Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:35:51 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./RbCaAs.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 38 11 3009 1642 255 Max 58 39 12 3016 1667 260 Sum 2061 1369 401 108443 59513 9275 bravais-lattice index = 14 lattice parameter (alat) = 9.7170 a.u. unit-cell volume = 1415.2832 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.716971 celldm(2)= 1.000000 celldm(3)= 1.542590 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.542590 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.648260 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Ca 10.00 40.07800 Ca( 1.00) Rb 9.00 85.46780 Rb( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 281 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0000000 0.0161290 -0.0000000), wk = 0.0035587 k( 3) = ( 0.0000000 0.0322581 -0.0000000), wk = 0.0035587 k( 4) = ( 0.0000000 0.0483871 -0.0000000), wk = 0.0035587 k( 5) = ( 0.0000000 0.0645161 -0.0000000), wk = 0.0035587 k( 6) = ( 0.0000000 0.0806452 -0.0000000), wk = 0.0035587 k( 7) = ( 0.0000000 0.0967742 -0.0000000), wk = 0.0035587 k( 8) = ( 0.0000000 0.1129032 -0.0000000), wk = 0.0035587 k( 9) = ( 0.0000000 0.1290323 -0.0000000), wk = 0.0035587 k( 10) = ( 0.0000000 0.1451613 -0.0000000), wk = 0.0035587 k( 11) = ( 0.0000000 0.1612903 -0.0000000), wk = 0.0035587 k( 12) = ( 0.0000000 0.1774194 -0.0000000), wk = 0.0035587 k( 13) = ( 0.0000000 0.1935484 -0.0000000), wk = 0.0035587 k( 14) = ( 0.0000000 0.2096774 -0.0000000), wk = 0.0035587 k( 15) = ( 0.0000000 0.2258064 -0.0000000), wk = 0.0035587 k( 16) = ( 0.0000000 0.2419355 -0.0000000), wk = 0.0035587 k( 17) = ( 0.0000000 0.2580645 -0.0000000), wk = 0.0035587 k( 18) = ( 0.0000000 0.2741936 -0.0000000), wk = 0.0035587 k( 19) = ( 0.0000000 0.2903226 -0.0000000), wk = 0.0035587 k( 20) = ( 0.0000000 0.3064516 -0.0000000), wk = 0.0035587 k( 21) = ( 0.0000000 0.3225807 -0.0000000), wk = 0.0035587 k( 22) = ( 0.0000000 0.3387097 -0.0000000), wk = 0.0035587 k( 23) = ( 0.0000000 0.3548387 -0.0000000), wk = 0.0035587 k( 24) = ( 0.0000000 0.3709677 -0.0000000), wk = 0.0035587 k( 25) = ( 0.0000000 0.3870968 -0.0000000), wk = 0.0035587 k( 26) = ( 0.0000000 0.4032258 -0.0000000), wk = 0.0035587 k( 27) = ( 0.0000000 0.4193548 -0.0000000), wk = 0.0035587 k( 28) = ( 0.0000000 0.4354839 -0.0000000), wk = 0.0035587 k( 29) = ( 0.0000000 0.4516129 -0.0000000), wk = 0.0035587 k( 30) = ( 0.0000000 0.4677419 -0.0000000), wk = 0.0035587 k( 31) = ( 0.0000000 0.4838710 -0.0000000), wk = 0.0035587 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035587 k( 33) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035587 k( 34) = ( 0.0161290 0.5000000 -0.0000000), wk = 0.0035587 k( 35) = ( 0.0322581 0.5000000 -0.0000000), wk = 0.0035587 k( 36) = ( 0.0483871 0.5000000 -0.0000000), wk = 0.0035587 k( 37) = ( 0.0645161 0.5000000 -0.0000000), wk = 0.0035587 k( 38) = ( 0.0806452 0.5000000 -0.0000000), wk = 0.0035587 k( 39) = ( 0.0967742 0.5000000 -0.0000000), wk = 0.0035587 k( 40) = ( 0.1129032 0.5000000 -0.0000000), wk = 0.0035587 k( 41) = ( 0.1290323 0.5000000 -0.0000000), wk = 0.0035587 k( 42) = ( 0.1451613 0.5000000 -0.0000000), wk = 0.0035587 k( 43) = ( 0.1612903 0.5000000 -0.0000000), wk = 0.0035587 k( 44) = ( 0.1774194 0.5000000 -0.0000000), wk = 0.0035587 k( 45) = ( 0.1935484 0.5000000 -0.0000000), wk = 0.0035587 k( 46) = ( 0.2096774 0.5000000 -0.0000000), wk = 0.0035587 k( 47) = ( 0.2258064 0.5000000 -0.0000000), wk = 0.0035587 k( 48) = ( 0.2419355 0.5000000 -0.0000000), wk = 0.0035587 k( 49) = ( 0.2580645 0.5000000 -0.0000000), wk = 0.0035587 k( 50) = ( 0.2741936 0.5000000 -0.0000000), wk = 0.0035587 k( 51) = ( 0.2903226 0.5000000 -0.0000000), wk = 0.0035587 k( 52) = ( 0.3064516 0.5000000 -0.0000000), wk = 0.0035587 k( 53) = ( 0.3225807 0.5000000 -0.0000000), wk = 0.0035587 k( 54) = ( 0.3387097 0.5000000 -0.0000000), wk = 0.0035587 k( 55) = ( 0.3548387 0.5000000 -0.0000000), wk = 0.0035587 k( 56) = ( 0.3709677 0.5000000 -0.0000000), wk = 0.0035587 k( 57) = ( 0.3870968 0.5000000 -0.0000000), wk = 0.0035587 k( 58) = ( 0.4032258 0.5000000 -0.0000000), wk = 0.0035587 k( 59) = ( 0.4193548 0.5000000 -0.0000000), wk = 0.0035587 k( 60) = ( 0.4354839 0.5000000 -0.0000000), wk = 0.0035587 k( 61) = ( 0.4516129 0.5000000 -0.0000000), wk = 0.0035587 k( 62) = ( 0.4677419 0.5000000 -0.0000000), wk = 0.0035587 k( 63) = ( 0.4838710 0.5000000 -0.0000000), wk = 0.0035587 k( 64) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035587 k( 65) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035587 k( 66) = ( 0.4886364 0.4886364 -0.0000000), wk = 0.0035587 k( 67) = ( 0.4772727 0.4772727 -0.0000000), wk = 0.0035587 k( 68) = ( 0.4659091 0.4659091 -0.0000000), wk = 0.0035587 k( 69) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0035587 k( 70) = ( 0.4431818 0.4431818 -0.0000000), wk = 0.0035587 k( 71) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0035587 k( 72) = ( 0.4204545 0.4204545 -0.0000000), wk = 0.0035587 k( 73) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0035587 k( 74) = ( 0.3977273 0.3977273 -0.0000000), wk = 0.0035587 k( 75) = ( 0.3863636 0.3863636 -0.0000000), wk = 0.0035587 k( 76) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0035587 k( 77) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0035587 k( 78) = ( 0.3522727 0.3522727 -0.0000000), wk = 0.0035587 k( 79) = ( 0.3409091 0.3409091 -0.0000000), wk = 0.0035587 k( 80) = ( 0.3295455 0.3295454 -0.0000000), wk = 0.0035587 k( 81) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0035587 k( 82) = ( 0.3068182 0.3068182 -0.0000000), wk = 0.0035587 k( 83) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0035587 k( 84) = ( 0.2840909 0.2840909 -0.0000000), wk = 0.0035587 k( 85) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0035587 k( 86) = ( 0.2613636 0.2613636 -0.0000000), wk = 0.0035587 k( 87) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0035587 k( 88) = ( 0.2386364 0.2386364 -0.0000000), wk = 0.0035587 k( 89) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0035587 k( 90) = ( 0.2159091 0.2159091 -0.0000000), wk = 0.0035587 k( 91) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0035587 k( 92) = ( 0.1931818 0.1931818 -0.0000000), wk = 0.0035587 k( 93) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0035587 k( 94) = ( 0.1704546 0.1704545 -0.0000000), wk = 0.0035587 k( 95) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0035587 k( 96) = ( 0.1477273 0.1477273 -0.0000000), wk = 0.0035587 k( 97) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0035587 k( 98) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0035587 k( 99) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0035587 k( 100) = ( 0.1022727 0.1022727 -0.0000000), wk = 0.0035587 k( 101) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0035587 k( 102) = ( 0.0795455 0.0795454 -0.0000000), wk = 0.0035587 k( 103) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0035587 k( 104) = ( 0.0568182 0.0568182 -0.0000000), wk = 0.0035587 k( 105) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0035587 k( 106) = ( 0.0340909 0.0340909 -0.0000000), wk = 0.0035587 k( 107) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0035587 k( 108) = ( 0.0113636 0.0113636 -0.0000000), wk = 0.0035587 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 111) = ( 0.0000000 0.0000000 0.0162065), wk = 0.0035587 k( 112) = ( 0.0000000 0.0000000 0.0324130), wk = 0.0035587 k( 113) = ( 0.0000000 0.0000000 0.0486195), wk = 0.0035587 k( 114) = ( 0.0000000 0.0000000 0.0648260), wk = 0.0035587 k( 115) = ( 0.0000000 0.0000000 0.0810325), wk = 0.0035587 k( 116) = ( 0.0000000 0.0000000 0.0972390), wk = 0.0035587 k( 117) = ( 0.0000000 0.0000000 0.1134455), wk = 0.0035587 k( 118) = ( 0.0000000 0.0000000 0.1296520), wk = 0.0035587 k( 119) = ( 0.0000000 0.0000000 0.1458585), wk = 0.0035587 k( 120) = ( 0.0000000 0.0000000 0.1620651), wk = 0.0035587 k( 121) = ( 0.0000000 0.0000000 0.1782716), wk = 0.0035587 k( 122) = ( 0.0000000 0.0000000 0.1944781), wk = 0.0035587 k( 123) = ( 0.0000000 0.0000000 0.2106846), wk = 0.0035587 k( 124) = ( 0.0000000 0.0000000 0.2268911), wk = 0.0035587 k( 125) = ( 0.0000000 0.0000000 0.2430976), wk = 0.0035587 k( 126) = ( 0.0000000 0.0000000 0.2593041), wk = 0.0035587 k( 127) = ( 0.0000000 0.0000000 0.2755106), wk = 0.0035587 k( 128) = ( 0.0000000 0.0000000 0.2917171), wk = 0.0035587 k( 129) = ( 0.0000000 0.0000000 0.3079236), wk = 0.0035587 k( 130) = ( 0.0000000 0.0000000 0.3241301), wk = 0.0035587 k( 131) = ( 0.0000000 0.0000000 0.3241301), wk = 0.0035587 