Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 9:29:43 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: ./PdxNCl2x2.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 111 48 13 4457 1262 191 Max 112 49 14 4460 1279 194 Sum 8061 3505 989 321031 91607 13857 bravais-lattice index = 14 lattice parameter (alat) = 13.6249 a.u. unit-cell volume = 1494.4336 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.624924 celldm(2)= 1.000000 celldm(3)= 0.590846 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 0.590846 ) 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 1.692488 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Pd 18.00 106.42000 Pd( 1.00) N 5.00 14.00670 N( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 270 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0037037 k( 3) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0037037 k( 4) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0037037 k( 5) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0037037 k( 6) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0037037 k( 7) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0037037 k( 8) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0037037 k( 9) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0037037 k( 10) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0037037 k( 11) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0037037 k( 12) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0037037 k( 13) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0037037 k( 14) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0037037 k( 15) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0037037 k( 16) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0037037 k( 17) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0037037 k( 18) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0037037 k( 19) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0037037 k( 20) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0037037 k( 21) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0037037 k( 22) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0037037 k( 23) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037037 k( 24) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037037 k( 25) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0037037 k( 26) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0037037 k( 27) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0037037 k( 28) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0037037 k( 29) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0037037 k( 30) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0037037 k( 31) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0037037 k( 32) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0037037 k( 33) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0037037 k( 34) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0037037 k( 35) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0037037 k( 36) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0037037 k( 37) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0037037 k( 38) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0037037 k( 39) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0037037 k( 40) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0037037 k( 41) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0037037 k( 42) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0037037 k( 43) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0037037 k( 44) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0037037 k( 45) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0037037 k( 46) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 47) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 48) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0037037 k( 49) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0037037 k( 50) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0037037 k( 51) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0037037 k( 52) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0037037 k( 53) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0037037 k( 54) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0037037 k( 55) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0037037 k( 56) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0037037 k( 57) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0037037 k( 58) = ( 0.3225807 0.3225806 -0.0000000), wk = 0.0037037 k( 59) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0037037 k( 60) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0037037 k( 61) = ( 0.2741936 0.2741936 -0.0000000), wk = 0.0037037 k( 62) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0037037 k( 63) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0037037 k( 64) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0037037 k( 65) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0037037 k( 66) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0037037 k( 67) = ( 0.1774194 0.1774193 -0.0000000), wk = 0.0037037 k( 68) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0037037 k( 69) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0037037 k( 70) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0037037 k( 71) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0037037 k( 72) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0037037 k( 73) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0037037 k( 74) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0037037 k( 75) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0037037 k( 76) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0037037 k( 77) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0037037 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 79) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 80) = ( 0.0000000 0.0000000 0.0228715), wk = 0.0037037 k( 81) = ( 0.0000000 0.0000000 0.0457429), wk = 0.0037037 k( 82) = ( 0.0000000 0.0000000 0.0686144), wk = 0.0037037 k( 83) = ( 0.0000000 0.0000000 0.0914858), wk = 0.0037037 k( 84) = ( 0.0000000 0.0000000 0.1143573), wk = 0.0037037 k( 85) = ( 0.0000000 0.0000000 0.1372288), wk = 0.0037037 k( 86) = ( 0.0000000 0.0000000 0.1601002), wk = 0.0037037 k( 87) = ( 0.0000000 0.0000000 0.1829717), wk = 0.0037037 k( 88) = ( 0.0000000 0.0000000 0.2058432), wk = 0.0037037 k( 89) = ( 0.0000000 0.0000000 0.2287146), wk = 0.0037037 k( 90) = ( 0.0000000 0.0000000 0.2515861), wk = 0.0037037 k( 91) = ( 0.0000000 0.0000000 0.2744576), wk = 0.0037037 k( 92) = ( 0.0000000 0.0000000 0.2973290), wk = 0.0037037 k( 93) = ( 0.0000000 0.0000000 0.3202005), wk = 0.0037037 k( 94) = ( 0.0000000 0.0000000 0.3430719), wk = 0.0037037 k( 95) = ( 0.0000000 0.0000000 0.3659434), wk = 0.0037037 k( 96) = ( 0.0000000 0.0000000 0.3888149), wk = 0.0037037 k( 97) = ( 0.0000000 0.0000000 0.4116863), wk = 0.0037037 k( 98) = ( 0.0000000 0.0000000 0.4345578), wk = 0.0037037 k( 99) = ( 0.0000000 0.0000000 0.4574293), wk = 0.0037037 k( 100) = ( 0.0000000 0.0000000 0.4803007), wk = 0.0037037 k( 101) = ( 0.0000000 0.0000000 0.5031722), wk = 0.0037037 k( 102) = ( 0.0000000 0.0000000 0.5260436), wk = 0.0037037 k( 103) = ( 0.0000000 0.0000000 0.5489151), wk = 0.0037037 k( 104) = ( 0.0000000 0.0000000 0.5717866), wk = 0.0037037 k( 105) = ( 0.0000000 0.0000000 0.5946580), wk = 0.0037037 k( 106) = ( 0.0000000 0.0000000 0.6175295), wk = 0.0037037 k( 107) = ( 0.0000000 0.0000000 0.6404010), wk = 0.0037037 k( 108) = ( 0.0000000 0.0000000 0.6632724), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.6861439), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.7090154), wk = 0.0037037 k( 111) = ( 0.0000000 0.0000000 0.7318868), wk = 0.0037037 k( 112) = ( 0.0000000 0.0000000 0.7547583), wk = 0.0037037 k( 113) = ( 0.0000000 0.0000000 0.7776297), wk = 0.0037037 k( 114) = ( 0.0000000 0.0000000 0.8005012), wk = 0.0037037 k( 115) = ( 0.0000000 0.0000000 0.8233727), wk = 0.0037037 k( 116) = ( 0.0000000 0.0000000 0.8462441), wk = 0.0037037 k( 117) = ( 0.0000000 0.0000000 0.8462441), wk = 0.0037037 k( 118) = ( 0.0000000 0.0227273 0.8462441), wk = 0.0037037 k( 119) = ( 0.0000000 0.0454546 0.8462441), wk = 0.0037037 k( 120) = ( 0.0000000 0.0681818 0.8462441), wk = 0.0037037 k( 121) = ( 0.0000000 0.0909091 0.8462441), wk = 0.0037037 k( 122) = ( 0.0000000 0.1136364 0.8462441), wk = 0.0037037 k( 123) = ( 0.0000000 0.1363636 0.8462441), wk = 0.0037037 k( 124) = ( 0.0000000 0.1590909 0.8462441), wk = 0.0037037 k( 125) = ( 0.0000000 0.1818182 0.8462441), wk = 0.0037037 k( 126) = ( 0.0000000 0.2045454 0.8462441), wk = 0.0037037 k( 127) = ( 0.0000000 0.2272727 0.8462441), wk = 0.0037037 k( 128) = ( 0.0000000 0.2500000 0.8462441), wk = 0.0037037 k( 129) = ( 0.0000000 0.2727273 0.8462441), wk = 0.0037037 k( 130) = ( 0.0000000 0.2954545 0.8462441), wk = 0.0037037 k( 131) = ( 0.0000000 0.3181818 0.8462441), wk = 0.0037037 k( 132) = ( 0.0000000 0.3409091 0.8462441), wk = 0.0037037 k( 133) = ( 0.0000000 0.3636364 0.8462441), wk = 0.0037037 k( 134) = ( 0.0000000 0.3863636 0.8462441), wk = 0.0037037 k( 135) = ( 0.0000000 0.4090909 0.8462441), wk = 0.0037037 k( 136) = ( 0.0000000 0.4318182 0.8462441), wk = 0.0037037 k( 137) = ( 0.0000000 0.4545455 0.8462441), wk = 0.0037037 k( 138) = ( 0.0000000 0.4772727 0.8462441), wk = 0.0037037 k( 139) = ( 0.0000000 0.5000000 0.8462441), wk = 0.0037037 k( 140) = ( 0.0000000 0.5000000 0.8462441), wk = 0.0037037 k( 141) = ( 0.0227273 0.5000000 0.8462441), wk = 0.0037037 k( 142) = ( 0.0454546 0.5000000 0.8462441), wk = 0.0037037 k( 143) = ( 0.0681818 0.5000000 0.8462441), wk = 0.0037037 k( 144) = ( 0.0909091 0.5000000 0.8462441), wk = 0.0037037 k( 145) = ( 0.1136364 0.5000000 0.8462441), wk = 0.0037037 k( 146) = ( 0.1363636 0.5000000 0.8462441), wk = 0.0037037 k( 147) = ( 0.1590909 0.5000000 0.8462441), wk = 0.0037037 k( 148) = ( 0.1818182 0.5000000 0.8462441), wk = 0.0037037 k( 149) = ( 0.2045454 0.5000000 0.8462441), wk = 0.0037037 k( 150) = ( 0.2272727 0.5000000 0.8462441), wk = 0.0037037 k( 151) = ( 0.2500000 0.5000000 0.8462441), wk = 0.0037037 k( 152) = ( 0.2727273 0.5000000 0.8462441), wk = 0.0037037 k( 153) = ( 0.2954545 0.5000000 0.8462441), wk = 0.0037037 k( 154) = ( 0.3181818 0.5000000 0.8462441), wk = 0.0037037 k( 155) = ( 0.3409091 0.5000000 0.8462441), wk = 0.0037037 k( 156) = ( 0.3636364 0.5000000 0.8462441), wk = 0.0037037 k( 157) = ( 0.3863636 0.5000000 0.8462441), wk = 0.0037037 k( 158) = ( 0.4090909 0.5000000 0.8462441), wk = 0.0037037 k( 159) = ( 0.4318182 0.5000000 0.8462441), wk = 0.0037037 k( 160) = ( 0.4545455 0.5000000 0.8462441), wk = 0.0037037 k( 161) = ( 0.4772727 0.5000000 0.8462441), wk = 0.0037037 k( 162) = ( 0.5000000 0.5000000 0.8462441), wk = 0.0037037 k( 163) = ( 0.5000000 0.5000000 0.8462441), wk = 0.0037037 k( 164) = ( 0.4838710 0.4838710 0.8462441), wk = 0.0037037 k( 165) = ( 0.4677419 0.4677419 0.8462441), wk = 0.0037037 k( 166) = ( 0.4516129 0.4516129 0.8462441), wk = 0.0037037 k( 167) = ( 0.4354839 0.4354839 0.8462441), wk = 0.0037037 k( 168) = ( 0.4193548 0.4193548 0.8462441), wk = 0.0037037 k( 169) = ( 0.4032258 0.4032258 0.8462441), wk = 0.0037037 k( 170) = ( 0.3870968 0.3870968 0.8462441), wk = 0.0037037 k( 171) = ( 0.3709677 0.3709677 0.8462441), wk = 0.0037037 k( 172) = ( 0.3548387 0.3548387 0.8462441), wk = 0.0037037 k( 173) = ( 0.3387097 0.3387097 0.8462441), wk = 0.0037037 k( 174) = ( 0.3225807 0.3225806 0.8462441), wk = 0.0037037 k( 175) = ( 0.3064516 0.3064516 0.8462441), wk = 0.0037037 k( 176) = ( 0.2903226 0.2903226 0.8462441), wk = 0.0037037 k( 177) = ( 0.2741936 0.2741936 0.8462441), wk = 0.0037037 k( 178) = ( 0.2580645 0.2580645 0.8462441), wk = 0.0037037 k( 179) = ( 0.2419355 0.2419355 0.8462441), wk = 0.0037037 k( 180) = ( 0.2258064 0.2258064 0.8462441), wk = 0.0037037 k( 181) = ( 0.2096774 0.2096774 0.8462441), wk = 0.0037037 k( 182) = ( 0.1935484 0.1935484 0.8462441), wk = 0.0037037 k( 183) = ( 0.1774194 0.1774193 0.8462441), wk = 0.0037037 k( 184) = ( 0.1612903 0.1612903 0.8462441), wk = 0.0037037 k( 185) = ( 0.1451613 0.1451613 0.8462441), wk = 0.0037037 k( 186) = ( 0.1290323 0.1290323 0.8462441), wk = 0.0037037 k( 187) = ( 0.1129032 0.1129032 0.8462441), wk = 0.0037037 k( 188) = ( 0.0967742 0.0967742 0.8462441), wk = 0.0037037 k( 189) = ( 0.0806452 0.0806452 0.8462441), wk = 0.0037037 k( 190) = ( 0.0645161 0.0645161 0.8462441), wk = 0.0037037 k( 191) = ( 0.0483871 0.0483871 0.8462441), wk = 0.0037037 k( 192) = ( 0.0322581 0.0322581 0.8462441), wk = 0.0037037 k( 193) = ( 0.0161290 0.0161290 0.8462441), wk = 0.0037037 k( 194) = ( 0.0000000 0.0000000 0.8462441), wk = 0.0037037 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037037 k( 196) = ( 0.0000000 0.5000000 0.0228715), wk = 0.0037037 k( 197) = ( 0.0000000 0.5000000 0.0457429), wk = 0.0037037 k( 198) = ( 0.0000000 0.5000000 0.0686144), wk = 0.0037037 k( 199) = ( 0.0000000 0.5000000 0.0914858), wk = 0.0037037 k( 200) = ( 0.0000000 0.5000000 0.1143573), wk = 0.0037037 k( 201) = ( 0.0000000 0.5000000 0.1372288), wk = 0.0037037 k( 202) = ( 0.0000000 0.5000000 0.1601002), wk = 0.0037037 k( 203) = ( 0.0000000 0.5000000 0.1829717), wk = 0.0037037 k( 204) = ( 0.0000000 0.5000000 0.2058432), wk = 0.0037037 k( 205) = ( 0.0000000 0.5000000 0.2287146), wk = 0.0037037 k( 206) = ( 0.0000000 0.5000000 0.2515861), wk = 0.0037037 k( 207) = ( 0.0000000 0.5000000 0.2744576), wk = 0.0037037 k( 208) = ( 0.0000000 0.5000000 0.2973290), wk = 0.0037037 k( 209) = ( 0.0000000 0.5000000 0.3202005), wk = 0.0037037 k( 210) = ( 0.0000000 0.5000000 0.3430719), wk = 0.0037037 k( 211) = ( 0.0000000 0.5000000 0.3659434), wk = 0.0037037 k( 212) = ( 0.0000000 0.5000000 0.3888149), wk = 0.0037037 k( 213) = ( 0.0000000 0.5000000 0.4116863), wk = 0.0037037 k( 214) = ( 0.0000000 0.5000000 0.4345578), wk = 0.0037037 k( 215) = ( 0.0000000 0.5000000 0.4574293), wk = 0.0037037 k( 216) = ( 0.0000000 0.5000000 0.4803007), wk = 0.0037037 k( 217) = ( 0.0000000 0.5000000 0.5031722), wk = 0.0037037 k( 218) = ( 0.0000000 0.5000000 0.5260436), wk = 0.0037037 k( 219) = ( 0.0000000 0.5000000 0.5489151), wk = 0.0037037 k( 220) = ( 0.0000000 0.5000000 0.5717866), wk = 0.0037037 k( 221) = ( 0.0000000 0.5000000 0.5946580), wk = 0.0037037 k( 222) = ( 0.0000000 0.5000000 0.6175295), wk = 0.0037037 k( 223) = ( 0.0000000 0.5000000 0.6404010), wk = 0.0037037 k( 224) = ( 0.0000000 0.5000000 0.6632724), wk = 0.0037037 k( 225) = ( 0.0000000 0.5000000 0.6861439), wk = 0.0037037 k( 226) = ( 0.0000000 0.5000000 0.7090154), wk = 0.0037037 k( 227) = ( 0.0000000 0.5000000 0.7318868), wk = 0.0037037 k( 228) = ( 0.0000000 0.5000000 0.7547583), wk = 0.0037037 k( 229) = ( 0.0000000 0.5000000 0.7776297), wk = 0.0037037 k( 230) = ( 0.0000000 0.5000000 0.8005012), wk = 0.0037037 k( 231) = ( 0.0000000 0.5000000 0.8233727), wk = 0.0037037 k( 232) = ( 0.0000000 0.5000000 0.8462441), wk = 0.0037037 k( 233) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 234) = ( 0.5000000 0.5000000 0.0228715), wk = 0.0037037 k( 235) = ( 0.5000000 0.5000000 0.0457429), wk = 0.0037037 k( 236) = ( 0.5000000 0.5000000 0.0686144), wk = 0.0037037 k( 237) = ( 0.5000000 0.5000000 0.0914858), wk = 0.0037037 k( 238) = ( 0.5000000 0.5000000 0.1143573), wk = 0.0037037 k( 239) = ( 0.5000000 0.5000000 0.1372288), wk = 0.0037037 k( 240) = ( 0.5000000 0.5000000 0.1601002), wk = 0.0037037 k( 241) = ( 0.5000000 0.5000000 0.1829717), wk = 0.0037037 k( 242) = ( 0.5000000 0.5000000 0.2058432), wk = 0.0037037 k( 243) = ( 0.5000000 0.5000000 0.2287146), wk = 0.0037037 k( 244) = ( 0.5000000 0.5000000 0.2515861), wk = 0.0037037 k( 245) = ( 0.5000000 0.5000000 0.2744576), wk = 0.0037037 k( 246) = ( 0.5000000 0.5000000 0.2973290), wk = 0.0037037 k( 247) = ( 0.5000000 0.5000000 0.3202005), wk = 0.0037037 k( 248) = ( 0.5000000 0.5000000 0.3430719), wk = 0.0037037 k( 249) = ( 0.5000000 0.5000000 0.3659434), wk = 0.0037037 k( 250) = ( 0.5000000 0.5000000 0.3888149), wk = 0.0037037 k( 251) = ( 0.5000000 0.5000000 0.4116863), wk = 0.0037037 k( 252) = ( 0.5000000 0.5000000 0.4345578), wk = 0.0037037 k( 253) = ( 0.5000000 0.5000000 0.4574293), wk = 0.0037037 k( 254) = ( 0.5000000 0.5000000 0.4803007), wk = 0.0037037 k( 255) = ( 0.5000000 0.5000000 0.5031722), wk = 0.0037037 k( 256) = ( 0.5000000 0.5000000 0.5260436), wk = 0.0037037 k( 257) = ( 0.5000000 0.5000000 0.5489151), wk = 0.0037037 k( 258) = ( 0.5000000 0.5000000 0.5717866), wk = 0.0037037 k( 259) = ( 0.5000000 0.5000000 0.5946580), wk = 0.0037037 k( 260) = ( 0.5000000 0.5000000 0.6175295), wk = 0.0037037 k( 261) = ( 0.5000000 0.5000000 0.6404010), wk = 0.0037037 k( 262) = ( 0.5000000 0.5000000 0.6632724), wk = 0.0037037 k( 263) = ( 0.5000000 0.5000000 0.6861439), wk = 0.0037037 k( 264) = ( 0.5000000 0.5000000 0.7090154), wk = 0.0037037 k( 265) = ( 0.5000000 0.5000000 0.7318868), wk = 0.0037037 k( 266) = ( 0.5000000 0.5000000 0.7547583), wk = 0.0037037 k( 267) = ( 0.5000000 0.5000000 0.7776297), wk = 0.0037037 k( 268) = ( 0.5000000 0.5000000 0.8005012), wk = 0.0037037 k( 269) = ( 0.5000000 0.5000000 0.8233727), wk = 0.0037037 k( 270) = ( 0.5000000 0.5000000 0.8462441), wk = 0.0037037 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0037037 k( 3) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0037037 k( 4) = ( 0.0000000 0.0681818 0.0000000), wk = 0.0037037 k( 5) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0037037 k( 6) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0037037 k( 7) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0037037 k( 8) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0037037 k( 9) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0037037 k( 10) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0037037 k( 11) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0037037 k( 12) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0037037 k( 13) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0037037 k( 14) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0037037 k( 15) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0037037 k( 16) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0037037 k( 17) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0037037 k( 18) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0037037 k( 19) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0037037 k( 20) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0037037 k( 21) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0037037 k( 22) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0037037 k( 23) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037037 k( 24) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037037 k( 25) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0037037 k( 26) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0037037 k( 27) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0037037 k( 28) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0037037 k( 29) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0037037 k( 30) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0037037 k( 31) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0037037 k( 32) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0037037 k( 33) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0037037 k( 34) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0037037 k( 35) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0037037 k( 36) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0037037 k( 37) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0037037 k( 38) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0037037 k( 39) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0037037 k( 40) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0037037 k( 41) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0037037 k( 42) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0037037 k( 43) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0037037 k( 44) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0037037 k( 45) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0037037 k( 46) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 47) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 48) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0037037 k( 49) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0037037 k( 50) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0037037 k( 51) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0037037 k( 52) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0037037 k( 53) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0037037 k( 54) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0037037 k( 55) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0037037 k( 56) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0037037 k( 57) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0037037 k( 58) = ( 0.3225807 0.3225807 -0.0000000), wk = 0.0037037 k( 59) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0037037 k( 60) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0037037 k( 61) = ( 0.2741936 0.2741936 -0.0000000), wk = 0.0037037 k( 62) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0037037 k( 63) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0037037 k( 64) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0037037 k( 65) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0037037 k( 66) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0037037 k( 67) = ( 0.1774194 0.1774194 -0.0000000), wk = 0.0037037 k( 68) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0037037 k( 69) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0037037 k( 70) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0037037 k( 71) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0037037 k( 72) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0037037 k( 73) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0037037 k( 74) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0037037 k( 75) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0037037 k( 76) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0037037 k( 77) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0037037 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 79) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 80) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0037037 k( 81) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0037037 k( 82) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0037037 k( 83) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0037037 k( 84) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0037037 k( 85) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0037037 k( 86) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0037037 k( 87) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0037037 k( 88) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0037037 k( 89) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0037037 k( 90) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0037037 k( 91) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0037037 k( 92) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0037037 k( 93) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0037037 k( 94) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0037037 k( 95) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0037037 k( 96) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0037037 k( 97) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0037037 k( 98) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0037037 k( 99) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0037037 k( 100) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0037037 k( 101) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0037037 k( 102) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0037037 k( 103) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0037037 k( 104) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0037037 k( 105) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0037037 k( 106) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0037037 k( 107) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0037037 k( 108) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0037037 k( 111) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0037037 k( 112) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0037037 k( 113) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0037037 k( 114) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0037037 k( 115) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0037037 k( 116) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 117) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 118) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0037037 k( 119) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0037037 k( 120) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0037037 k( 121) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0037037 k( 122) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0037037 k( 123) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0037037 k( 124) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0037037 k( 125) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0037037 k( 126) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0037037 k( 127) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0037037 k( 128) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0037037 k( 129) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0037037 k( 130) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0037037 k( 131) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0037037 k( 132) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0037037 k( 133) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0037037 k( 134) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0037037 k( 135) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0037037 k( 136) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0037037 k( 137) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0037037 k( 138) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0037037 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037037 k( 140) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037037 k( 141) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0037037 k( 142) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0037037 k( 143) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0037037 k( 144) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0037037 k( 145) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0037037 k( 146) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0037037 k( 147) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0037037 k( 148) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0037037 k( 149) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0037037 k( 150) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0037037 k( 151) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0037037 k( 152) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0037037 k( 153) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0037037 k( 154) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0037037 k( 155) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0037037 k( 156) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0037037 k( 157) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0037037 k( 158) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0037037 k( 159) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0037037 k( 160) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0037037 k( 161) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0037037 k( 162) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037037 k( 163) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037037 k( 164) = ( 0.4838710 0.4838710 0.5000000), wk = 0.0037037 k( 165) = ( 0.4677419 0.4677419 0.5000000), wk = 0.0037037 k( 166) = ( 0.4516129 0.4516129 0.5000000), wk = 0.0037037 k( 167) = ( 0.4354839 0.4354839 0.5000000), wk = 0.0037037 k( 168) = ( 0.4193548 0.4193548 0.5000000), wk = 0.0037037 k( 169) = ( 0.4032258 0.4032258 0.5000000), wk = 0.0037037 k( 170) = ( 0.3870968 0.3870968 0.5000000), wk = 0.0037037 k( 171) = ( 0.3709677 0.3709677 0.5000000), wk = 0.0037037 k( 172) = ( 0.3548387 0.3548387 0.5000000), wk = 0.0037037 k( 173) = ( 0.3387097 0.3387097 0.5000000), wk = 0.0037037 k( 174) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0037037 k( 175) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0037037 k( 176) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0037037 k( 177) = ( 0.2741936 0.2741936 0.5000000), wk = 0.0037037 k( 178) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0037037 k( 179) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0037037 k( 180) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0037037 k( 181) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0037037 k( 182) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0037037 k( 183) = ( 0.1774194 0.1774194 0.5000000), wk = 0.0037037 k( 184) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0037037 k( 185) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0037037 k( 186) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0037037 k( 187) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0037037 k( 188) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0037037 k( 189) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0037037 k( 190) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0037037 k( 191) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0037037 k( 192) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0037037 k( 193) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0037037 k( 194) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037037 k( 196) = ( 0.0000000 0.5000000 0.0135135), wk = 0.0037037 k( 197) = ( 0.0000000 0.5000000 0.0270270), wk = 0.0037037 k( 198) = ( 0.0000000 0.5000000 0.0405405), wk = 0.0037037 k( 199) = ( 0.0000000 0.5000000 0.0540540), wk = 0.0037037 k( 200) = ( 0.0000000 0.5000000 0.0675676), wk = 0.0037037 k( 201) = ( 0.0000000 0.5000000 0.0810811), wk = 0.0037037 k( 202) = ( 0.0000000 0.5000000 0.0945946), wk = 0.0037037 k( 203) = ( 0.0000000 0.5000000 0.1081081), wk = 0.0037037 k( 204) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0037037 k( 205) = ( 0.0000000 0.5000000 0.1351351), wk = 0.0037037 k( 206) = ( 0.0000000 0.5000000 0.1486486), wk = 0.0037037 k( 207) = ( 0.0000000 0.5000000 0.1621622), wk = 0.0037037 k( 208) = ( 0.0000000 0.5000000 0.1756757), wk = 0.0037037 k( 209) = ( 0.0000000 0.5000000 0.1891892), wk = 0.0037037 k( 210) = ( 0.0000000 0.5000000 0.2027027), wk = 0.0037037 k( 211) = ( 0.0000000 0.5000000 0.2162162), wk = 0.0037037 k( 212) = ( 0.0000000 0.5000000 0.2297297), wk = 0.0037037 k( 213) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0037037 k( 214) = ( 0.0000000 0.5000000 0.2567568), wk = 0.0037037 k( 215) = ( 0.0000000 0.5000000 0.2702703), wk = 0.0037037 k( 216) = ( 0.0000000 0.5000000 0.2837838), wk = 0.0037037 k( 217) = ( 0.0000000 0.5000000 0.2972973), wk = 0.0037037 k( 218) = ( 0.0000000 0.5000000 0.3108108), wk = 0.0037037 k( 219) = ( 0.0000000 0.5000000 0.3243243), wk = 0.0037037 k( 220) = ( 0.0000000 0.5000000 0.3378378), wk = 0.0037037 k( 221) = ( 0.0000000 0.5000000 0.3513514), wk = 0.0037037 k( 222) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0037037 k( 223) = ( 0.0000000 0.5000000 0.3783784), wk = 0.0037037 k( 224) = ( 0.0000000 0.5000000 0.3918919), wk = 0.0037037 k( 225) = ( 0.0000000 0.5000000 0.4054054), wk = 0.0037037 k( 226) = ( 0.0000000 0.5000000 0.4189189), wk = 0.0037037 k( 227) = ( 0.0000000 0.5000000 0.4324324), wk = 0.0037037 k( 228) = ( 0.0000000 0.5000000 0.4459459), wk = 0.0037037 k( 229) = ( 0.0000000 0.5000000 0.4594595), wk = 0.0037037 k( 230) = ( 0.0000000 0.5000000 0.4729730), wk = 0.0037037 k( 231) = ( 0.0000000 0.5000000 0.4864865), wk = 0.0037037 k( 232) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037037 k( 233) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 234) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0037037 k( 235) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0037037 k( 236) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0037037 k( 237) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0037037 k( 238) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0037037 k( 239) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0037037 k( 240) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0037037 k( 241) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0037037 k( 242) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0037037 k( 243) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0037037 k( 244) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0037037 k( 245) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0037037 k( 246) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0037037 k( 247) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0037037 k( 248) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0037037 k( 249) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0037037 k( 250) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0037037 k( 251) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0037037 k( 252) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0037037 k( 253) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0037037 k( 254) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0037037 k( 255) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0037037 k( 256) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0037037 k( 257) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0037037 k( 258) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0037037 k( 259) = ( 0.5000000 0.5000000 0.3513514), wk = 0.0037037 k( 260) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0037037 k( 261) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0037037 k( 262) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0037037 k( 263) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0037037 k( 264) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0037037 k( 265) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0037037 k( 266) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0037037 k( 267) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0037037 k( 268) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0037037 k( 269) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0037037 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037037 Dense grid: 321031 G-vectors FFT dimensions: ( 108, 108, 60) Smooth grid: 91607 G-vectors FFT dimensions: ( 72, 72, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 338, 68) NL pseudopotentials 0.51 Mb ( 169, 198) Each V/rho on FFT grid 0.18 Mb ( 11664) Each G-vector array 0.03 Mb ( 4458) G-vector shells 0.02 Mb ( 2172) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.40 Mb ( 338, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.41 Mb ( 198, 2, 68) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./PdxNCl2x2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 8.2 secs Computing kpt #: 7 total cpu time spent up to now is 9.1 secs Computing kpt #: 8 total cpu time spent up to now is 10.0 secs Computing kpt #: 9 total cpu time spent up to now is 10.9 secs Computing kpt #: 10 total cpu time spent up to now is 11.8 secs Computing kpt #: 11 total cpu time spent up to now is 12.8 secs Computing kpt #: 12 total cpu time spent up to now is 13.7 secs Computing kpt #: 13 total cpu time spent up to now is 14.7 secs Computing kpt #: 14 total cpu time spent up to now is 15.6 secs Computing kpt #: 15 total cpu time spent up to now is 16.5 secs Computing kpt #: 16 total cpu time spent up to now is 17.5 secs Computing kpt #: 17 total cpu time spent up to now is 18.4 secs Computing kpt #: 18 total cpu time spent up to now is 19.4 secs Computing kpt #: 19 total cpu time spent up to now is 20.3 secs Computing kpt #: 20 total cpu time spent up to now is 21.2 secs Computing kpt #: 21 total cpu time spent up to now is 22.2 secs Computing kpt #: 22 total cpu time spent up to now is 23.1 secs Computing kpt #: 23 total cpu time spent up to now is 24.0 secs Computing kpt #: 24 total cpu time spent up to now is 25.0 secs Computing kpt #: 25 total cpu time spent up to now is 26.0 secs Computing kpt #: 26 total cpu time spent up to now is 26.9 secs Computing kpt #: 27 total cpu time spent up to now is 27.8 secs Computing kpt #: 28 total cpu time spent up to now is 28.8 secs Computing kpt #: 29 total cpu time spent up to now is 29.7 secs Computing kpt #: 30 total cpu time spent up to now is 30.6 secs Computing kpt #: 31 total cpu time spent up to now is 31.5 secs Computing kpt #: 32 total cpu time spent up to now is 32.5 secs Computing kpt #: 33 total cpu time spent up to now is 33.4 secs Computing kpt #: 34 total cpu time spent up to now is 34.3 secs Computing kpt #: 35 total cpu time spent up to now is 35.3 secs Computing kpt #: 36 total cpu time spent up to now is 36.2 secs Computing kpt #: 37 total cpu time spent up to now is 37.1 secs Computing kpt #: 38 total cpu time spent up to now is 38.0 secs Computing kpt #: 39 total cpu time spent up to now is 38.9 secs Computing kpt #: 40 total cpu time spent up to now is 39.8 secs Computing kpt #: 41 total cpu time spent up to now is 40.7 secs Computing kpt #: 42 total cpu time spent up to now is 41.6 secs Computing kpt #: 43 total cpu time spent up to now is 42.5 secs Computing kpt #: 44 total cpu time spent up to now is 43.4 secs Computing kpt #: 45 total cpu time spent up to now is 44.2 secs Computing kpt #: 46 total cpu time spent up to now is 45.1 secs Computing kpt #: 47 total cpu time spent up to now is 46.0 secs Computing kpt #: 48 total cpu time spent up to now is 46.9 secs Computing kpt #: 49 total cpu time spent up to now is 47.8 secs Computing kpt #: 50 total cpu time spent up to now is 48.7 secs Computing kpt #: 51 total cpu time spent up to now is 49.6 secs Computing kpt #: 52 total cpu time spent up to now is 50.5 secs Computing kpt #: 53 total cpu time spent up to now is 51.4 secs Computing kpt #: 54 total cpu time spent up to now is 52.3 secs Computing kpt #: 55 total cpu time spent up to now is 53.2 secs Computing kpt #: 56 total cpu time spent up to now is 54.1 secs Computing kpt #: 57 total cpu time spent up to now is 55.1 secs Computing kpt #: 58 total cpu time spent up to now is 56.0 secs Computing kpt #: 59 total cpu time spent up to now is 56.9 secs Computing kpt #: 60 total cpu time spent up to now is 57.8 secs Computing kpt #: 61 total cpu time spent up to now is 58.8 secs Computing kpt #: 62 total cpu time spent up to now is 59.7 secs Computing kpt #: 63 total cpu time spent up to now is 60.6 secs Computing kpt #: 64 total cpu time spent up to now is 61.6 secs Computing kpt #: 65 total cpu time spent up to now is 62.5 secs Computing kpt #: 66 total cpu time spent up to now is 63.4 secs Computing kpt #: 67 total cpu time spent up to now is 64.3 secs Computing kpt #: 68 total cpu time spent up to now is 65.2 secs Computing kpt #: 69 total cpu time spent up to now is 66.8 secs Computing kpt #: 70 total cpu time spent up to now is 67.7 secs Computing kpt #: 71 total cpu time spent up to now is 68.6 secs Computing kpt #: 72 total cpu time spent up to now is 69.5 secs Computing kpt #: 73 total cpu time spent up to now is 70.4 secs Computing kpt #: 74 total cpu time spent up to now is 71.3 secs Computing kpt #: 75 total cpu time spent up to now is 72.2 secs Computing kpt #: 76 total cpu time spent up to now is 73.1 secs Computing kpt #: 77 total cpu time spent up to now is 73.9 secs Computing kpt #: 78 total cpu time spent up to now is 74.8 secs Computing kpt #: 79 total cpu time spent up to now is 75.7 secs Computing kpt #: 80 total cpu time spent up to now is 76.6 secs Computing kpt #: 81 total cpu time spent up to now is 77.7 secs Computing kpt #: 82 total cpu time spent up to now is 78.8 secs Computing kpt #: 83 total cpu time spent up to now is 79.8 secs Computing kpt #: 84 total cpu time spent up to now is 80.8 secs Computing kpt #: 85 total cpu time spent up to now is 81.7 secs Computing kpt #: 86 total cpu time spent up to now is 82.6 secs Computing kpt #: 87 total cpu time spent up to now is 83.5 secs Computing kpt #: 88 total cpu time spent up to now is 84.4 secs Computing kpt #: 89 total cpu time spent up to now is 85.3 secs Computing kpt #: 90 total cpu time spent up to now is 86.2 secs Computing kpt #: 91 total cpu time spent up to now is 87.1 secs Computing kpt #: 92 total cpu time spent up to now is 88.0 secs Computing kpt #: 93 total cpu time spent up to now is 88.9 secs Computing kpt #: 94 total cpu time spent up to now is 89.8 secs Computing kpt #: 95 total cpu time spent up to now is 90.7 secs Computing kpt #: 96 total cpu time spent up to now is 91.6 secs Computing kpt #: 97 total cpu time spent up to now is 92.6 secs Computing kpt #: 98 total cpu time spent up to now is 93.5 secs Computing kpt #: 99 total cpu time spent up to now is 94.4 secs Computing kpt #: 100 total cpu time spent up to now is 95.3 secs Computing kpt #: 101 total cpu time spent up to now is 96.2 secs Computing kpt #: 102 total cpu time spent up to now is 97.2 secs Computing kpt #: 103 total cpu time spent up to now is 98.1 secs Computing kpt #: 104 total cpu time spent up to now is 99.0 secs Computing kpt #: 105 total cpu time spent up to now is 100.0 secs Computing kpt #: 106 total cpu time spent up to now is 101.0 secs Computing kpt #: 107 total cpu time spent up to now is 102.0 secs Computing kpt #: 108 total cpu time spent up to now is 102.9 secs Computing kpt #: 109 total cpu time spent up to now is 103.8 secs Computing kpt #: 110 total cpu time spent up to now is 104.8 secs Computing kpt #: 111 total cpu time spent up to now is 105.7 secs Computing kpt #: 112 total cpu time spent up to now is 106.7 secs Computing kpt #: 113 total cpu time spent up to now is 107.6 secs Computing kpt #: 114 total cpu time spent up to now is 108.5 secs Computing kpt #: 115 total cpu time spent up to now is 109.4 secs Computing kpt #: 116 total cpu time spent up to now is 110.4 secs Computing kpt #: 117 total cpu time spent up to now is 111.3 secs Computing kpt #: 118 total cpu time spent up to now is 112.2 secs Computing kpt #: 119 total cpu time spent up to now is 113.1 secs Computing kpt #: 120 total cpu time spent up to now is 114.0 secs Computing kpt #: 121 total cpu time spent up to now is 114.9 secs Computing kpt #: 122 total cpu time spent up to now is 115.8 secs Computing kpt #: 123 total cpu time spent up to now is 116.7 secs Computing kpt #: 124 total cpu time spent up to now is 117.6 secs Computing kpt #: 125 total cpu time spent up to now is 118.6 secs Computing kpt #: 126 total cpu time spent up to now is 119.5 secs Computing kpt #: 127 total cpu time spent up to now is 120.4 secs Computing kpt #: 128 total cpu time spent up to now is 121.3 secs Computing kpt #: 129 total cpu time spent up to now is 122.2 secs Computing kpt #: 130 total cpu time spent up to now is 123.2 secs Computing kpt #: 131 total cpu time spent up to now is 124.1 secs Computing kpt #: 132 total cpu time spent up to now is 125.0 secs Computing kpt #: 133 total cpu time spent up to now is 125.9 secs Computing kpt #: 134 total cpu time spent up to now is 126.8 secs Computing kpt #: 135 total cpu time spent up to now is 127.8 secs Computing kpt #: 136 total cpu time spent up to now is 128.7 secs Computing kpt #: 137 total cpu time spent up to now is 129.6 secs Computing kpt #: 138 total cpu time spent up to now is 130.5 secs Computing kpt #: 139 total cpu time spent up to now is 131.4 secs Computing kpt #: 140 total cpu time spent up to now is 132.3 secs Computing kpt #: 141 total cpu time spent up to now is 133.2 secs Computing kpt #: 142 total cpu time spent up to now is 134.1 secs Computing kpt #: 143 total cpu time spent up to now is 135.0 secs Computing kpt #: 144 total cpu time spent up to now is 135.9 secs Computing kpt #: 145 total cpu time spent up to now is 136.8 secs Computing kpt #: 146 total cpu time spent up to now is 137.7 secs Computing kpt #: 147 total cpu time spent up to now is 138.6 secs Computing kpt #: 148 total cpu time spent up to now is 139.6 secs Computing kpt #: 149 total cpu time spent up to now is 140.5 secs Computing kpt #: 150 total cpu time spent up to now is 141.4 secs Computing kpt #: 151 total cpu time spent up to now is 142.3 secs Computing kpt #: 152 total cpu time spent up to now is 143.2 secs Computing kpt #: 153 total cpu time spent up to now is 144.1 secs Computing kpt #: 154 total cpu time spent up to now is 145.0 secs Computing kpt #: 155 total cpu time spent up to now is 145.9 secs Computing kpt #: 156 total cpu time spent up to now is 146.8 secs Computing kpt #: 157 total cpu time spent up to now is 147.7 secs Computing kpt #: 158 total cpu time spent up to now is 148.6 secs Computing kpt #: 159 total cpu time spent up to now is 149.5 secs Computing kpt #: 160 total cpu time spent up to now is 150.4 secs Computing kpt #: 161 total cpu time spent up to now is 151.2 secs Computing kpt #: 162 total cpu time spent up to now is 152.1 secs Computing kpt #: 163 total cpu time spent up to now is 153.0 secs Computing kpt #: 164 total cpu time spent up to now is 153.9 secs Computing kpt #: 165 total cpu time spent up to now is 154.8 secs Computing kpt #: 166 total cpu time spent up to now is 155.7 secs Computing kpt #: 167 total cpu time spent up to now is 156.6 secs Computing kpt #: 168 total cpu time spent up to now is 157.5 secs Computing kpt #: 169 total cpu time spent up to now is 158.4 secs Computing kpt #: 170 total cpu time spent up to now is 159.3 secs Computing kpt #: 171 total cpu time spent up to now is 160.2 secs Computing kpt #: 172 total cpu time spent up to now is 161.1 secs Computing kpt #: 173 total cpu time spent up to now is 162.0 secs Computing kpt #: 174 total cpu time spent up to now is 162.9 secs Computing kpt #: 175 total cpu time spent up to now is 163.8 secs Computing kpt #: 176 total cpu time spent up to now is 164.7 secs Computing kpt #: 177 total cpu time spent up to now is 165.6 secs Computing kpt #: 178 total cpu time spent up to now is 166.5 secs Computing kpt #: 179 total cpu time spent up to now is 167.4 secs Computing kpt #: 180 total cpu time spent up to now is 168.3 secs Computing kpt #: 181 total cpu time spent up to now is 169.2 secs Computing kpt #: 182 total cpu time spent up to now is 170.1 secs Computing kpt #: 183 total cpu time spent up to now is 171.6 secs Computing kpt #: 184 total cpu time spent up to now is 172.5 secs Computing kpt #: 185 total cpu time spent up to now is 173.5 secs Computing kpt #: 186 total cpu time spent up to now is 174.4 secs Computing kpt #: 187 total cpu time spent up to now is 175.3 secs Computing kpt #: 188 total cpu time spent up to now is 176.2 secs Computing kpt #: 189 total cpu time spent up to now is 177.1 secs Computing kpt #: 190 total cpu time spent up to now is 178.0 secs Computing kpt #: 191 total cpu time spent up to now is 178.9 secs Computing kpt #: 192 total cpu time spent up to now is 179.9 secs Computing kpt #: 193 total cpu time spent up to now is 180.8 secs Computing kpt #: 194 total cpu time spent up to now is 181.7 secs Computing kpt #: 195 total cpu time spent up to now is 182.6 secs Computing kpt #: 196 total cpu time spent up to now is 183.6 secs Computing kpt #: 197 total cpu time spent up to now is 184.5 secs Computing kpt #: 198 total cpu time spent up to now is 185.4 secs Computing kpt #: 199 total cpu time spent up to now is 186.3 secs Computing kpt #: 200 total cpu time spent up to now is 187.3 secs Computing kpt #: 201 total cpu time spent up to now is 188.2 secs Computing kpt #: 202 total cpu time spent up to now is 189.1 secs Computing kpt #: 203 total cpu time spent up to now is 190.0 secs Computing kpt #: 204 total cpu time spent up to now is 191.0 secs Computing kpt #: 205 total cpu time spent up to now is 191.9 secs Computing kpt #: 206 total cpu time spent up to now is 192.8 secs Computing kpt #: 207 total cpu time spent up to now is 193.7 secs Computing kpt #: 208 total cpu time spent up to now is 194.6 secs Computing kpt #: 209 total cpu time spent up to now is 195.6 secs Computing kpt #: 210 total cpu time spent up to now is 196.5 secs Computing kpt #: 211 total cpu time spent up to now is 197.4 secs Computing kpt #: 212 total cpu time spent up to now is 198.4 secs Computing kpt #: 213 total cpu time spent up to now is 199.3 secs Computing kpt #: 214 total cpu time spent up to now is 200.2 secs Computing kpt #: 215 total cpu time spent up to now is 201.1 secs Computing kpt #: 216 total cpu time spent up to now is 202.1 secs Computing kpt #: 217 total cpu time spent up to now is 203.0 secs Computing kpt #: 218 total cpu time spent up to now is 203.9 secs Computing kpt #: 219 total cpu time spent up to now is 204.9 secs Computing kpt #: 220 total cpu time spent up to now is 205.8 secs Computing kpt #: 221 total cpu time spent up to now is 206.8 secs Computing kpt #: 222 total cpu time spent up to now is 207.7 secs Computing kpt #: 223 total cpu time spent up to now is 208.6 secs Computing kpt #: 224 total cpu time spent up to now is 209.6 secs Computing kpt #: 225 total cpu time spent up to now is 210.5 secs Computing kpt #: 226 total cpu time spent up to now is 211.4 secs Computing kpt #: 227 total cpu time spent up to now is 212.3 secs Computing kpt #: 228 total cpu time spent up to now is 213.2 secs Computing kpt #: 229 total cpu time spent up to now is 214.2 secs Computing kpt #: 230 total cpu time spent up to now is 215.1 secs Computing kpt #: 231 total cpu time spent up to now is 216.0 secs Computing kpt #: 232 total cpu time spent up to now is 216.9 secs Computing kpt #: 233 total cpu time spent up to now is 217.7 secs Computing kpt #: 234 total cpu time spent up to now is 218.6 secs Computing kpt #: 235 total cpu time spent up to now is 219.5 secs Computing kpt #: 236 total cpu time spent up to now is 220.4 secs Computing kpt #: 237 total cpu time spent up to now is 221.3 secs Computing kpt #: 238 total cpu time spent up to now is 222.2 secs Computing kpt #: 239 total cpu time spent up to now is 223.1 secs Computing kpt #: 240 total cpu time spent up to now is 223.9 secs Computing kpt #: 241 total cpu time spent up to now is 224.8 secs Computing kpt #: 242 total cpu time spent up to now is 225.7 secs Computing kpt #: 243 total cpu time spent up to now is 226.6 secs Computing kpt #: 244 total cpu time spent up to now is 227.5 secs Computing kpt #: 245 total cpu time spent up to now is 228.4 secs Computing kpt #: 246 total cpu time spent up to now is 229.3 secs Computing kpt #: 247 total cpu time spent up to now is 230.2 secs Computing kpt #: 248 total cpu time spent up to now is 231.1 secs Computing kpt #: 249 total cpu time spent up to now is 232.0 secs Computing kpt #: 250 total cpu time spent up to now is 232.8 secs Computing kpt #: 251 total cpu time spent up to now is 233.7 secs Computing kpt #: 252 total cpu time spent up to now is 234.6 secs Computing kpt #: 253 total cpu time spent up to now is 235.5 secs Computing kpt #: 254 total cpu time spent up to now is 236.4 secs Computing kpt #: 255 total cpu time spent up to now is 237.3 secs Computing kpt #: 256 total cpu time spent up to now is 238.2 secs Computing kpt #: 257 total cpu time spent up to now is 239.2 secs Computing kpt #: 258 total cpu time spent up to now is 240.1 secs Computing kpt #: 259 total cpu time spent up to now is 241.0 secs Computing kpt #: 260 total cpu time spent up to now is 241.9 secs Computing kpt #: 261 total cpu time spent up to now is 242.8 secs Computing kpt #: 262 total cpu time spent up to now is 243.7 secs Computing kpt #: 263 total cpu time spent up to now is 244.6 secs Computing kpt #: 264 total cpu time spent up to now is 245.5 secs Computing kpt #: 265 total cpu time spent up to now is 246.4 secs Computing kpt #: 266 total cpu time spent up to now is 247.3 secs Computing kpt #: 267 total cpu time spent up to now is 248.2 secs Computing kpt #: 268 total cpu time spent up to now is 249.1 secs Computing kpt #: 269 total cpu time spent up to now is 249.9 secs Computing kpt #: 270 total cpu time spent up to now is 250.8 secs ethr = 1.79E-08, avg # of iterations = 14.2 total cpu time spent up to now is 250.