.37s CPU 11.48s WALL ( 8940 calls) g_psi : 0.70s CPU 0.63s WALL ( 8103 calls) cdiaghg : 144.50s CPU 144.90s WALL ( 8392 calls) cegterg:over : 25.37s CPU 25.44s WALL ( 8103 calls) cegterg:upda : 19.12s CPU 19.15s WALL ( 8103 calls) cegterg:last : 11.86s CPU 11.83s WALL ( 1367 calls) cdiaghg:chol : 5.87s CPU 5.94s WALL ( 8392 calls) cdiaghg:inve : 3.88s CPU 3.90s WALL ( 8392 calls) cdiaghg:para : 8.66s CPU 8.81s WALL ( 16784 calls) Called by h_psi: h_psi:vloc : 291.48s CPU 295.65s WALL ( 8940 calls) h_psi:vnl : 45.59s CPU 45.56s WALL ( 8940 calls) add_vuspsi : 25.78s CPU 25.85s WALL ( 8940 calls) General routines calbec : 19.76s CPU 19.68s WALL ( 8940 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 282.94s CPU 287.05s WALL ( 1078032 calls) davcio : 0.24s CPU 0.40s WALL ( 578 calls) Parallel routines fft_scatter : 173.60s CPU 176.76s WALL ( 1078047 calls) PWSCF : 10m39.39s CPU 11m 4.66s WALL This run was terminated on: 15:18: 3 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=