k( 132) = ( 0.0000000 0.0161290 0.3241301), wk = 0.0035587 k( 133) = ( 0.0000000 0.0322581 0.3241301), wk = 0.0035587 k( 134) = ( 0.0000000 0.0483871 0.3241301), wk = 0.0035587 k( 135) = ( 0.0000000 0.0645161 0.3241301), wk = 0.0035587 k( 136) = ( 0.0000000 0.0806452 0.3241301), wk = 0.0035587 k( 137) = ( 0.0000000 0.0967742 0.3241301), wk = 0.0035587 k( 138) = ( 0.0000000 0.1129032 0.3241301), wk = 0.0035587 k( 139) = ( 0.0000000 0.1290323 0.3241301), wk = 0.0035587 k( 140) = ( 0.0000000 0.1451613 0.3241301), wk = 0.0035587 k( 141) = ( 0.0000000 0.1612903 0.3241301), wk = 0.0035587 k( 142) = ( 0.0000000 0.1774194 0.3241301), wk = 0.0035587 k( 143) = ( 0.0000000 0.1935484 0.3241301), wk = 0.0035587 k( 144) = ( 0.0000000 0.2096774 0.3241301), wk = 0.0035587 k( 145) = ( 0.0000000 0.2258064 0.3241301), wk = 0.0035587 k( 146) = ( 0.0000000 0.2419355 0.3241301), wk = 0.0035587 k( 147) = ( 0.0000000 0.2580645 0.3241301), wk = 0.0035587 k( 148) = ( 0.0000000 0.2741936 0.3241301), wk = 0.0035587 k( 149) = ( 0.0000000 0.2903226 0.3241301), wk = 0.0035587 k( 150) = ( 0.0000000 0.3064516 0.3241301), wk = 0.0035587 k( 151) = ( 0.0000000 0.3225807 0.3241301), wk = 0.0035587 k( 152) = ( 0.0000000 0.3387097 0.3241301), wk = 0.0035587 k( 153) = ( 0.0000000 0.3548387 0.3241301), wk = 0.0035587 k( 154) = ( 0.0000000 0.3709677 0.3241301), wk = 0.0035587 k( 155) = ( 0.0000000 0.3870968 0.3241301), wk = 0.0035587 k( 156) = ( 0.0000000 0.4032258 0.3241301), wk = 0.0035587 k( 157) = ( 0.0000000 0.4193548 0.3241301), wk = 0.0035587 k( 158) = ( 0.0000000 0.4354839 0.3241301), wk = 0.0035587 k( 159) = ( 0.0000000 0.4516129 0.3241301), wk = 0.0035587 k( 160) = ( 0.0000000 0.4677419 0.3241301), wk = 0.0035587 k( 161) = ( 0.0000000 0.4838710 0.3241301), wk = 0.0035587 k( 162) = ( 0.0000000 0.5000000 0.3241301), wk = 0.0035587 k( 163) = ( 0.0000000 0.5000000 0.3241301), wk = 0.0035587 k( 164) = ( 0.0161290 0.5000000 0.3241301), wk = 0.0035587 k( 165) = ( 0.0322581 0.5000000 0.3241301), wk = 0.0035587 k( 166) = ( 0.0483871 0.5000000 0.3241301), wk = 0.0035587 k( 167) = ( 0.0645161 0.5000000 0.3241301), wk = 0.0035587 k( 168) = ( 0.0806452 0.5000000 0.3241301), wk = 0.0035587 k( 169) = ( 0.0967742 0.5000000 0.3241301), wk = 0.0035587 k( 170) = ( 0.1129032 0.5000000 0.3241301), wk = 0.0035587 k( 171) = ( 0.1290323 0.5000000 0.3241301), wk = 0.0035587 k( 172) = ( 0.1451613 0.5000000 0.3241301), wk = 0.0035587 k( 173) = ( 0.1612903 0.5000000 0.3241301), wk = 0.0035587 k( 174) = ( 0.1774194 0.5000000 0.3241301), wk = 0.0035587 k( 175) = ( 0.1935484 0.5000000 0.3241301), wk = 0.0035587 k( 176) = ( 0.2096774 0.5000000 0.3241301), wk = 0.0035587 k( 177) = ( 0.2258064 0.5000000 0.3241301), wk = 0.0035587 k( 178) = ( 0.2419355 0.5000000 0.3241301), wk = 0.0035587 k( 179) = ( 0.2580645 0.5000000 0.3241301), wk = 0.0035587 k( 180) = ( 0.2741936 0.5000000 0.3241301), wk = 0.0035587 k( 181) = ( 0.2903226 0.5000000 0.3241301), wk = 0.0035587 k( 182) = ( 0.3064516 0.5000000 0.3241301), wk = 0.0035587 k( 183) = ( 0.3225807 0.5000000 0.3241301), wk = 0.0035587 k( 184) = ( 0.3387097 0.5000000 0.3241301), wk = 0.0035587 k( 185) = ( 0.3548387 0.5000000 0.3241301), wk = 0.0035587 k( 186) = ( 0.3709677 0.5000000 0.3241301), wk = 0.0035587 k( 187) = ( 0.3870968 0.5000000 0.3241301), wk = 0.0035587 k( 188) = ( 0.4032258 0.5000000 0.3241301), wk = 0.0035587 k( 189) = ( 0.4193548 0.5000000 0.3241301), wk = 0.0035587 k( 190) = ( 0.4354839 0.5000000 0.3241301), wk = 0.0035587 k( 191) = ( 0.4516129 0.5000000 0.3241301), wk = 0.0035587 k( 192) = ( 0.4677419 0.5000000 0.3241301), wk = 0.0035587 k( 193) = ( 0.4838710 0.5000000 0.3241301), wk = 0.0035587 k( 194) = ( 0.5000000 0.5000000 0.3241301), wk = 0.0035587 k( 195) = ( 0.5000000 0.5000000 0.3241301), wk = 0.0035587 k( 196) = ( 0.4886364 0.4886364 0.3241301), wk = 0.0035587 k( 197) = ( 0.4772727 0.4772727 0.3241301), wk = 0.0035587 k( 198) = ( 0.4659091 0.4659091 0.3241301), wk = 0.0035587 k( 199) = ( 0.4545455 0.4545454 0.3241301), wk = 0.0035587 k( 200) = ( 0.4431818 0.4431818 0.3241301), wk = 0.0035587 k( 201) = ( 0.4318182 0.4318182 0.3241301), wk = 0.0035587 k( 202) = ( 0.4204545 0.4204545 0.3241301), wk = 0.0035587 k( 203) = ( 0.4090909 0.4090909 0.3241301), wk = 0.0035587 k( 204) = ( 0.3977273 0.3977273 0.3241301), wk = 0.0035587 k( 205) = ( 0.3863636 0.3863636 0.3241301), wk = 0.0035587 k( 206) = ( 0.3750000 0.3750000 0.3241301), wk = 0.0035587 k( 207) = ( 0.3636364 0.3636364 0.3241301), wk = 0.0035587 k( 208) = ( 0.3522727 0.3522727 0.3241301), wk = 0.0035587 k( 209) = ( 0.3409091 0.3409091 0.3241301), wk = 0.0035587 k( 210) = ( 0.3295455 0.3295454 0.3241301), wk = 0.0035587 k( 211) = ( 0.3181818 0.3181818 0.3241301), wk = 0.0035587 k( 212) = ( 0.3068182 0.3068182 0.3241301), wk = 0.0035587 k( 213) = ( 0.2954545 0.2954545 0.3241301), wk = 0.0035587 k( 214) = ( 0.2840909 0.2840909 0.3241301), wk = 0.0035587 k( 215) = ( 0.2727273 0.2727273 0.3241301), wk = 0.0035587 k( 216) = ( 0.2613636 0.2613636 0.3241301), wk = 0.0035587 k( 217) = ( 0.2500000 0.2500000 0.3241301), wk = 0.0035587 k( 218) = ( 0.2386364 0.2386364 0.3241301), wk = 0.0035587 k( 219) = ( 0.2272727 0.2272727 0.3241301), wk = 0.0035587 k( 220) = ( 0.2159091 0.2159091 0.3241301), wk = 0.0035587 k( 221) = ( 0.2045454 0.2045454 0.3241301), wk = 0.0035587 k( 222) = ( 0.1931818 0.1931818 0.3241301), wk = 0.0035587 k( 223) = ( 0.1818182 0.1818182 0.3241301), wk = 0.0035587 k( 224) = ( 0.1704546 0.1704545 0.3241301), wk = 0.0035587 k( 225) = ( 0.1590909 0.1590909 0.3241301), wk = 0.0035587 k( 226) = ( 0.1477273 0.1477273 0.3241301), wk = 0.0035587 k( 227) = ( 0.1363636 0.1363636 0.3241301), wk = 0.0035587 k( 228) = ( 0.1250000 0.1250000 0.3241301), wk = 0.0035587 k( 229) = ( 0.1136364 0.1136364 0.3241301), wk = 0.0035587 k( 230) = ( 0.1022727 0.1022727 0.3241301), wk = 0.0035587 k( 231) = ( 0.0909091 0.0909091 0.3241301), wk = 0.0035587 k( 232) = ( 0.0795455 0.0795454 0.3241301), wk = 0.0035587 k( 233) = ( 0.0681818 0.0681818 0.3241301), wk = 0.0035587 k( 234) = ( 0.0568182 0.0568182 0.3241301), wk = 0.0035587 k( 235) = ( 0.0454546 0.0454545 0.3241301), wk = 0.0035587 k( 236) = ( 0.0340909 0.0340909 0.3241301), wk = 0.0035587 k( 237) = ( 0.0227273 0.0227273 0.3241301), wk = 0.0035587 k( 238) = ( 0.0113636 0.0113636 0.3241301), wk = 0.0035587 k( 239) = ( 0.0000000 0.0000000 0.3241301), wk = 0.0035587 k( 240) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035587 k( 241) = ( 0.0000000 0.5000000 0.0162065), wk = 0.0035587 k( 242) = ( 0.0000000 0.5000000 0.0324130), wk = 0.0035587 k( 243) = ( 0.0000000 0.5000000 0.0486195), wk = 0.0035587 k( 244) = ( 0.0000000 0.5000000 0.0648260), wk = 0.0035587 k( 245) = ( 0.0000000 0.5000000 0.0810325), wk = 0.0035587 k( 246) = ( 0.0000000 0.5000000 0.0972390), wk = 0.0035587 k( 247) = ( 0.0000000 0.5000000 0.1134455), wk = 0.0035587 k( 248) = ( 0.0000000 0.5000000 0.1296520), wk = 0.0035587 k( 249) = ( 0.0000000 0.5000000 0.1458585), wk = 0.0035587 k( 250) = ( 0.0000000 0.5000000 0.1620651), wk = 0.0035587 k( 251) = ( 0.0000000 0.5000000 0.1782716), wk = 0.0035587 k( 252) = ( 0.0000000 0.5000000 0.1944781), wk = 0.0035587 k( 253) = ( 0.0000000 0.5000000 0.2106846), wk = 0.0035587 k( 254) = ( 0.0000000 0.5000000 0.2268911), wk = 0.0035587 k( 255) = ( 0.0000000 0.5000000 0.2430976), wk = 0.0035587 k( 256) = ( 0.0000000 0.5000000 0.2593041), wk = 0.0035587 k( 257) = ( 0.0000000 0.5000000 0.2755106), wk = 0.0035587 k( 258) = ( 0.0000000 0.5000000 0.2917171), wk = 0.0035587 k( 259) = ( 0.0000000 0.5000000 0.3079236), wk = 0.0035587 k( 260) = ( 0.0000000 0.5000000 0.3241301), wk = 0.0035587 k( 261) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035587 k( 262) = ( 0.5000000 0.5000000 0.0162065), wk = 0.0035587 k( 263) = ( 0.5000000 0.5000000 0.0324130), wk = 0.0035587 k( 264) = ( 0.5000000 0.5000000 0.0486195), wk = 0.0035587 k( 265) = ( 0.5000000 0.5000000 0.0648260), wk = 0.0035587 k( 266) = ( 0.5000000 0.5000000 0.0810325), wk = 0.0035587 k( 267) = ( 0.5000000 0.5000000 0.0972390), wk = 0.0035587 k( 268) = ( 0.5000000 0.5000000 0.1134455), wk = 0.0035587 k( 269) = ( 0.5000000 0.5000000 0.1296520), wk = 0.0035587 k( 270) = ( 0.5000000 0.5000000 0.1458585), wk = 0.0035587 k( 271) = ( 0.5000000 0.5000000 0.1620651), wk = 0.0035587 k( 272) = ( 0.5000000 0.5000000 0.1782716), wk = 0.0035587 k( 273) = ( 0.5000000 0.5000000 0.1944781), wk = 0.0035587 k( 274) = ( 0.5000000 0.5000000 0.2106846), wk = 0.0035587 k( 275) = ( 0.5000000 0.5000000 0.2268911), wk = 0.0035587 k( 276) = ( 0.5000000 0.5000000 0.2430976), wk = 0.0035587 k( 277) = ( 0.5000000 0.5000000 0.2593041), wk = 0.0035587 k( 278) = ( 0.5000000 0.5000000 0.2755106), wk = 0.0035587 k( 279) = ( 0.5000000 0.5000000 0.2917171), wk = 0.0035587 k( 280) = ( 0.5000000 0.5000000 0.3079236), wk = 0.0035587 k( 281) = ( 0.5000000 0.5000000 0.3241301), wk = 0.0035587 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 2) = ( 0.0000000 0.0161290 0.0000000), wk = 0.0035587 k( 3) = ( 0.0000000 0.0322581 0.0000000), wk = 0.0035587 k( 4) = ( 0.0000000 0.0483871 0.0000000), wk = 0.0035587 k( 5) = ( 0.0000000 0.0645161 0.0000000), wk = 0.0035587 k( 6) = ( 0.0000000 0.0806452 0.0000000), wk = 0.0035587 k( 7) = ( 0.0000000 0.0967742 0.0000000), wk = 0.0035587 k( 8) = ( 0.0000000 0.1129032 0.0000000), wk = 0.0035587 k( 9) = ( 0.0000000 0.1290323 0.0000000), wk = 0.0035587 k( 10) = ( 0.0000000 0.1451613 -0.0000000), wk = 0.0035587 k( 11) = ( 0.0000000 0.1612903 0.0000000), wk = 0.0035587 k( 12) = ( 0.0000000 0.1774194 0.0000000), wk = 0.0035587 k( 13) = ( 0.0000000 0.1935484 0.0000000), wk = 0.0035587 k( 14) = ( 0.0000000 0.2096774 0.0000000), wk = 0.0035587 k( 15) = ( 0.0000000 0.2258064 0.0000000), wk = 0.0035587 k( 16) = ( 0.0000000 0.2419355 0.0000000), wk = 0.0035587 k( 17) = ( 0.0000000 0.2580645 0.0000000), wk = 0.0035587 k( 18) = ( 0.0000000 0.2741936 0.0000000), wk = 0.0035587 k( 19) = ( 0.0000000 0.2903226 -0.0000000), wk = 0.0035587 k( 20) = ( 0.0000000 0.3064516 0.0000000), wk = 0.0035587 k( 21) = ( 0.0000000 0.3225807 0.0000000), wk = 0.0035587 k( 22) = ( 0.0000000 0.3387097 0.0000000), wk = 0.0035587 k( 23) = ( 0.0000000 0.3548387 0.0000000), wk = 0.0035587 k( 24) = ( 0.0000000 0.3709677 -0.0000000), wk = 0.0035587 k( 25) = ( 0.0000000 0.3870968 0.0000000), wk = 0.0035587 k( 26) = ( 0.0000000 0.4032258 0.0000000), wk = 0.0035587 k( 27) = ( 0.0000000 0.4193548 0.0000000), wk = 0.0035587 k( 28) = ( 0.0000000 0.4354839 0.0000000), wk = 0.0035587 k( 29) = ( 0.0000000 0.4516129 0.0000000), wk = 0.0035587 k( 30) = ( 0.0000000 0.4677419 0.0000000), wk = 0.0035587 k( 31) = ( 0.0000000 0.4838710 0.0000000), wk = 0.0035587 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035587 k( 33) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035587 k( 34) = ( 0.0161290 0.5000000 0.0000000), wk = 0.0035587 k( 35) = ( 0.0322581 0.5000000 0.0000000), wk = 0.0035587 k( 36) = ( 0.0483871 0.5000000 0.0000000), wk = 0.0035587 k( 37) = ( 0.0645161 0.5000000 0.0000000), wk = 0.0035587 k( 38) = ( 0.0806452 0.5000000 0.0000000), wk = 0.0035587 k( 39) = ( 0.0967742 0.5000000 -0.0000000), wk = 0.0035587 k( 40) = ( 0.1129032 0.5000000 -0.0000000), wk = 0.0035587 k( 41) = ( 0.1290323 0.5000000 0.0000000), wk = 0.0035587 k( 42) = ( 0.1451613 0.5000000 0.0000000), wk = 0.0035587 k( 43) = ( 0.1612903 0.5000000 0.0000000), wk = 0.0035587 k( 44) = ( 0.1774194 0.5000000 0.0000000), wk = 0.0035587 k( 45) = ( 0.1935484 0.5000000 0.0000000), wk = 0.0035587 k( 46) = ( 0.2096774 0.5000000 0.0000000), wk = 0.0035587 k( 47) = ( 0.2258064 0.5000000 0.0000000), wk = 0.0035587 k( 48) = ( 0.2419355 0.5000000 -0.0000000), wk = 0.0035587 k( 49) = ( 0.2580645 0.5000000 -0.0000000), wk = 0.0035587 k( 50) = ( 0.2741936 0.5000000 0.0000000), wk = 0.0035587 k( 51) = ( 0.2903226 0.5000000 -0.0000000), wk = 0.0035587 k( 52) = ( 0.3064516 0.5000000 0.0000000), wk = 0.0035587 k( 53) = ( 0.3225807 0.5000000 0.0000000), wk = 0.0035587 k( 54) = ( 0.3387097 0.5000000 0.0000000), wk = 0.0035587 k( 55) = ( 0.3548387 0.5000000 -0.0000000), wk = 0.0035587 k( 56) = ( 0.3709677 0.5000000 -0.0000000), wk = 0.0035587 k( 57) = ( 0.3870968 0.5000000 0.0000000), wk = 0.0035587 k( 58) = ( 0.4032258 0.5000000 0.0000000), wk = 0.0035587 k( 59) = ( 0.4193548 0.5000000 0.0000000), wk = 0.0035587 k( 60) = ( 0.4354839 0.5000000 -0.0000000), wk = 0.0035587 k( 61) = ( 0.4516129 0.5000000 0.0000000), wk = 0.0035587 k( 62) = ( 0.4677419 0.5000000 0.0000000), wk = 0.0035587 k( 63) = ( 0.4838710 0.5000000 0.0000000), wk = 0.0035587 k( 64) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035587 k( 65) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035587 k( 66) = ( 0.4886364 0.4886364 0.0000000), wk = 0.0035587 k( 67) = ( 0.4772727 0.4772727 0.0000000), wk = 0.0035587 k( 68) = ( 0.4659091 0.4659091 0.0000000), wk = 0.0035587 k( 69) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0035587 k( 70) = ( 0.4431818 0.4431818 0.0000000), wk = 0.0035587 k( 71) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0035587 k( 72) = ( 0.4204545 0.4204545 -0.0000000), wk = 0.0035587 k( 73) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0035587 k( 74) = ( 0.3977273 0.3977273 -0.0000000), wk = 0.0035587 k( 75) = ( 0.3863636 0.3863636 0.0000000), wk = 0.0035587 k( 76) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0035587 k( 77) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0035587 k( 78) = ( 0.3522727 0.3522727 0.0000000), wk = 0.0035587 k( 79) = ( 0.3409091 0.3409091 0.0000000), wk = 0.0035587 k( 80) = ( 0.3295455 0.3295455 0.0000000), wk = 0.0035587 k( 81) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0035587 k( 82) = ( 0.3068182 0.3068182 -0.0000000), wk = 0.0035587 k( 83) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0035587 k( 84) = ( 0.2840909 0.2840909 -0.0000000), wk = 0.0035587 k( 85) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0035587 k( 86) = ( 0.2613636 0.2613636 0.0000000), wk = 0.0035587 k( 87) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0035587 k( 88) = ( 0.2386364 0.2386364 0.0000000), wk = 0.0035587 k( 89) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0035587 k( 90) = ( 0.2159091 0.2159091 -0.0000000), wk = 0.0035587 k( 91) = ( 0.2045454 0.2045454 0.0000000), wk = 0.0035587 k( 92) = ( 0.1931818 0.1931818 0.0000000), wk = 0.0035587 k( 93) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0035587 k( 94) = ( 0.1704546 0.1704546 0.0000000), wk = 0.0035587 k( 95) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0035587 k( 96) = ( 0.1477273 0.1477273 0.0000000), wk = 0.0035587 k( 97) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0035587 k( 98) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0035587 k( 99) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0035587 k( 100) = ( 0.1022727 0.1022727 -0.0000000), wk = 0.0035587 k( 101) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0035587 k( 102) = ( 0.0795455 0.0795455 0.0000000), wk = 0.0035587 k( 103) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0035587 k( 104) = ( 0.0568182 0.0568182 -0.0000000), wk = 0.0035587 k( 105) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0035587 k( 106) = ( 0.0340909 0.0340909 0.0000000), wk = 0.0035587 k( 107) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0035587 k( 108) = ( 0.0113636 0.0113636 -0.0000000), wk = 0.0035587 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035587 k( 111) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0035587 k( 112) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0035587 k( 113) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0035587 k( 114) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035587 k( 115) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035587 k( 116) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0035587 k( 117) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0035587 k( 118) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035587 k( 119) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0035587 k( 120) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035587 k( 121) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0035587 k( 122) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035587 k( 123) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0035587 k( 124) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0035587 k( 125) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035587 k( 126) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035587 k( 127) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0035587 k( 128) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0035587 k( 129) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0035587 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 132) = ( 0.0000000 0.0161290 0.5000000), wk = 0.0035587 k( 133) = ( 0.0000000 0.0322581 0.5000000), wk = 0.0035587 k( 134) = ( 0.0000000 0.0483871 0.5000000), wk = 0.0035587 k( 135) = ( 0.0000000 0.0645161 0.5000000), wk = 0.0035587 k( 136) = ( 0.0000000 0.0806452 0.5000000), wk = 0.0035587 k( 137) = ( 0.0000000 0.0967742 0.5000000), wk = 0.0035587 k( 138) = ( 0.0000000 