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11511 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6990 -14.6990 -14.2597 -14.2597 -14.2479 -14.2479 -14.1890 -14.1890 -12.1983 -12.1983 -12.1220 -12.1220 -4.7295 -4.7295 -4.6333 -4.6333 -4.0343 -4.0343 -3.2221 -3.2221 -3.2012 -3.2012 -2.9681 -2.9681 -2.8470 -2.8470 -2.3067 -2.3067 -1.8283 -1.8283 -1.7464 -1.7464 -1.5487 -1.5487 -1.5475 -1.5475 -1.2295 -1.2295 -1.0847 -1.0847 -0.7997 -0.7997 -0.7161 -0.7161 -0.6882 -0.6882 -0.6762 -0.6762 -0.6029 -0.6029 -0.2741 -0.2741 -0.2168 -0.2168 -0.2072 -0.2072 1.3195 1.3195 4.8014 4.8014 k = 0.0000 0.0227-0.0000 ( 11501 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6988 -14.6988 -14.2598 -14.2598 -14.2480 -14.2480 -14.1891 -14.1891 -12.1982 -12.1982 -12.1221 -12.1221 -4.7301 -4.7301 -4.6326 -4.6326 -4.0343 -4.0343 -3.2214 -3.2214 -3.2004 -3.2004 -2.9682 -2.9682 -2.8471 -2.8471 -2.3061 -2.3061 -1.8290 -1.8290 -1.7473 -1.7473 -1.5484 -1.5484 -1.5476 -1.5476 -1.2299 -1.2299 -1.0878 -1.0878 -0.8008 -0.8008 -0.7176 -0.7176 -0.6866 -0.6866 -0.6744 -0.6744 -0.6006 -0.6006 -0.2742 -0.2742 -0.2172 -0.2172 -0.2076 -0.2076 1.3185 1.3185 4.8041 4.8041 k = 0.0000 0.0455-0.0000 ( 11475 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6981 -14.6981 -14.2602 -14.2602 -14.2484 -14.2484 -14.1893 -14.1893 -12.1978 -12.1978 -12.1223 -12.1223 -4.7317 -4.7317 -4.6306 -4.6306 -4.0343 -4.0343 -3.2196 -3.2196 -3.1977 -3.1977 -2.9685 -2.9685 -2.8475 -2.8475 -2.3041 -2.3041 -1.8312 -1.8312 -1.7495 -1.7495 -1.5488 -1.5488 -1.5467 -1.5467 -1.2309 -1.2309 -1.0968 -1.0968 -0.8040 -0.8040 -0.7217 -0.7217 -0.6823 -0.6823 -0.6690 -0.6690 -0.5943 -0.5943 -0.2745 -0.2745 -0.2182 -0.2182 -0.2088 -0.2088 1.3157 1.3157 4.8123 4.8123 k = 0.0000 0.0682-0.0000 ( 11455 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6969 -14.6969 -14.2609 -14.2609 -14.2487 -14.2487 -14.1897 -14.1897 -12.1972 -12.1972 -12.1227 -12.1227 -4.7344 -4.7344 -4.6272 -4.6272 -4.0342 -4.0342 -3.2178 -3.2178 -3.1921 -3.1921 -2.9691 -2.9691 -2.8481 -2.8481 -2.3009 -2.3009 -1.8351 -1.8351 -1.7527 -1.7527 -1.5499 -1.5499 -1.5449 -1.5449 -1.2324 -1.2324 -1.1112 -1.1112 -0.8095 -0.8095 -0.7268 -0.7268 -0.6766 -0.6766 -0.6597 -0.6597 -0.5850 -0.5850 -0.2751 -0.2751 -0.2199 -0.2199 -0.2107 -0.2107 1.3111 1.3111 4.8257 4.8257 k = 0.0000 0.0909-0.0000 ( 11455 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6953 -14.6953 -14.2622 -14.2622 -14.2491 -14.2491 -14.1903 -14.1903 -12.1963 -12.1963 -12.1232 -12.1232 -4.7381 -4.7381 -4.6226 -4.6226 -4.0341 -4.0341 -3.2167 -3.2167 -3.1830 -3.1830 -2.9698 -2.9698 -2.8490 -2.8490 -2.2964 -2.2964 -1.8410 -1.8410 -1.7561 -1.7561 -1.5516 -1.5516 -1.5429 -1.5429 -1.2345 -1.2345 -1.1301 -1.1301 -0.8175 -0.8175 -0.7316 -0.7316 -0.6701 -0.6701 -0.6469 -0.6469 -0.5738 -0.5738 -0.2758 -0.2758 -0.2224 -0.2224 -0.2132 -0.2132 1.3046 1.3046 4.8443 4.8443 k = 0.0000 0.1136-0.0000 ( 11457 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6933 -14.6933 -14.2640 -14.2640 -14.2491 -14.2491 -14.1910 -14.1910 -12.1952 -12.1952 -12.1238 -12.1238 -4.7426 -4.7426 -4.6169 -4.6169 -4.0339 -4.0339 -3.2166 -3.2166 -3.1704 -3.1704 -2.9708 -2.9708 -2.8500 -2.8500 -2.2909 -2.2909 -1.8491 -1.8491 -1.7590 -1.7590 -1.5537 -1.5537 -1.5411 -1.5411 -1.2368 -1.2368 -1.1527 -1.1527 -0.8279 -0.8279 -0.7353 -0.7353 -0.6625 -0.6625 -0.6314 -0.6314 -0.5615 -0.5615 -0.2769 -0.2769 -0.2258 -0.2258 -0.2160 -0.2160 1.2966 1.2966 4.8680 4.8680 k = 0.0000 0.1364-0.0000 ( 11459 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6908 -14.6908 -14.2665 -14.2665 -14.2489 -14.2489 -14.1918 -14.1918 -12.1939 -12.1939 -12.1246 -12.1246 -4.7479 -4.7479 -4.6100 -4.6100 -4.0336 -4.0336 -3.2172 -3.2172 -3.1548 -3.1548 -2.9720 -2.9720 -2.8511 -2.8511 -2.2844 -2.2844 -1.8594 -1.8594 -1.7610 -1.7610 -1.5561 -1.5561 -1.5399 -1.5399 -1.2392 -1.2392 -1.1782 -1.1782 -0.8402 -0.8402 -0.7376 -0.7376 -0.6540 -0.6540 -0.6143 -0.6143 -0.5487 -0.5487 -0.2783 -0.2783 -0.2300 -0.2300 -0.2193 -0.2193 1.2872 1.2872 4.8964 4.8964 k = 0.0000 0.1591-0.0000 ( 11469 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6881 -14.6881 -14.2697 -14.2697 -14.2484 -14.2484 -14.1929 -14.1929 -12.1923 -12.1923 -12.1255 -12.1255 -4.7538 -4.7538 -4.6022 -4.6022 -4.0331 -4.0331 -3.2184 -3.2184 -3.1367 -3.1367 -2.9733 -2.9733 -2.8523 -2.8523 -2.2771 -2.2771 -1.8717 -1.8717 -1.7620 -1.7620 -1.5589 -1.5589 -1.5395 -1.5395 -1.2418 -1.2418 -1.2056 -1.2056 -0.8540 -0.8540 -0.7388 -0.7388 -0.6446 -0.6446 -0.5962 -0.5962 -0.5357 -0.5357 -0.2801 -0.2801 -0.2350 -0.2350 -0.2228 -0.2228 1.2766 1.2766 4.9293 4.9293 k = 0.0000 0.1818-0.0000 ( 11459 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6849 -14.6849 -14.2733 -14.2733 -14.2476 -14.2476 -14.1940 -14.1940 -12.1906 -12.1906 -12.1266 -12.1266 -4.7602 -4.7602 -4.5936 -4.5936 -4.0325 -4.0325 -3.2201 -3.2201 -3.1165 -3.1165 -2.9749 -2.9749 -2.8534 -2.8534 -2.2691 -2.2691 -1.8855 -1.8855 -1.7619 -1.7619 -1.5619 -1.5619 -1.5400 -1.5400 -1.2462 -1.2462 -1.2326 -1.2326 -0.8688 -0.8688 -0.7389 -0.7389 -0.6342 -0.6342 -0.5775 -0.5775 -0.5228 -0.5228 -0.2824 -0.2824 -0.2406 -0.2406 -0.2266 -0.2266 1.2650 1.2650 4.9664 4.9664 k = 0.0000 0.2045-0.0000 ( 11453 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6816 -14.6816 -14.2774 -14.2774 -14.2466 -14.2466 -14.1953 -14.1953 -12.1887 -12.1887 -12.1277 -12.1277 -4.7669 -4.7669 -4.5844 -4.5844 -4.0318 -4.0318 -3.2222 -3.2222 -3.0945 -3.0945 -2.9765 -2.9765 -2.8545 -2.8545 -2.2606 -2.2606 -1.9003 -1.9003 -1.7609 -1.7609 -1.5651 -1.5651 -1.5416 -1.5416 -1.2687 -1.2687 -1.2424 -1.2424 -0.8842 -0.8842 -0.7382 -0.7382 -0.6232 -0.6232 -0.5587 -0.5587 -0.5101 -0.5101 -0.2854 -0.2854 -0.2464 -0.2464 -0.2308 -0.2308 1.2526 1.2526 5.0073 5.0073 k = 0.0000 0.2273-0.0000 ( 11431 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6780 -14.6780 -14.2818 -14.2818 -14.2454 -14.2454 -14.1967 -14.1967 -12.1866 -12.1866 -12.1291 -12.1291 -4.7737 -4.7737 -4.5747 -4.5747 -4.0308 -4.0308 -3.2247 -3.2247 -3.0711 -3.0711 -2.9783 -2.9783 -2.8556 -2.8556 -2.2517 -2.2517 -1.9157 -1.9157 -1.7592 -1.7592 -1.5685 -1.5685 -1.5442 -1.5442 -1.2994 -1.2994 -1.2441 -1.2441 -0.8996 -0.8996 -0.7370 -0.7370 -0.6115 -0.6115 -0.5399 -0.5399 -0.4979 -0.4979 -0.2893 -0.2893 -0.2523 -0.2523 -0.2354 -0.2354 1.2399 1.2399 5.0515 5.0515 k = 0.0000 0.2500-0.0000 ( 11429 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6742 -14.6742 -14.2865 -14.2865 -14.2440 -14.2440 -14.1983 -14.1983 -12.1844 -12.1844 -12.1305 -12.1305 -4.7806 -4.7806 -4.5648 -4.5648 -4.0297 -4.0297 -3.2275 -3.2275 -3.0469 -3.0469 -2.9802 -2.9802 -2.8565 -2.8565 -2.2427 -2.2427 -1.9312 -1.9312 -1.7568 -1.7568 -1.5718 -1.5718 -1.5478 -1.5478 -1.3310 -1.3310 -1.2448 -1.2448 -0.9150 -0.9150 -0.7355 -0.7355 -0.5993 -0.5993 -0.5216 -0.5216 -0.4860 -0.4860 -0.2944 -0.2944 -0.2578 -0.2578 -0.2402 -0.2402 1.2269 1.2269 5.0986 5.0986 k = 0.0000 0.2727-0.0000 ( 11435 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6703 -14.6703 -14.2912 -14.2912 -14.2425 -14.2425 -14.1999 -14.1999 -12.1820 -12.1820 -12.1321 -12.1321 -4.7874 -4.7874 -4.5548 -4.5548 -4.0283 -4.0283 -3.2307 -3.2307 -3.0223 -3.0223 -2.9822 -2.9822 -2.8573 -2.8573 -2.2337 -2.2337 -1.9464 -1.9464 -1.7540 -1.7540 -1.5752 -1.5752 -1.5521 -1.5521 -1.3627 -1.3627 -1.2449 -1.2449 -0.9299 -0.9299 -0.7337 -0.7337 -0.5868 -0.5868 -0.5038 -0.5038 -0.4746 -0.4746 -0.3006 -0.3006 -0.2630 -0.2630 -0.2454 -0.2454 1.2139 1.2139 5.1479 5.1479 k = 0.0000 0.2955-0.0000 ( 11429 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6665 -14.6665 -14.2960 -14.2960 -14.2409 -14.2409 -14.2016 -14.2016 -12.1796 -12.1796 -12.1338 -12.1338 -4.7939 -4.7939 -4.5449 -4.5449 -4.0267 -4.0267 -3.2342 -3.2342 -2.9978 -2.9978 -2.9840 -2.9840 -2.8580 -2.8580 -2.2250 -2.2250 -1.9609 -1.9609 -1.7507 -1.7507 -1.5785 -1.5785 -1.5570 -1.5570 -1.3939 -1.3939 -1.2445 -1.2445 -0.9441 -0.9441 -0.7318 -0.7318 -0.5741 -0.5741 -0.4870 -0.4870 -0.4634 -0.4634 -0.3080 -0.3080 -0.2677 -0.2677 -0.2507 -0.2507 1.2013 1.2013 5.1988 5.1988 k = 0.0000 0.3182-0.0000 ( 11409 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6626 -14.6626 -14.3007 -14.3007 -14.2391 -14.2391 -14.2035 -14.2035 -12.1771 -12.1771 -12.1356 -12.1356 -4.8001 -4.8001 -4.5355 -4.5355 -4.0250 -4.0250 -3.2378 -3.2378 -2.9862 -2.9862 -2.9733 -2.9733 -2.8585 -2.8585 -2.2166 -2.2166 -1.9745 -1.9745 -1.7470 -1.7470 -1.5816 -1.5816 -1.5622 -1.5622 -1.4241 -1.4241 -1.2438 -1.2438 -0.9575 -0.9575 -0.7298 -0.7298 -0.5613 -0.5613 -0.4717 -0.4717 -0.4521 -0.4521 -0.3164 -0.3164 -0.2724 -0.2724 -0.2559 -0.2559 1.1892 1.1892 5.2504 5.2504 k = 0.0000 0.3409-0.0000 ( 11419 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6590 -14.6590 -14.3052 -14.3052 -14.2373 -14.2373 -14.2053 -14.2053 -12.1745 -12.1745 -12.1376 -12.1376 -4.8058 -4.8058 -4.5266 -4.5266 -4.0232 -4.0232 -3.2415 -3.2415 -2.9879 -2.9879 -2.9504 -2.9504 -2.8589 -2.8589 -2.2088 -2.2088 -1.9870 -1.9870 -1.7430 -1.7430 -1.5845 -1.5845 -1.5675 -1.5675 -1.4530 -1.4530 -1.2430 -1.2430 -0.9698 -0.9698 -0.7280 -0.7280 -0.5486 -0.5486 -0.4587 -0.4587 -0.4400 -0.4400 -0.3255 -0.3255 -0.2774 -0.2774 -0.2608 -0.2608 1.1780 1.1780 5.3018 5.3018 k = 0.0000 0.3636-0.0000 ( 11414 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6556 -14.6556 -14.3094 -14.3094 -14.2354 -14.2354 -14.2073 -14.2073 -12.1718 -12.1718 -12.1396 -12.1396 -4.8110 -4.8110 -4.5184 -4.5184 -4.0213 -4.0213 -3.2451 -3.2451 -2.9896 -2.9896 -2.9290 -2.9290 -2.8593 -2.8593 -2.2017 -2.2017 -1.9981 -1.9981 -1.7388 -1.7388 -1.5872 -1.5872 -1.5727 -1.5727 -1.4801 -1.4801 -1.2420 -1.2420 -0.9809 -0.9809 -0.7262 -0.7262 -0.5362 -0.5362 -0.4484 -0.4484 -0.4269 -0.4269 -0.3349 -0.3349 -0.2831 -0.2831 -0.2650 -0.2650 1.1677 1.1677 5.3519 5.3519 k = 0.0000 0.3864-0.0000 ( 11412 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6525 -14.6525 -14.3132 -14.3132 -14.2335 -14.2335 -14.2093 -14.2093 -12.1692 -12.1692 -12.1417 -12.1417 -4.8155 -4.8155 -4.5112 -4.5112 -4.0195 -4.0195 -3.2485 -3.2485 -2.9911 -2.9911 -2.9096 -2.9096 -2.8595 -2.8595 -2.1955 -2.1955 -2.0077 -2.0077 -1.7344 -1.7344 -1.5895 -1.5895 -1.5774 -1.5774 -1.5047 -1.5047 -1.2410 -1.2410 -0.9905 -0.9905 -0.7247 -0.7247 -0.5243 -0.5243 -0.4404 -0.4404 -0.4133 -0.4133 -0.3444 -0.3444 -0.2898 -0.2898 -0.2682 -0.2682 1.1587 1.1587 5.3992 5.3992 k = 0.0000 0.4091-0.0000 ( 11410 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6498 -14.6498 -14.3164 -14.3164 -14.2316 -14.2316 -14.2112 -14.2112 -12.1666 -12.1666 -12.1438 -12.1438 -4.8192 -4.8192 -4.5051 -4.5051 -4.0179 -4.0179 -3.2515 -3.2515 -2.9923 -2.9923 -2.8929 -2.8929 -2.8597 -2.8597 -2.1904 -2.1904 -2.0156 -2.0156 -1.7300 -1.7300 -1.5914 -1.5914 -1.5817 -1.5817 -1.5264 -1.5264 -1.2401 -1.2401 -0.9987 -0.9987 -0.7233 -0.7233 -0.5132 -0.5132 -0.4341 -0.4341 -0.3999 -0.3999 -0.3536 -0.3536 -0.2973 -0.2973 -0.2707 -0.2707 1.1511 1.1511 5.4421 5.4421 k = 0.0000 0.4318-0.0000 ( 11414 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6476 -14.6476 -14.3191 -14.3191 -14.2297 -14.2297 -14.2131 -14.2131 -12.1641 -12.1641 -12.1460 -12.1460 -4.8222 -4.8222 -4.5002 -4.5002 -4.0165 -4.0165 -3.2541 -3.2541 -2.9934 -2.9934 -2.8794 -2.8794 -2.8598 -2.8598 -2.1862 -2.1862 -2.0218 -2.0218 -1.7259 -1.7259 -1.5929 -1.5929 -1.5853 -1.5853 -1.5444 -1.5444 -1.2393 -1.2393 -1.0051 -1.0051 -0.7223 -0.7223 -0.5034 -0.5034 -0.4294 -0.4294 -0.3872 -0.3872 -0.3619 -0.3619 -0.3053 -0.3053 -0.2725 -0.2725 1.1451 1.1451 5.4787 5.4787 k = 0.0000 0.4545-0.0000 ( 11404 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6460 -14.6460 -14.3210 -14.3210 -14.2280 -14.2280 -14.2148 -14.2148 -12.1618 -12.1618 -12.1481 -12.1481 -4.8244 -4.8244 -4.4966 -4.4966 -4.0154 -4.0154 -3.2560 -3.2560 -2.9941 -2.9941 -2.8693 -2.8693 -2.8599 -2.8599 -2.1833 -2.1833 -2.0263 -2.0263 -1.7224 -1.7224 -1.5939 -1.5939 -1.5880 -1.5880 -1.5581 -1.5581 -1.2387 -1.2387 -1.0098 -1.0098 -0.7215 -0.7215 -0.4955 -0.4955 -0.4260 -0.4260 -0.3760 -0.3760 -0.3688 -0.3688 -0.3132 -0.3132 -0.2737 -0.2737 1.1406 1.1406 5.5069 5.5069 k = 0.0000 0.4773-0.0000 ( 11416 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6450 -14.6450 -14.3222 -14.3222 -14.2268 -14.2268 -14.2161 -14.2161 -12.1599 -12.1599 -12.1498 -12.1498 -4.8257 -4.8257 -4.4944 -4.4944 -4.0147 -4.0147 -3.2572 -3.2572 -2.9946 -2.9946 -2.8631 -2.8631 -2.8600 -2.8600 -2.1815 -2.1815 -2.0289 -2.0289 -1.7200 -1.7200 -1.5945 -1.5945 -1.5899 -1.5899 -1.5666 -1.5666 -1.2383 -1.2383 -1.0127 -1.0127 -0.7210 -0.7210 -0.4903 -0.4903 -0.4240 -0.4240 -0.3735 -0.3735 -0.3674 -0.3674 -0.3198 -0.3198 -0.2745 -0.2745 1.1380 1.1380 5.5248 5.5248 k = 0.0000 0.5000-0.0000 ( 11430 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6447 -14.6447 -14.3226 -14.3226 -14.2263 -14.2263 -14.2166 -14.2166 -12.1591 -12.1591 -12.1505 -12.1505 -4.8262 -4.8262 -4.4937 -4.4937 -4.0145 -4.0145 -3.2576 -3.2576 -2.9947 -2.9947 -2.8608 -2.8608 -2.8603 -2.8603 -2.1809 -2.1809 -2.0298 -2.0298 -1.7191 -1.7191 -1.5946 -1.5946 -1.5906 -1.5906 -1.5695 -1.5695 -1.2382 -1.2382 -1.0136 -1.0136 -0.7209 -0.7209 -0.4885 -0.4885 -0.4233 -0.4233 -0.3751 -0.3751 -0.3639 -0.3639 -0.3226 -0.3226 -0.2747 -0.2747 1.1370 1.1370 5.5309 5.5309 k = 0.0000 0.5000-0.0000 ( 11430 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6447 -14.6447 -14.3226 -14.3226 -14.2263 -14.2263 -14.2166 -14.2166 -12.1591 -12.1591 -12.1505 -12.1505 -4.8262 -4.8262 -4.4937 -4.4937 -4.0145 -4.0145 -3.2576 -3.2576 -2.9947 -2.9947 -2.8608 -2.8608 -2.8603 -2.8603 -2.1809 -2.1809 -2.0298 -2.0298 -1.7191 -1.7191 -1.5946 -1.5946 -1.5906 -1.5906 -1.5695 -1.5695 -1.2382 -1.2382 -1.0136 -1.0136 -0.7209 -0.7209 -0.4885 -0.4885 -0.4233 -0.4233 -0.3751 -0.3751 -0.3639 -0.3639 -0.3226 -0.3226 -0.2747 -0.2747 1.1370 1.1370 5.5309 5.5309 k = 0.0227 0.5000-0.0000 ( 11416 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6445 -14.6445 -14.3225 -14.3225 -14.2264 -14.2264 -14.2169 -14.2169 -12.1591 -12.1591 -12.1505 -12.1505 -4.8268 -4.8268 -4.4930 -4.4930 -4.0146 -4.0146 -3.2560 -3.2560 -2.9947 -2.9947 -2.8612 -2.8612 -2.8601 -2.8601 -2.1802 -2.1802 -2.0295 -2.0295 -1.7209 -1.7209 -1.5950 -1.5950 -1.5896 -1.5896 -1.5703 -1.5703 -1.2387 -1.2387 -1.0135 -1.0135 -0.7227 -0.7227 -0.4903 -0.4903 -0.4224 -0.4224 -0.3912 -0.3912 -0.3482 -0.3482 -0.3205 -0.3205 -0.2740 -0.2740 1.1356 1.1356 5.5325 5.5325 k = 0.0455 0.5000-0.0000 ( 11422 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6438 -14.6438 -14.3222 -14.3222 -14.2268 -14.2268 -14.2178 -14.2178 -12.1589 -12.1589 -12.1505 -12.1505 -4.8285 -4.8285 -4.4909 -4.4909 -4.0148 -4.0148 -3.2509 -3.2509 -2.9948 -2.9948 -2.8621 -2.8621 -2.8599 -2.8599 -2.1780 -2.1780 -2.0286 -2.0286 -1.7260 -1.7260 -1.5959 -1.5959 -1.5871 -1.5871 -1.5725 -1.5725 -1.2403 -1.2403 -1.0133 -1.0133 -0.7280 -0.7280 -0.4957 -0.4957 -0.4220 -0.4220 -0.4092 -0.4092 -0.3301 -0.3301 -0.3138 -0.3138 -0.2716 -0.2716 1.1314 1.1314 5.5372 5.5372 k = 0.0682 0.5000-0.0000 ( 11416 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6426 -14.6426 -14.3216 -14.3216 -14.2274 -14.2274 -14.2193 -14.2193 -12.1587 -12.1587 -12.1504 -12.1504 -4.8314 -4.8314 -4.4875 -4.4875 -4.0151 -4.0151 -3.2426 -3.2426 -2.9948 -2.9948 -2.8633 -2.8633 -2.8598 -2.8598 -2.1745 -2.1745 -2.0270 -2.0270 -1.7339 -1.7339 -1.5976 -1.5976 -1.5847 -1.5847 -1.5748 -1.5748 -1.2430 -1.2430 -1.0128 -1.0128 -0.7364 -0.7364 -0.5041 -0.5041 -0.4362 -0.4362 -0.4103 -0.4103 -0.3163 -0.3163 -0.3022 -0.3022 -0.2664 -0.2664 1.1245 1.1245 5.5450 5.5450 k = 0.0909 0.5000-0.0000 ( 11434 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6410 -14.6410 -14.3208 -14.3208 -14.2282 -14.2282 -14.2213 -14.2213 -12.1583 -12.1583 -12.1504 -12.1504 -4.8354 -4.8354 -4.4828 -4.4828 -4.0155 -4.0155 -3.2312 -3.2312 -2.9949 -2.9949 -2.8648 -2.8648 -2.8598 -2.8598 -2.1698 -2.1698 -2.0248 -2.0248 -1.7439 -1.7439 -1.6000 -1.6000 -1.5867 -1.5867 -1.5737 -1.5737 -1.2466 -1.2466 -1.0123 -1.0123 -0.7476 -0.7476 -0.5147 -0.5147 -0.4560 -0.4560 -0.4034 -0.4034 -0.3066 -0.3066 -0.2890 -0.2890 -0.2568 -0.2568 1.1151 1.1151 5.5558 5.5558 k = 0.1136 0.5000-0.0000 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6389 -14.6389 -14.3198 -14.3198 -14.2294 -14.2294 -14.2238 -14.2238 -12.1579 -12.1579 -12.1503 -12.1503 -4.8403 -4.8403 -4.4769 -4.4769 -4.0160 -4.0160 -3.2169 -3.2169 -2.9951 -2.9951 -2.8666 -2.8666 -2.8600 -2.8600 -2.1638 -2.1638 -2.0220 -2.0220 -1.7553 -1.7553 -1.6038 -1.6038 -1.5924 -1.5924 -1.5694 -1.5694 -1.2511 -1.2511 -1.0116 -1.0116 -0.7609 -0.7609 -0.5267 -0.5267 -0.4757 -0.4757 -0.3946 -0.3946 -0.2992 -0.2992 -0.2774 -0.2774 -0.2424 -0.2424 1.1033 1.1033 5.5694 5.5694 k = 0.1364 0.5000-0.0000 ( 11442 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6365 -14.6365 -14.3186 -14.3186 -14.2308 -14.2308 -14.2268 -14.2268 -12.1574 -12.1574 -12.1503 -12.1503 -4.8460 -4.8460 -4.4699 -4.4699 -4.0165 -4.0165 -3.1999 -3.1999 -2.9953 -2.9953 -2.8686 -2.8686 -2.8603 -2.8603 -2.1567 -2.1567 -2.0186 -2.0186 -1.7676 -1.7676 -1.6102 -1.6102 -1.5984 -1.5984 -1.5648 -1.5648 -1.2563 -1.2563 -1.0108 -1.0108 -0.7759 -0.7759 -0.5396 -0.5396 -0.4945 -0.4945 -0.3846 -0.3846 -0.2938 -0.2938 -0.2663 -0.2663 -0.2252 -0.2252 1.0895 1.0895 5.5855 5.5855 k = 0.1591 0.5000-0.0000 ( 11446 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6337 -14.6337 -14.3172 -14.3172 -14.2326 -14.2326 -14.2300 -14.2300 -12.1568 -12.1568 -12.1502 -12.1502 -4.8524 -4.8524 -4.4620 -4.4620 -4.0171 -4.0171 -3.1806 -3.1806 -2.9955 -2.9955 -2.8708 -2.8708 -2.8609 -2.8609 -2.1487 -2.1487 -2.0146 -2.0146 -1.7803 -1.7803 -1.6201 -1.6201 -1.6031 -1.6031 -1.5605 -1.5605 -1.2622 -1.2622 -1.0101 -1.0101 -0.7921 -0.7921 -0.5529 -0.5529 -0.5123 -0.5123 -0.3740 -0.3740 -0.2900 -0.2900 -0.2548 -0.2548 -0.2072 -0.2072 1.0740 1.0740 5.6038 5.6038 k = 0.1818 0.5000-0.0000 ( 11438 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6306 -14.6306 -14.3156 -14.3156 -14.2355 -14.2355 -14.2328 -14.2328 -12.1562 -12.1562 -12.1501 -12.1501 -4.8593 -4.8593 -4.4532 -4.4532 -4.0177 -4.0177 -3.1591 -3.1591 -2.9958 -2.9958 -2.8730 -2.8730 -2.8618 -2.8618 -2.1400 -2.1400 -2.0100 -2.0100 -1.7931 -1.7931 -1.6326 -1.6326 -1.6072 -1.6072 -1.5570 -1.5570 -1.2684 -1.2684 -1.0093 -1.0093 -0.8091 -0.8091 -0.5662 -0.5662 -0.5288 -0.5288 -0.3631 -0.3631 -0.2870 -0.2870 -0.2431 -0.2431 -0.1894 -0.1894 1.0570 1.0570 5.6241 5.6241 k = 0.2045 0.5000-0.0000 ( 11424 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6272 -14.6272 -14.3138 -14.3138 -14.2393 -14.2393 -14.2351 -14.2351 -12.1556 -12.1556 -12.1500 -12.1500 -4.8665 -4.8665 -4.4437 -4.4437 -4.0182 -4.0182 -3.1360 -3.1360 -2.9962 -2.9962 -2.8753 -2.8753 -2.8629 -2.8629 -2.1306 -2.1306 -2.0049 -2.0049 -1.8057 -1.8057 -1.6472 -1.6472 -1.6110 -1.6110 -1.5545 -1.5545 -1.2749 -1.2749 -1.0086 -1.0086 -0.8265 -0.8265 -0.5792 -0.5792 -0.5441 -0.5441 -0.3522 -0.3522 -0.2846 -0.2846 -0.2314 -0.2314 -0.1721 -0.1721 1.0391 1.0391 5.6460 5.6460 k = 0.2273 0.5000-0.0000 ( 11432 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6235 -14.6235 -14.3119 -14.3119 -14.2437 -14.2437 -14.2373 -14.2373 -12.1549 -12.1549 -12.1500 -12.1500 -4.8739 -4.8739 -4.4337 -4.4337 -4.0186 -4.0186 -3.1116 -3.1116 -2.9966 -2.9966 -2.8776 -2.8776 -2.8644 -2.8644 -2.1209 -2.1209 -1.9993 -1.9993 -1.8178 -1.8178 -1.6633 -1.6633 -1.6148 -1.6148 -1.5532 -1.5532 -1.2815 -1.2815 -1.0080 -1.0080 -0.8439 -0.8439 -0.5919 -0.5919 -0.5581 -0.5581 -0.3415 -0.3415 -0.2824 -0.2824 -0.2201 -0.2201 -0.1558 -0.1558 1.0204 1.0204 5.6692 5.6692 k = 0.2500 0.5000-0.0000 ( 11430 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6197 -14.6197 -14.3098 -14.3098 -14.2483 -14.2483 -14.2396 -14.2396 -12.1542 -12.1542 -12.1499 -12.1499 -4.8813 -4.8813 -4.4235 -4.4235 -4.0189 -4.0189 -3.0863 -3.0863 -2.9971 -2.9971 -2.8798 -2.8798 -2.8663 -2.8663 -2.1109 -2.1109 -1.9932 -1.9932 -1.8291 -1.8291 -1.6807 -1.6807 -1.6185 -1.6185 -1.5530 -1.5530 -1.2879 -1.2879 -1.0076 -1.0076 -0.8611 -0.8611 -0.6039 -0.6039 -0.5707 -0.5707 -0.3313 -0.3313 -0.2804 -0.2804 -0.2093 -0.2093 -0.1404 -0.1404 1.0015 1.0015 5.6930 5.6930 k = 0.2727 0.5000-0.0000 ( 11422 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6158 -14.6158 -14.3076 -14.3076 -14.2531 -14.2531 -14.2420 -14.2420 -12.1535 -12.1535 -12.1498 -12.1498 -4.8886 -4.8886 -4.4132 -4.4132 -4.0191 -4.0191 -3.0606 -3.0606 -2.9977 -2.9977 -2.8819 -2.8819 -2.8685 -2.8685 -2.1008 -2.1008 -1.9867 -1.9867 -1.8395 -1.8395 -1.6993 -1.6993 -1.6222 -1.6222 -1.5540 -1.5540 -1.2939 -1.2939 -1.0076 -1.0076 -0.8775 -0.8775 -0.6152 -0.6152 -0.5819 -0.5819 -0.3217 -0.3217 -0.2785 -0.2785 -0.1991 -0.1991 -0.1262 -0.1262 0.9827 0.9827 5.7172 5.7172 k = 0.2955 0.5000-0.0000 ( 11424 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6119 -14.6119 -14.3052 -14.3052 -14.2578 -14.2578 -14.2446 -14.2446 -12.1528 -12.1528 -12.1497 -12.1497 -4.8957 -4.8957 -4.4030 -4.4030 -4.0191 -4.0191 -3.0350 -3.0350 -2.9982 -2.9982 -2.8838 -2.8838 -2.8710 -2.8710 -2.0909 -2.0909 -1.9796 -1.9796 -1.8489 -1.8489 -1.7187 -1.7187 -1.6258 -1.6258 -1.5561 -1.5561 -1.2995 -1.2995 -1.0079 -1.0079 -0.8930 -0.8930 -0.6257 -0.6257 -0.5918 -0.5918 -0.3128 -0.3128 -0.2766 -0.2766 -0.1897 -0.1897 -0.1131 -0.1131 0.9644 0.9644 5.7413 5.7413 k = 0.3182 0.5000-0.0000 ( 11432 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6081 -14.6081 -14.3028 -14.3028 -14.2624 -14.2624 -14.2472 -14.2472 -12.1521 -12.1521 -12.1496 -12.1496 -4.9023 -4.9023 -4.3932 -4.3932 -4.0190 -4.0190 -3.0103 -3.0103 -2.9985 -2.9985 -2.8856 -2.8856 -2.8738 -2.8738 -2.0812 -2.0812 -1.9722 -1.9722 -1.8572 -1.8572 -1.7386 -1.7386 -1.6292 -1.6292 -1.5591 -1.5591 -1.3044 -1.3044 -1.0088 -1.0088 -0.9071 -0.9071 -0.6352 -0.6352 -0.6004 -0.6004 -0.3048 -0.3048 -0.2748 -0.2748 -0.1811 -0.1811 -0.1013 -0.1013 0.9469 0.9469 5.7647 5.7647 k = 0.3409 0.5000-0.0000 ( 11434 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6044 -14.6044 -14.3003 -14.3003 -14.2668 -14.2668 -14.2499 -14.2499 -12.1515 -12.1515 -12.1495 -12.1495 -4.9085 -4.9085 -4.3840 -4.3840 -4.0188 -4.0188 -3.0002 -3.0002 -2.9853 -2.9853 -2.8871 -2.8871 -2.8767 -2.8767 -2.0720 -2.0720 -1.9644 -1.9644 -1.8643 -1.8643 -1.7589 -1.7589 -1.6323 -1.6323 -1.5627 -1.5627 -1.3087 -1.3087 -1.0102 -1.0102 -0.9195 -0.9195 -0.6438 -0.6438 -0.6078 -0.6078 -0.2977 -0.2977 -0.2730 -0.2730 -0.1733 -0.1733 -0.0908 -0.0908 0.9307 0.9307 5.7869 5.7869 k = 0.3636 0.5000-0.0000 ( 11432 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6009 -14.6009 -14.2979 -14.2979 -14.2708 -14.2708 -14.2527 -14.2527 -12.1510 -12.1510 -12.1495 -12.1495 -4.9140 -4.9140 -4.3755 -4.3755 -4.0185 -4.0185 -3.0006 -3.0006 -2.9633 -2.9633 -2.8885 -2.8885 -2.8797 -2.8797 -2.0634 -2.0634 -1.9561 -1.9561 -1.8702 -1.8702 -1.7792 -1.7792 -1.6351 -1.6351 -1.5668 -1.5668 -1.3123 -1.3123 -1.0123 -1.0123 -0.9300 -0.9300 -0.6513 -0.6513 -0.6140 -0.6140 -0.2917 -0.2917 -0.2712 -0.2712 -0.1666 -0.1666 -0.0817 -0.0817 0.9159 0.9159 5.8074 5.8074 k = 0.3864 0.5000-0.0000 ( 11436 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5978 -14.5978 -14.2955 -14.2955 -14.2742 -14.2742 -14.2554 -14.2554 -12.1505 -12.1505 -12.1494 -12.1494 -4.9188 -4.9188 -4.3681 -4.3681 -4.0181 -4.0181 -3.0011 -3.0011 -2.9433 -2.9433 -2.8896 -2.8896 -2.8825 -2.8825 -2.0556 -2.0556 -1.9475 -1.9475 -1.8750 -1.8750 -1.7991 -1.7991 -1.6376 -1.6376 -1.5710 -1.5710 -1.3153 -1.3153 -1.0149 -1.0149 -0.9385 -0.9385 -0.6577 -0.6577 -0.6192 -0.6192 -0.2867 -0.2867 -0.2694 -0.2694 -0.1608 -0.1608 -0.0739 -0.0739 0.9029 0.9029 5.8258 5.8258 k = 0.4091 0.5000-0.0000 ( 11444 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5951 -14.5951 -14.2935 -14.2935 -14.2769 -14.2769 -14.2581 -14.2581 -12.1501 -12.1501 -12.1493 -12.1493 -4.9229 -4.9229 -4.3617 -4.3617 -4.0176 -4.0176 -3.0016 -3.0016 -2.9259 -2.9259 -2.8906 -2.8906 -2.8850 -2.8850 -2.0488 -2.0488 -1.9384 -1.9384 -1.8788 -1.8788 -1.8183 -1.8183 -1.6397 -1.6397 -1.5751 -1.5751 -1.3176 -1.3176 -1.0178 -1.0178 -0.9449 -0.9449 -0.6630 -0.6630 -0.6233 -0.6233 -0.2830 -0.2830 -0.2676 -0.2676 -0.1560 -0.1560 -0.0675 -0.0675 0.8919 0.8919 5.8416 5.8416 k = 0.4318 0.5000-0.0000 ( 11458 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5929 -14.5929 -14.2920 -14.2920 -14.2786 -14.2786 -14.2606 -14.2606 -12.1497 -12.1497 -12.1493 -12.1493 -4.9261 -4.9261 -4.3566 -4.3566 -4.0173 -4.0173 -3.0021 -3.0021 -2.9119 -2.9119 -2.8914 -2.8914 -2.8871 -2.8871 -2.0431 -2.0431 -1.9288 -1.9288 -1.8816 -1.8816 -1.8363 -1.8363 -1.6414 -1.6414 -1.5786 -1.5786 -1.3193 -1.3193 -1.0207 -1.0207 -0.9495 -0.9495 -0.6672 -0.6672 -0.6264 -0.6264 -0.2803 -0.2803 -0.2659 -0.2659 -0.1522 -0.1522 -0.0625 -0.0625 0.8832 0.8832 5.8543 5.8543 k = 0.4545 0.5000-0.0000 ( 11462 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5912 -14.5912 -14.2911 -14.2911 -14.2793 -14.2793 -14.2628 -14.2628 -12.1495 -12.1495 -12.1492 -12.1492 -4.9285 -4.9285 -4.3529 -4.3529 -4.0169 -4.0169 -3.0024 -3.0024 -2.9015 -2.9015 -2.8920 -2.8920 -2.8886 -2.8886 -2.0389 -2.0389 -1.9190 -1.9190 -1.8837 -1.8837 -1.8525 -1.8525 -1.6426 -1.6426 -1.5813 -1.5813 -1.3205 -1.3205 -1.0232 -1.0232 -0.9525 -0.9525 -0.6701 -0.6701 -0.6286 -0.6286 -0.2785 -0.2785 -0.2645 -0.2645 -0.1496 -0.1496 -0.0589 -0.0589 0.8768 0.8768 5.8637 5.8637 k = 0.4773 0.5000-0.0000 ( 11452 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5902 -14.5902 -14.2908 -14.2908 -14.2793 -14.2793 -14.2643 -14.2643 -12.1494 -12.1494 -12.1492 -12.1492 -4.9298 -4.9298 -4.3506 -4.3506 -4.0167 -4.0167 -3.0026 -3.0026 -2.8951 -2.8951 -2.8924 -2.8924 -2.8895 -2.8895 -2.0362 -2.0362 -1.9096 -1.9096 -1.8852 -1.8852 -1.8654 -1.8654 -1.6433 -1.6433 -1.5830 -1.5830 -1.3212 -1.3212 -1.0248 -1.0248 -0.9542 -0.9542 -0.6719 -0.6719 -0.6299 -0.6299 -0.2776 -0.2776 -0.2635 -0.2635 -0.1479 -0.1479 -0.0568 -0.0568 0.8729 0.8729 5.8694 5.8694 k = 0.5000 0.5000-0.0000 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5899 -14.5899 -14.2907 -14.2907 -14.2792 -14.2792 -14.2649 -14.2649 -12.1494 -12.1494 -12.1491 -12.1491 -4.9303 -4.9303 -4.3499 -4.3499 -4.0167 -4.0167 -3.0026 -3.0026 -2.8932 -2.8932 -2.8923 -2.8923 -2.8898 -2.8898 -2.0353 -2.0353 -1.9048 -1.9048 -1.8862 -1.8862 -1.8710 -1.8710 -1.6436 -1.6436 -1.5835 -1.5835 -1.3214 -1.3214 -1.0253 -1.0253 -0.9547 -0.9547 -0.6725 -0.6725 -0.6304 -0.6304 -0.2772 -0.2772 -0.2632 -0.2632 -0.1474 -0.1474 -0.0561 -0.0561 0.8717 0.8717 5.8713 5.8713 k = 0.5000 0.5000-0.0000 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5899 -14.5899 -14.2907 -14.2907 -14.2792 -14.2792 -14.2649 -14.2649 -12.1494 -12.1494 -12.1491 -12.1491 -4.9303 -4.9303 -4.3499 -4.3499 -4.0167 -4.0167 -3.0026 -3.0026 -2.8932 -2.8932 -2.8923 -2.8923 -2.8898 -2.8898 -2.0353 -2.0353 -1.9048 -1.9048 -1.8862 -1.8862 -1.8710 -1.8710 -1.6436 -1.6436 -1.5835 -1.5835 -1.3214 -1.3214 -1.0253 -1.0253 -0.9547 -0.9547 -0.6725 -0.6725 -0.6304 -0.6304 -0.2772 -0.2772 -0.2632 -0.2632 -0.1474 -0.1474 -0.0561 -0.0561 0.8717 0.8717 5.8713 5.8713 k = 0.4839 0.4839-0.0000 ( 11444 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5902 -14.5902 -14.2908 -14.2908 -14.2793 -14.2793 -14.2643 -14.2643 -12.1494 -12.1494 -12.1491 -12.1491 -4.9298 -4.9298 -4.3506 -4.3506 -4.0167 -4.0167 -3.0026 -3.0026 -2.8943 -2.8943 -2.8932 -2.8932 -2.8895 -2.8895 -2.0362 -2.0362 -1.9095 -1.9095 -1.8855 -1.8855 -1.8652 -1.8652 -1.6433 -1.6433 -1.5830 -1.5830 -1.3212 -1.3212 -1.0248 -1.0248 -0.9542 -0.9542 -0.6719 -0.6719 -0.6299 -0.6299 -0.2776 -0.2776 -0.2635 -0.2635 -0.1479 -0.1479 -0.0568 -0.0568 0.8730 0.8730 5.8694 5.8694 k = 0.4677 0.4677-0.0000 ( 11452 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5912 -14.5912 -14.2909 -14.2909 -14.2797 -14.2797 -14.2627 -14.2627 -12.1498 -12.1498 -12.1490 -12.1490 -4.9284 -4.9284 -4.3529 -4.3529 -4.0169 -4.0169 -3.0024 -3.0024 -2.8973 -2.8973 -2.8959 -2.8959 -2.8890 -2.8890 -2.0389 -2.0389 -1.9181 -1.9181 -1.8857 -1.8857 -1.8512 -1.8512 -1.6426 -1.6426 -1.5812 -1.5812 -1.3205 -1.3205 -1.0231 -1.0231 -0.9525 -0.9525 -0.6703 -0.6703 -0.6285 -0.6285 -0.2786 -0.2786 -0.2644 -0.2644 -0.1496 -0.1496 -0.0589 -0.0589 0.8769 0.8769 5.8635 5.8635 k = 0.4516 0.4516-0.0000 ( 11454 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5929 -14.5929 -14.2910 -14.2910 -14.2799 -14.2799 -14.2602 -14.2602 -12.1504 -12.1504 -12.1486 -12.1486 -4.9261 -4.9261 -4.3567 -4.3567 -4.0173 -4.0173 -3.0020 -3.0020 -2.9021 -2.9021 -2.9002 -2.9002 -2.8883 -2.8883 -2.0432 -2.0432 -1.9265 -1.9265 -1.8867 -1.8867 -1.8332 -1.8332 -1.6413 -1.6413 -1.5784 -1.5784 -1.3194 -1.3194 -1.0203 -1.0203 -0.9498 -0.9498 -0.6679 -0.6679 -0.6257 -0.6257 -0.2805 -0.2805 -0.2657 -0.2657 -0.1524 -0.1524 -0.0624 -0.0624 0.8833 0.8833 5.8535 5.8535 k = 0.4355 0.4355-0.0000 ( 11442 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5952 -14.5952 -14.2911 -14.2911 -14.2800 -14.2800 -14.2572 -14.2572 -12.1512 -12.1512 -12.1482 -12.1482 -4.9228 -4.9228 -4.3619 -4.3619 -4.0178 -4.0178 -3.0016 -3.0016 -2.9088 -2.9088 -2.9058 -2.9058 -2.8876 -2.8876 -2.0488 -2.0488 -1.9337 -1.9337 -1.8882 -1.8882 -1.8125 -1.8125 -1.6396 -1.6396 -1.5747 -1.5747 -1.3178 -1.3178 -1.0165 -1.0165 -0.9460 -0.9460 -0.6653 -0.6653 -0.6212 -0.6212 -0.2835 -0.2835 -0.2671 -0.2671 -0.1565 -0.1565 -0.0671 -0.0671 0.8922 0.8922 5.8392 5.8392 k = 0.4194 0.4194-0.0000 ( 11446 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5981 -14.5981 -14.2912 -14.2912 -14.2799 -14.2799 -14.2538 -14.2538 -12.1523 -12.1523 -12.1476 -12.1476 -4.9186 -4.9186 -4.3685 -4.3685 -4.0185 -4.0185 -3.0010 -3.0010 -2.9174 -2.9174 -2.9128 -2.9128 -2.8868 -2.8868 -2.0557 -2.0557 -1.9396 -1.9396 -1.8897 -1.8897 -1.7898 -1.7898 -1.6374 -1.6374 -1.5703 -1.5703 -1.3158 -1.3158 -1.0119 -1.0119 -0.9411 -0.9411 -0.6630 -0.6630 -0.6145 -0.6145 -0.2878 -0.2878 -0.2685 -0.2685 -0.1619 -0.1619 -0.0728 -0.0728 0.9034 0.9034 5.8203 5.8203 k = 0.4032 0.4032-0.0000 ( 11432 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6015 -14.6015 -14.2911 -14.2911 -14.2794 -14.2794 -14.2500 -14.2500 -12.1536 -12.1536 -12.1469 -12.1469 -4.9136 -4.9136 -4.3765 -4.3765 -4.0192 -4.0192 -3.0002 -3.0002 -2.9275 -2.9275 -2.9211 -2.9211 -2.8859 -2.8859 -2.0636 -2.0636 -1.9442 -1.9442 -1.8912 -1.8912 -1.7654 -1.7654 -1.6347 -1.6347 -1.5654 -1.5654 -1.3134 -1.3134 -1.0064 -1.0064 -0.9351 -0.9351 -0.6615 -0.6615 -0.6053 -0.6053 -0.2935 -0.2935 -0.2696 -0.2696 -0.1689 -0.1689 -0.0793 -0.0793 0.9168 0.9168 5.7965 5.7965 k = 0.3871 0.3871-0.0000 ( 11438 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6055 -14.6055 -14.2909 -14.2909 -14.2788 -14.2788 -14.2461 -14.2461 -12.1551 -12.1551 -12.1461 -12.1461 -4.9077 -4.9077 -4.3856 -4.3856 -4.0201 -4.0201 -2.9994 -2.9994 -2.9391 -2.9391 -2.9307 -2.9307 -2.8848 -2.8848 -2.0725 -2.0725 -1.9474 -1.9474 -1.8922 -1.8922 -1.7395 -1.7395 -1.6315 -1.6315 -1.5601 -1.5601 -1.3105 -1.3105 -1.0004 -1.0004 -0.9281 -0.9281 -0.6607 -0.6607 -0.5936 -0.5936 -0.3004 -0.3004 -0.2706 -0.2706 -0.1776 -0.1776 -0.0864 -0.0864 0.9323 0.9323 5.7678 5.7678 k = 0.3710 0.3710-0.0000 ( 11432 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6098 -14.6098 -14.2904 -14.2904 -14.2779 -14.2779 -14.2421 -14.2421 -12.1568 -12.1568 -12.1451 -12.1451 -4.9011 -4.9011 -4.3959 -4.3959 -4.0210 -4.0210 -2.9985 -2.9985 -2.9519 -2.9519 -2.9415 -2.9415 -2.8835 -2.8835 -2.0823 -2.0823 -1.9492 -1.9492 -1.8925 -1.8925 -1.7125 -1.7125 -1.6279 -1.6279 -1.5547 -1.5547 -1.3073 -1.3073 -0.9937 -0.9937 -0.9202 -0.9202 -0.6605 -0.6605 -0.5798 -0.5798 -0.3086 -0.3086 -0.2715 -0.2715 -0.1882 -0.1882 -0.0938 -0.0938 0.9495 0.9495 5.7340 5.7340 k = 0.3548 0.3548-0.0000 ( 11430 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6145 -14.6145 -14.2898 -14.2898 -14.2769 -14.2769 -14.2380 -14.2380 -12.1587 -12.1587 -12.1441 -12.1441 -4.8938 -4.8938 -4.4071 -4.4071 -4.0220 -4.0220 -2.9975 -2.9975 -2.9657 -2.9657 -2.9534 -2.9534 -2.8822 -2.8822 -2.0929 -2.0929 -1.9498 -1.9498 -1.8920 -1.8920 -1.6845 -1.6845 -1.6235 -1.6235 -1.5493 -1.5493 -1.3038 -1.3038 -0.9866 -0.9866 -0.9114 -0.9114 -0.6609 -0.6609 -0.5641 -0.5641 -0.3179 -0.3179 -0.2722 -0.2722 -0.2007 -0.2007 -0.1014 -0.1014 0.9683 0.9683 5.6952 5.6952 k = 0.3387 0.3387-0.0000 ( 11432 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6195 -14.6195 -14.2889 -14.2889 -14.2757 -14.2757 -14.2338 -14.2338 -12.1607 -12.1607 -12.1430 -12.1430 -4.8858 -4.8858 -4.4193 -4.4193 -4.0230 -4.0230 -2.9966 -2.9966 -2.9803 -2.9803 -2.9662 -2.9662 -2.8807 -2.8807 -2.1043 -2.1043 -1.9490 -1.9490 -1.8905 -1.8905 -1.6565 -1.6565 -1.6180 -1.6180 -1.5441 -1.5441 -1.3000 -1.3000 -0.9791 -0.9791 -0.9018 -0.9018 -0.6617 -0.6617 -0.5467 -0.5467 -0.3282 -0.3282 -0.2729 -0.2729 -0.2153 -0.2153 -0.1088 -0.1088 0.9885 0.9885 5.6518 5.6518 k = 0.3226 0.3226-0.0000 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6247 -14.6247 -14.2878 -14.2878 -14.2743 -14.2743 -14.2298 -14.2298 -12.1629 -12.1629 -12.1418 -12.1418 -4.8773 -4.8773 -4.4321 -4.4321 -4.0241 -4.0241 -2.9980 -2.9980 -2.9937 -2.9937 -2.9794 -2.9794 -2.8791 -2.8791 -2.1164 -2.1164 -1.9471 -1.9471 -1.8879 -1.8879 -1.6316 -1.6316 -1.6083 -1.6083 -1.5393 -1.5393 -1.2959 -1.2959 -0.9712 -0.9712 -0.8916 -0.8916 -0.6627 -0.6627 -0.5281 -0.5281 -0.3395 -0.3395 -0.2735 -0.2735 -0.2318 -0.2318 -0.1162 -0.1162 1.0097 1.0097 5.6042 5.6042 k = 0.3065 0.3065-0.0000 ( 11430 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6301 -14.6301 -14.2865 -14.2865 -14.2729 -14.2729 -14.2258 -14.2258 -12.1651 -12.1651 -12.1405 -12.1405 -4.8683 -4.8683 -4.4456 -4.4456 -4.0251 -4.0251 -3.0122 -3.0122 -2.9984 -2.9984 -2.9894 -2.9894 -2.8773 -2.8773 -2.1290 -2.1290 -1.9440 -1.9440 -1.8841 -1.8841 -1.6179 -1.6179 -1.5865 -1.5865 -1.5348 -1.5348 -1.2915 -1.2915 -0.9629 -0.9629 -0.8809 -0.8809 -0.6639 -0.6639 -0.5083 -0.5083 -0.3517 -0.3517 -0.2741 -0.2741 -0.2501 -0.2501 -0.1234 -0.1234 1.0318 1.0318 5.5530 5.5530 k = 0.2903 0.2903-0.0000 ( 11410 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6356 -14.6356 -14.2850 -14.2850 -14.2714 -14.2714 -14.2219 -14.2219 -12.1675 -12.1675 -12.1392 -12.1392 -4.8588 -4.8588 -4.4595 -4.4595 -4.0262 -4.0262 -3.0283 -3.0283 -3.0112 -3.0112 -2.9902 -2.9902 -2.8754 -2.8754 -2.1420 -2.1420 -1.9400 -1.9400 -1.8791 -1.8791 -1.6109 -1.6109 -1.5574 -1.5574 -1.5309 -1.5309 -1.2869 -1.2869 -0.9543 -0.9543 -0.8699 -0.8699 -0.6652 -0.6652 -0.4878 -0.4878 -0.3647 -0.3647 -0.2750 -0.2750 -0.2696 -0.2696 -0.1304 -0.1304 1.0545 1.0545 5.4990 5.4990 k = 0.2742 0.2742-0.0000 ( 11414 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6411 -14.6411 -14.2833 -14.2833 -14.2698 -14.2698 -14.2182 -14.2182 -12.1699 -12.1699 -12.1379 -12.1379 -4.8490 -4.8490 -4.4737 -4.4737 -4.0272 -4.0272 -3.0446 -3.0446 -3.0263 -3.0263 -2.9891 -2.9891 -2.8735 -2.8735 -2.1554 -2.1554 -1.9350 -1.9350 -1.8730 -1.8730 -1.6052 -1.6052 -1.5286 -1.5286 -1.5253 -1.5253 -1.2821 -1.2821 -0.9453 -0.9453 -0.8587 -0.8587 -0.6667 -0.6667 -0.4668 -0.4668 -0.3785 -0.3785 -0.2921 -0.2921 -0.2744 -0.2744 -0.1372 -0.1372 1.0775 1.0775 5.4429 5.4429 k = 0.2581 0.2581-0.0000 ( 11418 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6466 -14.6466 -14.2815 -14.2815 -14.2681 -14.2681 -14.2147 -14.2147 -12.1724 -12.1724 -12.1365 -12.1365 -4.8391 -4.8391 -4.4881 -4.4881 -4.0282 -4.0282 -3.0609 -3.0609 -3.0419 -3.0419 -2.9876 -2.9876 -2.8714 -2.8714 -2.1689 -2.1689 -1.9292 -1.9292 -1.8658 -1.8658 -1.5999 -1.5999 -1.5251 -1.5251 -1.4943 -1.4943 -1.2772 -1.2772 -0.9360 -0.9360 -0.8475 -0.8475 -0.6681 -0.6681 -0.4456 -0.4456 -0.3929 -0.3929 -0.3150 -0.3150 -0.2746 -0.2746 -0.1439 -0.1439 1.1005 1.1005 5.3856 5.3856 k = 0.2419 0.2419-0.0000 ( 11412 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6521 -14.6521 -14.2797 -14.2797 -14.2664 -14.2664 -14.2114 -14.2114 -12.1749 -12.1749 -12.1351 -12.1351 -4.8289 -4.8289 -4.5024 -4.5024 -4.0291 -4.0291 -3.0770 -3.0770 -3.0576 -3.0576 -2.9860 -2.9860 -2.8694 -2.8694 -2.1824 -2.1824 -1.9227 -1.9227 -1.8578 -1.8578 -1.5947 -1.5947 -1.5232 -1.5232 -1.4623 -1.4623 -1.2720 -1.2720 -0.9264 -0.9264 -0.8363 -0.8363 -0.6696 -0.6696 -0.4258 -0.4258 -0.4064 -0.4064 -0.3389 -0.3389 -0.2746 -0.2746 -0.1505 -0.1505 1.1234 1.1234 5.3279 5.3279 k = 0.2258 0.2258-0.0000 ( 11408 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6574 -14.6574 -14.2777 -14.2777 -14.2647 -14.2647 -14.2083 -14.2083 -12.1773 -12.1773 -12.1338 -12.1338 -4.8187 -4.8187 -4.5166 -4.5166 -4.0299 -4.0299 -3.0929 -3.0929 -3.0732 -3.0732 -2.9843 -2.9843 -2.8673 -2.8673 -2.1958 -2.1958 -1.9156 -1.9156 -1.8490 -1.8490 -1.5897 -1.5897 -1.5220 -1.5220 -1.4302 -1.4302 -1.2668 -1.2668 -0.9165 -0.9165 -0.8253 -0.8253 -0.6711 -0.6711 -0.4272 -0.4272 -0.3998 -0.3998 -0.3636 -0.3636 -0.2745 -0.2745 -0.1570 -0.1570 1.1457 1.1457 5.2705 5.2705 k = 0.2097 0.2097-0.0000 ( 11415 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6625 -14.6625 -14.2757 -14.2757 -14.2630 -14.2630 -14.2054 -14.2054 -12.1798 -12.1798 -12.1324 -12.1324 -4.8086 -4.8086 -4.5306 -4.5306 -4.0307 -4.0307 -3.1083 -3.1083 -3.0885 -3.0885 -2.9826 -2.9826 -2.8651 -2.8651 -2.2089 -2.2089 -1.9079 -1.9079 -1.8397 -1.8397 -1.5847 -1.5847 -1.5215 -1.5215 -1.3983 -1.3983 -1.2614 -1.2614 -0.9062 -0.9062 -0.8146 -0.8146 -0.6725 -0.6725 -0.4430 -0.4430 -0.3895 -0.3895 -0.3791 -0.3791 -0.2741 -0.2741 -0.1633 -0.1633 1.1674 1.1674 5.2142 5.2142 k = 0.1935 0.1935-0.0000 ( 11433 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6675 -14.6675 -14.2737 -14.2737 -14.2612 -14.2612 -14.2027 -14.2027 -12.1821 -12.1821 -12.1311 -12.1311 -4.7987 -4.7987 -4.5441 -4.5441 -4.0314 -4.0314 -3.1232 -3.1232 -3.1034 -3.1034 -2.9809 -2.9809 -2.8630 -2.8630 -2.2216 -2.2216 -1.8999 -1.8999 -1.8300 -1.8300 -1.5799 -1.5799 -1.5218 -1.5218 -1.3669 -1.3669 -1.2557 -1.2557 -0.8958 -0.8958 -0.8042 -0.8042 -0.6738 -0.6738 -0.4606 -0.4606 -0.4145 -0.4145 -0.3592 -0.3592 -0.2735 -0.2735 -0.1694 -0.1694 1.1882 1.1882 5.1597 5.1597 k = 0.1774 0.1774-0.0000 ( 11423 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6721 -14.6721 -14.2718 -14.2718 -14.2595 -14.2595 -14.2004 -14.2004 -12.1844 -12.1844 -12.1298 -12.1298 -4.7891 -4.7891 -4.5570 -4.5570 -4.0320 -4.0320 -3.1374 -3.1374 -3.1177 -3.1177 -2.9792 -2.9792 -2.8609 -2.8609 -2.2338 -2.2338 -1.8915 -1.8915 -1.8200 -1.8200 -1.5753 -1.5753 -1.5228 -1.5228 -1.3363 -1.3363 -1.2496 -1.2496 -0.8851 -0.8851 -0.7942 -0.7942 -0.6751 -0.6751 -0.4794 -0.4794 -0.4394 -0.4394 -0.3398 -0.3398 -0.2727 -0.2727 -0.1753 -0.1753 1.2079 1.2079 5.1074 5.1074 k = 0.1613 0.1613-0.0000 ( 11437 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6765 -14.6765 -14.2699 -14.2699 -14.2579 -14.2579 -14.1982 -14.1982 -12.1866 -12.1866 -12.1286 -12.1286 -4.7798 -4.7798 -4.5692 -4.5692 -4.0325 -4.0325 -3.1508 -3.1508 -3.1312 -3.1312 -2.9775 -2.9775 -2.8588 -2.8588 -2.2454 -2.2454 -1.8830 -1.8830 -1.8101 -1.8101 -1.5709 -1.5709 -1.5244 -1.5244 -1.3074 -1.3074 -1.2424 -1.2424 -0.8743 -0.8743 -0.7846 -0.7846 -0.6763 -0.6763 -0.4997 -0.4997 -0.4632 -0.4632 -0.3217 -0.3217 -0.2713 -0.2713 -0.1810 -0.1810 1.2264 1.2264 5.0580 5.0580 k = 0.1452 0.1452-0.0000 ( 11437 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6806 -14.6806 -14.2681 -14.2681 -14.2562 -14.2562 -14.1963 -14.1963 -12.1887 -12.1887 -12.1274 -12.1274 -4.7711 -4.7711 -4.5807 -4.5807 -4.0329 -4.0329 -3.1634 -3.1634 -3.1438 -3.1438 -2.9759 -2.9759 -2.8569 -2.8569 -2.2563 -2.2563 -1.8746 -1.8746 -1.8002 -1.8002 -1.5668 -1.5668 -1.5266 -1.5266 -1.2818 -1.2818 -1.2328 -1.2328 -0.8635 -0.8635 -0.7755 -0.7755 -0.6773 -0.6773 -0.5218 -0.5218 -0.4853 -0.4853 -0.3054 -0.3054 -0.2691 -0.2691 -0.1863 -0.1863 1.2434 1.2434 5.0119 5.0119 k = 0.1290 0.1290-0.0000 ( 11439 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6843 -14.6843 -14.2664 -14.2664 -14.2547 -14.2547 -14.1947 -14.1947 -12.1906 -12.1906 -12.1264 -12.1264 -4.7630 -4.7630 -4.5912 -4.5912 -4.0333 -4.0333 -3.1750 -3.1750 -3.1554 -3.1554 -2.9744 -2.9744 -2.8550 -2.8550 -2.2663 -2.2663 -1.8664 -1.8664 -1.7907 -1.7907 -1.5630 -1.5630 -1.5293 -1.5293 -1.2625 -1.2625 -1.2181 -1.2181 -0.8528 -0.8528 -0.7667 -0.7667 -0.6783 -0.6783 -0.5452 -0.5452 -0.5056 -0.5056 -0.2924 -0.2924 -0.2649 -0.2649 -0.1912 -0.1912 1.2590 1.2590 4.9696 4.9696 k = 0.1129 0.1129-0.0000 ( 11447 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6877 -14.6877 -14.2649 -14.2649 -14.2533 -14.2533 -14.1933 -14.1933 -12.1923 -12.1923 -12.1254 -12.1254 -4.7556 -4.7556 -4.6007 -4.6007 -4.0336 -4.0336 -3.1855 -3.1855 -3.1658 -3.1658 -2.9731 -2.9731 -2.8532 -2.8532 -2.2754 -2.2754 -1.8585 -1.8585 -1.7816 -1.7816 -1.5596 -1.5596 -1.5323 -1.5323 -1.2508 -1.2508 -1.1973 -1.1973 -0.8424 -0.8424 -0.7583 -0.7583 -0.6793 -0.6793 -0.5693 -0.5693 -0.5242 -0.5242 -0.2840 -0.2840 -0.2576 -0.2576 -0.1957 -0.1957 1.2729 1.2729 4.9315 4.9315 k = 0.0968 0.0968-0.0000 ( 11447 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6906 -14.6906 -14.2636 -14.2636 -14.2520 -14.2520 -14.1921 -14.1921 -12.1938 -12.1938 -12.1245 -12.1245 -4.7489 -4.7489 -4.6092 -4.6092 -4.0338 -4.0338 -3.1949 -3.1949 -3.1750 -3.1750 -2.9718 -2.9718 -2.8517 -2.8517 -2.2834 -2.2834 -1.8512 -1.8512 -1.7732 -1.7732 -1.5565 -1.5565 -1.5355 -1.5355 -1.2437 -1.2437 -1.1738 -1.1738 -0.8326 -0.8326 -0.7501 -0.7501 -0.6801 -0.6801 -0.5932 -0.5932 -0.5414 -0.5414 -0.2796 -0.2796 -0.2480 -0.2480 -0.1997 -0.1997 1.2851 1.2851 4.8978 4.8978 k = 0.0806 0.0806-0.0000 ( 11453 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6932 -14.6932 -14.2624 -14.2624 -14.2508 -14.2508 -14.1911 -14.1911 -12.1952 -12.1952 -12.1238 -12.1238 -4.7431 -4.7431 -4.6164 -4.6164 -4.0340 -4.0340 -3.2030 -3.2030 -3.1829 -3.1829 -2.9707 -2.9707 -2.8503 -2.8503 -2.2904 -2.2904 -1.8446 -1.8446 -1.7657 -1.7657 -1.5539 -1.5539 -1.5388 -1.5388 -1.2388 -1.2388 -1.1506 -1.1506 -0.8235 -0.8235 -0.7423 -0.7423 -0.6809 -0.6809 -0.6159 -0.6159 -0.5573 -0.5573 -0.2773 -0.2773 -0.2382 -0.2382 -0.2031 -0.2031 1.2955 1.2955 4.8688 4.8688 k = 0.0645 0.0645-0.0000 ( 11455 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6952 -14.6952 -14.2614 -14.2614 -14.2498 -14.2498 -14.1903 -14.1903 -12.1963 -12.1963 -12.1232 -12.1232 -4.7383 -4.7383 -4.6224 -4.6224 -4.0341 -4.0341 -3.2098 -3.2098 -3.1894 -3.1894 -2.9698 -2.9698 -2.8491 -2.8491 -2.2962 -2.2962 -1.8390 -1.8390 -1.7591 -1.7591 -1.5517 -1.5517 -1.5419 -1.5419 -1.2353 -1.2353 -1.1293 -1.1293 -0.8155 -0.8155 -0.7348 -0.7348 -0.6817 -0.6817 -0.6366 -0.6366 -0.5717 -0.5717 -0.2760 -0.2760 -0.2296 -0.2296 -0.2058 -0.2058 1.3041 1.3041 4.8448 4.8448 k = 0.0484 0.0484-0.0000 ( 11459 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6969 -14.6969 -14.2607 -14.2607 -14.2490 -14.2490 -14.1897 -14.1897 -12.1972 -12.1972 -12.1227 -12.1227 -4.7345 -4.7345 -4.6272 -4.6272 -4.0342 -4.0342 -3.2151 -3.2151 -3.1945 -3.1945 -2.9691 -2.9691 -2.8482 -2.8482 -2.3008 -2.3008 -1.8344 -1.8344 -1.7537 -1.7537 -1.5500 -1.5500 -1.5445 -1.5445 -1.2327 -1.2327 -1.1110 -1.1110 -0.8088 -0.8088 -0.7279 -0.7279 -0.6827 -0.6827 -0.6542 -0.6542 -0.5842 -0.5842 -0.2751 -0.2751 -0.2230 -0.2230 -0.2075 -0.2075 1.3109 1.3109 4.8259 4.8259 k = 0.0323 0.0323-0.0000 ( 11485 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6981 -14.6981 -14.2601 -14.2601 -14.2484 -14.2484 -14.1893 -14.1893 -12.1978 -12.1978 -12.1223 -12.1223 -4.7317 -4.7317 -4.6306 -4.6306 -4.0343 -4.0343 -3.2190 -3.2190 -3.1982 -3.1982 -2.9685 -2.9685 -2.8475 -2.8475 -2.3041 -2.3041 -1.8311 -1.8311 -1.7497 -1.7497 -1.5488 -1.5488 -1.5466 -1.5466 -1.2309 -1.2309 -1.0968 -1.0968 -0.8039 -0.8039 -0.7219 -0.7219 -0.6843 -0.6843 -0.6672 -0.6672 -0.5941 -0.5941 -0.2745 -0.2745 -0.2190 -0.2190 -0.2081 -0.2081 1.3157 1.3157 4.8124 4.8124 k = 0.0161 0.0161-0.0000 ( 11501 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6988 -14.6988 -14.2598 -14.2598 -14.2481 -14.2481 -14.1891 -14.1891 -12.1982 -12.1982 -12.1221 -12.1221 -4.7301 -4.7301 -4.6326 -4.6326 -4.0343 -4.0343 -3.2213 -3.2213 -3.2004 -3.2004 -2.9682 -2.9682 -2.8471 -2.8471 -2.3061 -2.3061 -1.8290 -1.8290 -1.7473 -1.7473 -1.5484 -1.5484 -1.5476 -1.5476 -1.2299 -1.2299 -1.0878 -1.0878 -0.8008 -0.8008 -0.7177 -0.7177 -0.6867 -0.6867 -0.6743 -0.6743 -0.6006 -0.6006 -0.2742 -0.2742 -0.2172 -0.2172 -0.2076 -0.2076 1.3185 1.3185 4.8042 4.8042 k = 0.0000 0.0000 0.0000 ( 11511 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6990 -14.6990 -14.2597 -14.2597 -14.2479 -14.2479 -14.1890 -14.1890 -12.1983 -12.1983 -12.1220 -12.1220 -4.7295 -4.7295 -4.6333 -4.6333 -4.0343 -4.0343 -3.2221 -3.2221 -3.2012 -3.2012 -2.9681 -2.9681 -2.8470 -2.8470 -2.3067 -2.3067 -1.8283 -1.8283 -1.7464 -1.7464 -1.5487 -1.5487 -1.5475 -1.5475 -1.2295 -1.2295 -1.0847 -1.0847 -0.7997 -0.7997 -0.7161 -0.7161 -0.6882 -0.6882 -0.6762 -0.6762 -0.6029 -0.6029 -0.2741 -0.2741 -0.2168 -0.2168 -0.2072 -0.2072 1.3195 1.3195 4.8014 4.8014 k = 0.0000 0.0000 0.0000 ( 11511 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6990 -14.6990 -14.2597 -14.2597 -14.2479 -14.2479 -14.1890 -14.1890 -12.1983 -12.1983 -12.1220 -12.1220 -4.7295 -4.7295 -4.6333 -4.6333 -4.0343 -4.0343 -3.2221 -3.2221 -3.2012 -3.2012 -2.9681 -2.9681 -2.8470 -2.8470 -2.3067 -2.3067 -1.8283 -1.8283 -1.7464 -1.7464 -1.5487 -1.5487 -1.5475 -1.5475 -1.2295 -1.2295 -1.0847 -1.0847 -0.7997 -0.7997 -0.7161 -0.7161 -0.6882 -0.6882 -0.6762 -0.6762 -0.6029 -0.6029 -0.2741 -0.2741 -0.2168 -0.2168 -0.2072 -0.2072 1.3195 1.3195 4.8014 4.8014 k = 0.0000 0.0000 0.0229 ( 11495 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6989 -14.6989 -14.2596 -14.2596 -14.2479 -14.2479 -14.1889 -14.1889 -12.1982 -12.1982 -12.1221 -12.1221 -4.7295 -4.7295 -4.6332 -4.6332 -4.0346 -4.0346 -3.2219 -3.2219 -3.2009 -3.2009 -2.9688 -2.9688 -2.8478 -2.8478 -2.3074 -2.3074 -1.8280 -1.8280 -1.7461 -1.7461 -1.5483 -1.5483 -1.5479 -1.5479 -1.2315 -1.2315 -1.0847 -1.0847 -0.8058 -0.8058 -0.7328 -0.7328 -0.6714 -0.6714 -0.6698 -0.6698 -0.6005 -0.6005 -0.2752 -0.2752 -0.2176 -0.2176 -0.2079 -0.2079 1.3195 1.3195 4.8030 4.8030 k = 0.0000 0.0000 0.0457 ( 11495 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6985 -14.6985 -14.2594 -14.2594 -14.2477 -14.2477 -14.1888 -14.1888 -12.1980 -12.1980 -12.1224 -12.1224 -4.7294 -4.7294 -4.6330 -4.6330 -4.0354 -4.0354 -3.2211 -3.2211 -3.2001 -3.2001 -2.9709 -2.9709 -2.8502 -2.8502 -2.3096 -2.3096 -1.8271 -1.8271 -1.7452 -1.7452 -1.5506 -1.5506 -1.5454 -1.5454 -1.2372 -1.2372 -1.0846 -1.0846 -0.8214 -0.8214 -0.7583 -0.7583 -0.6535 -0.6535 -0.6456 -0.6456 -0.5936 -0.5936 -0.2783 -0.2783 -0.2197 -0.2197 -0.2099 -0.2099 1.3196 1.3196 4.8076 4.8076 k = 0.0000 0.0000 0.0686 ( 11471 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6978 -14.6978 -14.2591 -14.2591 -14.2473 -14.2473 -14.1885 -14.1885 -12.1976 -12.1976 -12.1228 -12.1228 -4.7293 -4.7293 -4.6326 -4.6326 -4.0367 -4.0367 -3.2197 -3.2197 -3.1989 -3.1989 -2.9743 -2.9743 -2.8543 -2.8543 -2.3131 -2.3131 -1.8255 -1.8255 -1.7435 -1.7435 -1.5544 -1.5544 -1.5414 -1.5414 -1.2464 -1.2464 -1.0844 -1.0844 -0.8418 -0.8418 -0.7845 -0.7845 -0.6317 -0.6317 -0.6192 -0.6192 -0.5822 -0.5822 -0.2835 -0.2835 -0.2232 -0.2232 -0.2132 -0.2132 1.3198 1.3198 4.8153 4.8153 k = 0.0000 0.0000 0.0915 ( 11471 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6969 -14.6969 -14.2586 -14.2586 -14.2468 -14.2468 -14.1881 -14.1881 -12.1971 -12.1971 -12.1234 -12.1234 -4.7291 -4.7291 -4.6321 -4.6321 -4.0386 -4.0386 -3.2179 -3.2179 -3.1971 -3.1971 -2.9791 -2.9791 -2.8599 -2.8599 -2.3179 -2.3179 -1.8233 -1.8233 -1.7413 -1.7413 -1.5596 -1.5596 -1.5359 -1.5359 -1.2587 -1.2587 -1.0842 -1.0842 -0.8645 -0.8645 -0.8106 -0.8106 -0.6072 -0.6072 -0.5933 -0.5933 -0.5663 -0.5663 -0.2907 -0.2907 -0.2281 -0.2281 -0.2178 -0.2178 1.3201 1.3201 4.8260 4.8260 k = 0.0000 0.0000 0.1144 ( 11487 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6957 -14.6957 -14.2580 -14.2580 -14.2462 -14.2462 -14.1876 -14.1876 -12.1964 -12.1964 -12.1242 -12.1242 -4.7289 -4.7289 -4.6314 -4.6314 -4.0410 -4.0410 -3.2155 -3.2155 -3.1948 -3.1948 -2.9853 -2.9853 -2.8671 -2.8671 -2.3240 -2.3240 -1.8205 -1.8205 -1.7384 -1.7384 -1.5663 -1.5663 -1.5290 -1.5290 -1.2737 -1.2737 -1.0839 -1.0839 -0.8880 -0.8880 -0.8365 -0.8365 -0.5814 -0.5814 -0.5686 -0.5686 -0.5462 -0.5462 -0.2998 -0.2998 -0.2343 -0.2343 -0.2236 -0.2236 1.3204 1.3204 4.8396 4.8396 k = 0.0000 0.0000 0.1372 ( 11499 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6943 -14.6943 -14.2572 -14.2572 -14.2455 -14.2455 -14.1871 -14.1871 -12.1956 -12.1956 -12.1251 -12.1251 -4.7287 -4.7287 -4.6305 -4.6305 -4.0438 -4.0438 -3.2126 -3.2126 -3.1921 -3.1921 -2.9926 -2.9926 -2.8757 -2.8757 -2.3312 -2.3312 -1.8170 -1.8170 -1.7349 -1.7349 -1.5744 -1.5744 -1.5208 -1.5208 -1.2909 -1.2909 -1.0836 -1.0836 -0.9114 -0.9114 -0.8618 -0.8618 -0.5549 -0.5549 -0.5448 -0.5448 -0.5225 -0.5225 -0.3109 -0.3109 -0.2418 -0.2418 -0.2307 -0.2307 1.3207 1.3207 4.8559 4.8559 k = 0.0000 0.0000 0.1601 ( 11483 PWs) bands (ev): -84.5289 -84.5289 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6926 -14.6926 -14.2564 -14.2564 -14.2446 -14.2446 -14.1864 -14.1864 -12.1947 -12.1947 -12.1262 -12.1262 -4.7284 -4.7284 -4.6296 -4.6296 -4.0471 -4.0471 -3.2093 -3.2093 -3.1890 -3.1890 -3.0012 -3.0012 -2.8858 -2.8858 -2.3395 -2.3395 -1.8130 -1.8130 -1.7308 -1.7308 -1.5838 -1.5838 -1.5114 -1.5114 -1.3097 -1.3097 -1.0834 -1.0834 -0.9343 -0.9343 -0.8866 -0.8866 -0.5283 -0.5283 -0.5211 -0.5211 -0.4967 -0.4967 -0.3238 -0.3238 -0.2505 -0.2505 -0.2391 -0.2391 1.3212 1.3212 4.8749 4.8749 k = 0.0000 0.0000 0.1830 ( 11459 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6907 -14.6907 -14.2554 -14.2554 -14.2436 -14.2436 -14.1856 -14.1856 -12.1937 -12.1937 -12.1274 -12.1274 -4.7280 -4.7280 -4.6285 -4.6285 -4.0509 -4.0509 -3.2055 -3.2055 -3.1854 -3.1854 -3.0108 -3.0108 -2.8971 -2.8971 -2.3488 -2.3488 -1.8083 -1.8083 -1.7261 -1.7261 -1.5944 -1.5944 -1.5010 -1.5010 -1.3298 -1.3298 -1.0833 -1.0833 -0.9564 -0.9564 -0.9108 -0.9108 -0.5017 -0.5017 -0.4969 -0.4969 -0.4700 -0.4700 -0.3383 -0.3383 -0.2603 -0.2603 -0.2485 -0.2485 1.3218 1.3218 4.8963 4.8963 k = 0.0000 0.0000 0.2058 ( 11451 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6886 -14.6886 -14.2543 -14.2543 -14.2425 -14.2425 -14.1848 -14.1848 -12.1925 -12.1925 -12.1288 -12.1288 -4.7276 -4.7276 -4.6273 -4.6273 -4.0551 -4.0551 -3.2013 -3.2013 -3.1815 -3.1815 -3.0215 -3.0215 -2.9096 -2.9096 -2.3589 -2.3589 -1.8031 -1.8031 -1.7208 -1.7208 -1.6061 -1.6061 -1.4897 -1.4897 -1.3508 -1.3508 -1.0834 -1.0834 -0.9774 -0.9774 -0.9343 -0.9343 -0.4754 -0.4754 -0.4723 -0.4723 -0.4428 -0.4428 -0.3544 -0.3544 -0.2712 -0.2712 -0.2591 -0.2591 1.3223 1.3223 4.9200 4.9200 k = 0.0000 0.0000 0.2287 ( 11447 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6863 -14.6863 -14.2531 -14.2531 -14.2413 -14.2413 -14.1838 -14.1838 -12.1912 -12.1912 -12.1303 -12.1303 -4.7271 -4.7271 -4.6260 -4.6260 -4.0598 -4.0598 -3.1967 -3.1967 -3.1773 -3.1773 -3.0331 -3.0331 -2.9233 -2.9233 -2.3696 -2.3696 -1.7973 -1.7973 -1.7149 -1.7149 -1.6188 -1.6188 -1.4779 -1.4779 -1.3724 -1.3724 -1.0839 -1.0839 -0.9967 -0.9967 -0.9572 -0.9572 -0.4496 -0.4496 -0.4473 -0.4473 -0.4154 -0.4154 -0.3719 -0.3719 -0.2832 -0.2832 -0.2707 -0.2707 1.3229 1.3229 4.9458 4.9458 k = 0.0000 0.0000 0.2516 ( 11455 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6838 -14.6838 -14.2518 -14.2518 -14.2401 -14.2401 -14.1828 -14.1828 -12.1898 -12.1898 -12.1319 -12.1319 -4.7267 -4.7267 -4.6245 -4.6245 -4.0648 -4.0648 -3.1917 -3.1917 -3.1730 -3.1730 -3.0454 -3.0454 -2.9379 -2.9379 -2.3810 -2.3810 -1.7909 -1.7909 -1.7085 -1.7085 -1.6324 -1.6324 -1.4657 -1.4657 -1.3943 -1.3943 -1.0851 -1.0851 -1.0139 -1.0139 -0.9793 -0.9793 -0.4249 -0.4249 -0.4223 -0.4223 -0.3900 -0.3900 -0.3879 -0.3879 -0.2960 -0.2960 -0.2833 -0.2833 1.3236 1.3236 4.9733 4.9733 k = 0.0000 0.0000 0.2745 ( 11444 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.6811 -14.6811 -14.2505 -14.2505 -14.2387 -14.2387 -14.1818 -14.1818 -12.1884 -12.1884 -12.1336 -12.1336 -4.7262 -4.7262 -4.6230 -4.6230 -4.0701 -4.0701 -3.1864 -3.1864 -3.1685 -3.1685 -3.0582 -3.0582 -2.9533 -2.9533 -2.3929 -2.3929 -1.7840 -1.7840 -1.7017 -1.7017 -1.6468 -1.6468 -1.4534 -1.4534 -1.4163 -1.4163 -1.0876 -1.0876 -1.0284 -1.0284 -1.0006 -1.0006 -0.4141 -0.4141 -0.3976 -0.3976 -0.3961 -0.3961 -0.3604 -0.3604 -0.3096 -0.3096 -0.2967 -0.2967 1.3243 1.3243 5.0024 5.0024 k = 0.0000 0.0000 0.2973 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.6783 -14.6783 -14.2490 -14.2490 -14.2373 -14.2373 -14.1806 -14.1806 -12.1868 -12.1868 -12.1355 -12.1355 -4.7256 -4.7256 -4.6214 -4.6214 -4.0758 -4.0758 -3.1809 -3.1809 -3.1642 -3.1642 -3.0713 -3.0713 -2.9695 -2.9695 -2.4051 -2.4051 -1.7766 -1.7766 -1.6946 -1.6946 -1.6616 -1.6616 -1.4412 -1.4412 -1.4382 -1.4382 -1.0917 -1.0917 -1.0394 -1.0394 -1.0212 -1.0212 -0.4330 -0.4330 -0.3749 -0.3749 -0.3736 -0.3736 -0.3333 -0.3333 -0.3233 -0.3233 -0.3102 -0.3102 1.3250 1.3250 5.0327 5.0327 k = 0.0000 0.0000 0.3202 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.6754 -14.6754 -14.2475 -14.2475 -14.2357 -14.2357 -14.1795 -14.1795 -12.1852 -12.1852 -12.1374 -12.1374 -4.7251 -4.7251 -4.6197 -4.6197 -4.0817 -4.0817 -3.1752 -3.1752 -3.1605 -3.1605 -3.0842 -3.0842 -2.9862 -2.9862 -2.4176 -2.4176 -1.7687 -1.7687 -1.6888 -1.6888 -1.6752 -1.6752 -1.4598 -1.4598 -1.4294 -1.4294 -1.0975 -1.0975 -1.0468 -1.0468 -1.0410 -1.0410 -0.4543 -0.4543 -0.3574 -0.3574 -0.3524 -0.3524 -0.3330 -0.3330 -0.3242 -0.3242 -0.3045 -0.3045 1.3258 1.3258 5.0638 5.0638 k = 0.0000 0.0000 0.3431 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.6723 -14.6723 -14.2460 -14.2460 -14.2342 -14.2342 -14.1782 -14.1782 -12.1835 -12.1835 -12.1394 -12.1394 -4.7246 -4.7246 -4.6180 -4.6180 -4.0878 -4.0878 -3.1693 -3.1693 -3.1580 -3.1580 -3.0960 -3.0960 -3.0033 -3.0033 -2.4302 -2.4302 -1.7603 -1.7603 -1.6965 -1.6965 -1.6754 -1.6754 -1.4810 -1.4810 -1.4186 -1.4186 -1.1041 -1.1041 -1.0600 -1.0600 -1.0509 -1.0509 -0.4765 -0.4765 -0.3620 -0.3620 -0.3493 -0.3493 -0.3218 -0.3218 -0.3198 -0.3198 -0.2777 -0.2777 1.3266 1.3266 5.0954 5.0954 k = 0.0000 0.0000 0.3659 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.6692 -14.6692 -14.2444 -14.2444 -14.2326 -14.2326 -14.1770 -14.1770 -12.1818 -12.1818 -12.1415 -12.1415 -4.7240 -4.7240 -4.6162 -4.6162 -4.0941 -4.0941 -3.1634 -3.1634 -3.1584 -3.1584 -3.1052 -3.1052 -3.0206 -3.0206 -2.4429 -2.4429 -1.7514 -1.7514 -1.7121 -1.7121 -1.6675 -1.6675 -1.5017 -1.5017 -1.4089 -1.4089 -1.1104 -1.1104 -1.0781 -1.0781 -1.0528 -1.0528 -0.4992 -0.4992 -0.3772 -0.3772 -0.3634 -0.3634 -0.3015 -0.3015 -0.2999 -0.2999 -0.2508 -0.2508 1.3274 1.3274 5.1270 5.1270 k = 0.0000 0.0000 0.3888 ( 11452 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.6660 -14.6660 -14.2427 -14.2427 -14.2310 -14.2310 -14.1757 -14.1757 -12.1800 -12.1800 -12.1436 -12.1436 -4.7234 -4.7234 -4.6144 -4.6144 -4.1006 -4.1006 -3.1632 -3.1632 -3.1577 -3.1577 -3.1101 -3.1101 -3.0379 -3.0379 -2.4556 -2.4556 -1.7422 -1.7422 -1.7287 -1.7287 -1.6585 -1.6585 -1.5217 -1.5217 -1.4009 -1.4009 -1.1152 -1.1152 -1.0955 -1.0955 -1.0534 -1.0534 -0.5221 -0.5221 -0.3942 -0.3942 -0.3802 -0.3802 -0.2807 -0.2807 -0.2790 -0.2790 -0.2242 -0.2242 1.3282 1.3282 5.1581 5.1581 k = 0.0000 0.0000 0.4117 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5126 -48.5126 -14.6627 -14.6627 -14.2411 -14.2411 -14.2293 -14.2293 -14.1744 -14.1744 -12.1783 -12.1783 -12.1458 -12.1458 -4.7228 -4.7228 -4.6126 -4.6126 -4.1071 -4.1071 -3.1727 -3.1727 -3.1523 -3.1523 -3.1104 -3.1104 -3.0547 -3.0547 -2.4681 -2.4681 -1.7455 -1.7455 -1.7326 -1.7326 -1.6491 -1.6491 -1.5409 -1.5409 -1.3947 -1.3947 -1.1179 -1.1179 -1.1119 -1.1119 -1.0531 -1.0531 -0.5451 -0.5451 -0.4120 -0.4120 -0.3978 -0.3978 -0.2605 -0.2605 -0.2586 -0.2586 -0.1980 -0.1980 1.3291 1.3291 5.1881 5.1881 k = 0.0000 0.0000 0.4346 ( 11460 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5126 -48.5126 -14.6594 -14.6594 -14.2394 -14.2394 -14.2276 -14.2276 -14.1731 -14.1731 -12.1765 -12.1765 -12.1479 -12.1479 -4.7222 -4.7222 -4.6108 -4.6108 -4.1137 -4.1137 -3.1851 -3.1851 -3.1477 -3.1477 -3.1076 -3.1076 -3.0707 -3.0707 -2.4805 -2.4805 -1.7623 -1.7623 -1.7227 -1.7227 -1.6394 -1.6394 -1.5594 -1.5594 -1.3907 -1.3907 -1.1276 -1.1276 -1.1181 -1.1181 -1.0523 -1.0523 -0.5680 -0.5680 -0.4302 -0.4302 -0.4160 -0.4160 -0.2410 -0.2410 -0.2391 -0.2391 -0.1725 -0.1725 1.3299 1.3299 5.2164 5.2164 k = 0.0000 0.0000 0.4574 ( 11464 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5126 -48.5126 -14.6562 -14.6562 -14.2377 -14.2377 -14.2260 -14.2260 -14.1718 -14.1718 -12.1747 -12.1747 -12.1501 -12.1501 -4.7216 -4.7216 -4.6090 -4.6090 -4.1203 -4.1203 -3.1991 -3.1991 -3.1449 -3.1449 -3.1032 -3.1032 -3.0848 -3.0848 -2.4925 -2.4925 -1.7789 -1.7789 -1.7125 -1.7125 -1.6295 -1.6295 -1.5769 -1.5769 -1.3887 -1.3887 -1.1424 -1.1424 -1.1156 -1.1156 -1.0510 -1.0510 -0.5906 -0.5906 -0.4488 -0.4488 -0.4345 -0.4345 -0.2224 -0.2224 -0.2204 -0.2204 -0.1477 -0.1477 1.3308 1.3308 5.2421 5.2421 k = 0.0000 0.0000 0.4803 ( 11456 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5126 -48.5126 -14.6529 -14.6529 -14.2361 -14.2361 -14.2243 -14.2243 -14.1706 -14.1706 -12.1729 -12.1729 -12.1523 -12.1523 -4.7210 -4.7210 -4.6072 -4.6072 -4.1268 -4.1268 -3.2138 -3.2138 -3.1456 -3.1456 -3.0979 -3.0979 -3.0950 -3.0950 -2.5043 -2.5043 -1.7954 -1.7954 -1.7022 -1.7022 -1.6200 -1.6200 -1.5928 -1.5928 -1.3887 -1.3887 -1.1563 -1.1563 -1.1109 -1.1109 -1.0494 -1.0494 -0.6129 -0.6129 -0.4675 -0.4675 -0.4531 -0.4531 -0.2047 -0.2047 -0.2028 -0.2028 -0.1238 -0.1238 1.3316 1.3316 5.2646 5.2646 k = 0.0000 0.0000 0.5032 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5126 -48.5126 -14.6497 -14.6497 -14.2345 -14.2345 -14.2227 -14.2227 -14.1693 -14.1693 -12.1712 -12.1712 -12.1544 -12.1544 -4.7205 -4.7205 -4.6054 -4.6054 -4.1333 -4.1333 -3.2285 -3.2285 -3.1516 -3.1516 -3.0996 -3.0996 -3.0923 -3.0923 -2.5156 -2.5156 -1.8114 -1.8114 -1.6916 -1.6916 -1.6162 -1.6162 -1.6021 -1.6021 -1.3903 -1.3903 -1.1694 -1.1694 -1.1043 -1.1043 -1.0474 -1.0474 -0.6346 -0.6346 -0.4862 -0.4862 -0.4718 -0.4718 -0.1880 -0.1880 -0.1861 -0.1861 -0.1008 -0.1008 1.3324 1.3324 5.2830 5.2830 k = 0.0000 0.0000 0.5260 ( 11444 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5126 -48.5126 -14.6466 -14.6466 -14.2329 -14.2329 -14.2212 -14.2212 -14.1681 -14.1681 -12.1695 -12.1695 -12.1565 -12.1565 -4.7199 -4.7199 -4.6037 -4.6037 -4.1395 -4.1395 -3.2432 -3.2432 -3.1622 -3.1622 -3.0993 -3.0993 -3.0865 -3.0865 -2.5264 -2.5264 -1.8270 -1.8270 -1.6810 -1.6810 -1.6273 -1.6273 -1.5954 -1.5954 -1.3933 -1.3933 -1.1817 -1.1817 -1.0963 -1.0963 -1.0450 -1.0450 -0.6555 -0.6555 -0.5048 -0.5048 -0.4904 -0.4904 -0.1723 -0.1723 -0.1705 -0.1705 -0.0788 -0.0788 1.3332 1.3332 5.2966 5.2966 k = 0.0000 0.0000 0.5489 ( 11456 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.6436 -14.6436 -14.2314 -14.2314 -14.2196 -14.2196 -14.1669 -14.1669 -12.1679 -12.1679 -12.1585 -12.1585 -4.7194 -4.7194 -4.6021 -4.6021 -4.1456 -4.1456 -3.2574 -3.2574 -3.1750 -3.1750 -3.0962 -3.0962 -3.0807 -3.0807 -2.5367 -2.5367 -1.8420 -1.8420 -1.6705 -1.6705 -1.6407 -1.6407 -1.5855 -1.5855 -1.3973 -1.3973 -1.1931 -1.1931 -1.0876 -1.0876 -1.0420 -1.0420 -0.6757 -0.6757 -0.5231 -0.5231 -0.5088 -0.5088 -0.1576 -0.1576 -0.1558 -0.1558 -0.0580 -0.0580 1.3340 1.3340 5.3051 5.3051 k = 0.0000 0.0000 0.5718 ( 11476 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.6407 -14.6407 -14.2300 -14.2300 -14.2182 -14.2182 -14.1658 -14.1658 -12.1663 -12.1663 -12.1605 -12.1605 -4.7189 -4.7189 -4.6005 -4.6005 -4.1515 -4.1515 -3.2712 -3.2712 -3.1886 -3.1886 -3.0920 -3.0920 -3.0750 -3.0750 -2.5464 -2.5464 -1.8562 -1.8562 -1.6600 -1.6600 -1.6536 -1.6536 -1.5752 -1.5752 -1.4020 -1.4020 -1.2037 -1.2037 -1.0791 -1.0791 -1.0381 -1.0381 -0.6949 -0.6949 -0.5410 -0.5410 -0.5268 -0.5268 -0.1439 -0.1439 -0.1423 -0.1423 -0.0384 -0.0384 1.3347 1.3347 5.3082 5.3082 k = 0.0000 0.0000 0.5947 ( 11472 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.6379 -14.6379 -14.2286 -14.2286 -14.2168 -14.2168 -14.1647 -14.1647 -12.1648 -12.1648 -12.1623 -12.1623 -4.7184 -4.7184 -4.5990 -4.5990 -4.1570 -4.1570 -3.2843 -3.2843 -3.2020 -3.2020 -3.0873 -3.0873 -3.0695 -3.0695 -2.5555 -2.5555 -1.8697 -1.8697 -1.6655 -1.6655 -1.6497 -1.6497 -1.5650 -1.5650 -1.4069 -1.4069 -1.2135 -1.2135 -1.0713 -1.0713 -1.0330 -1.0330 -0.7130 -0.7130 -0.5583 -0.5583 -0.5442 -0.5442 -0.1313 -0.1313 -0.1298 -0.1298 -0.0201 -0.0201 1.3354 1.3354 5.3061 5.3061 k = 0.0000 0.0000 0.6175 ( 11472 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.6353 -14.6353 -14.2273 -14.2273 -14.2155 -14.2155 -14.1637 -14.1637 -12.1641 -12.1641 -12.1634 -12.1634 -4.7179 -4.7179 -4.5976 -4.5976 -4.1623 -4.1623 -3.2965 -3.2965 -3.2148 -3.2148 -3.0826 -3.0826 -3.0643 -3.0643 -2.5640 -2.5640 -1.8824 -1.8824 -1.6765 -1.6765 -1.6397 -1.6397 -1.5550 -1.5550 -1.4121 -1.4121 -1.2224 -1.2224 -1.0650 -1.0650 -1.0266 -1.0266 -0.7298 -0.7298 -0.5749 -0.5749 -0.5609 -0.5609 -0.1197 -0.1197 -0.1183 -0.1183 -0.0031 -0.0031 1.3361 1.3361 5.2994 5.2994 k = 0.0000 0.0000 0.6404 ( 11444 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.6329 -14.6329 -14.2261 -14.2261 -14.2143 -14.2143 -14.1627 -14.1627 -12.1657 -12.1657 -12.1621 -12.1621 -4.7175 -4.7175 -4.5963 -4.5963 -4.1671 -4.1671 -3.3079 -3.3079 -3.2268 -3.2268 -3.0780 -3.0780 -3.0594 -3.0594 -2.5717 -2.5717 -1.8940 -1.8940 -1.6864 -1.6864 -1.6302 -1.6302 -1.5454 -1.5454 -1.4171 -1.4171 -1.2304 -1.2304 -1.0601 -1.0601 -1.0189 -1.0189 -0.7454 -0.7454 -0.5905 -0.5905 -0.5767 -0.5767 -0.1092 -0.1092 -0.1079 -0.1079 0.0125 0.0125 1.3367 1.3367 5.2892 5.2892 k = 0.0000 0.0000 0.6633 ( 11436 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.6307 -14.6307 -14.2250 -14.2250 -14.2132 -14.2132 -14.1619 -14.1619 -12.1672 -12.1672 -12.1609 -12.1609 -4.7170 -4.7170 -4.5951 -4.5951 -4.1716 -4.1716 -3.3184 -3.3184 -3.2379 -3.2379 -3.0736 -3.0736 -3.0549 -3.0549 -2.5787 -2.5787 -1.9046 -1.9046 -1.6953 -1.6953 -1.6211 -1.6211 -1.5363 -1.5363 -1.4219 -1.4219 -1.2376 -1.2376 -1.0566 -1.0566 -1.0106 -1.0106 -0.7596 -0.7596 -0.6052 -0.6052 -0.5915 -0.5915 -0.0998 -0.0998 -0.0986 -0.0986 0.0265 0.0265 1.3373 1.3373 5.2764 5.2764 k = 0.0000 0.0000 0.6861 ( 11420 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.6287 -14.6287 -14.2240 -14.2240 -14.2122 -14.2122 -14.1611 -14.1611 -12.1686 -12.1686 -12.1598 -12.1598 -4.7167 -4.7167 -4.5940 -4.5940 -4.1756 -4.1756 -3.3277 -3.3277 -3.2479 -3.2479 -3.0696 -3.0696 -3.0508 -3.0508 -2.5850 -2.5850 -1.9142 -1.9142 -1.7032 -1.7032 -1.6127 -1.6127 -1.5279 -1.5279 -1.4264 -1.4264 -1.2440 -1.2440 -1.0539 -1.0539 -1.0022 -1.0022 -0.7723 -0.7723 -0.6185 -0.6185 -0.6050 -0.6050 -0.0915 -0.0915 -0.0904 -0.0904 0.0391 0.0391 1.3378 1.3378 5.2622 5.2622 k = 0.0000 0.0000 0.7090 ( 11420 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.6269 -14.6269 -14.2231 -14.2231 -14.2113 -14.2113 -14.1604 -14.1604 -12.1698 -12.1698 -12.1589 -12.1589 -4.7163 -4.7163 -4.5930 -4.5930 -4.1792 -4.1792 -3.3360 -3.3360 -3.2568 -3.2568 -3.0661 -3.0661 -3.0472 -3.0472 -2.5904 -2.5904 -1.9226 -1.9226 -1.7101 -1.7101 -1.6052 -1.6052 -1.5203 -1.5203 -1.4304 -1.4304 -1.2496 -1.2496 -1.0520 -1.0520 -0.9943 -0.9943 -0.7835 -0.7835 -0.6305 -0.6305 -0.6172 -0.6172 -0.0843 -0.0843 -0.0833 -0.0833 0.0500 0.0500 1.3383 1.3383 5.2478 5.2478 k = 0.0000 0.0000 0.7319 ( 11412 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6254 -14.6254 -14.2223 -14.2223 -14.2106 -14.2106 -14.1598 -14.1598 -12.1708 -12.1708 -12.1581 -12.1581 -4.7161 -4.7161 -4.5922 -4.5922 -4.1822 -4.1822 -3.3431 -3.3431 -3.2644 -3.2644 -3.0630 -3.0630 -3.0441 -3.0441 -2.5951 -2.5951 -1.9298 -1.9298 -1.7159 -1.7159 -1.5985 -1.5985 -1.5135 -1.5135 -1.4339 -1.4339 -1.2542 -1.2542 -1.0505 -1.0505 -0.9871 -0.9871 -0.7930 -0.7930 -0.6410 -0.6410 -0.6278 -0.6278 -0.0781 -0.0781 -0.0772 -0.0772 0.0594 0.0594 1.3387 1.3387 5.2340 5.2340 k = 0.0000 0.0000 0.7548 ( 11412 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6242 -14.6242 -14.2217 -14.2217 -14.2099 -14.2099 -14.1594 -14.1594 -12.1717 -12.1717 -12.1574 -12.1574 -4.7158 -4.7158 -4.5915 -4.5915 -4.1847 -4.1847 -3.3490 -3.3490 -3.2707 -3.2707 -3.0604 -3.0604 -3.0414 -3.0414 -2.5989 -2.5989 -1.9357 -1.9357 -1.7207 -1.7207 -1.5928 -1.5928 -1.5078 -1.5078 -1.4369 -1.4369 -1.2581 -1.2581 -1.0494 -1.0494 -0.9809 -0.9809 -0.8009 -0.8009 -0.6498 -0.6498 -0.6368 -0.6368 -0.0731 -0.0731 -0.0723 -0.0723 0.0671 0.0671 1.3390 1.3390 5.2217 5.2217 k = 0.0000 0.0000 0.7776 ( 11416 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6232 -14.6232 -14.2212 -14.2212 -14.2094 -14.2094 -14.1590 -14.1590 -12.1723 -12.1723 -12.1569 -12.1569 -4.7157 -4.7157 -4.5910 -4.5910 -4.1867 -4.1867 -3.3536 -3.3536 -3.2756 -3.2756 -3.0583 -3.0583 -3.0394 -3.0394 -2.6019 -2.6019 -1.9403 -1.9403 -1.7244 -1.7244 -1.5883 -1.5883 -1.5033 -1.5033 -1.4393 -1.4393 -1.2611 -1.2611 -1.0486 -1.0486 -0.9760 -0.9760 -0.8071 -0.8071 -0.6567 -0.6567 -0.6439 -0.6439 -0.0692 -0.0692 -0.0684 -0.0684 0.0731 0.0731 1.3393 1.3393 5.2114 5.2114 k = 0.0000 0.0000 0.8005 ( 11404 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6225 -14.6225 -14.2209 -14.2209 -14.2091 -14.2091 -14.1587 -14.1587 -12.1728 -12.1728 -12.1565 -12.1565 -4.7155 -4.7155 -4.5907 -4.5907 -4.1881 -4.1881 -3.3569 -3.3569 -3.2792 -3.2792 -3.0569 -3.0569 -3.0379 -3.0379 -2.6040 -2.6040 -1.9437 -1.9437 -1.7270 -1.7270 -1.5850 -1.5850 -1.4999 -1.4999 -1.4409 -1.4409 -1.2632 -1.2632 -1.0480 -1.0480 -0.9724 -0.9724 -0.8115 -0.8115 -0.6618 -0.6618 -0.6490 -0.6490 -0.0664 -0.0664 -0.0657 -0.0657 0.0774 0.0774 1.3395 1.3395 5.2038 5.2038 k = 0.0000 0.0000 0.8234 ( 11388 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6220 -14.6220 -14.2206 -14.2206 -14.2089 -14.2089 -14.1585 -14.1585 -12.1731 -12.1731 -12.1562 -12.1562 -4.7154 -4.7154 -4.5904 -4.5904 -4.1890 -4.1890 -3.3589 -3.3589 -3.2813 -3.2813 -3.0560 -3.0560 -3.0370 -3.0370 -2.6053 -2.6053 -1.9457 -1.9457 -1.7286 -1.7286 -1.5830 -1.5830 -1.4979 -1.4979 -1.4420 -1.4420 -1.2644 -1.2644 -1.0477 -1.0477 -0.9702 -0.9702 -0.8142 -0.8142 -0.6648 -0.6648 -0.6522 -0.6522 -0.0648 -0.0648 -0.0640 -0.0640 0.0800 0.0800 1.3396 1.3396 5.1991 5.1991 k = 0.0000 0.0000 0.8462 ( 11396 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6219 -14.6219 -14.2206 -14.2206 -14.2088 -14.2088 -14.1585 -14.1585 -12.1732 -12.1732 -12.1562 -12.1562 -4.7154 -4.7154 -4.5903 -4.5903 -4.1893 -4.1893 -3.3596 -3.3596 -3.2820 -3.2820 -3.0557 -3.0557 -3.0367 -3.0367 -2.6058 -2.6058 -1.9464 -1.9464 -1.7291 -1.7291 -1.5823 -1.5823 -1.4972 -1.4972 -1.4423 -1.4423 -1.2649 -1.2649 -1.0476 -1.0476 -0.9695 -0.9695 -0.8151 -0.8151 -0.6659 -0.6659 -0.6532 -0.6532 -0.0642 -0.0642 -0.0635 -0.0635 0.0808 0.0808 1.3396 1.3396 5.1975 5.1975 k = 0.0000 0.0000 0.8462 ( 11396 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6219 -14.6219 -14.2206 -14.2206 -14.2088 -14.2088 -14.1585 -14.1585 -12.1732 -12.1732 -12.1562 -12.1562 -4.7154 -4.7154 -4.5903 -4.5903 -4.1893 -4.1893 -3.3596 -3.3596 -3.2820 -3.2820 -3.0557 -3.0557 -3.0367 -3.0367 -2.6058 -2.6058 -1.9464 -1.9464 -1.7291 -1.7291 -1.5823 -1.5823 -1.4972 -1.4972 -1.4423 -1.4423 -1.2649 -1.2649 -1.0476 -1.0476 -0.9695 -0.9695 -0.8151 -0.8151 -0.6659 -0.6659 -0.6532 -0.6532 -0.0642 -0.0642 -0.0635 -0.0635 0.0808 0.0808 1.3396 1.3396 5.1975 5.1975 k = 0.0000 0.0227 0.8462 ( 11404 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6217 -14.6217 -14.2206 -14.2206 -14.2089 -14.2089 -14.1585 -14.1585 -12.1732 -12.1732 -12.1562 -12.1562 -4.7159 -4.7159 -4.5897 -4.5897 -4.1887 -4.1887 -3.3593 -3.3593 -3.2817 -3.2817 -3.0553 -3.0553 -3.0363 -3.0363 -2.6065 -2.6065 -1.9479 -1.9479 -1.7335 -1.7335 -1.5812 -1.5812 -1.4974 -1.4974 -1.4415 -1.4415 -1.2640 -1.2640 -1.0484 -1.0484 -0.9693 -0.9693 -0.8124 -0.8124 -0.6652 -0.6652 -0.6526 -0.6526 -0.0649 -0.0649 -0.0642 -0.0642 0.0802 0.0802 1.3386 1.3386 5.1984 5.1984 k = 0.0000 0.0455 0.8462 ( 11412 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6212 -14.6212 -14.2209 -14.2209 -14.2091 -14.2091 -14.1587 -14.1587 -12.1731 -12.1731 -12.1563 -12.1563 -4.7173 -4.7173 -4.5878 -4.5878 -4.1868 -4.1868 -3.3584 -3.3584 -3.2807 -3.2807 -3.0549 -3.0549 -3.0344 -3.0344 -2.6087 -2.6087 -1.9525 -1.9525 -1.7462 -1.7462 -1.5781 -1.5781 -1.4980 -1.4980 -1.4390 -1.4390 -1.2614 -1.2614 -1.0510 -1.0510 -0.9687 -0.9687 -0.8044 -0.8044 -0.6631 -0.6631 -0.6505 -0.6505 -0.0670 -0.0670 -0.0662 -0.0662 0.0782 0.0782 1.3357 1.3357 5.2009 5.2009 k = 0.0000 0.0682 0.8462 ( 11424 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6204 -14.6204 -14.2213 -14.2213 -14.2094 -14.2094 -14.1591 -14.1591 -12.1730 -12.1730 -12.1564 -12.1564 -4.7196 -4.7196 -4.5846 -4.5846 -4.1838 -4.1838 -3.3569 -3.3569 -3.2791 -3.2791 -3.0556 -3.0556 -3.0298 -3.0298 -2.6123 -2.6123 -1.9598 -1.9598 -1.7659 -1.7659 -1.5738 -1.5738 -1.4987 -1.4987 -1.4351 -1.4351 -1.2573 -1.2573 -1.0554 -1.0554 -0.9677 -0.9677 -0.7914 -0.7914 -0.6596 -0.6596 -0.6471 -0.6471 -0.0705 -0.0705 -0.0695 -0.0695 0.0749 0.0749 1.3310 1.3310 5.2050 5.2050 k = 0.0000 0.0909 0.8462 ( 11428 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6192 -14.6192 -14.2219 -14.2219 -14.2096 -14.2096 -14.1595 -14.1595 -12.1729 -12.1729 -12.1565 -12.1565 -4.7227 -4.7227 -4.5803 -4.5803 -4.1795 -4.1795 -3.3549 -3.3549 -3.2768 -3.2768 -3.0581 -3.0581 -3.0219 -3.0219 -2.6173 -2.6173 -1.9697 -1.9697 -1.7915 -1.7915 -1.5689 -1.5689 -1.4995 -1.4995 -1.4300 -1.4300 -1.2519 -1.2519 -1.0615 -1.0615 -0.9663 -0.9663 -0.7741 -0.7741 -0.6548 -0.6548 -0.6422 -0.6422 -0.0755 -0.0755 -0.0740 -0.0740 0.0703 0.0703 1.3246 1.3246 5.2106 5.2106 k = 0.0000 0.1136 0.8462 ( 11430 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6177 -14.6177 -14.2230 -14.2230 -14.2097 -14.2097 -14.1601 -14.1601 -12.1727 -12.1727 -12.1567 -12.1567 -4.7266 -4.7266 -4.5749 -4.5749 -4.1741 -4.1741 -3.3523 -3.3523 -3.2740 -3.2740 -3.0622 -3.0622 -3.0110 -3.0110 -2.6235 -2.6235 -1.9817 -1.9817 -1.8218 -1.8218 -1.5639 -1.5639 -1.5001 -1.5001 -1.4239 -1.4239 -1.2456 -1.2456 -1.0693 -1.0693 -0.9645 -0.9645 -0.7529 -0.7529 -0.6485 -0.6485 -0.6360 -0.6360 -0.0818 -0.0818 -0.0798 -0.0798 0.0644 0.0644 1.3165 1.3165 5.2177 5.2177 k = 0.0000 0.1364 0.8462 ( 11454 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.6160 -14.6160 -14.2244 -14.2244 -14.2097 -14.2097 -14.1608 -14.1608 -12.1725 -12.1725 -12.1569 -12.1569 -4.7312 -4.7312 -4.5686 -4.5686 -4.1675 -4.1675 -3.3493 -3.3493 -3.2706 -3.2706 -3.0676 -3.0676 -2.9977 -2.9977 -2.6309 -2.6309 -1.9955 -1.9955 -1.8557 -1.8557 -1.5590 -1.5590 -1.5006 -1.5006 -1.4173 -1.4173 -1.2386 -1.2386 -1.0787 -1.0787 -0.9624 -0.9624 -0.7285 -0.7285 -0.6409 -0.6409 -0.6284 -0.6284 -0.0896 -0.0896 -0.0868 -0.0868 0.0573 0.0573 1.3070 1.3070 5.2262 5.2262 k = 0.0000 0.1591 0.8462 ( 11446 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6140 -14.6140 -14.2263 -14.2263 -14.2094 -14.2094 -14.1617 -14.1617 -12.1722 -12.1722 -12.1572 -12.1572 -4.7362 -4.7362 -4.5614 -4.5614 -4.1598 -4.1598 -3.3458 -3.3458 -3.2666 -3.2666 -3.0739 -3.0739 -2.9822 -2.9822 -2.6393 -2.6393 -2.0106 -2.0106 -1.8924 -1.8924 -1.5541 -1.5541 -1.5008 -1.5008 -1.4103 -1.4103 -1.2311 -1.2311 -1.0896 -1.0896 -0.9600 -0.9600 -0.7017 -0.7017 -0.6320 -0.6320 -0.6195 -0.6195 -0.0986 -0.0986 -0.0950 -0.0950 0.0488 0.0488 1.2964 1.2964 5.2358 5.2358 k = 0.0000 0.1818 0.8462 ( 11458 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.6118 -14.6118 -14.2285 -14.2285 -14.2089 -14.2089 -14.1626 -14.1626 -12.1719 -12.1719 -12.1575 -12.1575 -4.7417 -4.7417 -4.5536 -4.5536 -4.1512 -4.1512 -3.3419 -3.3419 -3.2622 -3.2622 -3.0810 -3.0810 -2.9650 -2.9650 -2.6486 -2.6486 -2.0267 -2.0267 -1.9309 -1.9309 -1.5495 -1.5495 -1.5008 -1.5008 -1.4032 -1.4032 -1.2234 -1.2234 -1.1019 -1.1019 -0.9573 -0.9573 -0.6729 -0.6729 -0.6217 -0.6217 -0.6091 -0.6091 -0.1088 -0.1088 -0.1044 -0.1044 0.0390 0.0390 1.2848 1.2848 5.2465 5.2465 k = 0.0000 0.2045 0.8462 ( 11454 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.6094 -14.6094 -14.2310 -14.2310 -14.2082 -14.2082 -14.1637 -14.1637 -12.1715 -12.1715 -12.1579 -12.1579 -4.7475 -4.7475 -4.5452 -4.5452 -4.1415 -4.1415 -3.3376 -3.3376 -3.2574 -3.2574 -3.0887 -3.0887 -2.9464 -2.9464 -2.6585 -2.6585 -2.0433 -2.0433 -1.9706 -1.9706 -1.5449 -1.5449 -1.5006 -1.5006 -1.3962 -1.3962 -1.2156 -1.2156 -1.1154 -1.1154 -0.9544 -0.9544 -0.6428 -0.6428 -0.6102 -0.6102 -0.5974 -0.5974 -0.1202 -0.1202 -0.1149 -0.1149 0.0280 0.0280 1.2724 1.2724 5.2580 5.2580 k = 0.0000 0.2273 0.8462 ( 11468 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.6069 -14.6069 -14.2338 -14.2338 -14.2073 -14.2073 -14.1648 -14.1648 -12.1711 -12.1711 -12.1583 -12.1583 -4.7535 -4.7535 -4.5365 -4.5365 -4.1311 -4.1311 -3.3332 -3.3332 -3.2522 -3.2522 -3.0967 -3.0967 -2.9268 -2.9268 -2.6690 -2.6690 -2.0603 -2.0603 -2.0107 -2.0107 -1.5405 -1.5405 -1.5001 -1.5001 -1.3895 -1.3895 -1.2079 -1.2079 -1.1299 -1.1299 -0.9515 -0.9515 -0.6122 -0.6122 -0.5970 -0.5970 -0.5843 -0.5843 -0.1328 -0.1328 -0.1265 -0.1265 0.0158 0.0158 1.2596 1.2596 5.2701 5.2701 k = 0.0000 0.2500 0.8462 ( 11464 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.6042 -14.6042 -14.2367 -14.2367 -14.2062 -14.2062 -14.1661 -14.1661 -12.1707 -12.1707 -12.1587 -12.1587 -4.7595 -4.7595 -4.5277 -4.5277 -4.1200 -4.1200 -3.3285 -3.3285 -3.2468 -3.2468 -3.1050 -3.1050 -2.9065 -2.9065 -2.6799 -2.6799 -2.0778 -2.0778 -2.0500 -2.0500 -1.5361 -1.5361 -1.4994 -1.4994 -1.3831 -1.3831 -1.2005 -1.2005 -1.1452 -1.1452 -0.9485 -0.9485 -0.5870 -0.5870 -0.5772 -0.5772 -0.5697 -0.5697 -0.1463 -0.1463 -0.1392 -0.1392 0.0023 0.0023 1.2466 1.2466 5.2825 5.2825 k = 0.0000 0.2727 0.8462 ( 11468 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.6016 -14.6016 -14.2397 -14.2397 -14.2051 -14.2051 -14.1674 -14.1674 -12.1703 -12.1703 -12.1591 -12.1591 -4.7655 -4.7655 -4.5189 -4.5189 -4.1085 -4.1085 -3.3238 -3.3238 -3.2411 -3.2411 -3.1132 -3.1132 -2.8861 -2.8861 -2.6908 -2.6908 -2.0987 -2.0987 -2.0847 -2.0847 -1.5319 -1.5319 -1.4987 -1.4987 -1.3771 -1.3771 -1.1935 -1.1935 -1.1609 -1.1609 -0.9455 -0.9455 -0.5711 -0.5711 -0.5552 -0.5552 -0.5455 -0.5455 -0.1607 -0.1607 -0.1529 -0.1529 -0.0124 -0.0124 1.2337 1.2337 5.2952 5.2952 k = 0.0000 0.2955 0.8462 ( 11464 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5989 -14.5989 -14.2427 -14.2427 -14.2038 -14.2038 -14.1688 -14.1688 -12.1698 -12.1698 -12.1596 -12.1596 -4.7712 -4.7712 -4.5103 -4.5103 -4.0967 -4.0967 -3.3191 -3.3191 -3.2354 -3.2354 -3.1214 -3.1214 -2.8658 -2.8658 -2.7017 -2.7017 -2.1314 -2.1314 -2.1054 -2.1054 -1.5278 -1.5278 -1.4977 -1.4977 -1.3716 -1.3716 -1.1872 -1.1872 -1.1767 -1.1767 -0.9427 -0.9427 -0.5556 -0.5556 -0.5384 -0.5384 -0.5138 -0.5138 -0.1758 -0.1758 -0.1675 -0.1675 -0.0282 -0.0282 1.2212 1.2212 5.3076 5.3076 k = 0.0000 0.3182 0.8462 ( 11476 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5963 -14.5963 -14.2457 -14.2457 -14.2024 -14.2024 -14.1702 -14.1702 -12.1693 -12.1693 -12.1601 -12.1601 -4.7767 -4.7767 -4.5022 -4.5022 -4.0849 -4.0849 -3.3145 -3.3145 -3.2298 -3.2298 -3.1292 -3.1292 -2.8461 -2.8461 -2.7123 -2.7123 -2.1666 -2.1666 -2.1208 -2.1208 -1.5238 -1.5238 -1.4967 -1.4967 -1.3667 -1.3667 -1.1933 -1.1933 -1.1806 -1.1806 -0.9400 -0.9400 -0.5397 -0.5397 -0.5209 -0.5209 -0.4819 -0.4819 -0.1916 -0.1916 -0.1829 -0.1829 -0.0452 -0.0452 1.2092 1.2092 5.3198 5.3198 k = 0.0000 0.3409 0.8462 ( 11480 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5938 -14.5938 -14.2485 -14.2485 -14.2010 -14.2010 -14.1717 -14.1717 -12.1688 -12.1688 -12.1606 -12.1606 -4.7817 -4.7817 -4.4945 -4.4945 -4.0734 -4.0734 -3.3102 -3.3102 -3.2243 -3.2243 -3.1366 -3.1366 -2.8275 -2.8275 -2.7223 -2.7223 -2.1998 -2.1998 -2.1344 -2.1344 -1.5201 -1.5201 -1.4955 -1.4955 -1.3624 -1.3624 -1.2086 -1.2086 -1.1754 -1.1754 -0.9375 -0.9375 -0.5235 -0.5235 -0.5026 -0.5026 -0.4503 -0.4503 -0.2079 -0.2079 -0.1991 -0.1991 -0.0632 -0.0632 1.1980 1.1980 5.3312 5.3312 k = 0.0000 0.3636 0.8462 ( 11454 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5915 -14.5915 -14.2512 -14.2512 -14.1996 -14.1996 -14.1732 -14.1732 -12.1682 -12.1682 -12.1612 -12.1612 -4.7863 -4.7863 -4.4876 -4.4876 -4.0625 -4.0625 -3.3061 -3.3061 -3.2191 -3.2191 -3.1433 -3.1433 -2.8103 -2.8103 -2.7316 -2.7316 -2.2300 -2.2300 -2.1465 -2.1465 -1.5166 -1.5166 -1.4942 -1.4942 -1.3587 -1.3587 -1.2232 -1.2232 -1.1708 -1.1708 -0.9352 -0.9352 -0.5070 -0.5070 -0.4839 -0.4839 -0.4194 -0.4194 -0.2243 -0.2243 -0.2158 -0.2158 -0.0821 -0.0821 1.1879 1.1879 5.3418 5.3418 k = 0.0000 0.3864 0.8462 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5895 -14.5895 -14.2535 -14.2535 -14.1982 -14.1982 -14.1747 -14.1747 -12.1677 -12.1677 -12.1617 -12.1617 -4.7902 -4.7902 -4.4815 -4.4815 -4.0526 -4.0526 -3.3024 -3.3024 -3.2144 -3.2144 -3.1492 -3.1492 -2.7949 -2.7949 -2.7400 -2.7400 -2.2568 -2.2568 -2.1570 -2.1570 -1.5136 -1.5136 -1.4928 -1.4928 -1.3556 -1.3556 -1.2366 -1.2366 -1.1668 -1.1668 -0.9332 -0.9332 -0.4907 -0.4907 -0.4650 -0.4650 -0.3894 -0.3894 -0.2406 -0.2406 -0.2328 -0.2328 -0.1018 -0.1018 1.1790 1.1790 5.3512 5.3512 k = 0.0000 0.4091 0.8462 ( 11458 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5877 -14.5877 -14.2555 -14.2555 -14.1968 -14.1968 -14.1761 -14.1761 -12.1671 -12.1671 -12.1623 -12.1623 -4.7936 -4.7936 -4.4764 -4.4764 -4.0439 -4.0439 -3.2993 -3.2993 -3.2103 -3.2103 -3.1543 -3.1543 -2.7818 -2.7818 -2.7472 -2.7472 -2.2794 -2.2794 -2.1658 -2.1658 -1.5111 -1.5111 -1.4914 -1.4914 -1.3532 -1.3532 -1.2483 -1.2483 -1.1635 -1.1635 -0.9316 -0.9316 -0.4750 -0.4750 -0.4462 -0.4462 -0.3606 -0.3606 -0.2563 -0.2563 -0.2499 -0.2499 -0.1221 -0.1221 1.1715 1.1715 5.3593 5.3593 k = 0.0000 0.4318 0.8462 ( 11458 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5863 -14.5863 -14.2572 -14.2572 -14.1956 -14.1956 -14.1774 -14.1774 -12.1665 -12.1665 -12.1629 -12.1629 -4.7963 -4.7963 -4.4723 -4.4723 -4.0367 -4.0367 -3.2968 -3.2968 -3.2069 -3.2069 -3.1584 -3.1584 -2.7712 -2.7712 -2.7530 -2.7530 -2.2975 -2.2975 -2.1728 -2.1728 -1.5091 -1.5091 -1.4899 -1.4899 -1.3513 -1.3513 -1.2579 -1.2579 -1.1610 -1.1610 -0.9303 -0.9303 -0.4606 -0.4606 -0.4284 -0.4284 -0.3338 -0.3338 -0.2707 -0.2707 -0.2663 -0.2663 -0.1424 -0.1424 1.1655 1.1655 5.3657 5.3657 k = 0.0000 0.4545 0.8462 ( 11464 