0.1129032 0.5000000), wk = 0.0035587 k( 139) = ( 0.0000000 0.1290323 0.5000000), wk = 0.0035587 k( 140) = ( 0.0000000 0.1451613 0.5000000), wk = 0.0035587 k( 141) = ( 0.0000000 0.1612903 0.5000000), wk = 0.0035587 k( 142) = ( 0.0000000 0.1774194 0.5000000), wk = 0.0035587 k( 143) = ( 0.0000000 0.1935484 0.5000000), wk = 0.0035587 k( 144) = ( 0.0000000 0.2096774 0.5000000), wk = 0.0035587 k( 145) = ( 0.0000000 0.2258064 0.5000000), wk = 0.0035587 k( 146) = ( 0.0000000 0.2419355 0.5000000), wk = 0.0035587 k( 147) = ( 0.0000000 0.2580645 0.5000000), wk = 0.0035587 k( 148) = ( 0.0000000 0.2741936 0.5000000), wk = 0.0035587 k( 149) = ( 0.0000000 0.2903226 0.5000000), wk = 0.0035587 k( 150) = ( 0.0000000 0.3064516 0.5000000), wk = 0.0035587 k( 151) = ( 0.0000000 0.3225807 0.5000000), wk = 0.0035587 k( 152) = ( 0.0000000 0.3387097 0.5000000), wk = 0.0035587 k( 153) = ( 0.0000000 0.3548387 0.5000000), wk = 0.0035587 k( 154) = ( 0.0000000 0.3709677 0.5000000), wk = 0.0035587 k( 155) = ( 0.0000000 0.3870968 0.5000000), wk = 0.0035587 k( 156) = ( 0.0000000 0.4032258 0.5000000), wk = 0.0035587 k( 157) = ( 0.0000000 0.4193548 0.5000000), wk = 0.0035587 k( 158) = ( 0.0000000 0.4354839 0.5000000), wk = 0.0035587 k( 159) = ( 0.0000000 0.4516129 0.5000000), wk = 0.0035587 k( 160) = ( 0.0000000 0.4677419 0.5000000), wk = 0.0035587 k( 161) = ( 0.0000000 0.4838710 0.5000000), wk = 0.0035587 k( 162) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035587 k( 163) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035587 k( 164) = ( 0.0161290 0.5000000 0.5000000), wk = 0.0035587 k( 165) = ( 0.0322581 0.5000000 0.5000000), wk = 0.0035587 k( 166) = ( 0.0483871 0.5000000 0.5000000), wk = 0.0035587 k( 167) = ( 0.0645161 0.5000000 0.5000000), wk = 0.0035587 k( 168) = ( 0.0806452 0.5000000 0.5000000), wk = 0.0035587 k( 169) = ( 0.0967742 0.5000000 0.5000000), wk = 0.0035587 k( 170) = ( 0.1129032 0.5000000 0.5000000), wk = 0.0035587 k( 171) = ( 0.1290323 0.5000000 0.5000000), wk = 0.0035587 k( 172) = ( 0.1451613 0.5000000 0.5000000), wk = 0.0035587 k( 173) = ( 0.1612903 0.5000000 0.5000000), wk = 0.0035587 k( 174) = ( 0.1774194 0.5000000 0.5000000), wk = 0.0035587 k( 175) = ( 0.1935484 0.5000000 0.5000000), wk = 0.0035587 k( 176) = ( 0.2096774 0.5000000 0.5000000), wk = 0.0035587 k( 177) = ( 0.2258064 0.5000000 0.5000000), wk = 0.0035587 k( 178) = ( 0.2419355 0.5000000 0.5000000), wk = 0.0035587 k( 179) = ( 0.2580645 0.5000000 0.5000000), wk = 0.0035587 k( 180) = ( 0.2741936 0.5000000 0.5000000), wk = 0.0035587 k( 181) = ( 0.2903226 0.5000000 0.5000000), wk = 0.0035587 k( 182) = ( 0.3064516 0.5000000 0.5000000), wk = 0.0035587 k( 183) = ( 0.3225807 0.5000000 0.5000000), wk = 0.0035587 k( 184) = ( 0.3387097 0.5000000 0.5000000), wk = 0.0035587 k( 185) = ( 0.3548387 0.5000000 0.5000000), wk = 0.0035587 k( 186) = ( 0.3709677 0.5000000 0.5000000), wk = 0.0035587 k( 187) = ( 0.3870968 0.5000000 0.5000000), wk = 0.0035587 k( 188) = ( 0.4032258 0.5000000 0.5000000), wk = 0.0035587 k( 189) = ( 0.4193548 0.5000000 0.5000000), wk = 0.0035587 k( 190) = ( 0.4354839 0.5000000 0.5000000), wk = 0.0035587 k( 191) = ( 0.4516129 0.5000000 0.5000000), wk = 0.0035587 k( 192) = ( 0.4677419 0.5000000 0.5000000), wk = 0.0035587 k( 193) = ( 0.4838710 0.5000000 0.5000000), wk = 0.0035587 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035587 k( 195) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035587 k( 196) = ( 0.4886364 0.4886364 0.5000000), wk = 0.0035587 k( 197) = ( 0.4772727 0.4772727 0.5000000), wk = 0.0035587 k( 198) = ( 0.4659091 0.4659091 0.5000000), wk = 0.0035587 k( 199) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0035587 k( 200) = ( 0.4431818 0.4431818 0.5000000), wk = 0.0035587 k( 201) = ( 0.4318182 0.4318182 0.5000000), wk = 0.0035587 k( 202) = ( 0.4204545 0.4204545 0.5000000), wk = 0.0035587 k( 203) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0035587 k( 204) = ( 0.3977273 0.3977273 0.5000000), wk = 0.0035587 k( 205) = ( 0.3863636 0.3863636 0.5000000), wk = 0.0035587 k( 206) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0035587 k( 207) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0035587 k( 208) = ( 0.3522727 0.3522727 0.5000000), wk = 0.0035587 k( 209) = ( 0.3409091 0.3409091 0.5000000), wk = 0.0035587 k( 210) = ( 0.3295455 0.3295455 0.5000000), wk = 0.0035587 k( 211) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0035587 k( 212) = ( 0.3068182 0.3068182 0.5000000), wk = 0.0035587 k( 213) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0035587 k( 214) = ( 0.2840909 0.2840909 0.5000000), wk = 0.0035587 k( 215) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0035587 k( 216) = ( 0.2613636 0.2613636 0.5000000), wk = 0.0035587 k( 217) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0035587 k( 218) = ( 0.2386364 0.2386364 0.5000000), wk = 0.0035587 k( 219) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0035587 k( 220) = ( 0.2159091 0.2159091 0.5000000), wk = 0.0035587 k( 221) = ( 0.2045454 0.2045454 0.5000000), wk = 0.0035587 k( 222) = ( 0.1931818 0.1931818 0.5000000), wk = 0.0035587 k( 223) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0035587 k( 224) = ( 0.1704546 0.1704546 0.5000000), wk = 0.0035587 k( 225) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0035587 k( 226) = ( 0.1477273 0.1477273 0.5000000), wk = 0.0035587 k( 227) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0035587 k( 228) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0035587 k( 229) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0035587 k( 230) = ( 0.1022727 0.1022727 0.5000000), wk = 0.0035587 k( 231) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0035587 k( 232) = ( 0.0795455 0.0795455 0.5000000), wk = 0.0035587 k( 233) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0035587 k( 234) = ( 0.0568182 0.0568182 0.5000000), wk = 0.0035587 k( 235) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0035587 k( 236) = ( 0.0340909 0.0340909 0.5000000), wk = 0.0035587 k( 237) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0035587 k( 238) = ( 0.0113636 0.0113636 0.5000000), wk = 0.0035587 k( 239) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035587 k( 240) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035587 k( 241) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0035587 k( 242) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0035587 k( 243) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0035587 k( 244) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0035587 k( 245) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0035587 k( 246) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0035587 k( 247) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0035587 k( 248) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0035587 k( 249) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0035587 k( 250) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0035587 k( 251) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0035587 k( 252) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0035587 k( 253) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0035587 k( 254) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0035587 k( 255) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0035587 k( 256) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0035587 k( 257) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0035587 k( 258) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0035587 k( 259) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0035587 k( 260) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035587 k( 261) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035587 k( 262) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0035587 k( 263) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0035587 k( 264) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0035587 k( 265) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0035587 k( 266) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0035587 k( 267) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0035587 k( 268) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0035587 k( 269) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0035587 k( 270) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0035587 k( 271) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0035587 k( 272) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0035587 k( 273) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0035587 k( 274) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0035587 k( 275) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0035587 k( 276) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0035587 k( 277) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0035587 k( 278) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0035587 k( 279) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0035587 k( 280) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0035587 k( 281) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035587 Dense grid: 108443 G-vectors FFT dimensions: ( 54, 54, 80) Smooth grid: 59513 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 444, 58) NL pseudopotentials 0.56 Mb ( 222, 164) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.02 Mb ( 3011) G-vector shells 0.01 Mb ( 1534) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.57 Mb ( 444, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./RbCaAs.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 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 5.6 secs Computing kpt #: 4 total cpu time spent up to now is 6.6 secs Computing kpt #: 5 total cpu time spent up to now is 7.7 secs Computing kpt #: 6 total cpu time spent up to now is 8.7 secs Computing kpt #: 7 total cpu time spent up to now is 9.9 secs Computing kpt #: 8 total cpu time spent up to now is 11.0 secs Computing kpt #: 9 total cpu time spent up to now is 12.1 secs Computing kpt #: 10 total cpu time spent up to now is 13.6 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 15.8 secs Computing kpt #: 12 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 17.9 secs Computing kpt #: 13 total cpu time spent up to now is 19.3 secs Computing kpt #: 14 total cpu time spent up to now is 21.1 secs Computing kpt #: 15 total cpu time spent up to now is 22.6 secs Computing kpt #: 16 total cpu time spent up to now is 24.0 secs Computing kpt #: 17 total cpu time spent up to now is 25.5 secs Computing kpt #: 18 total cpu time spent up to now is 27.5 secs Computing kpt #: 19 total cpu time spent up to now is 29.1 secs Computing kpt #: 20 total cpu time spent up to now is 30.7 secs Computing kpt #: 21 total cpu time spent up to now is 31.9 secs Computing kpt #: 22 total cpu time spent up to now is 33.2 secs Computing kpt #: 23 total cpu time spent up to now is 34.4 secs Computing kpt #: 24 total cpu time spent up to now is 36.0 secs Computing kpt #: 25 total cpu time spent up to now is 37.5 secs Computing kpt #: 26 total cpu time spent up to now is 39.1 secs Computing kpt #: 27 total cpu time spent up to now is 40.4 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.5 secs Computing kpt #: 29 total cpu time spent up to now is 43.8 secs Computing kpt #: 30 total cpu time spent up to now is 45.2 secs Computing kpt #: 31 total cpu time spent up to now is 46.5 secs Computing kpt #: 32 total cpu time spent up to now is 47.7 secs Computing kpt #: 33 total cpu time spent up to now is 49.0 secs Computing kpt #: 34 total cpu time spent up to now is 50.3 secs Computing kpt #: 35 total cpu time spent up to now is 51.6 secs Computing kpt #: 36 total cpu time spent up to now is 52.9 secs Computing kpt #: 37 total cpu time spent up to now is 54.1 secs Computing kpt #: 38 total cpu time spent up to now is 55.4 secs Computing kpt #: 39 total cpu time spent up to now is 56.7 secs Computing kpt #: 40 total cpu time spent up to now is 58.0 secs Computing kpt #: 41 total cpu time spent up to now is 59.3 secs Computing kpt #: 42 total cpu time spent up to now is 60.6 secs Computing kpt #: 43 total cpu time spent up to now is 61.9 secs Computing kpt #: 44 total cpu time spent up to now is 63.2 secs Computing kpt #: 45 total cpu time spent up to now is 64.5 secs Computing kpt #: 46 total cpu time spent up to now is 65.8 secs Computing kpt #: 47 total cpu time spent up to now is 67.2 secs Computing kpt #: 48 total cpu time spent up to now is 68.7 secs Computing kpt #: 49 total cpu time spent up to now is 70.1 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 72.3 secs Computing kpt #: 51 total cpu time spent up to now is 73.7 secs Computing kpt #: 52 total cpu time spent up to now is 75.2 secs Computing kpt #: 53 total cpu time spent up to now is 76.6 secs Computing kpt #: 54 total cpu time spent up to now is 78.4 secs Computing kpt #: 55 total cpu time spent up to now is 79.6 secs Computing kpt #: 56 total cpu time spent up to now is 80.7 secs Computing kpt #: 57 total cpu time spent up to now is 81.8 secs Computing kpt #: 58 total cpu time spent up to now is 83.0 secs Computing kpt #: 59 total cpu time spent up to now is 84.1 secs Computing kpt #: 60 total cpu time spent up to now is 85.2 secs Computing kpt #: 61 total cpu time spent up to now is 86.3 secs Computing kpt #: 62 total cpu time spent up to now is 87.4 secs Computing kpt #: 63 total cpu time spent up to now is 88.5 secs Computing kpt #: 64 total cpu time spent up to now is 89.7 secs Computing kpt #: 65 total cpu time spent up to now is 90.8 secs Computing kpt #: 66 total cpu time spent up to now is 91.9 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.0 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.2 secs Computing kpt #: 69 total cpu time spent up to now is 98.0 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.1 secs Computing kpt #: 71 total cpu time spent up to now is 101.8 secs Computing kpt #: 72 total cpu time spent up to now is 103.3 secs Computing kpt #: 73 total cpu time spent up to now is 104.7 secs Computing kpt #: 74 total cpu time spent up to now is 106.0 secs Computing kpt #: 75 total cpu time spent up to now is 107.2 secs Computing kpt #: 76 total cpu time spent up to now is 108.3 secs Computing kpt #: 77 total cpu time spent up to now is 109.4 secs Computing kpt #: 78 total cpu time spent up to now is 110.5 secs Computing kpt #: 79 total cpu time spent up to now is 111.5 secs Computing kpt #: 80 total cpu time spent up to now is 112.5 secs Computing kpt #: 81 total cpu time spent up to now is 113.5 secs Computing kpt #: 82 total cpu time spent up to now is 114.5 secs Computing kpt #: 83 total cpu time spent up to now is 115.7 secs Computing kpt #: 84 total cpu time spent up to now is 116.9 secs Computing kpt #: 85 total cpu time spent up to now is 118.1 secs Computing kpt #: 86 total cpu time spent up to now is 119.3 secs Computing kpt #: 87 total cpu time spent up to now is 120.5 secs Computing kpt #: 88 total cpu time spent up to now is 121.8 secs Computing kpt #: 89 total cpu time spent up to now is 123.1 secs Computing kpt #: 90 total cpu time spent up to now is 124.5 secs Computing kpt #: 91 total cpu time spent up to now is 125.6 secs Computing kpt #: 92 total cpu time spent up to now is 126.8 secs Computing kpt #: 93 total cpu time spent up to now is 127.9 secs Computing kpt #: 94 total cpu time spent up to now is 129.1 secs Computing kpt #: 95 total cpu time spent up to now is 130.3 secs Computing kpt #: 96 total cpu time spent up to now is 131.7 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 133.8 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 135.9 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 138.0 secs Computing kpt #: 100 total cpu time spent up to now is 139.3 secs Computing kpt #: 101 total cpu time spent up to now is 140.4 secs Computing kpt #: 102 total cpu time spent up to now is 141.5 secs Computing kpt #: 103 total cpu time spent up to now is 142.6 secs Computing kpt #: 104 total cpu time spent up to now is 143.7 secs Computing kpt #: 105 total cpu time spent up to now is 144.6 secs Computing kpt #: 106 total cpu time spent up to now is 145.6 secs Computing kpt #: 107 total cpu time spent up to now is 146.6 secs Computing kpt #: 108 total cpu time spent up to now is 147.6 secs Computing kpt #: 109 total cpu time spent up to now is 148.6 secs Computing kpt #: 110 total cpu time spent up to now is 149.6 secs Computing kpt #: 111 total cpu time spent up to now is 150.5 secs Computing kpt #: 112 total cpu time spent up to now is 151.5 secs Computing kpt #: 113 total cpu time spent up to now is 152.4 secs Computing kpt #: 114 total cpu time spent up to now is 153.3 secs Computing kpt #: 115 total cpu time spent up to now is 154.2 secs Computing kpt #: 116 total cpu time spent up to now is 155.1 secs Computing kpt #: 117 total cpu time spent up to now is 156.0 secs Computing kpt #: 118 total cpu time spent up to now is 156.9 secs Computing kpt #: 119 total cpu time spent up to now is 157.8 secs Computing kpt #: 120 total cpu time spent up to now is 158.8 secs Computing kpt #: 121 total cpu time spent