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5852 -14.5852 -14.2584 -14.2584 -14.1945 -14.1945 -14.1784 -14.1784 -12.1659 -12.1659 -12.1635 -12.1635 -4.7982 -4.7982 -4.4693 -4.4693 -4.0315 -4.0315 -3.2949 -3.2949 -3.2044 -3.2044 -3.1613 -3.1613 -2.7634 -2.7634 -2.7573 -2.7573 -2.3107 -2.3107 -2.1778 -2.1778 -1.5078 -1.5078 -1.4887 -1.4887 -1.3501 -1.3501 -1.2651 -1.2651 -1.1592 -1.1592 -0.9293 -0.9293 -0.4485 -0.4485 -0.4125 -0.4125 -0.3104 -0.3104 -0.2829 -0.2829 -0.2805 -0.2805 -0.1615 -0.1615 1.1611 1.1611 5.3705 5.3705 k = 0.0000 0.4773 0.8462 ( 11466 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5846 -14.5846 -14.2591 -14.2591 -14.1938 -14.1938 -14.1791 -14.1791 -12.1653 -12.1653 -12.1641 -12.1641 -4.7994 -4.7994 -4.4675 -4.4675 -4.0282 -4.0282 -3.2938 -3.2938 -3.2029 -3.2029 -3.1631 -3.1631 -2.7599 -2.7599 -2.7586 -2.7586 -2.3187 -2.3187 -2.1808 -2.1808 -1.5070 -1.5070 -1.4878 -1.4878 -1.3494 -1.3494 -1.2695 -1.2695 -1.1581 -1.1581 -0.9288 -0.9288 -0.4402 -0.4402 -0.4008 -0.4008 -0.2968 -0.2968 -0.2920 -0.2920 -0.2863 -0.2863 -0.1768 -0.1768 1.1585 1.1585 5.3734 5.3734 k = 0.0000 0.5000 0.8462 ( 11488 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5844 -14.5844 -14.2594 -14.2594 -14.1936 -14.1936 -14.1794 -14.1794 -12.1647 -12.1647 -12.1647 -12.1647 -4.7998 -4.7998 -4.4669 -4.4669 -4.0271 -4.0271 -3.2935 -3.2935 -3.2024 -3.2024 -3.1637 -3.1637 -2.7608 -2.7608 -2.7571 -2.7571 -2.3214 -2.3214 -2.1819 -2.1819 -1.5067 -1.5067 -1.4875 -1.4875 -1.3492 -1.3492 -1.2710 -1.2710 -1.1577 -1.1577 -0.9286 -0.9286 -0.4372 -0.4372 -0.3962 -0.3962 -0.2984 -0.2984 -0.2947 -0.2947 -0.2819 -0.2819 -0.1831 -0.1831 1.1575 1.1575 5.3743 5.3743 k = 0.0000 0.5000 0.8462 ( 11488 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5844 -14.5844 -14.2594 -14.2594 -14.1936 -14.1936 -14.1794 -14.1794 -12.1647 -12.1647 -12.1647 -12.1647 -4.7998 -4.7998 -4.4669 -4.4669 -4.0271 -4.0271 -3.2935 -3.2935 -3.2024 -3.2024 -3.1637 -3.1637 -2.7608 -2.7608 -2.7571 -2.7571 -2.3214 -2.3214 -2.1819 -2.1819 -1.5067 -1.5067 -1.4875 -1.4875 -1.3492 -1.3492 -1.2710 -1.2710 -1.1577 -1.1577 -0.9286 -0.9286 -0.4372 -0.4372 -0.3962 -0.3962 -0.2984 -0.2984 -0.2947 -0.2947 -0.2819 -0.2819 -0.1831 -0.1831 1.1575 1.1575 5.3743 5.3743 k = 0.0227 0.5000 0.8462 ( 11460 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5842 -14.5842 -14.2593 -14.2593 -14.1937 -14.1937 -14.1796 -14.1796 -12.1647 -12.1647 -12.1647 -12.1647 -4.8003 -4.8003 -4.4662 -4.4662 -4.0267 -4.0267 -3.2931 -3.2931 -3.2020 -3.2020 -3.1623 -3.1623 -2.7614 -2.7614 -2.7576 -2.7576 -2.3213 -2.3213 -2.1830 -2.1830 -1.5415 -1.5415 -1.4546 -1.4546 -1.3477 -1.3477 -1.2719 -1.2719 -1.1564 -1.1564 -0.9283 -0.9283 -0.4389 -0.4389 -0.3977 -0.3977 -0.2971 -0.2971 -0.2938 -0.2938 -0.2817 -0.2817 -0.1834 -0.1834 1.1562 1.1562 5.3749 5.3749 k = 0.0455 0.5000 0.8462 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5837 -14.5837 -14.2590 -14.2590 -14.1939 -14.1939 -14.1802 -14.1802 -12.1647 -12.1647 -12.1647 -12.1647 -4.8018 -4.8018 -4.4639 -4.4639 -4.0254 -4.0254 -3.2921 -3.2921 -3.2011 -3.2011 -3.1579 -3.1579 -2.7631 -2.7631 -2.7591 -2.7591 -2.3208 -2.3208 -2.1864 -2.1864 -1.5857 -1.5857 -1.4162 -1.4162 -1.3431 -1.3431 -1.2745 -1.2745 -1.1523 -1.1523 -0.9276 -0.9276 -0.4441 -0.4441 -0.4018 -0.4018 -0.2936 -0.2936 -0.2912 -0.2912 -0.2811 -0.2811 -0.1841 -0.1841 1.1521 1.1521 5.3765 5.3765 k = 0.0682 0.5000 0.8462 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5829 -14.5829 -14.2586 -14.2586 -14.1944 -14.1944 -14.1811 -14.1811 -12.1647 -12.1647 -12.1647 -12.1647 -4.8043 -4.8043 -4.4603 -4.4603 -4.0232 -4.0232 -3.2906 -3.2906 -3.1995 -3.1995 -3.1507 -3.1507 -2.7659 -2.7659 -2.7616 -2.7616 -2.3199 -2.3199 -2.1920 -2.1920 -1.6313 -1.6313 -1.3819 -1.3819 -1.3341 -1.3341 -1.2786 -1.2786 -1.1454 -1.1454 -0.9263 -0.9263 -0.4522 -0.4522 -0.4083 -0.4083 -0.2884 -0.2884 -0.2872 -0.2872 -0.2800 -0.2800 -0.1853 -0.1853 1.1454 1.1454 5.3791 5.3791 k = 0.0909 0.5000 0.8462 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5817 -14.5817 -14.2581 -14.2581 -14.1950 -14.1950 -14.1824 -14.1824 -12.1647 -12.1647 -12.1647 -12.1647 -4.8078 -4.8078 -4.4552 -4.4552 -4.0202 -4.0202 -3.2884 -3.2884 -3.1973 -3.1973 -3.1408 -3.1408 -2.7698 -2.7698 -2.7650 -2.7650 -2.3188 -2.3188 -2.1995 -2.1995 -1.6777 -1.6777 -1.3560 -1.3560 -1.3174 -1.3174 -1.2840 -1.2840 -1.1357 -1.1357 -0.9246 -0.9246 -0.4625 -0.4625 -0.4167 -0.4167 -0.2826 -0.2826 -0.2823 -0.2823 -0.2779 -0.2779 -0.1870 -0.1870 1.1361 1.1361 5.3826 5.3826 k = 0.1136 0.5000 0.8462 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5803 -14.5803 -14.2574 -14.2574 -14.1958 -14.1958 -14.1841 -14.1841 -12.1647 -12.1647 -12.1647 -12.1647 -4.8120 -4.8120 -4.4489 -4.4489 -4.0164 -4.0164 -3.2856 -3.2856 -3.1944 -3.1944 -3.1285 -3.1285 -2.7747 -2.7747 -2.7693 -2.7693 -2.3174 -2.3174 -2.2088 -2.2088 -1.7247 -1.7247 -1.3405 -1.3405 -1.2922 -1.2922 -1.2900 -1.2900 -1.1229 -1.1229 -0.9224 -0.9224 -0.4747 -0.4747 -0.4266 -0.4266 -0.2788 -0.2788 -0.2769 -0.2769 -0.2727 -0.2727 -0.1891 -0.1891 1.1246 1.1246 5.3871 5.3871 k = 0.1364 0.5000 0.8462 ( 11428 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5786 -14.5786 -14.2565 -14.2565 -14.1967 -14.1967 -14.1861 -14.1861 -12.1647 -12.1647 -12.1647 -12.1647 -4.8170 -4.8170 -4.4414 -4.4414 -4.0117 -4.0117 -3.2822 -3.2822 -3.1911 -3.1911 -3.1138 -3.1138 -2.7806 -2.7806 -2.7743 -2.7743 -2.3157 -2.3157 -2.2196 -2.2196 -1.7720 -1.7720 -1.3317 -1.3317 -1.2947 -1.2947 -1.2645 -1.2645 -1.1071 -1.1071 -0.9197 -0.9197 -0.4883 -0.4883 -0.4376 -0.4376 -0.2765 -0.2765 -0.2712 -0.2712 -0.2654 -0.2654 -0.1916 -0.1916 1.1111 1.1111 5.3924 5.3924 k = 0.1591 0.5000 0.8462 ( 11420 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.5767 -14.5767 -14.2555 -14.2555 -14.1979 -14.1979 -14.1883 -14.1883 -12.1647 -12.1647 -12.1647 -12.1647 -4.8225 -4.8225 -4.4330 -4.4330 -4.0063 -4.0063 -3.2784 -3.2784 -3.1871 -3.1871 -3.0971 -3.0971 -2.7873 -2.7873 -2.7800 -2.7800 -2.3138 -2.3138 -2.2316 -2.2316 -1.8191 -1.8191 -1.3306 -1.3306 -1.2937 -1.2937 -1.2379 -1.2379 -1.0884 -1.0884 -0.9166 -0.9166 -0.5029 -0.5029 -0.4496 -0.4496 -0.2744 -0.2744 -0.2656 -0.2656 -0.2577 -0.2577 -0.1945 -0.1945 1.0958 1.0958 5.3984 5.3984 k = 0.1818 0.5000 0.8462 ( 11412 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.5745 -14.5745 -14.2544 -14.2544 -14.1992 -14.1992 -14.1907 -14.1907 -12.1647 -12.1647 -12.1647 -12.1647 -4.8286 -4.8286 -4.4236 -4.4236 -4.0001 -4.0001 -3.2741 -3.2741 -3.1827 -3.1827 -3.0788 -3.0788 -2.7948 -2.7948 -2.7863 -2.7863 -2.3118 -2.3118 -2.2446 -2.2446 -1.8659 -1.8659 -1.3374 -1.3374 -1.2859 -1.2859 -1.2132 -1.2132 -1.0673 -1.0673 -0.9131 -0.9131 -0.5183 -0.5183 -0.4623 -0.4623 -0.2721 -0.2721 -0.2600 -0.2600 -0.2500 -0.2500 -0.1978 -0.1978 1.0791 1.0791 5.4051 5.4051 k = 0.2045 0.5000 0.8462 ( 11416 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.5722 -14.5722 -14.2531 -14.2531 -14.2007 -14.2007 -14.1932 -14.1932 -12.1647 -12.1647 -12.1647 -12.1647 -4.8349 -4.8349 -4.4137 -4.4137 -3.9934 -3.9934 -3.2694 -3.2694 -3.1779 -3.1779 -3.0590 -3.0590 -2.8030 -2.8030 -2.7930 -2.7930 -2.3096 -2.3096 -2.2582 -2.2582 -1.9120 -1.9120 -1.3485 -1.3485 -1.2746 -1.2746 -1.1905 -1.1905 -1.0443 -1.0443 -0.9091 -0.9091 -0.5344 -0.5344 -0.4756 -0.4756 -0.2698 -0.2698 -0.2547 -0.2547 -0.2427 -0.2427 -0.2012 -0.2012 1.0613 1.0613 5.4122 5.4122 k = 0.2273 0.5000 0.8462 ( 11436 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5697 -14.5697 -14.2517 -14.2517 -14.2025 -14.2025 -14.1958 -14.1958 -12.1647 -12.1647 -12.1647 -12.1647 -4.8415 -4.8415 -4.4032 -4.4032 -3.9860 -3.9860 -3.2644 -3.2644 -3.1727 -3.1727 -3.0382 -3.0382 -2.8117 -2.8117 -2.7999 -2.7999 -2.3074 -2.3074 -2.2721 -2.2721 -1.9571 -1.9571 -1.3616 -1.3616 -1.2620 -1.2620 -1.1693 -1.1693 -1.0202 -1.0202 -0.9048 -0.9048 -0.5508 -0.5508 -0.4894 -0.4894 -0.2675 -0.2675 -0.2497 -0.2497 -0.2360 -0.2360 -0.2046 -0.2046 1.0429 1.0429 5.4197 5.4197 k = 0.2500 0.5000 0.8462 ( 11444 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5671 -14.5671 -14.2501 -14.2501 -14.2045 -14.2045 -14.1984 -14.1984 -12.1647 -12.1647 -12.1647 -12.1647 -4.8480 -4.8480 -4.3926 -4.3926 -3.9781 -3.9781 -3.2591 -3.2591 -3.1672 -3.1672 -3.0168 -3.0168 -2.8208 -2.8208 -2.8071 -2.8071 -2.3052 -2.3052 -2.2860 -2.2860 -2.0006 -2.0006 -1.3758 -1.3758 -1.2489 -1.2489 -1.1495 -1.1495 -0.9958 -0.9958 -0.9000 -0.9000 -0.5675 -0.5675 -0.5035 -0.5035 -0.2651 -0.2651 -0.2451 -0.2451 -0.2301 -0.2301 -0.2077 -0.2077 1.0241 1.0241 5.4273 5.4273 k = 0.2727 0.5000 0.8462 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5645 -14.5645 -14.2485 -14.2485 -14.2067 -14.2067 -14.2009 -14.2009 -12.1647 -12.1647 -12.1647 -12.1647 -4.8545 -4.8545 -4.3819 -4.3819 -3.9698 -3.9698 -3.2537 -3.2537 -3.1614 -3.1614 -2.9952 -2.9952 -2.8302 -2.8302 -2.8142 -2.8142 -2.3040 -2.3040 -2.2988 -2.2988 -2.0423 -2.0423 -1.3906 -1.3906 -1.2358 -1.2358 -1.1306 -1.1306 -0.9714 -0.9714 -0.8949 -0.8949 -0.5843 -0.5843 -0.5179 -0.5179 -0.2628 -0.2628 -0.2410 -0.2410 -0.2260 -0.2260 -0.2096 -0.2096 1.0054 1.0054 5.4351 5.4351 k = 0.2955 0.5000 0.8462 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5619 -14.5619 -14.2468 -14.2468 -14.2092 -14.2092 -14.2032 -14.2032 -12.1647 -12.1647 -12.1647 -12.1647 -4.8607 -4.8607 -4.3714 -4.3714 -3.9613 -3.9613 -3.2482 -3.2482 -3.1555 -3.1555 -2.9737 -2.9737 -2.8396 -2.8396 -2.8211 -2.8211 -2.3138 -2.3138 -2.3004 -2.3004 -2.0817 -2.0817 -1.4056 -1.4056 -1.2231 -1.2231 -1.1127 -1.1127 -0.9477 -0.9477 -0.8894 -0.8894 -0.6011 -0.6011 -0.5324 -0.5324 -0.2607 -0.2607 -0.2374 -0.2374 -0.2247 -0.2247 -0.2090 -0.2090 0.9872 0.9872 5.4427 5.4427 k = 0.3182 0.5000 0.8462 ( 11436 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5594 -14.5594 -14.2450 -14.2450 -14.2118 -14.2118 -14.2054 -14.2054 -12.1647 -12.1647 -12.1647 -12.1647 -4.8667 -4.8667 -4.3614 -4.3614 -3.9528 -3.9528 -3.2428 -3.2428 -3.1497 -3.1497 -2.9530 -2.9530 -2.8489 -2.8489 -2.8278 -2.8278 -2.3263 -2.3263 -2.2989 -2.2989 -2.1183 -2.1183 -1.4204 -1.4204 -1.2110 -1.2110 -1.0957 -1.0957 -0.9251 -0.9251 -0.8835 -0.8835 -0.6176 -0.6176 -0.5468 -0.5468 -0.2587 -0.2587 -0.2349 -0.2349 -0.2256 -0.2256 -0.2060 -0.2060 0.9698 0.9698 5.4500 5.4500 k = 0.3409 0.5000 0.8462 ( 11444 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5569 -14.5569 -14.2431 -14.2431 -14.2145 -14.2145 -14.2075 -14.2075 -12.1647 -12.1647 -12.1647 -12.1647 -4.8721 -4.8721 -4.3520 -4.3520 -3.9444 -3.9444 -3.2376 -3.2376 -3.1439 -3.1439 -2.9334 -2.9334 -2.8580 -2.8580 -2.8339 -2.8339 -2.3380 -2.3380 -2.2978 -2.2978 -2.1514 -2.1514 -1.4346 -1.4346 -1.1997 -1.1997 -1.0798 -1.0798 -0.9037 -0.9037 -0.8775 -0.8775 -0.6337 -0.6337 -0.5610 -0.5610 -0.2569 -0.2569 -0.2344 -0.2344 -0.2259 -0.2259 -0.2023 -0.2023 0.9535 0.9535 5.4569 5.4569 k = 0.3636 0.5000 0.8462 ( 11456 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5547 -14.5547 -14.2411 -14.2411 -14.2170 -14.2170 -14.2095 -14.2095 -12.1647 -12.1647 -12.1647 -12.1647 -4.8771 -4.8771 -4.3434 -4.3434 -3.9364 -3.9364 -3.2327 -3.2327 -3.1384 -3.1384 -2.9153 -2.9153 -2.8665 -2.8665 -2.8395 -2.8395 -2.3487 -2.3487 -2.2975 -2.2975 -2.1805 -2.1805 -1.4478 -1.4478 -1.1894 -1.1894 -1.0651 -1.0651 -0.8839 -0.8839 -0.8713 -0.8713 -0.6491 -0.6491 -0.5746 -0.5746 -0.2555 -0.2555 -0.2360 -0.2360 -0.2247 -0.2247 -0.1987 -0.1987 0.9387 0.9387 5.4632 5.4632 k = 0.3864 0.5000 0.8462 ( 11452 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5527 -14.5527 -14.2392 -14.2392 -14.2195 -14.2195 -14.2114 -14.2114 -12.1647 -12.1647 -12.1647 -12.1647 -4.8814 -4.8814 -4.3359 -4.3359 -3.9291 -3.9291 -3.2282 -3.2282 -3.1333 -3.1333 -2.8994 -2.8994 -2.8744 -2.8744 -2.8443 -2.8443 -2.3580 -2.3580 -2.2982 -2.2982 -2.2049 -2.2049 -1.4598 -1.4598 -1.1803 -1.1803 -1.0520 -1.0520 -0.8662 -0.8662 -0.8648 -0.8648 -0.6636 -0.6636 -0.5875 -0.5875 -0.2545 -0.2545 -0.2383 -0.2383 -0.2229 -0.2229 -0.1955 -0.1955 0.9257 0.9257 5.4688 5.4688 k = 0.4091 0.5000 0.8462 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5510 -14.5510 -14.2372 -14.2372 -14.2217 -14.2217 -14.2132 -14.2132 -12.1647 -12.1647 -12.1647 -12.1647 -4.8851 -4.8851 -4.3295 -4.3295 -3.9226 -3.9226 -3.2244 -3.2244 -3.1287 -3.1287 -2.8860 -2.8860 -2.8812 -2.8812 -2.8480 -2.8480 -2.3659 -2.3659 -2.3002 -2.3002 -2.2239 -2.2239 -1.4702 -1.4702 -1.1726 -1.1726 -1.0407 -1.0407 -0.8593 -0.8593 -0.8500 -0.8500 -0.6768 -0.6768 -0.5991 -0.5991 -0.2540 -0.2540 -0.2403 -0.2403 -0.2213 -0.2213 -0.1927 -0.1927 0.9146 0.9146 5.4736 5.4736 k = 0.4318 0.5000 0.8462 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5496 -14.5496 -14.2352 -14.2352 -14.2238 -14.2238 -14.2147 -14.2147 -12.1647 -12.1647 -12.1647 -12.1647 -4.8879 -4.8879 -4.3245 -4.3245 -3.9173 -3.9173 -3.2213 -3.2213 -3.1250 -3.1250 -2.8869 -2.8869 -2.8757 -2.8757 -2.8504 -2.8504 -2.3722 -2.3722 -2.3037 -2.3037 -2.2372 -2.2372 -1.4786 -1.4786 -1.1664 -1.1664 -1.0314 -1.0314 -0.8540 -0.8540 -0.8367 -0.8367 -0.6882 -0.6882 -0.6090 -0.6090 -0.2539 -0.2539 -0.2417 -0.2417 -0.2199 -0.2199 -0.1906 -0.1906 0.9059 0.9059 5.4774 5.4774 k = 0.4545 0.5000 0.8462 ( 11444 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5486 -14.5486 -14.2332 -14.2332 -14.2257 -14.2257 -14.2160 -14.2160 -12.1647 -12.1647 -12.1647 -12.1647 -4.8900 -4.8900 -4.3208 -4.3208 -3.9133 -3.9133 -3.2189 -3.2189 -3.1221 -3.1221 -2.8911 -2.8911 -2.8693 -2.8693 -2.8511 -2.8511 -2.3767 -2.3767 -2.3077 -2.3077 -2.2454 -2.2454 -1.4848 -1.4848 -1.1619 -1.1619 -1.0246 -1.0246 -0.8497 -0.8497 -0.8263 -0.8263 -0.6973 -0.6973 -0.6167 -0.6167 -0.2543 -0.2543 -0.2424 -0.2424 -0.2189 -0.2189 -0.1890 -0.1890 0.8995 0.8995 5.4802 5.4802 k = 0.4773 0.5000 0.8462 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5479 -14.5479 -14.2313 -14.2313 -14.2275 -14.2275 -14.2168 -14.2168 -12.1647 -12.1647 -12.1647 -12.1647 -4.8913 -4.8913 -4.3185 -4.3185 -3.9109 -3.9109 -3.2175 -3.2175 -3.1203 -3.1203 -2.8937 -2.8937 -2.8664 -2.8664 -2.8504 -2.8504 -2.3795 -2.3795 -2.3109 -2.3109 -2.2497 -2.2497 -1.4887 -1.4887 -1.1592 -1.1592 -1.0204 -1.0204 -0.8469 -0.8469 -0.8196 -0.8196 -0.7032 -0.7032 -0.6216 -0.6216 -0.2546 -0.2546 -0.2428 -0.2428 -0.2183 -0.2183 -0.1881 -0.1881 0.8956 0.8956 5.4819 5.4819 k = 0.5000 0.5000 0.8462 ( 11424 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5477 -14.5477 -14.2299 -14.2299 -14.2288 -14.2288 -14.2171 -14.2171 -12.1647 -12.1647 -12.1647 -12.1647 -4.8917 -4.8917 -4.3178 -4.3178 -3.9100 -3.9100 -3.2170 -3.2170 -3.1197 -3.1197 -2.8946 -2.8946 -2.8658 -2.8658 -2.8499 -2.8499 -2.3805 -2.3805 -2.3121 -2.3121 -2.2509 -2.2509 -1.4900 -1.4900 -1.1583 -1.1583 -1.0190 -1.0190 -0.8459 -0.8459 -0.8173 -0.8173 -0.7053 -0.7053 -0.6233 -0.6233 -0.2547 -0.2547 -0.2429 -0.2429 -0.2181 -0.2181 -0.1878 -0.1878 0.8943 0.8943 5.4825 5.4825 k = 0.5000 0.5000 0.8462 ( 11424 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5477 -14.5477 -14.2299 -14.2299 -14.2288 -14.2288 -14.2171 -14.2171 -12.1647 -12.1647 -12.1647 -12.1647 -4.8917 -4.8917 -4.3178 -4.3178 -3.9100 -3.9100 -3.2170 -3.2170 -3.1197 -3.1197 -2.8946 -2.8946 -2.8658 -2.8658 -2.8499 -2.8499 -2.3805 -2.3805 -2.3121 -2.3121 -2.2509 -2.2509 -1.4900 -1.4900 -1.1583 -1.1583 -1.0190 -1.0190 -0.8459 -0.8459 -0.8173 -0.8173 -0.7053 -0.7053 -0.6233 -0.6233 -0.2547 -0.2547 -0.2429 -0.2429 -0.2181 -0.2181 -0.1878 -0.1878 0.8943 0.8943 5.4825 5.4825 k = 0.4839 0.4839 0.8462 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5479 -14.5479 -14.2313 -14.2313 -14.2275 -14.2275 -14.2168 -14.2168 -12.1647 -12.1647 -12.1647 -12.1647 -4.8913 -4.8913 -4.3185 -4.3185 -3.9109 -3.9109 -3.2175 -3.2175 -3.1203 -3.1203 -2.8937 -2.8937 -2.8664 -2.8664 -2.8505 -2.8505 -2.3795 -2.3795 -2.3108 -2.3108 -2.2497 -2.2497 -1.4887 -1.4887 -1.1592 -1.1592 -1.0204 -1.0204 -0.8470 -0.8470 -0.8196 -0.8196 -0.7033 -0.7033 -0.6216 -0.6216 -0.2547 -0.2547 -0.2427 -0.2427 -0.2184 -0.2184 -0.1881 -0.1881 0.8956 0.8956 5.4819 5.4819 k = 0.4677 0.4677 0.8462 ( 11450 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5486 -14.5486 -14.2330 -14.2330 -14.2259 -14.2259 -14.2159 -14.2159 -12.1648 -12.1648 -12.1646 -12.1646 -4.8900 -4.8900 -4.3208 -4.3208 -3.9134 -3.9134 -3.2190 -3.2190 -3.1221 -3.1221 -2.8911 -2.8911 -2.8682 -2.8682 -2.8523 -2.8523 -2.3767 -2.3767 -2.3071 -2.3071 -2.2459 -2.2459 -1.4848 -1.4848 -1.1620 -1.1620 -1.0246 -1.0246 -0.8499 -0.8499 -0.8260 -0.8260 -0.6980 -0.6980 -0.6162 -0.6162 -0.2557 -0.2557 -0.2410 -0.2410 -0.2193 -0.2193 -0.1887 -0.1887 0.8996 0.8996 5.4802 5.4802 k = 0.4516 0.4516 0.8462 ( 11462 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5496 -14.5496 -14.2346 -14.2346 -14.2247 -14.2247 -14.2143 -14.2143 -12.1649 -12.1649 -12.1645 -12.1645 -4.8879 -4.8879 -4.3246 -4.3246 -3.9175 -3.9175 -3.2213 -3.2213 -3.1251 -3.1251 -2.8867 -2.8867 -2.8712 -2.8712 -2.8551 -2.8551 -2.3721 -2.3721 -2.3009 -2.3009 -2.2397 -2.2397 -1.4784 -1.4784 -1.1665 -1.1665 -1.0314 -1.0314 -0.8549 -0.8549 -0.8350 -0.8350 -0.6916 -0.6916 -0.6066 -0.6066 -0.2593 -0.2593 -0.2365 -0.2365 -0.2214 -0.2214 -0.1892 -0.1892 0.9060 0.9060 5.4773 5.4773 k = 0.4355 0.4355 0.8462 ( 11446 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5511 -14.5511 -14.2361 -14.2361 -14.2237 -14.2237 -14.2122 -14.2122 -12.1650 -12.1650 -12.1644 -12.1644 -4.8849 -4.8849 -4.3297 -4.3297 -3.9232 -3.9232 -3.2246 -3.2246 -3.1290 -3.1290 -2.8808 -2.8808 -2.8753 -2.8753 -2.8591 -2.8591 -2.3656 -2.3656 -2.2924 -2.2924 -2.2309 -2.2309 -1.4696 -1.4696 -1.1728 -1.1728 -1.0403 -1.0403 -0.8622 -0.8622 -0.8449 -0.8449 -0.6855 -0.6855 -0.5925 -0.5925 -0.2656 -0.2656 -0.2294 -0.2294 -0.2255 -0.2255 -0.1885 -0.1885 0.9150 0.9150 5.4732 5.4732 k = 0.4194 0.4194 0.8462 ( 11446 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5529 -14.5529 -14.2372 -14.2372 -14.2230 -14.2230 -14.2096 -14.2096 -12.1652 -12.1652 -12.1642 -12.1642 -4.8812 -4.8812 -4.3363 -4.3363 -3.9303 -3.9303 -3.2286 -3.2286 -3.1339 -3.1339 -2.8805 -2.8805 -2.8736 -2.8736 -2.8640 -2.8640 -2.3574 -2.3574 -2.2817 -2.2817 -2.2197 -2.2197 -1.4586 -1.4586 -1.1807 -1.1807 -1.0510 -1.0510 -0.8727 -0.8727 -0.8542 -0.8542 -0.6806 -0.6806 -0.5744 -0.5744 -0.2741 -0.2741 -0.2327 -0.2327 -0.2196 -0.2196 -0.1862 -0.1862 0.9262 0.9262 5.4680 5.4680 k = 0.4032 0.4032 0.8462 ( 11450 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5551 -14.5551 -14.2381 -14.2381 -14.2224 -14.2224 -14.2067 -14.2067 -12.1655 -12.1655 -12.1639 -12.1639 -4.8767 -4.8767 -4.3441 -4.3441 -3.9389 -3.9389 -3.2334 -3.2334 -3.1395 -3.1395 -2.8866 -2.8866 -2.8702 -2.8702 -2.8647 -2.8647 -2.3475 -2.3475 -2.2689 -2.2689 -2.2060 -2.2060 -1.4455 -1.4455 -1.1900 -1.1900 -1.0632 -1.0632 -0.8865 -0.8865 -0.8622 -0.8622 -0.6770 -0.6770 -0.5530 -0.5530 -0.2847 -0.2847 -0.2419 -0.2419 -0.2088 -0.2088 -0.1823 -0.1823 0.9397 0.9397 5.4617 5.4617 k = 0.3871 0.3871 0.8462 ( 11444 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5576 -14.5576 -14.2388 -14.2388 -14.2219 -14.2219 -14.2037 -14.2037 -12.1657 -12.1657 -12.1637 -12.1637 -4.8714 -4.8714 -4.3531 -4.3531 -3.9486 -3.9486 -3.2389 -3.2389 -3.1458 -3.1458 -2.8936 -2.8936 -2.8768 -2.8768 -2.8551 -2.8551 -2.3360 -2.3360 -2.2542 -2.2542 -2.1899 -2.1899 -1.4306 -1.4306 -1.2005 -1.2005 -1.0765 -1.0765 -0.9027 -0.9027 -0.8694 -0.8694 -0.6743 -0.6743 -0.5291 -0.5291 -0.2972 -0.2972 -0.2535 -0.2535 -0.1972 -0.1972 -0.1767 -0.1767 0.9551 0.9551 5.4542 5.4542 k = 0.3710 0.3710 0.8462 ( 11442 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5604 -14.5604 -14.2392 -14.2392 -14.2214 -14.2214 -14.2005 -14.2005 -12.1660 -12.1660 -12.1634 -12.1634 -4.8655 -4.8655 -4.3631 -4.3631 -3.9595 -3.9595 -3.2448 -3.2448 -3.1526 -3.1526 -2.9013 -2.9013 -2.8842 -2.8842 -2.8444 -2.8444 -2.3230 -2.3230 -2.2378 -2.2378 -2.1714 -2.1714 -1.4141 -1.4141 -1.2121 -1.2121 -1.0907 -1.0907 -0.9204 -0.9204 -0.8762 -0.8762 -0.6723 -0.6723 -0.5034 -0.5034 -0.3115 -0.3115 -0.2671 -0.2671 -0.1858 -0.1858 -0.1688 -0.1688 0.9723 0.9723 5.4457 5.4457 k = 0.3548 0.3548 0.8462 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5634 -14.5634 -14.2393 -14.2393 -14.2209 -14.2209 -14.1973 -14.1973 -12.1664 -12.1664 -12.1630 -12.1630 -4.8590 -4.8590 -4.3741 -4.3741 -3.9713 -3.9713 -3.2512 -3.2512 -3.1598 -3.1598 -2.9097 -2.9097 -2.8922 -2.8922 -2.8329 -2.8329 -2.3086 -2.3086 -2.2198 -2.2198 -2.1506 -2.1506 -1.3964 -1.3964 -1.2245 -1.2245 -1.1057 -1.1057 -0.9393 -0.9393 -0.8829 -0.8829 -0.6707 -0.6707 -0.4765 -0.4765 -0.3276 -0.3276 -0.2824 -0.2824 -0.1759 -0.1759 -0.1579 -0.1579 0.9911 0.9911 5.4360 5.4360 k = 0.3387 0.3387 0.8462 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5667 -14.5667 -14.2392 -14.2392 -14.2205 -14.2205 -14.1940 -14.1940 -12.1667 -12.1667 -12.1627 -12.1627 -4.8519 -4.8519 -4.3859 -4.3859 -3.9838 -3.9838 -3.2579 -3.2579 -3.1674 -3.1674 -2.9186 -2.9186 -2.9008 -2.9008 -2.8207 -2.8207 -2.2929 -2.2929 -2.2005 -2.2005 -2.1275 -2.1275 -1.3776 -1.3776 -1.2375 -1.2375 -1.1213 -1.1213 -0.9590 -0.9590 -0.8893 -0.8893 -0.6694 -0.6694 -0.4489 -0.4489 -0.3453 -0.3453 -0.2994 -0.2994 -0.1675 -0.1675 -0.1443 -0.1443 1.0111 1.0111 5.4254 5.4254 k = 0.3226 0.3226 0.8462 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5701 -14.5701 -14.2388 -14.2388 -14.2200 -14.2200 -14.1908 -14.1908 -12.1671 -12.1671 -12.1623 -12.1623 -4.8443 -4.8443 -4.3984 -4.3984 -3.9970 -3.9970 -3.2648 -3.2648 -3.1752 -3.1752 -2.9278 -2.9278 -2.9098 -2.9098 -2.8079 -2.8079 -2.2760 -2.2760 -2.1799 -2.1799 -2.1022 -2.1022 -1.3583 -1.3583 -1.2507 -1.2507 -1.1373 -1.1373 -0.9794 -0.9794 -0.8956 -0.8956 -0.6684 -0.6684 -0.4209 -0.4209 -0.3645 -0.3645 -0.3177 -0.3177 -0.1597 -0.1597 -0.1293 -0.1293 1.0322 1.0322 5.4138 5.4138 k = 0.3065 0.3065 0.8462 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5737 -14.5737 -14.2382 -14.2382 -14.2195 -14.2195 -14.1877 -14.1877 -12.1675 -12.1675 -12.1619 -12.1619 -4.8362 -4.8362 -4.4115 -4.4115 -4.0107 -4.0107 -3.2719 -3.2719 -3.1832 -3.1832 -2.9373 -2.9373 -2.9190 -2.9190 -2.7946 -2.7946 -2.2580 -2.2580 -2.1583 -2.1583 -2.0750 -2.0750 -1.3390 -1.3390 -1.2640 -1.2640 -1.1536 -1.1536 -1.0001 -1.0001 -0.9018 -0.9018 -0.6674 -0.6674 -0.3938 -0.3938 -0.3843 -0.3843 -0.3373 -0.3373 -0.1523 -0.1523 -0.1137 -0.1137 1.0541 1.0541 5.4014 5.4014 k = 0.2903 0.2903 0.8462 ( 11464 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5774 -14.5774 -14.2374 -14.2374 -14.2189 -14.2189 -14.1847 -14.1847 -12.1679 -12.1679 -12.1615 -12.1615 -4.8279 -4.8279 -4.4249 -4.4249 -4.0248 -4.0248 -3.2791 -3.2791 -3.1912 -3.1912 -2.9470 -2.9470 -2.9284 -2.9284 -2.7810 -2.7810 -2.2391 -2.2391 -2.1358 -2.1358 -2.0458 -2.0458 -1.3207 -1.3207 -1.2765 -1.2765 -1.1698 -1.1698 -1.0210 -1.0210 -0.9079 -0.9079 -0.6667 -0.6667 -0.4080 -0.4080 -0.3646 -0.3646 -0.3575 -0.3575 -0.1449 -0.1449 -0.0977 -0.0977 1.0765 1.0765 5.3882 5.3882 k = 0.2742 0.2742 0.8462 ( 11460 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5811 -14.5811 -14.2364 -14.2364 -14.2184 -14.2184 -14.1818 -14.1818 -12.1683 -12.1683 -12.1611 -12.1611 -4.8192 -4.8192 -4.4386 -4.4386 -4.0389 -4.0389 -3.2863 -3.2863 -3.1993 -3.1993 -2.9567 -2.9567 -2.9379 -2.9379 -2.7671 -2.7671 -2.2194 -2.2194 -2.1124 -2.1124 -2.0150 -2.0150 -1.3076 -1.3076 -1.2852 -1.2852 -1.1850 -1.1850 -1.0419 -1.0419 -0.9137 -0.9137 -0.6660 -0.6660 -0.4314 -0.4314 -0.3796 -0.3796 -0.3365 -0.3365 -0.1376 -0.1376 -0.0817 -0.0817 1.0993 1.0993 5.3744 5.3744 k = 0.2581 0.2581 0.8462 ( 11452 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5849 -14.5849 -14.2353 -14.2353 -14.2178 -14.2178 -14.1790 -14.1790 -12.1687 -12.1687 -12.1607 -12.1607 -4.8104 -4.8104 -4.4524 -4.4524 -4.0531 -4.0531 -3.2933 -3.2933 -3.2073 -3.2073 -2.9663 -2.9663 -2.9474 -2.9474 -2.7531 -2.7531 -2.1990 -2.1990 -2.0884 -2.0884 -1.9827 -1.9827 -1.3107 -1.3107 -1.2812 -1.2812 -1.1975 -1.1975 -1.0625 -1.0625 -0.9194 -0.9194 -0.6654 -0.6654 -0.4561 -0.4561 -0.4018 -0.4018 -0.3094 -0.3094 -0.1304 -0.1304 -0.0659 -0.0659 1.1220 1.1220 5.3601 5.3601 k = 0.2419 0.2419 0.8462 ( 11464 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5886 -14.5886 -14.2341 -14.2341 -14.2172 -14.2172 -14.1764 -14.1764 -12.1692 -12.1692 -12.1602 -12.1602 -4.8015 -4.8015 -4.4662 -4.4662 -4.0671 -4.0671 -3.3003 -3.3003 -3.2152 -3.2152 -2.9757 -2.9757 -2.9567 -2.9567 -2.7391 -2.7391 -2.1781 -2.1781 -2.0638 -2.0638 -1.9492 -1.9492 -1.3218 -1.3218 -1.2766 -1.2766 -1.2031 -1.2031 -1.0827 -1.0827 -0.9249 -0.9249 -0.6648 -0.6648 -0.4819 -0.4819 -0.4245 -0.4245 -0.2830 -0.2830 -0.1233 -0.1233 -0.0504 -0.0504 1.1445 1.1445 5.3454 5.3454 k = 0.2258 0.2258 0.8462 ( 11460 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5923 -14.5923 -14.2328 -14.2328 -14.2166 -14.2166 -14.1739 -14.1739 -12.1696 -12.1696 -12.1598 -12.1598 -4.7925 -4.7925 -4.4797 -4.4797 -4.0808 -4.0808 -3.3070 -3.3070 -3.2228 -3.2228 -2.9849 -2.9849 -2.9658 -2.9658 -2.7251 -2.7251 -2.1568 -2.1568 -2.0386 -2.0386 -1.9147 -1.9147 -1.3339 -1.3339 -1.2819 -1.2819 -1.1987 -1.1987 -1.1020 -1.1020 -0.9301 -0.9301 -0.6643 -0.6643 -0.5086 -0.5086 -0.4475 -0.4475 -0.2574 -0.2574 -0.1165 -0.1165 -0.0353 -0.0353 1.1666 1.1666 5.3306 5.3306 k = 0.2097 0.2097 0.8462 ( 11456 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5959 -14.5959 -14.2314 -14.2314 -14.2160 -14.2160 -14.1716 -14.1716 -12.1700 -12.1700 -12.1594 -12.1594 -4.7837 -4.7837 -4.4930 -4.4930 -4.0942 -4.0942 -3.3135 -3.3135 -3.2302 -3.2302 -2.9938 -2.9938 -2.9746 -2.9746 -2.7114 -2.7114 -2.1353 -2.1353 -2.0130 -2.0130 -1.8795 -1.8795 -1.3459 -1.3459 -1.2955 -1.2955 -1.1877 -1.1877 -1.1199 -1.1199 -0.9352 -0.9352 -0.6639 -0.6639 -0.5360 -0.5360 -0.4704 -0.4704 -0.2330 -0.2330 -0.1098 -0.1098 -0.0208 -0.0208 1.1880 1.1880 5.3158 5.3158 k = 0.1935 0.1935 0.8462 ( 11444 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5994 -14.5994 -14.2300 -14.2300 -14.2154 -14.2154 -14.1696 -14.1696 -12.1704 -12.1704 -12.1590 -12.1590 -4.7750 -4.7750 -4.5059 -4.5059 -4.1070 -4.1070 -3.3198 -3.3198 -3.2373 -3.2373 -3.0023 -3.0023 -2.9831 -2.9831 -2.6980 -2.6980 -2.1139 -2.1139 -1.9871 -1.9871 -1.8439 -1.8439 -1.3576 -1.3576 -1.3134 -1.3134 -1.1763 -1.1763 -1.1343 -1.1343 -0.9399 -0.9399 -0.6636 -0.6636 -0.5640 -0.5640 -0.4932 -0.4932 -0.2097 -0.2097 -0.1035 -0.1035 -0.0070 -0.0070 1.2086 1.2086 5.3011 5.3011 k = 0.1774 0.1774 0.8462 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6027 -14.6027 -14.2286 -14.2286 -14.2147 -14.2147 -14.1677 -14.1677 -12.1708 -12.1708 -12.1586 -12.1586 -4.7666 -4.7666 -4.5182 -4.5182 -4.1192 -4.1192 -3.3257 -3.3257 -3.2440 -3.2440 -3.0103 -3.0103 -2.9911 -2.9911 -2.6850 -2.6850 -2.0926 -2.0926 -1.9610 -1.9610 -1.8082 -1.8082 -1.3690 -1.3690 -1.3333 -1.3333 -1.1739 -1.1739 -1.1381 -1.1381 -0.9445 -0.9445 -0.6634 -0.6634 -0.5922 -0.5922 -0.5155 -0.5155 -0.1877 -0.1877 -0.0976 -0.0976 0.0061 0.0061 1.2281 1.2281 5.2868 5.2868 k = 0.1613 0.1613 0.8462 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6058 -14.6058 -14.2273 -14.2273 -14.2140 -14.2140 -14.1660 -14.1660 -12.1712 -12.1712 -12.1582 -12.1582 -4.7586 -4.7586 -4.5298 -4.5298 -4.1306 -4.1306 -3.3312 -3.3312 -3.2503 -3.2503 -3.0177 -3.0177 -2.9986 -2.9986 -2.6727 -2.6727 -2.0718 -2.0718 -1.9347 -1.9347 -1.7728 -1.7728 -1.3798 -1.3798 -1.3543 -1.3543 -1.1837 -1.1837 -1.1287 -1.1287 -0.9487 -0.9487 -0.6635 -0.6635 -0.6202 -0.6202 -0.5371 -0.5371 -0.1673 -0.1673 -0.0920 -0.0920 0.0183 0.0183 1.2464 1.2464 5.2731 5.2731 k = 0.1452 0.1452 0.8462 ( 11450 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.6087 -14.6087 -14.2260 -14.2260 -14.2133 -14.2133 -14.1645 -14.1645 -12.1716 -12.1716 -12.1578 -12.1578 -4.7511 -4.7511 -4.5406 -4.5406 -4.1413 -4.1413 -3.3363 -3.3363 -3.2561 -3.2561 -3.0247 -3.0247 -3.0055 -3.0055 -2.6610 -2.6610 -2.0516 -2.0516 -1.9085 -1.9085 -1.7380 -1.7380 -1.3903 -1.3903 -1.3757 -1.3757 -1.1970 -1.1970 -1.1156 -1.1156 -0.9526 -0.9526 -0.6655 -0.6655 -0.6464 -0.6464 -0.5576 -0.5576 -0.1484 -0.1484 -0.0869 -0.0869 0.0297 0.0297 1.2634 1.2634 5.2600 5.2600 k = 0.1290 0.1290 0.8462 ( 11442 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6113 -14.6113 -14.2249 -14.2249 -14.2126 -14.2126 -14.1631 -14.1631 -12.1719 -12.1719 -12.1575 -12.1575 -4.7441 -4.7441 -4.5506 -4.5506 -4.1510 -4.1510 -3.3410 -3.3410 -3.2614 -3.2614 -3.0310 -3.0310 -3.0119 -3.0119 -2.6502 -2.6502 -2.0324 -2.0324 -1.8823 -1.8823 -1.7045 -1.7045 -1.4018 -1.4018 -1.3958 -1.3958 -1.2102 -1.2102 -1.1024 -1.1024 -0.9561 -0.9561 -0.6807 -0.6807 -0.6588 -0.6588 -0.5770 -0.5770 -0.1312 -0.1312 -0.0822 -0.0822 0.0400 0.0400 1.2789 1.2789 5.2478 5.2478 k = 0.1129 0.1129 0.8462 ( 11438 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6137 -14.6137 -14.2239 -14.2239 -14.2119 -14.2119 -14.1620 -14.1620 -12.1722 -12.1722 -12.1572 -12.1572 -4.7377 -4.7377 -4.5596 -4.5596 -4.1597 -4.1597 -3.3452 -3.3452 -3.2661 -3.2661 -3.0366 -3.0366 -3.0176 -3.0176 -2.6403 -2.6403 -2.0143 -2.0143 -1.8565 -1.8565 -1.6729 -1.6729 -1.4208 -1.4208 -1.4075 -1.4075 -1.2224 -1.2224 -1.0900 -1.0900 -0.9592 -0.9592 -0.7059 -0.7059 -0.6603 -0.6603 -0.5948 -0.5948 -0.1158 -0.1158 -0.0780 -0.0780 0.0493 0.0493 1.2928 1.2928 5.2367 5.2367 k = 0.0968 0.0968 0.8462 ( 11446 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6158 -14.6158 -14.2230 -14.2230 -14.2112 -14.2112 -14.1610 -14.1610 -12.1725 -12.1725 -12.1569 -12.1569 -4.7320 -4.7320 -4.5676 -4.5676 -4.1674 -4.1674 -3.3490 -3.3490 -3.2703 -3.2703 -3.0416 -3.0416 -3.0226 -3.0226 -2.6315 -2.6315 -1.9977 -1.9977 -1.8312 -1.8312 -1.6438 -1.6438 -1.4416 -1.4416 -1.4160 -1.4160 -1.2333 -1.2333 -1.0790 -1.0790 -0.9620 -0.9620 -0.7309 -0.7309 -0.6607 -0.6607 -0.6107 -0.6107 -0.1022 -0.1022 -0.0743 -0.0743 0.0575 0.0575 1.3050 1.3050 5.2267 5.2267 k = 0.0806 0.0806 0.8462 ( 11434 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6177 -14.6177 -14.2222 -14.2222 -14.2105 -14.2105 -14.1602 -14.1602 -12.1727 -12.1727 -12.1567 -12.1567 -4.7271 -4.7271 -4.5744 -4.5744 -4.1740 -4.1740 -3.3522 -3.3522 -3.2738 -3.2738 -3.0458 -3.0458 -3.0268 -3.0268 -2.6238 -2.6238 -1.9829 -1.9829 -1.8068 -1.8068 -1.6186 -1.6186 -1.4611 -1.4611 -1.4234 -1.4234 -1.2428 -1.2428 -1.0695 -1.0695 -0.9643 -0.9643 -0.7540 -0.7540 -0.6610 -0.6610 -0.6246 -0.6246 -0.0906 -0.0906 -0.0712 -0.0712 0.0645 0.0645 1.3154 1.3154 5.2180 5.2180 k = 0.0645 0.0645 0.8462 ( 11436 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6192 -14.6192 -14.2216 -14.2216 -14.2099 -14.2099 -14.1596 -14.1596 -12.1729 -12.1729 -12.1565 -12.1565 -4.7230 -4.7230 -4.5801 -4.5801 -4.1795 -4.1795 -3.3548 -3.3548 -3.2768 -3.2768 -3.0493 -3.0493 -3.0304 -3.0304 -2.6174 -2.6174 -1.9703 -1.9703 -1.7837 -1.7837 -1.5985 -1.5985 -1.4779 -1.4779 -1.4298 -1.4298 -1.2506 -1.2506 -1.0616 -1.0616 -0.9662 -0.9662 -0.7745 -0.7745 -0.6614 -0.6614 -0.6359 -0.6359 -0.0811 -0.0811 -0.0685 -0.0685 0.0703 0.0703 1.3241 1.3241 5.2108 5.2108 k = 0.0484 0.0484 0.8462 ( 11430 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6203 -14.6203 -14.2212 -14.2212 -14.2095 -14.2095 -14.1591 -14.1591 -12.1730 -12.1730 -12.1564 -12.1564 -4.7197 -4.7197 -4.5845 -4.5845 -4.1838 -4.1838 -3.3569 -3.3569 -3.2790 -3.2790 -3.0521 -3.0521 -3.0331 -3.0331 -2.6124 -2.6124 -1.9601 -1.9601 -1.7629 -1.7629 -1.5857 -1.5857 -1.4900 -1.4900 -1.4351 -1.4351 -1.2568 -1.2568 -1.0555 -1.0555 -0.9677 -0.9677 -0.7915 -0.7915 -0.6623 -0.6623 -0.6445 -0.6445 -0.0736 -0.0736 -0.0665 -0.0665 0.0749 0.0749 1.3308 1.3308 5.2050 5.2050 k = 0.0323 0.0323 0.8462 ( 11418 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6212 -14.6212 -14.2208 -14.2208 -14.2091 -14.2091 -14.1587 -14.1587 -12.1731 -12.1731 -12.1563 -12.1563 -4.7173 -4.7173 -4.5878 -4.5878 -4.1868 -4.1868 -3.3584 -3.3584 -3.2807 -3.2807 -3.0541 -3.0541 -3.0351 -3.0351 -2.6087 -2.6087 -1.9525 -1.9525 -1.7455 -1.7455 -1.5808 -1.5808 -1.4960 -1.4960 -1.4390 -1.4390 -1.2613 -1.2613 -1.0511 -1.0511 -0.9687 -0.9687 -0.8044 -0.8044 -0.6637 -0.6637 -0.6499 -0.6499 -0.0682 -0.0682 -0.0650 -0.0650 0.0782 0.0782 1.3357 1.3357 5.2009 5.2009 k = 0.0161 0.0161 0.8462 ( 11402 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6217 -14.6217 -14.2206 -14.2206 -14.2089 -14.2089 -14.1585 -14.1585 -12.1732 -12.1732 -12.1562 -12.1562 -4.7159 -4.7159 -4.5897 -4.5897 -4.1887 -4.1887 -3.3593 -3.3593 -3.2817 -3.2817 -3.0553 -3.0553 -3.0363 -3.0363 -2.6065 -2.6065 -1.9479 -1.9479 -1.7335 -1.7335 -1.5813 -1.5813 -1.4973 -1.4973 -1.4415 -1.4415 -1.2640 -1.2640 -1.0484 -1.0484 -0.9693 -0.9693 -0.8124 -0.8124 -0.6652 -0.6652 -0.6525 -0.6525 -0.0651 -0.0651 -0.0640 -0.0640 0.0802 0.0802 1.3386 1.3386 5.1984 5.1984 k = 0.0000 0.0000 0.8462 ( 11396 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5128 -48.5128 -14.6219 -14.6219 -14.2206 -14.2206 -14.2088 -14.2088 -14.1585 -14.1585 -12.1732 -12.1732 -12.1562 -12.1562 -4.7154 -4.7154 -4.5903 -4.5903 -4.1893 -4.1893 -3.3596 -3.3596 -3.2820 -3.2820 -3.0557 -3.0557 -3.0367 -3.0367 -2.6058 -2.6058 -1.9464 -1.9464 -1.7291 -1.7291 -1.5823 -1.5823 -1.4972 -1.4972 -1.4423 -1.4423 -1.2649 -1.2649 -1.0476 -1.0476 -0.9695 -0.9695 -0.8151 -0.8151 -0.6659 -0.6659 -0.6532 -0.6532 -0.0642 -0.0642 -0.0635 -0.0635 0.0808 0.0808 1.3396 1.3396 5.1975 5.1975 k = 0.0000 0.5000-0.0000 ( 11430 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6447 -14.6447 -14.3226 -14.3226 -14.2263 -14.2263 -14.2166 -14.2166 -12.1591 -12.1591 -12.1505 -12.1505 -4.8262 -4.8262 -4.4937 -4.4937 -4.0145 -4.0145 -3.2576 -3.2576 -2.9947 -2.9947 -2.8608 -2.8608 -2.8603 -2.8603 -2.1809 -2.1809 -2.0298 -2.0298 -1.7191 -1.7191 -1.5946 -1.5946 -1.5906 -1.5906 -1.5695 -1.5695 -1.2382 -1.2382 -1.0136 -1.0136 -0.7209 -0.7209 -0.4885 -0.4885 -0.4233 -0.4233 -0.3751 -0.3751 -0.3639 -0.3639 -0.3226 -0.3226 -0.2747 -0.2747 1.1370 1.1370 5.5309 5.5309 k = 0.0000 0.5000 0.0229 ( 11430 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6446 -14.6446 -14.3225 -14.3225 -14.2262 -14.2262 -14.2165 -14.2165 -12.1591 -12.1591 -12.1505 -12.1505 -4.8261 -4.8261 -4.4936 -4.4936 -4.0145 -4.0145 -3.2575 -3.2575 -2.9953 -2.9953 -2.8652 -2.8652 -2.8563 -2.8563 -2.1824 -2.1824 -2.0305 -2.0305 -1.7188 -1.7188 -1.6003 -1.6003 -1.5884 -1.5884 -1.5653 -1.5653 -1.2381 -1.2381 -1.0134 -1.0134 -0.7220 -0.7220 -0.4911 -0.4911 -0.4343 -0.4343 -0.3673 -0.3673 -0.3605 -0.3605 -0.3223 -0.3223 -0.2725 -0.2725 1.1371 1.1371 5.5314 5.5314 k = 0.0000 0.5000 0.0457 ( 11410 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6443 -14.6443 -14.3222 -14.3222 -14.2260 -14.2260 -14.2163 -14.2163 -12.1592 -12.1592 -12.1506 -12.1506 -4.8260 -4.8260 -4.4935 -4.4935 -4.0146 -4.0146 -3.2571 -3.2571 -2.9970 -2.9970 -2.8704 -2.8704 -2.8524 -2.8524 -2.1869 -2.1869 -2.0325 -2.0325 -1.7180 -1.7180 -1.6113 -1.6113 -1.5838 -1.5838 -1.5567 -1.5567 -1.2380 -1.2380 -1.0126 -1.0126 -0.7255 -0.7255 -0.4985 -0.4985 -0.4557 -0.4557 -0.3631 -0.3631 -0.3426 -0.3426 -0.3213 -0.3213 -0.2662 -0.2662 1.1372 1.1372 5.5329 5.5329 k = 0.0000 0.5000 0.0686 ( 11418 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6437 -14.6437 -14.3216 -14.3216 -14.2257 -14.2257 -14.2160 -14.2160 -12.1592 -12.1592 -12.1507 -12.1507 -4.8257 -4.8257 -4.4932 -4.4932 -4.0148 -4.0148 -3.2564 -3.2564 -2.9998 -2.9998 -2.8762 -2.8762 -2.8488 -2.8488 -2.1943 -2.1943 -2.0357 -2.0357 -1.7166 -1.7166 -1.6243 -1.6243 -1.5768 -1.5768 -1.5473 -1.5473 -1.2378 -1.2378 -1.0115 -1.0115 -0.7312 -0.7312 -0.5097 -0.5097 -0.4794 -0.4794 -0.3598 -0.3598 -0.3253 -0.3253 -0.3156 -0.3156 -0.2566 -0.2566 1.1373 1.1373 5.5354 5.5354 k = 0.0000 0.5000 0.0915 ( 11414 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6430 -14.6430 -14.3209 -14.3209 -14.2253 -14.2253 -14.2155 -14.2155 -12.1593 -12.1593 -12.1508 -12.1508 -4.8254 -4.8254 -4.4929 -4.4929 -4.0150 -4.0150 -3.2554 -3.2554 -3.0037 -3.0037 -2.8826 -2.8826 -2.8454 -2.8454 -2.2045 -2.2045 -2.0400 -2.0400 -1.7146 -1.7146 -1.6387 -1.6387 -1.5673 -1.5673 -1.5379 -1.5379 -1.2376 -1.2376 -1.0101 -1.0101 -0.7388 -0.7388 -0.5235 -0.5235 -0.5036 -0.5036 -0.3556 -0.3556 -0.3221 -0.3221 -0.2958 -0.2958 -0.2445 -0.2445 1.1376 1.1376 5.5388 5.5388 k = 0.0000 0.5000 0.1144 ( 11392 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6421 -14.6421 -14.3199 -14.3199 -14.2248 -14.2248 -14.2150 -14.2150 -12.1593 -12.1593 -12.1510 -12.1510 -4.8250 -4.8250 -4.4924 -4.4924 -4.0153 -4.0153 -3.2541 -3.2541 -3.0086 -3.0086 -2.8899 -2.8899 -2.8420 -2.8420 -2.2171 -2.2171 -2.0454 -2.0454 -1.7122 -1.7122 -1.6542 -1.6542 -1.5556 -1.5556 -1.5285 -1.5285 -1.2376 -1.2376 -1.0085 -1.0085 -0.7483 -0.7483 -0.5388 -0.5388 -0.5273 -0.5273 -0.3506 -0.3506 -0.3211 -0.3211 -0.2743 -0.2743 -0.2309 -0.2309 1.1379 1.1379 5.5431 5.5431 k = 0.0000 0.5000 0.1372 ( 11400 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6409 -14.6409 -14.3187 -14.3187 -14.2242 -14.2242 -14.2143 -14.2143 -12.1594 -12.1594 -12.1513 -12.1513 -4.8245 -4.8245 -4.4919 -4.4919 -4.0157 -4.0157 -3.2526 -3.2526 -3.0145 -3.0145 -2.8979 -2.8979 -2.8387 -2.8387 -2.2320 -2.2320 -2.0517 -2.0517 -1.7093 -1.7093 -1.6706 -1.6706 -1.5423 -1.5423 -1.5192 -1.5192 -1.2378 -1.2378 -1.0070 -1.0070 -0.7593 -0.7593 -0.5549 -0.5549 -0.5503 -0.5503 -0.3452 -0.3452 -0.3205 -0.3205 -0.2535 -0.2535 -0.2165 -0.2165 1.1383 1.1383 5.5480 5.5480 k = 0.0000 0.5000 0.1601 ( 11402 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6396 -14.6396 -14.3173 -14.3173 -14.2235 -14.2235 -14.2134 -14.2134 -12.1595 -12.1595 -12.1516 -12.1516 -4.8240 -4.8240 -4.4912 -4.4912 -4.0161 -4.0161 -3.2508 -3.2508 -3.0213 -3.0213 -2.9066 -2.9066 -2.8355 -2.8355 -2.2489 -2.2489 -2.0589 -2.0589 -1.7066 -1.7066 -1.6872 -1.6872 -1.5274 -1.5274 -1.5100 -1.5100 -1.2385 -1.2385 -1.0056 -1.0056 -0.7716 -0.7716 -0.5721 -0.5721 -0.5707 -0.5707 -0.3394 -0.3394 -0.3200 -0.3200 -0.2339 -0.2339 -0.2018 -0.2018 1.1388 1.1388 5.5534 5.5534 k = 0.0000 0.5000 0.1830 ( 11402 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6381 -14.6381 -14.3158 -14.3158 -14.2227 -14.2227 -14.2125 -14.2125 -12.1596 -12.1596 -12.1519 -12.1519 -4.8233 -4.8233 -4.4905 -4.4905 -4.0166 -4.0166 -3.2488 -3.2488 -3.0290 -3.0290 -2.9162 -2.9162 -2.8322 -2.8322 -2.2675 -2.2675 -2.0668 -2.0668 -1.7111 -1.7111 -1.6970 -1.6970 -1.5115 -1.5115 -1.5006 -1.5006 -1.2397 -1.2397 -1.0048 -1.0048 -0.7849 -0.7849 -0.5922 -0.5922 -0.5858 -0.5858 -0.3337 -0.3337 -0.3195 -0.3195 -0.2157 -0.2157 -0.1872 -0.1872 1.1393 1.1393 5.5593 5.5593 k = 0.0000 0.5000 0.2058 ( 11416 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6365 -14.6365 -14.3140 -14.3140 -14.2218 -14.2218 -14.2115 -14.2115 -12.1597 -12.1597 -12.1523 -12.1523 -4.8226 -4.8226 -4.4897 -4.4897 -4.0171 -4.0171 -3.2466 -3.2466 -3.0374 -3.0374 -2.9265 -2.9265 -2.8288 -2.8288 -2.2875 -2.2875 -2.0754 -2.0754 -1.7285 -1.7285 -1.6944 -1.6944 -1.4960 -1.4960 -1.4901 -1.4901 -1.2418 -1.2418 -1.0046 -1.0046 -0.7992 -0.7992 -0.6106 -0.6106 -0.5994 -0.5994 -0.3284 -0.3284 -0.3187 -0.3187 -0.1990 -0.1990 -0.1729 -0.1729 1.1398 1.1398 5.5653 5.5653 k = 0.0000 0.5000 0.2287 ( 11412 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6346 -14.6346 -14.3121 -14.3121 -14.2208 -14.2208 -14.2103 -14.2103 -12.1599 -12.1599 -12.1527 -12.1527 -4.8218 -4.8218 -4.4889 -4.4889 -4.0177 -4.0177 -3.2442 -3.2442 -3.0465 -3.0465 -2.9375 -2.9375 -2.8255 -2.8255 -2.3087 -2.3087 -2.0846 -2.0846 -1.7484 -1.7484 -1.6894 -1.6894 -1.4843 -1.4843 -1.4749 -1.4749 -1.2448 -1.2448 -1.0054 -1.0054 -0.8142 -0.8142 -0.6267 -0.6267 -0.6112 -0.6112 -0.3248 -0.3248 -0.3167 -0.3167 -0.1840 -0.1840 -0.1591 -0.1591 1.1405 1.1405 5.5713 5.5713 k = 0.0000 0.5000 0.2516 ( 11400 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.6327 -14.6327 -14.3100 -14.3100 -14.2197 -14.2197 -14.2091 -14.2091 -12.1600 -12.1600 -12.1531 -12.1531 -4.8210 -4.8210 -4.4880 -4.4880 -4.0182 -4.0182 -3.2417 -3.2417 -3.0563 -3.0563 -2.9491 -2.9491 -2.8221 -2.8221 -2.3308 -2.3308 -2.0944 -2.0944 -1.7693 -1.7693 -1.6837 -1.6837 -1.4746 -1.4746 -1.4572 -1.4572 -1.2489 -1.2489 -1.0073 -1.0073 -0.8296 -0.8296 -0.6405 -0.6405 -0.6206 -0.6206 -0.3235 -0.3235 -0.3128 -0.3128 -0.1705 -0.1705 -0.1461 -0.1461 1.1411 1.1411 5.5771 5.5771 k = 0.0000 0.5000 0.2745 ( 11410 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.6306 -14.6306 -14.3079 -14.3079 -14.2185 -14.2185 -14.2078 -14.2078 -12.1602 -12.1602 -12.1536 -12.1536 -4.8201 -4.8201 -4.4870 -4.4870 -4.0189 -4.0189 -3.2390 -3.2390 -3.0665 -3.0665 -2.9612 -2.9612 -2.8186 -2.8186 -2.3536 -2.3536 -2.1047 -2.1047 -1.7909 -1.7909 -1.6774 -1.6774 -1.4652 -1.4652 -1.4392 -1.4392 -1.2542 -1.2542 -1.0104 -1.0104 -0.8456 -0.8456 -0.6517 -0.6517 -0.6274 -0.6274 -0.3237 -0.3237 -0.3081 -0.3081 -0.1587 -0.1587 -0.1340 -0.1340 1.1418 1.1418 5.5824 5.5824 k = 0.0000 0.5000 0.2973 ( 11408 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.6284 -14.6284 -14.3055 -14.3055 -14.2173 -14.2173 -14.2064 -14.2064 -12.1604 -12.1604 -12.1541 -12.1541 -4.8191 -4.8191 -4.4860 -4.4860 -4.0195 -4.0195 -3.2362 -3.2362 -3.0772 -3.0772 -2.9738 -2.9738 -2.8151 -2.8151 -2.3770 -2.3770 -2.1155 -2.1155 -1.8130 -1.8130 -1.6706 -1.6706 -1.4558 -1.4558 -1.4212 -1.4212 -1.2607 -1.2607 -1.0148 -1.0148 -0.8617 -0.8617 -0.6601 -0.6601 -0.6313 -0.6313 -0.3246 -0.3246 -0.3036 -0.3036 -0.1485 -0.1485 -0.1231 -0.1231 1.1426 1.1426 5.5870 5.5870 k = 0.0000 0.5000 0.3202 ( 11408 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.6261 -14.6261 -14.3031 -14.3031 -14.2161 -14.2161 -14.2050 -14.2050 -12.1606 -12.1606 -12.1546 -12.1546 -4.8181 -4.8181 -4.4849 -4.4849 -4.0201 -4.0201 -3.2334 -3.2334 -3.0883 -3.0883 -2.9868 -2.9868 -2.8116 -2.8116 -2.4007 -2.4007 -2.1267 -2.1267 -1.8354 -1.8354 -1.6633 -1.6633 -1.4463 -1.4463 -1.4038 -1.4038 -1.2683 -1.2683 -1.0204 -1.0204 -0.8780 -0.8780 -0.6657 -0.6657 -0.6323 -0.6323 -0.3259 -0.3259 -0.2993 -0.2993 -0.1398 -0.1398 -0.1134 -0.1134 1.1434 1.1434 5.5906 5.5906 k = 0.0000 0.5000 0.3431 ( 11426 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.6237 -14.6237 -14.3006 -14.3006 -14.2148 -14.2148 -14.2035 -14.2035 -12.1608 -12.1608 -12.1551 -12.1551 -4.8171 -4.8171 -4.4838 -4.4838 -4.0208 -4.0208 -3.2305 -3.2305 -3.0996 -3.0996 -3.0000 -3.0000 -2.8081 -2.8081 -2.4246 -2.4246 -2.1382 -2.1382 -1.8582 -1.8582 -1.6556 -1.6556 -1.4367 -1.4367 -1.3872 -1.3872 -1.2770 -1.2770 -1.0268 -1.0268 -0.8942 -0.8942 -0.6686 -0.6686 -0.6305 -0.6305 -0.3277 -0.3277 -0.2956 -0.2956 -0.1326 -0.1326 -0.1051 -0.1051 1.1442 1.1442 5.5929 5.5929 k = 0.0000 0.5000 0.3659 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.6212 -14.6212 -14.2980 -14.2980 -14.2134 -14.2134 -14.2020 -14.2020 -12.1610 -12.1610 -12.1557 -12.1557 -4.8160 -4.8160 -4.4827 -4.4827 -4.0214 -4.0214 -3.2277 -3.2277 -3.1111 -3.1111 -3.0134 -3.0134 -2.8045 -2.8045 -2.4486 -2.4486 -2.1500 -2.1500 -1.8810 -1.8810 -1.6475 -1.6475 -1.4272 -1.4272 -1.3721 -1.3721 -1.2861 -1.2861 -1.0338 -1.0338 -0.9101 -0.9101 -0.6687 -0.6687 -0.6261 -0.6261 -0.3298 -0.3298 -0.2924 -0.2924 -0.1269 -0.1269 -0.0983 -0.0983 1.1450 1.1450 5.5938 5.5938 k = 0.0000 0.5000 0.3888 ( 11432 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.6187 -14.6187 -14.2954 -14.2954 -14.2121 -14.2121 -14.2005 -14.2005 -12.1612 -12.1612 -12.1563 -12.1563 -4.8149 -4.8149 -4.4816 -4.4816 -4.0220 -4.0220 -3.2250 -3.2250 -3.1227 -3.1227 -3.0269 -3.0269 -2.8010 -2.8010 -2.4724 -2.4724 -2.1619 -2.1619 -1.9038 -1.9038 -1.6390 -1.6390 -1.4177 -1.4177 -1.3595 -1.3595 -1.2949 -1.2949 -1.0409 -1.0409 -0.9256 -0.9256 -0.6663 -0.6663 -0.6192 -0.6192 -0.3323 -0.3323 -0.2897 -0.2897 -0.1226 -0.1226 -0.0929 -0.0929 1.1459 1.1459 5.5930 5.5930 k = 0.0000 0.5000 0.4117 ( 11442 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5126 -48.5126 -14.6161 -14.6161 -14.2927 -14.2927 -14.2107 -14.2107 -14.1989 -14.1989 -12.1614 -12.1614 -12.1569 -12.1569 -4.8138 -4.8138 -4.4804 -4.4804 -4.0226 -4.0226 -3.2224 -3.2224 -3.1341 -3.1341 -3.0403 -3.0403 -2.7975 -2.7975 -2.4960 -2.4960 -2.1740 -2.1740 -1.9265 -1.9265 -1.6302 -1.6302 -1.4084 -1.4084 -1.3513 -1.3513 -1.3017 -1.3017 -1.0479 -1.0479 -0.9404 -0.9404 -0.6615 -0.6615 -0.6101 -0.6101 -0.3352 -0.3352 -0.2876 -0.2876 -0.1198 -0.1198 -0.0890 -0.0890 1.1468 1.1468 5.5904 5.5904 k = 0.0000 0.5000 0.4346 ( 11454 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5126 -48.5126 -14.6136 -14.6136 -14.2900 -14.2900 -14.2093 -14.2093 -14.1973 -14.1973 -12.1617 -12.1617 -12.1575 -12.1575 -4.8127 -4.8127 -4.4793 -4.4793 -4.0232 -4.0232 -3.2202 -3.2202 -3.1453 -3.1453 -3.0536 -3.0536 -2.7940 -2.7940 -2.5192 -2.5192 -2.1861 -2.1861 -1.9488 -1.9488 -1.6212 -1.6212 -1.3996 -1.3996 -1.3495 -1.3495 -1.3039 -1.3039 -1.0543 -1.0543 -0.9543 -0.9543 -0.6546 -0.6546 -0.5992 -0.5992 -0.3384 -0.3384 -0.2860 -0.2860 -0.1183 -0.1183 -0.0865 -0.0865 1.1476 1.1476 5.5857 5.5857 k = 0.0000 0.5000 0.4574 ( 11452 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5126 -48.5126 -14.6110 -14.6110 -14.2874 -14.2874 -14.2079 -14.2079 -14.1957 -14.1957 -12.1619 -12.1619 -12.1581 -12.1581 -4.8116 -4.8116 -4.4782 -4.4782 -4.0237 -4.0237 -3.2185 -3.2185 -3.1559 -3.1559 -3.0666 -3.0666 -2.7906 -2.7906 -2.5419 -2.5419 -2.1981 -2.1981 -1.9708 -1.9708 -1.6119 -1.6119 -1.3921 -1.3921 -1.3536 -1.3536 -1.3017 -1.3017 -1.0601 -1.0601 -0.9668 -0.9668 -0.6457 -0.6457 -0.5867 -0.5867 -0.3419 -0.3419 -0.2848 -0.2848 -0.1183 -0.1183 -0.0856 -0.0856 1.1485 1.1485 5.5791 5.5791 k = 0.0000 0.5000 0.4803 ( 11444 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5126 -48.5126 -14.6085 -14.6085 -14.2847 -14.2847 -14.2065 -14.2065 -14.1942 -14.1942 -12.1622 -12.1622 -12.1587 -12.1587 -4.8104 -4.8104 -4.4771 -4.4771 -4.0242 -4.0242 -3.2178 -3.2178 -3.1656 -3.1656 -3.0792 -3.0792 -2.7873 -2.7873 -2.5641 -2.5641 -2.2099 -2.2099 -1.9921 -1.9921 -1.6024 -1.6024 -1.3884 -1.3884 -1.3582 -1.3582 -1.2980 -1.2980 -1.0651 -1.0651 -0.9774 -0.9774 -0.6352 -0.6352 -0.5729 -0.5729 -0.3457 -0.3457 -0.2842 -0.2842 -0.1195 -0.1195 -0.0860 -0.0860 1.1494 1.1494 5.5703 5.5703 k = 0.0000 0.5000 0.5032 ( 11450 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5126 -48.5126 -14.6060 -14.6060 -14.2821 -14.2821 -14.2052 -14.2052 -14.1926 -14.1926 -12.1624 -12.1624 -12.1593 -12.1593 -4.8093 -4.8093 -4.4760 -4.4760 -4.0247 -4.0247 -3.2184 -3.2184 -3.1738 -3.1738 -3.0914 -3.0914 -2.7841 -2.7841 -2.5855 -2.5855 -2.2216 -2.2216 -2.0129 -2.0129 -1.5928 -1.5928 -1.3920 -1.3920 -1.3572 -1.3572 -1.2952 -1.2952 -1.0700 -1.0700 -0.9856 -0.9856 -0.6232 -0.6232 -0.5579 -0.5579 -0.3497 -0.3497 -0.2840 -0.2840 -0.1221 -0.1221 -0.0878 -0.0878 1.1502 1.1502 5.5596 5.5596 k = 0.0000 0.5000 0.5260 ( 11442 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5126 -48.5126 -14.6036 -14.6036 -14.2795 -14.2795 -14.2039 -14.2039 -14.1911 -14.1911 -12.1626 -12.1626 -12.1599 -12.1599 -4.8083 -4.8083 -4.4749 -4.4749 -4.0251 -4.0251 -3.2209 -3.2209 -3.1800 -3.1800 -3.1030 -3.1030 -2.7809 -2.7809 -2.6061 -2.6061 -2.2329 -2.2329 -2.0328 -2.0328 -1.5831 -1.5831 -1.4014 -1.4014 -1.3514 -1.3514 -1.2940 -1.2940 -1.0752 -1.0752 -0.9907 -0.9907 -0.6100 -0.6100 -0.5419 -0.5419 -0.3539 -0.3539 -0.2842 -0.2842 -0.1260 -0.1260 -0.0909 -0.0909 1.1510 1.1510 5.5470 5.5470 k = 0.0000 0.5000 0.5489 ( 11438 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.6012 -14.6012 -14.2771 -14.2771 -14.2026 -14.2026 -14.1897 -14.1897 -12.1629 -12.1629 -12.1605 -12.1605 -4.8072 -4.8072 -4.4739 -4.4739 -4.0254 -4.0254 -3.2258 -3.2258 -3.1838 -3.1838 -3.1139 -3.1139 -2.7779 -2.7779 -2.6258 -2.6258 -2.2439 -2.2439 -2.0518 -2.0518 -1.5734 -1.5734 -1.4128 -1.4128 -1.3440 -1.3440 -1.2944 -1.2944 -1.0812 -1.0812 -0.9925 -0.9925 -0.5958 -0.5958 -0.5251 -0.5251 -0.3582 -0.3582 -0.2847 -0.2847 -0.1311 -0.1311 -0.0952 -0.0952 1.1519 1.1519 5.5328 5.5328 k = 0.0000 0.5000 0.5718 ( 11430 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.5990 -14.5990 -14.2747 -14.2747 -14.2014 -14.2014 -14.1883 -14.1883 -12.1631 -12.1631 -12.1610 -12.1610 -4.8062 -4.8062 -4.4730 -4.4730 -4.0257 -4.0257 -3.2324 -3.2324 -3.1857 -3.1857 -3.1241 -3.1241 -2.7751 -2.7751 -2.6444 -2.6444 -2.2543 -2.2543 -2.0699 -2.0699 -1.5638 -1.5638 -1.4247 -1.4247 -1.3365 -1.3365 -1.2962 -1.2962 -1.0883 -1.0883 -0.9909 -0.9909 -0.5809 -0.5809 -0.5077 -0.5077 -0.3626 -0.3626 -0.2855 -0.2855 -0.1374 -0.1374 -0.1007 -0.1007 1.1526 1.1526 5.5173 5.5173 k = 0.0000 0.5000 0.5947 ( 11424 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.5968 -14.5968 -14.2724 -14.2724 -14.2003 -14.2003 -14.1870 -14.1870 -12.1633 -12.1633 -12.1616 -12.1616 -4.8053 -4.8053 -4.4721 -4.4721 -4.0260 -4.0260 -3.2399 -3.2399 -3.1864 -3.1864 -3.1333 -3.1333 -2.7724 -2.7724 -2.6620 -2.6620 -2.2643 -2.2643 -2.0869 -2.0869 -1.5543 -1.5543 -1.4363 -1.4363 -1.3297 -1.3297 -1.2985 -1.2985 -1.0963 -1.0963 -0.9868 -0.9868 -0.5653 -0.5653 -0.4898 -0.4898 -0.3670 -0.3670 -0.2865 -0.2865 -0.1449 -0.1449 -0.1072 -0.1072 1.1534 1.1534 5.5009 5.5009 k = 0.0000 0.5000 0.6175 ( 11454 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.5948 -14.5948 -14.2703 -14.2703 -14.1992 -14.1992 -14.1858 -14.1858 -12.1635 -12.1635 -12.1621 -12.1621 -4.8044 -4.8044 -4.4712 -4.4712 -4.0263 -4.0263 -3.2478 -3.2478 -3.1869 -3.1869 -3.1415 -3.1415 -2.7698 -2.7698 -2.6784 -2.6784 -2.2736 -2.2736 -2.1027 -2.1027 -1.5451 -1.5451 -1.4476 -1.4476 -1.3247 -1.3247 -1.3003 -1.3003 -1.1047 -1.1047 -0.9808 -0.9808 -0.5495 -0.5495 -0.4716 -0.4716 -0.3713 -0.3713 -0.2877 -0.2877 -0.1534 -0.1534 -0.1145 -0.1145 1.1540 1.1540 5.4840 5.4840 k = 0.0000 0.5000 0.6404 ( 11468 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.5929 -14.5929 -14.2683 -14.2683 -14.1982 -14.1982 -14.1846 -14.1846 -12.1637 -12.1637 -12.1626 -12.1626 -4.8036 -4.8036 -4.4704 -4.4704 -4.0265 -4.0265 -3.2556 -3.2556 -3.1874 -3.1874 -3.1484 -3.1484 -2.7675 -2.7675 -2.6934 -2.6934 -2.2823 -2.2823 -2.1172 -2.1172 -1.5361 -1.5361 -1.4580 -1.4580 -1.3231 -1.3231 -1.2996 -1.2996 -1.1132 -1.1132 -0.9738 -0.9738 -0.5335 -0.5335 -0.4531 -0.4531 -0.3755 -0.3755 -0.2890 -0.2890 -0.1631 -0.1631 -0.1226 -0.1226 1.1547 1.1547 5.4669 5.4669 k = 0.0000 0.5000 0.6633 ( 11456 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.5912 -14.5912 -14.2665 -14.2665 -14.1972 -14.1972 -14.1836 -14.1836 -12.1639 -12.1639 -12.1630 -12.1630 -4.8028 -4.8028 -4.4697 -4.4697 -4.0267 -4.0267 -3.2629 -3.2629 -3.1884 -3.1884 -3.1539 -3.1539 -2.7654 -2.7654 -2.7072 -2.7072 -2.2902 -2.2902 -2.1304 -2.1304 -1.5275 -1.5275 -1.4676 -1.4676 -1.3250 -1.3250 -1.2962 -1.2962 -1.1214 -1.1214 -0.9661 -0.9661 -0.5176 -0.5176 -0.4344 -0.4344 -0.3795 -0.3795 -0.2904 -0.2904 -0.1737 -0.1737 -0.1313 -0.1313 1.1552 1.1552 5.4502 5.4502 k = 0.0000 0.5000 0.6861 ( 11454 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5127 -48.5127 -14.5896 -14.5896 -14.2649 -14.2649 -14.1964 -14.1964 -14.1826 -14.1826 -12.1641 -12.1641 -12.1634 -12.1634 -4.8021 -4.8021 -4.4691 -4.4691 -4.0268 -4.0268 -3.2697 -3.2697 -3.1900 -3.1900 -3.1579 -3.1579 -2.7635 -2.7635 -2.7194 -2.7194 -2.2973 -2.2973 -2.1422 -2.1422 -1.5195 -1.5195 -1.4763 -1.4763 -1.3287 -1.3287 -1.2915 -1.2915 -1.1291 -1.1291 -0.9585 -0.9585 -0.5022 -0.5022 -0.4156 -0.4156 -0.3832 -0.3832 -0.2918 -0.2918 -0.1852 -0.1852 -0.1402 -0.1402 1.1558 1.1558 5.4344 5.4344 k = 0.0000 0.5000 0.7090 ( 11466 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5883 -14.5883 -14.2635 -14.2635 -14.1957 -14.1957 -14.1818 -14.1818 -12.1642 -12.1642 -12.1637 -12.1637 -4.8015 -4.8015 -4.4685 -4.4685 -4.0269 -4.0269 -3.2758 -3.2758 -3.1922 -3.1922 -3.1606 -3.1606 -2.7618 -2.7618 -2.7302 -2.7302 -2.3036 -2.3036 -2.1526 -2.1526 -1.5122 -1.5122 -1.4838 -1.4838 -1.3331 -1.3331 -1.2866 -1.2866 -1.1362 -1.1362 -0.9513 -0.9513 -0.4874 -0.4874 -0.3968 -0.3968 -0.3865 -0.3865 -0.2932 -0.2932 -0.1977 -0.1977 -0.1492 -0.1492 1.1562 1.1562 5.4197 5.4197 k = 0.0000 0.5000 0.7319 ( 11454 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5871 -14.5871 -14.2622 -14.2622 -14.1950 -14.1950 -14.1811 -14.1811 -12.1644 -12.1644 -12.1640 -12.1640 -4.8010 -4.8010 -4.4680 -4.4680 -4.0270 -4.0270 -3.2810 -3.2810 -3.1947 -3.1947 -3.1622 -3.1622 -2.7604 -2.7604 -2.7395 -2.7395 -2.3089 -2.3089 -2.1615 -2.1615 -1.5059 -1.5059 -1.4900 -1.4900 -1.3374 -1.3374 -1.2821 -1.2821 -1.1425 -1.1425 -0.9448 -0.9448 -0.4738 -0.4738 -0.3895 -0.3895 -0.3782 -0.3782 -0.2945 -0.2945 -0.2109 -0.2109 -0.1579 -0.1579 1.1567 1.1567 5.4065 5.4065 k = 0.0000 0.5000 0.7548 ( 11466 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5861 -14.5861 -14.2612 -14.2612 -14.1945 -14.1945 -14.1805 -14.1805 -12.1645 -12.1645 -12.1643 -12.1643 -4.8006 -4.8006 -4.4676 -4.4676 -4.0270 -4.0270 -3.2854 -3.2854 -3.1972 -3.1972 -3.1630 -3.1630 -2.7592 -2.7592 -2.7471 -2.7471 -2.3134 -2.3134 -2.1688 -2.1688 -1.5016 -1.5016 -1.4940 -1.4940 -1.3413 -1.3413 -1.2783 -1.2783 -1.1478 -1.1478 -0.9392 -0.9392 -0.4616 -0.4616 -0.3919 -0.3919 -0.3597 -0.3597 -0.2958 -0.2958 -0.2250 -0.2250 -0.1660 -0.1660 1.1570 1.1570 5.3953 5.3953 k = 0.0000 0.5000 0.7776 ( 11474 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5854 -14.5854 -14.2604 -14.2604 -14.1941 -14.1941 -14.1800 -14.1800 -12.1646 -12.1646 -12.1645 -12.1645 -4.8003 -4.8003 -4.4673 -4.4673 -4.0271 -4.0271 -3.2889 -3.2889 -3.1993 -3.1993 -3.1634 -3.1634 -2.7583 -2.7583 -2.7531 -2.7531 -2.3169 -2.3169 -2.1745 -2.1745 -1.5021 -1.5021 -1.4930 -1.4930 -1.3446 -1.3446 -1.2752 -1.2752 -1.1521 -1.1521 -0.9346 -0.9346 -0.4514 -0.4514 -0.3938 -0.3938 -0.3415 -0.3415 -0.2968 -0.2968 -0.2397 -0.2397 -0.1730 -0.1730 1.1572 1.1572 5.3863 5.3863 k = 0.0000 0.5000 0.8005 ( 11464 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5848 -14.5848 -14.2598 -14.2598 -14.1938 -14.1938 -14.1797 -14.1797 -12.1646 -12.1646 -12.1646 -12.1646 -4.8000 -4.8000 -4.4671 -4.4671 -4.0271 -4.0271 -3.2914 -3.2914 -3.2010 -3.2010 -3.1636 -3.1636 -2.7576 -2.7576 -2.7573 -2.7573 -2.3194 -2.3194 -2.1786 -2.1786 -1.5045 -1.5045 -1.4902 -1.4902 -1.3471 -1.3471 -1.2729 -1.2729 -1.1552 -1.1552 -0.9313 -0.9313 -0.4437 -0.4437 -0.3952 -0.3952 -0.3237 -0.3237 -0.2976 -0.2976 -0.2550 -0.2550 -0.1785 -0.1785 1.1574 1.1574 5.3797 5.3797 k = 0.0000 0.5000 0.8234 ( 11466 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5845 -14.5845 -14.2595 -14.2595 -14.1936 -14.1936 -14.1795 -14.1795 -12.1647 -12.1647 -12.1647 -12.1647 -4.7999 -4.7999 -4.4669 -4.4669 -4.0271 -4.0271 -3.2929 -3.2929 -3.2020 -3.2020 -3.1637 -3.1637 -2.7599 -2.7599 -2.7572 -2.7572 -2.3209 -2.3209 -2.1810 -2.1810 -1.5061 -1.5061 -1.4882 -1.4882 -1.3486 -1.3486 -1.2715 -1.2715 -1.1571 -1.1571 -0.9293 -0.9293 -0.4388 -0.4388 -0.3960 -0.3960 -0.3067 -0.3067 -0.2982 -0.2982 -0.2705 -0.2705 -0.1819 -0.1819 1.1575 1.1575 5.3757 5.3757 k = 0.0000 0.5000 0.8462 ( 11488 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5844 -14.5844 -14.2594 -14.2594 -14.1936 -14.1936 -14.1794 -14.1794 -12.1647 -12.1647 -12.1647 -12.1647 -4.7998 -4.7998 -4.4669 -4.4669 -4.0271 -4.0271 -3.2935 -3.2935 -3.2024 -3.2024 -3.1637 -3.1637 -2.7608 -2.7608 -2.7571 -2.7571 -2.3214 -2.3214 -2.1819 -2.1819 -1.5067 -1.5067 -1.4875 -1.4875 -1.3492 -1.3492 -1.2710 -1.2710 -1.1577 -1.1577 -0.9286 -0.9286 -0.4372 -0.4372 -0.3962 -0.3962 -0.2984 -0.2984 -0.2947 -0.2947 -0.2819 -0.2819 -0.1831 -0.1831 1.1575 1.1575 5.3743 5.3743 k = 0.5000 0.5000-0.0000 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5899 -14.5899 -14.2907 -14.2907 -14.2792 -14.2792 -14.2649 -14.2649 -12.1494 -12.1494 -12.1491 -12.1491 -4.9303 -4.9303 -4.3499 -4.3499 -4.0167 -4.0167 -3.0026 -3.0026 -2.8932 -2.8932 -2.8923 -2.8923 -2.8898 -2.8898 -2.0353 -2.0353 -1.9048 -1.9048 -1.8862 -1.8862 -1.8710 -1.8710 -1.6436 -1.6436 -1.5835 -1.5835 -1.3214 -1.3214 -1.0253 -1.0253 -0.9547 -0.9547 -0.6725 -0.6725 -0.6304 -0.6304 -0.2772 -0.2772 -0.2632 -0.2632 -0.1474 -0.1474 -0.0561 -0.0561 0.8717 0.8717 5.8713 5.8713 k = 0.5000 0.5000 0.0229 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5898 -14.5898 -14.2906 -14.2906 -14.2791 -14.2791 -14.2648 -14.2648 -12.1494 -12.1494 -12.1492 -12.1492 -4.9302 -4.9302 -4.3498 -4.3498 -4.0164 -4.0164 -3.0031 -3.0031 -2.8931 -2.8931 -2.8922 -2.8922 -2.8903 -2.8903 -2.0380 -2.0380 -1.9064 -1.9064 -1.8857 -1.8857 -1.8719 -1.8719 -1.6456 -1.6456 -1.5812 -1.5812 -1.3211 -1.3211 -1.0249 -1.0249 -0.9543 -0.9543 -0.6711 -0.6711 -0.6292 -0.6292 -0.2774 -0.2774 -0.2634 -0.2634 -0.1481 -0.1481 -0.0568 -0.0568 0.8717 0.8717 5.8712 5.8712 k = 0.5000 0.5000 0.0457 ( 11432 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5896 -14.5896 -14.2903 -14.2903 -14.2788 -14.2788 -14.2647 -14.2647 -12.1495 -12.1495 -12.1492 -12.1492 -4.9300 -4.9300 -4.3496 -4.3496 -4.0159 -4.0159 -3.0043 -3.0043 -2.8929 -2.8929 -2.8922 -2.8922 -2.8914 -2.8914 -2.0459 -2.0459 -1.9108 -1.9108 -1.8841 -1.8841 -1.8745 -1.8745 -1.6515 -1.6515 -1.5744 -1.5744 -1.3200 -1.3200 -1.0235 -1.0235 -0.9530 -0.9530 -0.6668 -0.6668 -0.6259 -0.6259 -0.2780 -0.2780 -0.2641 -0.2641 -0.1500 -0.1500 -0.0591 -0.0591 0.8719 0.8719 5.8709 5.8709 k = 0.5000 0.5000 0.0686 ( 11424 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5892 -14.5892 -14.2898 -14.2898 -14.2782 -14.2782 -14.2644 -14.2644 -12.1496 -12.1496 -12.1494 -12.1494 -4.9297 -4.9297 -4.3493 -4.3493 -4.0150 -4.0150 -3.0063 -3.0063 -2.8940 -2.8940 -2.8924 -2.8924 -2.8915 -2.8915 -2.0590 -2.0590 -1.9177 -1.9177 -1.8815 -1.8815 -1.8787 -1.8787 -1.6613 -1.6613 -1.5639 -1.5639 -1.3183 -1.3183 -1.0213 -1.0213 -0.9510 -0.9510 -0.6597 -0.6597 -0.6204 -0.6204 -0.2790 -0.2790 -0.2652 -0.2652 -0.1533 -0.1533 -0.0629 -0.0629 0.8721 0.8721 5.8703 5.8703 k = 0.5000 0.5000 0.0915 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5887 -14.5887 -14.2890 -14.2890 -14.2775 -14.2775 -14.2639 -14.2639 -12.1498 -12.1498 -12.1495 -12.1495 -4.9293 -4.9293 -4.3489 -4.3489 -4.0137 -4.0137 -3.0092 -3.0092 -2.8970 -2.8970 -2.8918 -2.8918 -2.8911 -2.8911 -2.0767 -2.0767 -1.9265 -1.9265 -1.8847 -1.8847 -1.8779 -1.8779 -1.6746 -1.6746 -1.5503 -1.5503 -1.3159 -1.3159 -1.0184 -1.0184 -0.9482 -0.9482 -0.6502 -0.6502 -0.6128 -0.6128 -0.2803 -0.2803 -0.2667 -0.2667 -0.1578 -0.1578 -0.0682 -0.0682 0.8724 0.8724 5.8694 5.8694 k = 0.5000 0.5000 0.1144 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5880 -14.5880 -14.2881 -14.2881 -14.2765 -14.2765 -14.2634 -14.2634 -12.1500 -12.1500 -12.1498 -12.1498 -4.9287 -4.9287 -4.3484 -4.3484 -4.0120 -4.0120 -3.0128 -3.0128 -2.9009 -2.9009 -2.8910 -2.8910 -2.8905 -2.8905 -2.0986 -2.0986 -1.9366 -1.9366 -1.8921 -1.8921 -1.8732 -1.8732 -1.6912 -1.6912 -1.5344 -1.5344 -1.3128 -1.3128 -1.0147 -1.0147 -0.9447 -0.9447 -0.6384 -0.6384 -0.6032 -0.6032 -0.2819 -0.2819 -0.2685 -0.2685 -0.1636 -0.1636 -0.0749 -0.0749 0.8728 0.8728 5.8682 5.8682 k = 0.5000 0.5000 0.1372 ( 11432 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5872 -14.5872 -14.2869 -14.2869 -14.2754 -14.2754 -14.2627 -14.2627 -12.1503 -12.1503 -12.1500 -12.1500 -4.9280 -4.9280 -4.3478 -4.3478 -4.0100 -4.0100 -3.0171 -3.0171 -2.9056 -2.9056 -2.8900 -2.8900 -2.8898 -2.8898 -2.1242 -2.1242 -1.9479 -1.9479 -1.9010 -1.9010 -1.8676 -1.8676 -1.7107 -1.7107 -1.5169 -1.5169 -1.3090 -1.3090 -1.0104 -1.0104 -0.9408 -0.9408 -0.6246 -0.6246 -0.5919 -0.5919 -0.2837 -0.2837 -0.2706 -0.2706 -0.1707 -0.1707 -0.0831 -0.0831 0.8734 0.8734 5.8665 5.8665 k = 0.5000 0.5000 0.1601 ( 11440 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5863 -14.5863 -14.2855 -14.2855 -14.2740 -14.2740 -14.2619 -14.2619 -12.1506 -12.1506 -12.1503 -12.1503 -4.9272 -4.9272 -4.3471 -4.3471 -4.0077 -4.0077 -3.0222 -3.0222 -2.9111 -2.9111 -2.8890 -2.8890 -2.8889 -2.8889 -2.1526 -2.1526 -1.9601 -1.9601 -1.9113 -1.9113 -1.8609 -1.8609 -1.7328 -1.7328 -1.4983 -1.4983 -1.3046 -1.3046 -1.0057 -1.0057 -0.9364 -0.9364 -0.6092 -0.6092 -0.5789 -0.5789 -0.2857 -0.2857 -0.2729 -0.2729 -0.1789 -0.1789 -0.0927 -0.0927 0.8740 0.8740 5.8643 5.8643 k = 0.5000 0.5000 0.1830 ( 11452 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5852 -14.5852 -14.2840 -14.2840 -14.2725 -14.2725 -14.2611 -14.2611 -12.1509 -12.1509 -12.1507 -12.1507 -4.9263 -4.9263 -4.3462 -4.3462 -4.0051 -4.0051 -3.0279 -3.0279 -2.9173 -2.9173 -2.8881 -2.8881 -2.8877 -2.8877 -2.1834 -2.1834 -1.9731 -1.9731 -1.9227 -1.9227 -1.8533 -1.8533 -1.7571 -1.7571 -1.4789 -1.4789 -1.2995 -1.2995 -1.0005 -1.0005 -0.9318 -0.9318 -0.5924 -0.5924 -0.5645 -0.5645 -0.2878 -0.2878 -0.2754 -0.2754 -0.1884 -0.1884 -0.1036 -0.1036 0.8747 0.8747 5.8615 5.8615 k = 0.5000 0.5000 0.2058 ( 11428 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5841 -14.5841 -14.2823 -14.2823 -14.2708 -14.2708 -14.2601 -14.2601 -12.1513 -12.1513 -12.1511 -12.1511 -4.9252 -4.9252 -4.3453 -4.3453 -4.0021 -4.0021 -3.0342 -3.0342 -2.9242 -2.9242 -2.8872 -2.8872 -2.8864 -2.8864 -2.2160 -2.2160 -1.9869 -1.9869 -1.9352 -1.9352 -1.8447 -1.8447 -1.7832 -1.7832 -1.4592 -1.4592 -1.2937 -1.2937 -0.9951 -0.9951 -0.9269 -0.9269 -0.5746 -0.5746 -0.5489 -0.5489 -0.2900 -0.2900 -0.2779 -0.2779 -0.1989 -0.1989 -0.1159 -0.1159 0.8754 0.8754 5.8579 5.8579 k = 0.5000 0.5000 0.2287 ( 11416 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5828 -14.5828 -14.2804 -14.2804 -14.2689 -14.2689 -14.2590 -14.2590 -12.1517 -12.1517 -12.1515 -12.1515 -4.9241 -4.9241 -4.3443 -4.3443 -3.9989 -3.9989 -3.0411 -3.0411 -2.9316 -2.9316 -2.8861 -2.8861 -2.8849 -2.8849 -2.2500 -2.2500 -2.0013 -2.0013 -1.9487 -1.9487 -1.8352 -1.8352 -1.8108 -1.8108 -1.4392 -1.4392 -1.2873 -1.2873 -0.9896 -0.9896 -0.9221 -0.9221 -0.5559 -0.5559 -0.5321 -0.5321 -0.2921 -0.2921 -0.2804 -0.2804 -0.2105 -0.2105 -0.1294 -0.1294 0.8763 0.8763 5.8535 5.8535 k = 0.5000 0.5000 0.2516 ( 11416 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5124 -48.5124 -14.5814 -14.5814 -14.2784 -14.2784 -14.2669 -14.2669 -14.2579 -14.2579 -12.1522 -12.1522 -12.1520 -12.1520 -4.9228 -4.9228 -4.3433 -4.3433 -3.9955 -3.9955 -3.0484 -3.0484 -2.9396 -2.9396 -2.8849 -2.8849 -2.8833 -2.8833 -2.2850 -2.2850 -2.0163 -2.0163 -1.9629 -1.9629 -1.8396 -1.8396 -1.8248 -1.8248 -1.4192 -1.4192 -1.2802 -1.2802 -0.9840 -0.9840 -0.9174 -0.9174 -0.5367 -0.5367 -0.5146 -0.5146 -0.2941 -0.2941 -0.2828 -0.2828 -0.2231 -0.2231 -0.1441 -0.1441 0.8771 0.8771 5.8481 5.8481 k = 0.5000 0.5000 0.2745 ( 11408 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.5799 -14.5799 -14.2763 -14.2763 -14.2647 -14.2647 -14.2566 -14.2566 -12.1527 -12.1527 -12.1525 -12.1525 -4.9215 -4.9215 -4.3421 -4.3421 -3.9918 -3.9918 -3.0562 -3.0562 -2.9481 -2.9481 -2.8838 -2.8838 -2.8816 -2.8816 -2.3206 -2.3206 -2.0318 -2.0318 -1.9779 -1.9779 -1.8693 -1.8693 -1.8136 -1.8136 -1.3993 -1.3993 -1.2726 -1.2726 -0.9784 -0.9784 -0.9129 -0.9129 -0.5172 -0.5172 -0.4964 -0.4964 -0.2961 -0.2961 -0.2851 -0.2851 -0.2365 -0.2365 -0.1599 -0.1599 0.8780 0.8780 5.8417 5.8417 k = 0.5000 0.5000 0.2973 ( 11404 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.5784 -14.5784 -14.2740 -14.2740 -14.2624 -14.2624 -14.2554 -14.2554 -12.1533 -12.1533 -12.1531 -12.1531 -4.9201 -4.9201 -4.3409 -4.3409 -3.9879 -3.9879 -3.0644 -3.0644 -2.9569 -2.9569 -2.8825 -2.8825 -2.8799 -2.8799 -2.3566 -2.3566 -2.0476 -2.0476 -1.9934 -1.9934 -1.8995 -1.8995 -1.8015 -1.8015 -1.3796 -1.3796 -1.2642 -1.2642 -0.9728 -0.9728 -0.9087 -0.9087 -0.4976 -0.4976 -0.4777 -0.4777 -0.2982 -0.2982 -0.2872 -0.2872 -0.2504 -0.2504 -0.1767 -0.1767 0.8789 0.8789 5.8341 5.8341 k = 0.5000 0.5000 0.3202 ( 11436 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.5768 -14.5768 -14.2717 -14.2717 -14.2601 -14.2601 -14.2540 -14.2540 -12.1538 -12.1538 -12.1537 -12.1537 -4.9187 -4.9187 -4.3397 -4.3397 -3.9838 -3.9838 -3.0730 -3.0730 -2.9662 -2.9662 -2.8813 -2.8813 -2.8781 -2.8781 -2.3926 -2.3926 -2.0638 -2.0638 -2.0093 -2.0093 -1.9300 -1.9300 -1.7887 -1.7887 -1.3602 -1.3602 -1.2553 -1.2553 -0.9675 -0.9675 -0.9049 -0.9049 -0.4780 -0.4780 -0.4588 -0.4588 -0.3008 -0.3008 -0.2893 -0.2893 -0.2645 -0.2645 -0.1943 -0.1943 0.8799 0.8799 5.8251 5.8251 k = 0.5000 0.5000 0.3431 ( 11436 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.5751 -14.5751 -14.2692 -14.2692 -14.2576 -14.2576 -14.2526 -14.2526 -12.1544 -12.1544 -12.1543 -12.1543 -4.9172 -4.9172 -4.3384 -4.3384 -3.9796 -3.9796 -3.0818 -3.0818 -2.9757 -2.9757 -2.8800 -2.8800 -2.8763 -2.8763 -2.4285 -2.4285 -2.0801 -2.0801 -2.0257 -2.0257 -1.9606 -1.9606 -1.7751 -1.7751 -1.3412 -1.3412 -1.2458 -1.2458 -0.9622 -0.9622 -0.9015 -0.9015 -0.4585 -0.4585 -0.4398 -0.4398 -0.3051 -0.3051 -0.2915 -0.2915 -0.2772 -0.2772 -0.2124 -0.2124 0.8809 0.8809 5.8149 5.8149 k = 0.5000 0.5000 0.3659 ( 11424 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.5733 -14.5733 -14.2667 -14.2667 -14.2551 -14.2551 -14.2512 -14.2512 -12.1550 -12.1550 -12.1549 -12.1549 -4.9156 -4.9156 -4.3371 -4.3371 -3.9752 -3.9752 -3.0907 -3.0907 -2.9853 -2.9853 -2.8787 -2.8787 -2.8744 -2.8744 -2.4640 -2.4640 -2.0966 -2.0966 -2.0423 -2.0423 -1.9908 -1.9908 -1.7609 -1.7609 -1.3227 -1.3227 -1.2356 -1.2356 -0.9569 -0.9569 -0.8986 -0.8986 -0.4394 -0.4394 -0.4208 -0.4208 -0.3138 -0.3138 -0.2942 -0.2942 -0.2858 -0.2858 -0.2304 -0.2304 0.8819 0.8819 5.8032 5.8032 k = 0.5000 0.5000 0.3888 ( 11424 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5125 -48.5125 -14.5716 -14.5716 -14.2641 -14.2641 -14.2525 -14.2525 -14.2497 -14.2497 -12.1557 -12.1557 -12.1555 -12.1555 -4.9140 -4.9140 -4.3357 -4.3357 -3.9708 -3.9708 -3.0998 -3.0998 -2.9951 -2.9951 -2.8774 -2.8774 -2.8726 -2.8726 -2.4990 -2.4990 -2.1130 -2.1130 -2.0595 -2.0595 -2.0204 -2.0204 -1.7460 -1.7460 -1.3048 -1.3048 -1.2248 -1.2248 -0.9518 -0.9518 -0.8962 -0.8962 -0.4207 -0.4207 -0.4020 -0.4020 -0.3276 -0.3276 -0.2986 -0.2986 -0.2895 -0.2895 -0.2472 -0.2472 0.8829 0.8829 5.7900 5.7900 k = 0.5000 0.5000 0.4117 ( 11476 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5126 -48.5126 -14.5698 -14.5698 -14.2615 -14.2615 -14.2499 -14.2499 -14.2482 -14.2482 -12.1563 -12.1563 -12.1562 -12.1562 -4.9124 -4.9124 -4.3344 -4.3344 -3.9663 -3.9663 -3.1090 -3.1090 -3.0049 -3.0049 -2.8762 -2.8762 -2.8707 -2.8707 -2.5333 -2.5333 -2.1293 -2.1293 -2.0774 -2.0774 -2.0487 -2.0487 -1.7306 -1.7306 -1.2877 -1.2877 -1.2135 -1.2135 -0.9468 -0.9468 -0.8943 -0.8943 -0.4025 -0.4025 -0.3838 -0.3838 -0.3442 -0.3442 -0.3068 -0.3068 -0.2905 -0.2905 -0.2606 -0.2606 0.8838 0.8838 5.7755 5.7755 k = 0.5000 0.5000 0.4346 ( 11452 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5126 -48.5126 -14.5680 -14.5680 -14.2589 -14.2589 -14.2472 -14.2472 -14.2468 -14.2468 -12.1569 -12.1569 -12.1568 -12.1568 -4.9108 -4.9108 -4.3330 -4.3330 -3.9618 -3.9618 -3.1180 -3.1180 -3.0147 -3.0147 -2.8750 -2.8750 -2.8688 -2.8688 -2.5667 -2.5667 -2.1453 -2.1453 -2.0972 -2.0972 -2.0742 -2.0742 -1.7147 -1.7147 -1.2713 -1.2713 -1.2017 -1.2017 -0.9415 -0.9415 -0.8928 -0.8928 -0.3849 -0.3849 -0.3687 -0.3687 -0.3593 -0.3593 -0.3207 -0.3207 -0.2901 -0.2901 -0.2684 -0.2684 0.8848 0.8848 5.7595 5.7595 k = 0.5000 0.5000 0.4574 ( 11460 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5126 -48.5126 -14.5662 -14.5662 -14.2562 -14.2562 -14.2453 -14.2453 -14.2446 -14.2446 -12.1576 -12.1576 -12.1575 -12.1575 -4.9091 -4.9091 -4.3317 -4.3317 -3.9573 -3.9573 -3.1271 -3.1271 -3.0243 -3.0243 -2.8739 -2.8739 -2.8670 -2.8670 -2.5990 -2.5990 -2.1611 -2.1611 -2.1201 -2.1201 -2.0956 -2.0956 -1.6984 -1.6984 -1.2560 -1.2560 -1.1893 -1.1893 -0.9362 -0.9362 -0.8917 -0.8917 -0.3825 -0.3825 -0.3680 -0.3680 -0.3470 -0.3470 -0.3394 -0.3394 -0.2889 -0.2889 -0.2716 -0.2716 0.8857 0.8857 5.7423 5.7423 k = 0.5000 0.5000 0.4803 ( 11468 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5126 -48.5126 -14.5645 -14.5645 -14.2536 -14.2536 -14.2438 -14.2438 -14.2420 -14.2420 -12.1582 -12.1582 -12.1581 -12.1581 -4.9075 -4.9075 -4.3303 -4.3303 -3.9528 -3.9528 -3.1359 -3.1359 -3.0338 -3.0338 -2.8728 -2.8728 -2.8652 -2.8652 -2.6303 -2.6303 -2.1764 -2.1764 -2.1451 -2.1451 -2.1136 -2.1136 -1.6818 -1.6818 -1.2418 -1.2418 -1.1764 -1.1764 -0.9307 -0.9307 -0.8908 -0.8908 -0.4016 -0.4016 -0.3612 -0.3612 -0.3515 -0.3515 -0.3304 -0.3304 -0.2872 -0.2872 -0.2722 -0.2722 0.8867 0.8867 5.7239 5.7239 k = 0.5000 0.5000 0.5032 ( 11444 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5126 -48.5126 -14.5627 -14.5627 -14.2511 -14.2511 -14.2424 -14.2424 -14.2394 -14.2394 -12.1589 -12.1589 -12.1588 -12.1588 -4.9059 -4.9059 -4.3290 -4.3290 -3.9484 -3.9484 -3.1446 -3.1446 -3.0430 -3.0430 -2.8718 -2.8718 -2.8635 -2.8635 -2.6602 -2.6602 -2.1913 -2.1913 -2.1705 -2.1705 -2.1297 -2.1297 -1.6650 -1.6650 -1.2287 -1.2287 -1.1632 -1.1632 -0.9249 -0.9249 -0.8902 -0.8902 -0.4212 -0.4212 -0.3842 -0.3842 -0.3362 -0.3362 -0.3143 -0.3143 -0.2850 -0.2850 -0.2714 -0.2714 0.8876 0.8876 5.7045 5.7045 k = 0.5000 0.5000 0.5260 ( 11456 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1352 -49.1352 -48.5126 -48.5126 -14.5610 -14.5610 -14.2486 -14.2486 -14.2410 -14.2410 -14.2369 -14.2369 -12.1595 -12.1595 -12.1594 -12.1594 -4.9043 -4.9043 -4.3277 -4.3277 -3.9441 -3.9441 -3.1530 -3.1530 -3.0520 -3.0520 -2.8708 -2.8708 -2.8618 -2.8618 -2.6887 -2.6887 -2.2056 -2.2056 -2.1954 -2.1954 -2.1445 -2.1445 -1.6481 -1.6481 -1.2169 -1.2169 -1.1496 -1.1496 -0.9188 -0.9188 -0.8897 -0.8897 -0.4410 -0.4410 -0.4082 -0.4082 -0.3215 -0.3215 -0.2990 -0.2990 -0.2824 -0.2824 -0.2697 -0.2697 0.8884 0.8884 5.6843 5.6843 k = 0.5000 0.5000 0.5489 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.5594 -14.5594 -14.2462 -14.2462 -14.2396 -14.2396 -14.2345 -14.2345 -12.1601 -12.1601 -12.1601 -12.1601 -4.9028 -4.9028 -4.3265 -4.3265 -3.9399 -3.9399 -3.1610 -3.1610 -3.0606 -3.0606 -2.8700 -2.8700 -2.8602 -2.8602 -2.7157 -2.7157 -2.2192 -2.2192 -2.2192 -2.2192 -2.1585 -2.1585 -1.6313 -1.6313 -1.2063 -1.2063 -1.1357 -1.1357 -0.9123 -0.9123 -0.8890 -0.8890 -0.4607 -0.4607 -0.4328 -0.4328 -0.3078 -0.3078 -0.2854 -0.2854 -0.2788 -0.2788 -0.2676 -0.2676 0.8892 0.8892 5.6635 5.6635 k = 0.5000 0.5000 0.5718 ( 11432 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.5578 -14.5578 -14.2438 -14.2438 -14.2383 -14.2383 -14.2322 -14.2322 -12.1607 -12.1607 -12.1607 -12.1607 -4.9013 -4.9013 -4.3253 -4.3253 -3.9359 -3.9359 -3.1687 -3.1687 -3.0687 -3.0687 -2.8692 -2.8692 -2.8587 -2.8587 -2.7411 -2.7411 -2.2418 -2.2418 -2.2322 -2.2322 -2.1715 -2.1715 -1.6145 -1.6145 -1.1970 -1.1970 -1.1218 -1.1218 -0.9056 -0.9056 -0.8881 -0.8881 -0.4801 -0.4801 -0.4579 -0.4579 -0.2949 -0.2949 -0.2783 -0.2783 -0.2693 -0.2693 -0.2651 -0.2651 0.8900 0.8900 5.6426 5.6426 k = 0.5000 0.5000 0.5947 ( 11432 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.5563 -14.5563 -14.2416 -14.2416 -14.2371 -14.2371 -14.2299 -14.2299 -12.1613 -12.1613 -12.1613 -12.1613 -4.8999 -4.8999 -4.3242 -4.3242 -3.9321 -3.9321 -3.1759 -3.1759 -3.0764 -3.0764 -2.8685 -2.8685 -2.8574 -2.8574 -2.7648 -2.7648 -2.2630 -2.2630 -2.2443 -2.2443 -2.1837 -2.1837 -1.5981 -1.5981 -1.1891 -1.1891 -1.1079 -1.1079 -0.8986 -0.8986 -0.8868 -0.8868 -0.4992 -0.4992 -0.4832 -0.4832 -0.2831 -0.2831 -0.2750 -0.2750 -0.2623 -0.2623 -0.2570 -0.2570 0.8906 0.8906 5.6217 5.6217 k = 0.5000 0.5000 0.6175 ( 11416 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.5549 -14.5549 -14.2396 -14.2396 -14.2359 -14.2359 -14.2279 -14.2279 -12.1619 -12.1619 -12.1618 -12.1618 -4.8986 -4.8986 -4.3231 -4.3231 -3.9285 -3.9285 -3.1827 -3.1827 -3.0835 -3.0835 -2.8679 -2.8679 -2.8561 -2.8561 -2.7867 -2.7867 -2.2827 -2.2827 -2.2556 -2.2556 -2.1950 -2.1950 -1.5822 -1.5822 -1.1822 -1.1822 -1.0943 -1.0943 -0.8915 -0.8915 -0.8849 -0.8849 -0.5176 -0.5176 -0.5086 -0.5086 -0.2722 -0.2722 -0.2719 -0.2719 -0.2594 -0.2594 -0.2453 -0.2453 0.8913 0.8913 5.6012 5.6012 k = 0.5000 0.5000 0.6404 ( 11432 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.5536 -14.5536 -14.2376 -14.2376 -14.2348 -14.2348 -14.2259 -14.2259 -12.1624 -12.1624 -12.1623 -12.1623 -4.8974 -4.8974 -4.3222 -4.3222 -3.9252 -3.9252 -3.1890 -3.1890 -3.0902 -3.0902 -2.8674 -2.8674 -2.8549 -2.8549 -2.8067 -2.8067 -2.3008 -2.3008 -2.2660 -2.2660 -2.2054 -2.2054 -1.5669 -1.5669 -1.1766 -1.1766 -1.0811 -1.0811 -0.8845 -0.8845 -0.8821 -0.8821 -0.5353 -0.5353 -0.5339 -0.5339 -0.2691 -0.2691 -0.2627 -0.2627 -0.2561 -0.2561 -0.2346 -0.2346 0.8918 0.8918 5.5814 5.5814 k = 0.5000 0.5000 0.6633 ( 11428 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.5524 -14.5524 -14.2359 -14.2359 -14.2338 -14.2338 -14.2241 -14.2241 -12.1628 -12.1628 -12.1628 -12.1628 -4.8962 -4.8962 -4.3213 -4.3213 -3.9221 -3.9221 -3.1947 -3.1947 -3.0962 -3.0962 -2.8670 -2.8670 -2.8539 -2.8539 -2.8249 -2.8249 -2.3171 -2.3171 -2.2754 -2.2754 -2.2147 -2.2147 -1.5525 -1.5525 -1.1719 -1.1719 -1.0686 -1.0686 -0.8781 -0.8781 -0.8776 -0.8776 -0.5590 -0.5590 -0.5519 -0.5519 -0.2664 -0.2664 -0.2560 -0.2560 -0.2511 -0.2511 -0.2249 -0.2249 0.8924 0.8924 5.5626 5.5626 k = 0.5000 0.5000 0.6861 ( 11432 PWs) bands (ev): -84.5288 -84.5288 -53.3562 -53.3562 -49.1351 -49.1351 -48.5127 -48.5127 -14.5514 -14.5514 -14.2343 -14.2343 -14.2330 -14.2330 -14.2225 -14.2225 -12.1632 -12.1632 -12.1632 -12.1632 -4.8952 -4.8952 -4.3205 -4.3205 -3.9194 -3.9194 -3.1998 -3.1998 -3.1016 -3.1016 -2.8667 -2.8667 -2.8529 -2.8529 -2.8410 -2.8410 -2.3317 -2.3317 -2.2838 -2.2838 -2.2231 -2.2231 -1.5391 -1.5391 -1.1682 -1.1682 -1.0572 -1.0572 -0.8729 -0.8729 -0.8710 -0.8710 -0.5837 -0.5837 -0.5673 -0.5673 -0.2638 -0.2638 -0.2525 -0.2525 -0.2441 -0.2441 -0.2163 -0.2163 0.8928 0.8928 5.5452 5.5452 k = 0.5000 0.5000 0.7090 ( 11452 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5504 -14.5504 -14.2328 -14.2328 -14.2322 -14.2322 -14.2211 -14.2211 -12.1636 -12.1636 -12.1636 -12.1636 -4.8943 -4.8943 -4.3198 -4.3198 -3.9170 -3.9170 -3.2043 -3.2043 -3.1063 -3.1063 -2.8664 -2.8664 -2.8551 -2.8551 -2.8521 -2.8521 -2.3445 -2.3445 -2.2912 -2.2912 -2.2304 -2.2304 -1.5269 -1.5269 -1.1652 -1.1652 -1.0470 -1.0470 -0.8661 -0.8661 -0.8649 -0.8649 -0.6078 -0.6078 -0.5813 -0.5813 -0.2616 -0.2616 -0.2500 -0.2500 -0.2374 -0.2374 -0.2088 -0.2088 0.8932 0.8932 5.5295 5.5295 k = 0.5000 0.5000 0.7319 ( 11468 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5496 -14.5496 -14.2316 -14.2316 -14.2315 -14.2315 -14.2199 -14.2199 -12.1639 -12.1639 -12.1639 -12.1639 -4.8935 -4.8935 -4.3192 -4.3192 -3.9149 -3.9149 -3.2082 -3.2082 -3.1104 -3.1104 -2.8671 -2.8671 -2.8662 -2.8662 -2.8515 -2.8515 -2.3554 -2.3554 -2.2975 -2.2975 -2.2366 -2.2366 -1.5161 -1.5161 -1.1629 -1.1629 -1.0383 -1.0383 -0.8595 -0.8595 -0.8578 -0.8578 -0.6310 -0.6310 -0.5936 -0.5936 -0.2596 -0.2596 -0.2479 -0.2479 -0.2316 -0.2316 -0.2024 -0.2024 0.8935 0.8935 5.5156 5.5156 k = 0.5000 0.5000 0.7548 ( 11460 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5489 -14.5489 -14.2309 -14.2309 -14.2306 -14.2306 -14.2189 -14.2189 -12.1642 -12.1642 -12.1642 -12.1642 -4.8929 -4.8929 -4.3187 -4.3187 -3.9132 -3.9132 -3.2113 -3.2113 -3.1137 -3.1137 -2.8770 -2.8770 -2.8660 -2.8660 -2.8509 -2.8509 -2.3644 -2.3644 -2.3027 -2.3027 -2.2417 -2.2417 -1.5070 -1.5070 -1.1611 -1.1611 -1.0312 -1.0312 -0.8548 -0.8548 -0.8482 -0.8482 -0.6528 -0.6528 -0.6040 -0.6040 -0.2579 -0.2579 -0.2461 -0.2461 -0.2268 -0.2268 -0.1972 -0.1972 0.8938 0.8938 5.5040 5.5040 k = 0.5000 0.5000 0.7776 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5484 -14.5484 -14.2305 -14.2305 -14.2298 -14.2298 -14.2181 -14.2181 -12.1644 -12.1644 -12.1644 -12.1644 -4.8924 -4.8924 -4.3183 -4.3183 -3.9118 -3.9118 -3.2138 -3.2138 -3.1163 -3.1163 -2.8847 -2.8847 -2.8659 -2.8659 -2.8505 -2.8505 -2.3714 -2.3714 -2.3068 -2.3068 -2.2457 -2.2457 -1.4997 -1.4997 -1.1598 -1.1598 -1.0258 -1.0258 -0.8510 -0.8510 -0.8379 -0.8379 -0.6726 -0.6726 -0.6123 -0.6123 -0.2565 -0.2565 -0.2447 -0.2447 -0.2230 -0.2230 -0.1931 -0.1931 0.8940 0.8940 5.4947 5.4947 k = 0.5000 0.5000 0.8005 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5480 -14.5480 -14.2302 -14.2302 -14.2293 -14.2293 -14.2175 -14.2175 -12.1646 -12.1646 -12.1646 -12.1646 -4.8920 -4.8920 -4.3180 -4.3180 -3.9108 -3.9108 -3.2156 -3.2156 -3.1182 -3.1182 -2.8902 -2.8902 -2.8658 -2.8658 -2.8502 -2.8502 -2.3764 -2.3764 -2.3097 -2.3097 -2.2486 -2.2486 -1.4943 -1.4943 -1.1589 -1.1589 -1.0220 -1.0220 -0.8482 -0.8482 -0.8280 -0.8280 -0.6893 -0.6893 -0.6184 -0.6184 -0.2555 -0.2555 -0.2437 -0.2437 -0.2203 -0.2203 -0.1901 -0.1901 0.8942 0.8942 5.4880 5.4880 k = 0.5000 0.5000 0.8234 ( 11448 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5478 -14.5478 -14.2300 -14.2300 -14.2289 -14.2289 -14.2172 -14.2172 -12.1647 -12.1647 -12.1647 -12.1647 -4.8918 -4.8918 -4.3178 -4.3178 -3.9102 -3.9102 -3.2167 -3.2167 -3.1193 -3.1193 -2.8935 -2.8935 -2.8658 -2.8658 -2.8500 -2.8500 -2.3794 -2.3794 -2.3115 -2.3115 -2.2504 -2.2504 -1.4911 -1.4911 -1.1584 -1.1584 -1.0197 -1.0197 -0.8465 -0.8465 -0.8203 -0.8203 -0.7010 -0.7010 -0.6221 -0.6221 -0.2549 -0.2549 -0.2431 -0.2431 -0.2187 -0.2187 -0.1884 -0.1884 0.8943 0.8943 5.4839 5.4839 k = 0.5000 0.5000 0.8462 ( 11424 PWs) bands (ev): -84.5288 -84.5288 -53.3563 -53.3563 -49.1351 -49.1351 -48.5128 -48.5128 -14.5477 -14.5477 -14.2299 -14.2299 -14.2288 -14.2288 -14.2171 -14.2171 -12.1647 -12.1647 -12.1647 -12.1647 -4.8917 -4.8917 -4.3178 -4.3178 -3.9100 -3.9100 -3.2170 -3.2170 -3.1197 -3.1197 -2.8946 -2.8946 -2.8658 -2.8658 -2.8499 -2.8499 -2.3805 -2.3805 -2.3121 -2.3121 -2.2509 -2.2509 -1.4900 -1.4900 -1.1583 -1.1583 -1.0190 -1.0190 -0.8459 -0.8459 -0.8173 -0.8173 -0.7053 -0.7053 -0.6233 -0.6233 -0.2547 -0.2547 -0.2429 -0.2429 -0.2181 -0.2181 -0.1878 -0.1878 0.8943 0.8943 5.4825 5.4825 Writing output data file PdxNCl2x2.save init_run : 0.62s CPU 0.81s WALL ( 1 calls) electrons : 245.22s CPU 248.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 245.21s CPU 248.08s WALL ( 1 calls) v_of_rho : 0.02s 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 : 0.17s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.09s WALL ( 270 calls) cegterg : 220.22s CPU 222.26s WALL ( 270 calls) Called by sum_band: Called by *egterg: h_psi : 156.10s CPU 158.36s WALL ( 4363 calls) s_psi : 6.89s CPU 6.87s WALL ( 4363 calls) g_psi : 0.23s CPU 0.27s WALL ( 3823 calls) cdiaghg : 52.75s CPU 52.92s WALL ( 4093 calls) cegterg:over : 10.14s CPU 10.21s WALL ( 3823 calls) cegterg:upda : 6.74s CPU 6.81s WALL ( 3823 calls) cegterg:last : 4.82s CPU 4.80s WALL ( 810 calls) cdiaghg:chol : 2.33s CPU 2.31s WALL ( 4093 calls) cdiaghg:inve : 1.33s CPU 1.32s WALL ( 4093 calls) cdiaghg:para : 2.85s CPU 3.03s WALL ( 8186 calls) Called by h_psi: h_psi:vloc : 140.60s CPU 142.68s WALL ( 4363 calls) h_psi:vnl : 15.28s CPU 15.42s WALL ( 4363 calls) add_vuspsi : 7.81s CPU 7.97s WALL ( 4363 calls) General routines calbec : 7.46s CPU 7.44s WALL ( 4363 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 134.28s CPU 135.97s WALL ( 654284 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.22s CPU 0.31s WALL ( 540 calls) Parallel routines fft_scatter : 82.14s CPU 83.49s WALL ( 654307 calls) PWSCF : 4m49.36s CPU 5m 6.56s WALL This run was terminated on: 9:34:50 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=