up to now is 159.7 secs Computing kpt #: 122 total cpu time spent up to now is 160.7 secs Computing kpt #: 123 total cpu time spent up to now is 161.6 secs Computing kpt #: 124 total cpu time spent up to now is 162.5 secs Computing kpt #: 125 total cpu time spent up to now is 163.5 secs Computing kpt #: 126 total cpu time spent up to now is 164.4 secs Computing kpt #: 127 total cpu time spent up to now is 165.3 secs Computing kpt #: 128 total cpu time spent up to now is 166.3 secs Computing kpt #: 129 total cpu time spent up to now is 167.2 secs Computing kpt #: 130 total cpu time spent up to now is 168.1 secs Computing kpt #: 131 total cpu time spent up to now is 169.1 secs Computing kpt #: 132 total cpu time spent up to now is 170.0 secs Computing kpt #: 133 total cpu time spent up to now is 170.9 secs Computing kpt #: 134 total cpu time spent up to now is 171.8 secs Computing kpt #: 135 total cpu time spent up to now is 172.8 secs Computing kpt #: 136 total cpu time spent up to now is 173.7 secs Computing kpt #: 137 total cpu time spent up to now is 174.7 secs Computing kpt #: 138 total cpu time spent up to now is 175.6 secs Computing kpt #: 139 total cpu time spent up to now is 176.5 secs Computing kpt #: 140 total cpu time spent up to now is 177.5 secs Computing kpt #: 141 total cpu time spent up to now is 178.5 secs Computing kpt #: 142 total cpu time spent up to now is 179.4 secs Computing kpt #: 143 total cpu time spent up to now is 180.4 secs Computing kpt #: 144 total cpu time spent up to now is 181.4 secs Computing kpt #: 145 total cpu time spent up to now is 182.4 secs Computing kpt #: 146 total cpu time spent up to now is 183.5 secs Computing kpt #: 147 total cpu time spent up to now is 184.6 secs Computing kpt #: 148 total cpu time spent up to now is 185.6 secs Computing kpt #: 149 total cpu time spent up to now is 186.6 secs Computing kpt #: 150 total cpu time spent up to now is 187.6 secs Computing kpt #: 151 total cpu time spent up to now is 188.7 secs Computing kpt #: 152 total cpu time spent up to now is 189.7 secs Computing kpt #: 153 total cpu time spent up to now is 190.8 secs Computing kpt #: 154 total cpu time spent up to now is 191.9 secs Computing kpt #: 155 total cpu time spent up to now is 193.0 secs Computing kpt #: 156 total cpu time spent up to now is 194.2 secs Computing kpt #: 157 total cpu time spent up to now is 195.6 secs Computing kpt #: 158 total cpu time spent up to now is 197.2 secs Computing kpt #: 159 total cpu time spent up to now is 198.9 secs Computing kpt #: 160 total cpu time spent up to now is 200.2 secs Computing kpt #: 161 total cpu time spent up to now is 201.4 secs Computing kpt #: 162 total cpu time spent up to now is 202.8 secs Computing kpt #: 163 total cpu time spent up to now is 204.0 secs Computing kpt #: 164 total cpu time spent up to now is 205.3 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 207.5 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 209.6 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 211.8 secs Computing kpt #: 168 total cpu time spent up to now is 213.1 secs Computing kpt #: 169 total cpu time spent up to now is 214.5 secs Computing kpt #: 170 total cpu time spent up to now is 215.8 secs Computing kpt #: 171 total cpu time spent up to now is 217.3 secs Computing kpt #: 172 total cpu time spent up to now is 218.6 secs Computing kpt #: 173 total cpu time spent up to now is 219.9 secs Computing kpt #: 174 total cpu time spent up to now is 221.5 secs Computing kpt #: 175 total cpu time spent up to now is 223.0 secs Computing kpt #: 176 total cpu time spent up to now is 224.5 secs Computing kpt #: 177 total cpu time spent up to now is 225.8 secs Computing kpt #: 178 total cpu time spent up to now is 227.3 secs Computing kpt #: 179 total cpu time spent up to now is 228.8 secs Computing kpt #: 180 total cpu time spent up to now is 230.1 secs Computing kpt #: 181 total cpu time spent up to now is 231.4 secs Computing kpt #: 182 total cpu time spent up to now is 232.8 secs Computing kpt #: 183 total cpu time spent up to now is 234.1 secs Computing kpt #: 184 total cpu time spent up to now is 235.2 secs Computing kpt #: 185 total cpu time spent up to now is 236.5 secs Computing kpt #: 186 total cpu time spent up to now is 237.7 secs Computing kpt #: 187 total cpu time spent up to now is 239.0 secs Computing kpt #: 188 total cpu time spent up to now is 240.3 secs Computing kpt #: 189 total cpu time spent up to now is 241.6 secs Computing kpt #: 190 total cpu time spent up to now is 243.0 secs Computing kpt #: 191 total cpu time spent up to now is 244.5 secs Computing kpt #: 192 total cpu time spent up to now is 245.8 secs Computing kpt #: 193 total cpu time spent up to now is 247.1 secs Computing kpt #: 194 total cpu time spent up to now is 248.2 secs Computing kpt #: 195 total cpu time spent up to now is 249.2 secs Computing kpt #: 196 total cpu time spent up to now is 250.4 secs Computing kpt #: 197 total cpu time spent up to now is 251.7 secs Computing kpt #: 198 total cpu time spent up to now is 252.9 secs Computing kpt #: 199 total cpu time spent up to now is 254.1 secs Computing kpt #: 200 total cpu time spent up to now is 255.3 secs Computing kpt #: 201 total cpu time spent up to now is 256.4 secs Computing kpt #: 202 total cpu time spent up to now is 257.4 secs Computing kpt #: 203 total cpu time spent up to now is 258.6 secs Computing kpt #: 204 total cpu time spent up to now is 259.7 secs Computing kpt #: 205 total cpu time spent up to now is 260.9 secs Computing kpt #: 206 total cpu time spent up to now is 262.2 secs Computing kpt #: 207 total cpu time spent up to now is 263.5 secs Computing kpt #: 208 total cpu time spent up to now is 264.7 secs Computing kpt #: 209 total cpu time spent up to now is 266.0 secs Computing kpt #: 210 total cpu time spent up to now is 267.4 secs Computing kpt #: 211 total cpu time spent up to now is 268.7 secs Computing kpt #: 212 total cpu time spent up to now is 270.1 secs Computing kpt #: 213 total cpu time spent up to now is 271.5 secs Computing kpt #: 214 total cpu time spent up to now is 272.6 secs Computing kpt #: 215 total cpu time spent up to now is 273.9 secs Computing kpt #: 216 total cpu time spent up to now is 275.2 secs Computing kpt #: 217 total cpu time spent up to now is 276.5 secs Computing kpt #: 218 total cpu time spent up to now is 277.7 secs Computing kpt #: 219 total cpu time spent up to now is 278.9 secs Computing kpt #: 220 total cpu time spent up to now is 280.2 secs Computing kpt #: 221 total cpu time spent up to now is 281.3 secs Computing kpt #: 222 total cpu time spent up to now is 282.4 secs Computing kpt #: 223 total cpu time spent up to now is 283.4 secs Computing kpt #: 224 total cpu time spent up to now is 284.6 secs Computing kpt #: 225 total cpu time spent up to now is 285.6 secs Computing kpt #: 226 total cpu time spent up to now is 286.6 secs Computing kpt #: 227 total cpu time spent up to now is 287.6 secs Computing kpt #: 228 total cpu time spent up to now is 288.5 secs Computing kpt #: 229 total cpu time spent up to now is 289.5 secs Computing kpt #: 230 total cpu time spent up to now is 290.4 secs Computing kpt #: 231 total cpu time spent up to now is 291.4 secs Computing kpt #: 232 total cpu time spent up to now is 292.3 secs Computing kpt #: 233 total cpu time spent up to now is 293.2 secs Computing kpt #: 234 total cpu time spent up to now is 294.2 secs Computing kpt #: 235 total cpu time spent up to now is 295.1 secs Computing kpt #: 236 total cpu time spent up to now is 296.0 secs Computing kpt #: 237 total cpu time spent up to now is 297.0 secs Computing kpt #: 238 total cpu time spent up to now is 297.9 secs Computing kpt #: 239 total cpu time spent up to now is 298.8 secs Computing kpt #: 240 total cpu time spent up to now is 300.2 secs Computing kpt #: 241 total cpu time spent up to now is 301.4 secs Computing kpt #: 242 total cpu time spent up to now is 302.6 secs Computing kpt #: 243 total cpu time spent up to now is 303.9 secs Computing kpt #: 244 total cpu time spent up to now is 305.2 secs Computing kpt #: 245 total cpu time spent up to now is 306.4 secs Computing kpt #: 246 total cpu time spent up to now is 307.7 secs Computing kpt #: 247 total cpu time spent up to now is 309.0 secs Computing kpt #: 248 total cpu time spent up to now is 310.3 secs Computing kpt #: 249 total cpu time spent up to now is 311.5 secs Computing kpt #: 250 total cpu time spent up to now is 312.8 secs Computing kpt #: 251 total cpu time spent up to now is 314.0 secs Computing kpt #: 252 total cpu time spent up to now is 315.2 secs Computing kpt #: 253 total cpu time spent up to now is 316.5 secs Computing kpt #: 254 total cpu time spent up to now is 317.7 secs Computing kpt #: 255 total cpu time spent up to now is 318.9 secs Computing kpt #: 256 total cpu time spent up to now is 320.2 secs Computing kpt #: 257 total cpu time spent up to now is 321.4 secs Computing kpt #: 258 total cpu time spent up to now is 322.6 secs Computing kpt #: 259 total cpu time spent up to now is 323.8 secs Computing kpt #: 260 total cpu time spent up to now is 325.1 secs Computing kpt #: 261 total cpu time spent up to now is 326.2 secs Computing kpt #: 262 total cpu time spent up to now is 327.3 secs Computing kpt #: 263 total cpu time spent up to now is 328.4 secs Computing kpt #: 264 total cpu time spent up to now is 329.5 secs Computing kpt #: 265 total cpu time spent up to now is 330.6 secs Computing kpt #: 266 total cpu time spent up to now is 331.6 secs Computing kpt #: 267 total cpu time spent up to now is 332.8 secs Computing kpt #: 268 total cpu time spent up to now is 333.8 secs Computing kpt #: 269 total cpu time spent up to now is 334.8 secs Computing kpt #: 270 total cpu time spent up to now is 335.9 secs Computing kpt #: 271 total cpu time spent up to now is 336.9 secs Computing kpt #: 272 total cpu time spent up to now is 337.9 secs Computing kpt #: 273 total cpu time spent up to now is 339.0 secs Computing kpt #: 274 total cpu time spent up to now is 340.0 secs Computing kpt #: 275 total cpu time spent up to now is 341.0 secs Computing kpt #: 276 total cpu time spent up to now is 342.0 secs Computing kpt #: 277 total cpu time spent up to now is 343.0 secs Computing kpt #: 278 total cpu time spent up to now is 344.0 secs Computing kpt #: 279 total cpu time spent up to now is 345.0 secs Computing kpt #: 280 total cpu time spent up to now is 346.0 secs Computing kpt #: 281 total cpu time spent up to now is 347.1 secs ethr = 2.08E-08, avg # of iterations = 48.7 total cpu time spent up to now is 347.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7453 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5700 -22.5700 -22.5357 -22.5357 -16.7546 -16.7546 -16.6886 -16.6886 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3377 -7.3377 -7.2076 -7.2076 -6.4904 -6.4904 -6.4661 -6.4661 -6.3617 -6.3617 -6.2933 -6.2933 -4.1403 -4.1403 -3.7342 -3.7342 3.2777 3.2777 3.9838 3.9838 4.2470 4.2470 4.2907 4.2907 4.3453 4.3453 4.4144 4.4144 5.8639 5.8639 6.8633 6.8633 7.0941 7.0941 7.4356 7.4356 8.8343 8.8343 k = 0.0000 0.0161-0.0000 ( 7457 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5700 -22.5700 -22.5357 -22.5357 -16.7545 -16.7545 -16.6886 -16.6886 -16.3943 -16.3943 -16.3659 -16.3659 -16.3328 -16.3328 -16.2451 -16.2451 -7.3376 -7.3376 -7.2077 -7.2077 -6.4905 -6.4905 -6.4661 -6.4661 -6.3616 -6.3616 -6.2935 -6.2935 -4.1397 -4.1397 -3.7341 -3.7341 3.2789 3.2789 3.9834 3.9834 4.2443 4.2443 4.2901 4.2901 4.3427 4.3427 4.4134 4.4134 5.8713 5.8713 6.8664 6.8664 7.0948 7.0948 7.4347 7.4347 8.8329 8.8329 k = 0.0000 0.0323-0.0000 ( 7455 PWs) bands (ev): -35.4324 -35.4324 -35.4070 -35.4070 -22.5699 -22.5699 -22.5357 -22.5357 -16.7544 -16.7544 -16.6887 -16.6887 -16.3941 -16.3941 -16.3658 -16.3658 -16.3330 -16.3330 -16.2454 -16.2454 -7.3375 -7.3375 -7.2082 -7.2082 -6.4906 -6.4906 -6.4660 -6.4660 -6.3615 -6.3615 -6.2939 -6.2939 -4.1378 -4.1378 -3.7339 -3.7339 3.2825 3.2825 3.9821 3.9821 4.2358 4.2358 4.2883 4.2883 4.3356 4.3356 4.4106 4.4106 5.8932 5.8932 6.8757 6.8757 7.0969 7.0969 7.4323 7.4323 8.8285 8.8285 k = 0.0000 0.0484-0.0000 ( 7465 PWs) bands (ev): -35.4323 -35.4323 -35.4071 -35.4071 -22.5698 -22.5698 -22.5358 -22.5358 -16.7541 -16.7541 -16.6889 -16.6889 -16.3936 -16.3936 -16.3658 -16.3658 -16.3332 -16.3332 -16.2460 -16.2460 -7.3374 -7.3374 -7.2089 -7.2089 -6.4908 -6.4908 -6.4659 -6.4659 -6.3613 -6.3613 -6.2947 -6.2947 -4.1348 -4.1348 -3.7336 -3.7336 3.2885 3.2885 3.9795 3.9795 4.2205 4.2205 4.2849 4.2849 4.3265 4.3265 4.4062 4.4062 5.9286 5.9286 6.8909 6.8909 7.1002 7.1002 7.4283 7.4283 8.8212 8.8212 k = 0.0000 0.0645-0.0000 ( 7463 PWs) bands (ev): -35.4322 -35.4322 -35.4072 -35.4072 -22.5696 -22.5696 -22.5360 -22.5360 -16.7538 -16.7538 -16.6891 -16.6891 -16.3931 -16.3931 -16.3658 -16.3658 -16.3335 -16.3335 -16.2468 -16.2468 -7.3371 -7.3371 -7.2098 -7.2098 -6.4912 -6.4912 -6.4658 -6.4658 -6.3610 -6.3610 -6.2958 -6.2958 -4.1306 -4.1306 -3.7332 -3.7332 3.2969 3.2969 3.9752 3.9752 4.1977 4.1977 4.2792 4.2792 4.3182 4.3182 4.4008 4.4008 5.9764 5.9764 6.9118 6.9118 7.1050 7.1050 7.4228 7.4228 8.8108 8.8108 k = 0.0000 0.0806-0.0000 ( 7469 PWs) bands (ev): -35.4321 -35.4321 -35.4073 -35.4073 -22.5694 -22.5694 -22.5362 -22.5362 -16.7533 -16.7533 -16.6894 -16.6894 -16.3923 -16.3923 -16.3657 -16.3657 -16.3339 -16.3339 -16.2477 -16.2477 -7.3368 -7.3368 -7.2111 -7.2111 -6.4916 -6.4916 -6.4656 -6.4656 -6.3607 -6.3607 -6.2971 -6.2971 -4.1252 -4.1252 -3.7326 -3.7326 3.3074 3.3074 3.9684 3.9684 4.1679 4.1679 4.2712 4.2712 4.3124 4.3124 4.3950 4.3950 6.0349 6.0349 6.9380 6.9380 7.1111 7.1111 7.4160 7.4160 8.7972 8.7972 k = 0.0000 0.0968-0.0000 ( 7469 PWs) bands (ev): -35.4319 -35.4319 -35.4075 -35.4075 -22.5692 -22.5692 -22.5364 -22.5364 -16.7528 -16.7528 -16.6898 -16.6898 -16.3914 -16.3914 -16.3657 -16.3657 -16.3343 -16.3343 -16.2489 -16.2489 -7.3365 -7.3365 -7.2126 -7.2126 -6.4921 -6.4921 -6.4653 -6.4653 -6.3604 -6.3604 -6.2987 -6.2987 -4.1187 -4.1187 -3.7320 -3.7320 3.3199 3.3199 3.9582 3.9582 4.1326 4.1326 4.2620 4.2620 4.3091 4.3091 4.3891 4.3891 6.1028 6.1028 6.9691 6.9691 7.1186 7.1186 7.4081 7.4081 8.7804 8.7804 k = 0.0000 0.1129-0.0000 ( 7469 PWs) bands (ev): -35.4317 -35.4317 -35.4077 -35.4077 -22.5688 -22.5688 -22.5366 -22.5366 -16.7522 -16.7522 -16.6902 -16.6902 -16.3904 -16.3904 -16.3656 -16.3656 -16.3348 -16.3348 -16.2503 -16.2503 -7.3360 -7.3360 -7.2143 -7.2143 -6.4926 -6.4926 -6.4651 -6.4651 -6.3599 -6.3599 -6.3005 -6.3005 -4.1111 -4.1111 -3.7314 -3.7314 3.3343 3.3343 3.9438 3.9438 4.0935 4.0935 4.2528 4.2528 4.3075 4.3075 4.3837 4.3837 6.1785 6.1785 7.0044 7.0044 7.1275 7.1275 7.3994 7.3994 8.7600 8.7600 k = 0.0000 0.1290-0.0000 ( 7463 PWs) bands (ev): -35.4314 -35.4314 -35.4079 -35.4079 -22.5685 -22.5685 -22.5369 -22.5369 -16.7515 -16.7515 -16.6906 -16.6906 -16.3891 -16.3891 -16.3655 -16.3655 -16.3354 -16.3354 -16.2518 -16.2518 -7.3355 -7.3355 -7.2163 -7.2163 -6.4932 -6.4932 -6.4648 -6.4648 -6.3595 -6.3595 -6.3025 -6.3025 -4.1025 -4.1025 -3.7307 -3.7307 3.3502 3.3502 3.9243 3.9243 4.0527 4.0527 4.2448 4.2448 4.3070 4.3070 4.3789 4.3789 6.2608 6.2608 7.0432 7.0432 7.1377 7.1377 7.3901 7.3901 8.7360 8.7360 k = 0.0000 0.1452-0.0000 ( 7467 PWs) bands (ev): -35.4311 -35.4311 -35.4082 -35.4082 -22.5681 -22.5681 -22.5372 -22.5372 -16.7507 -16.7507 -16.6912 -16.6912 -16.3878 -16.3878 -16.3654 -16.3654 -16.3361 -16.3361 -16.2536 -16.2536 -7.3349 -7.3349 -7.2185 -7.2185 -6.4938 -6.4938 -6.4646 -6.4646 -6.3591 -6.3591 -6.3046 -6.3046 -4.0930 -4.0930 -3.7300 -3.7300 3.3672 3.3672 3.8996 3.8996 4.0114 4.0114 4.2387 4.2387 4.3074 4.3074 4.3747 4.3747 6.3487 6.3487 7.0849 7.0849 7.1493 7.1493 7.3808 7.3808 8.7081 8.7081 k = 0.0000 0.1613-0.0000 ( 7479 PWs) bands (ev): -35.4308 -35.4308 -35.4085 -35.4085 -22.5676 -22.5676 -22.5376 -22.5376 -16.7498 -16.7498 -16.6918 -16.6918 -16.3863 -16.3863 -16.3653 -16.3653 -16.3368 -16.3368 -16.2556 -16.2556 -7.3343 -7.3343 -7.2210 -7.2210 -6.4945 -6.4945 -6.4643 -6.4643 -6.3586 -6.3586 -6.3069 -6.3069 -4.0826 -4.0826 -3.7294 -3.7294 3.3848 3.3848 3.8704 3.8704 3.9707 3.9707 4.2347 4.2347 4.3084 4.3084 4.3714 4.3714 6.4410 6.4410 7.1280 7.1280 7.1622 7.1622 7.3722 7.3722 8.6714 8.6752 k = 0.0000 0.1774-0.0000 ( 7467 PWs) bands (ev): -35.4305 -35.4305 -35.4088 -35.4088 -22.5671 -22.5671 -22.5380 -22.5380 -16.7488 -16.7488 -16.6924 -16.6924 -16.3846 -16.3846 -16.3652 -16.3652 -16.3376 -16.3376 -16.2577 -16.2577 -7.3335 -7.3335 -7.2236 -7.2236 -6.4951 -6.4951 -6.4641 -6.4641 -6.3582 -6.3582 -6.3093 -6.3093 -4.0714 -4.0714 -3.7289 -3.7289 3.4021 3.4021 3.8380 3.8380 3.9312 3.9312 4.2327 4.2327 4.3099 4.3099 4.3691 4.3691 6.5370 6.5370 7.1709 7.1709 7.1764 7.1764 7.3659 7.3659 8.6076 8.6287 k = 0.0000 0.1935-0.0000 ( 7461 PWs) bands (ev): -35.4301 -35.4301 -35.4092 -35.4092 -22.5666 -22.5666 -22.5384 -22.5384 -16.7478 -16.7478 -16.6931 -16.6931 -16.3827 -16.3827 -16.3650 -16.3650 -16.3384 -16.3384 -16.2600 -16.2600 -7.3327 -7.3327 -7.2265 -7.2265 -6.4957 -6.4957 -6.4639 -6.4639 -6.3578 -6.3578 -6.3116 -6.3116 -4.0594 -4.0594 -3.7285 -3.7285 3.4179 3.4179 3.8040 3.8040 3.8938 3.8938 4.2321 4.2321 4.3117 4.3117 4.3680 4.3680 6.6359 6.6359 7.1920 7.1920 7.2098 7.2098 7.3649 7.3649 8.5479 8.5479 k = 0.0000 0.2097-0.0000 ( 7453 PWs) bands (ev): -35.4297 -35.4297 -35.4096 -35.4096 -22.5661 -22.5661 -22.5389 -22.5389 -16.7467 -16.7467 -16.6939 -16.6939 -16.3808 -16.3808 -16.3648 -16.3648 -16.3392 -16.3392 -16.2625 -16.2625 -7.3317 -7.3317 -7.2295 -7.2295 -6.4963 -6.4963 -6.4639 -6.4639 -6.3574 -6.3574 -6.3140 -6.3140 -4.0467 -4.0467 -3.7282 -3.7282 3.4307 3.4307 3.7700 3.7700 3.8598 3.8598 4.2325 4.2325 4.3135 4.3135 4.3684 4.3684 6.7368 6.7368 7.2090 7.2090 7.2387 7.2387 7.3750 7.3750 8.4907 8.4907 k = 0.0000 0.2258-0.0000 ( 7453 PWs) bands (ev): -35.4293 -35.4293 -35.4100 -35.4100 -22.5654 -22.5654 -22.5394 -22.5394 -16.7455 -16.7455 -16.6947 -16.6947 -16.3787 -16.3787 -16.3646 -16.3646 -16.3401 -16.3401 -16.2651 -16.2651 -7.3307 -7.3307 -7.2327 -7.2327 -6.4968 -6.4968 -6.4639 -6.4639 -6.3570 -6.3570 -6.3164 -6.3164 -4.0335 -4.0335 -3.7282 -3.7282 3.4385 3.4385 3.7361 3.7361 3.8319 3.8319 4.2334 4.2334 4.3148 4.3148 4.3705 4.3705 6.8391 6.8391 7.2273 7.2273 7.2524 7.2524 7.4008 7.4008 8.4369 8.4369 k = 0.0000 0.2419-0.0000 ( 7457 PWs) bands (ev): -35.4289 -35.4289 -35.4104 -35.4104 -22.5648 -22.5648 -22.5399 -22.5399 -16.7442 -16.7442 -16.6957 -16.6957 -16.3765 -16.3765 -16.3644 -16.3644 -16.3410 -16.3410 -16.2679 -16.2679 -7.3296 -7.3296 -7.2360 -7.2360 -6.4972 -6.4972 -6.4640 -6.4640 -6.3567 -6.3567 -6.3187 -6.3187 -4.0198 -4.0198 -3.7285 -3.7285 3.4396 3.4396 3.7016 3.7016 3.8137 3.8137 4.2344 4.2344 4.3154 4.3154 4.3745 4.3745 6.9420 6.9420 7.2466 7.2466 7.2537 7.2537 7.4391 7.4391 8.3874 8.3874 k = 0.0000 0.2581-0.0000 ( 7461 PWs) bands (ev): -35.4284 -35.4284 -35.4109 -35.4109 -22.5641 -22.5641 -22.5405 -22.5405 -16.7429 -16.7429 -16.6966 -16.6966 -16.3741 -16.3741 -16.3641 -16.3641 -16.3420 -16.3420 -16.2708 -16.2708 -7.3283 -7.3283 -7.2395 -7.2395 -6.4975 -6.4975 -6.4643 -6.4643 -6.3564 -6.3564 -6.3210 -6.3210 -4.0058 -4.0058 -3.7291 -3.7291 3.4331 3.4331 3.6656 3.6656 3.8078 3.8078 4.2353 4.2353 4.3150 4.3150 4.3802 4.3802 7.0444 7.0444 7.2480 7.2480 7.2680 7.2680 7.4831 7.4831 8.3431 8.3431 k = 0.0000 0.2742-0.0000 ( 7461 PWs) bands (ev): -35.4279 -35.4279 -35.4113 -35.4113 -22.5634 -22.5634 -22.5411 -22.5411 -16.7415 -16.7415 -16.6977 -16.6977 -16.3717 -16.3717 -16.3637 -16.3637 -16.3430 -16.3430 -16.2739 -16.2739 -7.3270 -7.3270 -7.2430 -7.2430 -6.4977 -6.4977 -6.4647 -6.4647 -6.3560 -6.3560 -6.3231 -6.3231 -3.9914 -3.9914 -3.7300 -3.7300 3.4198 3.4198 3.6280 3.6280 3.8140 3.8140 4.2360 4.2360 4.3139 4.3139 4.3870 4.3870 7.1447 7.1447 7.2408 7.2408 7.2903 7.2903 7.5285 7.5285 8.3049 8.3049 k = 0.0000 0.2903-0.0000 ( 7467 PWs) bands (ev): -35.4274 -35.4274 -35.4118 -35.4118 -22.5627 -22.5627 -22.5417 -22.5417 -16.7400 -16.7400 -16.6988 -16.6988 -16.3693 -16.3693 -16.3632 -16.3632 -16.3440 -16.3440 -16.2770 -16.2770 -7.3255 -7.3255 -7.2467 -7.2467 -6.4978 -6.4978 -6.4653 -6.4653 -6.3557 -6.3557 -6.3252 -6.3252 -3.9767 -3.9767 -3.7314 -3.7314 3.4015 3.4015 3.5897 3.5897 3.8303 3.8303 4.2366 4.2366 4.3121 4.3121 4.3942 4.3942 7.2223 7.2223 7.2524 7.2524 7.3141 7.3141 7.5726 7.5726 8.2736 8.2736 k = 0.0000 0.3065-0.0000 ( 7471 PWs) bands (ev): -35.4269 -35.4269 -35.4123 -35.4123 -22.5620 -22.5620 -22.5423 -22.5423 -16.7385 -16.7385 -16.7000 -16.7000 -16.3670 -16.3670 -16.3625 -16.3625 -16.3450 -16.3450 -16.2803 -16.2803 -7.3239 -7.3239 -7.2504 -7.2504 -6.4978 -6.4978 -6.4661 -6.4661 -6.3553 -6.3553 -6.3271 -6.3271 -3.9620 -3.9620 -3.7332 -3.7332 3.3803 3.3803 3.5515 3.5515 3.8539 3.8539 4.2370 4.2370 4.3100 4.3100 4.4013 4.4013 7.2194 7.2194 7.3333 7.3333 7.3458 7.3458 7.6137 7.6137 8.2386 8.2387 k = 0.0000 0.3226-0.0000 ( 7471 PWs) bands (ev): -35.4264 -35.4264 -35.4129 -35.4129 -22.5612 -22.5612 -22.5430 -22.5430 -16.7369 -16.7369 -16.7012 -16.7012 -16.3651 -16.3651 -16.3611 -16.3611 -16.3459 -16.3459 -16.2837 -16.2837 -7.3222 -7.3222 -7.2542 -7.2542 -6.4976 -6.4976 -6.4671 -6.4671 -6.3549 -6.3549 -6.3289 -6.3289 -3.9472 -3.9472 -3.7356 -3.7356 3.3582 3.3582 3.5141 3.5141 3.8828 3.8828 4.2373 4.2373 4.3077 4.3077 4.4076 4.4076 7.2120 7.2120 7.3639 7.3639 7.4270 7.4270 7.6506 7.6506 8.1863 8.1863 k = 0.0000 0.3387-0.0000 ( 7479 PWs) bands (ev): -35.4258 -35.4258 -35.4134 -35.4134 -22.5604 -22.5604 -22.5437 -22.5437 -16.7353 -16.7353 -16.7026 -16.7026 -16.3639 -16.3639 -16.3591 -16.3591 -16.3469 -16.3469 -16.2872 -16.2872 -7.3203 -7.3203 -7.2580 -7.2580 -6.4972 -6.4972 -6.4682 -6.4682 -6.3544 -6.3544 -6.3307 -6.3307 -3.9325 -3.9325 -3.7384 -3.7384 3.3363 3.3363 3.4780 3.4780 3.9153 3.9153 4.2374 4.2374 4.3054 4.3054 4.4125 4.4125 7.2059 7.2059 7.3916 7.3916 7.5007 7.5007 7.6826 7.6826 8.1422 8.1422 k = 0.0000 0.3548-0.0000 ( 7483 PWs) bands (ev): -35.4252 -35.4252 -35.4140 -35.4140 -22.5596 -22.5596 -22.5444 -22.5444 -16.7337 -16.7337 -16.7039 -16.7039 -16.3631 -16.3631 -16.3566 -16.3566 -16.3477 -16.3477 -16.2908 -16.2908 -7.3184 -7.3184 -7.2618 -7.2618 -6.4967 -6.4967 -6.4695 -6.4695 -6.3538 -6.3538 -6.3324 -6.3324 -3.9178 -3.9178 -3.7419 -3.7419 3.3157 3.3157 3.4436 3.4436 3.9500 3.9500 4.2375 4.2375 4.3031 4.3031 4.4156 4.4156 7.2018 7.2018 7.4204 7.4204 7.5564 7.5564 7.7096 7.7096 8.1123 8.1123 k = 0.0000 0.3710-0.0000 ( 7463 PWs) bands (ev): -35.4246 -35.4246 -35.4146 -35.4146 -22.5587 -22.5587 -22.5452 -22.5452 -16.7320 -16.7320 -16.7053 -16.7053 -16.3624 -16.3624 -16.3541 -16.3541 -16.3481 -16.3481 -16.2944 -16.2944 -7.3163 -7.3163 -7.2657 -7.2657 -6.4960 -6.4960 -6.4710 -6.4710 -6.3532 -6.3532 -6.3340 -6.3340 -3.9034 -3.9034 -3.7460 -3.7460 3.2970 3.2970 3.4113 3.4113 3.9859 3.9859 4.2374 4.2374 4.3011 4.3011 4.4164 4.4164 7.2004 7.2004 7.4504 7.4504 7.5875 7.5875 7.7320 7.7320 8.1014 8.1026 k = 0.0000 0.3871-0.0000 ( 7461 PWs) bands (ev): -35.4240 -35.4240 -35.4152 -35.4152 -22.5579 -22.5579 -22.5460 -22.5460 -16.7303 -16.7303 -16.7068 -16.7068 -16.3618 -16.3618 -16.3526 -16.3526 -16.3474 -16.3474 -16.2980 -16.2980 -7.3140 -7.3140 -7.2695 -7.2695 -6.4952 -6.4952 -6.4726 -6.4726 -6.3525 -6.3525 -6.3355 -6.3355 -3.8893 -3.8893 -3.7507 -3.7507 3.2807 3.2807 3.3813 3.3813 4.0223 4.0223 4.2372 4.2372 4.2996 4.2996 4.4147 4.4147 7.2023 7.2023 7.4816 7.4816 7.5915 7.5915 7.7508 7.7508 8.0519 8.0519 k = 0.0000 0.4032-0.0000 ( 7471 PWs) bands (ev): -35.4234 -35.4234 -35.4158 -35.4158 -22.5570 -22.5570 -22.5468 -22.5468 -16.7286 -16.7286 -16.7083 -16.7083 -16.3612 -16.3612 -16.3525 -16.3525 -16.3451 -16.3451 -16.3017 -16.3017 -7.3116 -7.3116 -7.2733 -7.2733 -6.4942 -6.4942 -6.4743 -6.4743 -6.3517 -6.3517 -6.3370 -6.3370 -3.8755 -3.8755 -3.7562 -3.7562 3.2670 3.2670 3.3538 3.3538 4.0583 4.0583 4.2367 4.2367 4.2987 4.2987 4.4101 4.4101 7.2080 7.2080 7.5140 7.5140 7.5732 7.5732 7.7672 7.7672 8.0033 8.0033 k = 0.0000 0.4194-0.0000 ( 7461 PWs) bands (ev): -35.4228 -35.4228 -35.4164 -35.4164 -22.5562 -22.5562 -22.5476 -22.5476 -16.7268 -16.7268 -16.7098 -16.7098 -16.3606 -16.3606 -16.3531 -16.3531 -16.3420 -16.3420 -16.3055 -16.3055 -7.3091 -7.3091 -7.2770 -7.2770 -6.4931 -6.4931 -6.4761 -6.4761 -6.3508 -6.3508 -6.3384 -6.3384 -3.8622 -3.8622 -3.7623 -3.7623 3.2564 3.2564 3.3291 3.3291 4.0930 4.0930 4.2360 4.2360 4.2988 4.2988 4.4027 4.4027 7.2178 7.2178 7.5377 7.5377 7.5505 7.5505 7.7826 7.7826 7.9558 7.9558 k = 0.0000 0.4355-0.0000 ( 7469 PWs) bands (ev): -35.4222 -35.4222 -35.4170 -35.4170 -22.5553 -22.5553 -22.5484 -22.5484 -16.7251 -16.7251 -16.7114 -16.7114 -16.3600 -16.3600 -16.3539 -16.3539 -16.3387 -16.3387 -16.3092 -16.3092 -7.3064 -7.3064 -7.2807 -7.2807 -6.4918 -6.4918 -6.4779 -6.4779 -6.3498 -6.3498 -6.3398 -6.3398 -3.8493 -3.8493 -3.7691 -3.7691 3.2489 3.2489 3.3073 3.3073 4.1256 4.1256 4.2347 4.2347 4.3004 4.3004 4.3925 4.3925 7.2322 7.2322 7.4996 7.4996 7.5836 7.5836 7.7983 7.7983 7.9095 7.9095 k = 0.0000 0.4516-0.0000 ( 7477 PWs) bands (ev): -35.4215 -35.4215 -35.4177 -35.4177 -22.5544 -22.5544 -22.5492 -22.5492 -16.7233 -16.7233 -16.7131 -16.7131 -16.3593 -16.3593 -16.3547 -16.3547 -16.3352 -16.3352 -16.3130 -16.3130 -7.3036 -7.3036 -7.2843 -7.2843 -6.4904 -6.4904 -6.4798 -6.4798 -6.3487 -6.3487 -6.3412 -6.3412 -3.8370 -3.8370 -3.7767 -3.7767 3.2445 3.2445 3.2886 3.2886 4.1550 4.1550 4.2325 4.2325 4.3041 4.3041 4.3797 4.3797 7.2514 7.2514 7.4570 7.4570 7.6198 7.6198 7.8150 7.8150 7.8644 7.8644 k = 0.0000 0.4677-0.0000 ( 7475 PWs) bands (ev): -35.4209 -35.4209 -35.4183 -35.4183 -22.5536 -22.5536 -22.5501 -22.5501 -16.7216 -16.7216 -16.7148 -16.7148 -16.3586 -16.3586 -16.3556 -16.3556 -16.3316 -16.3316 -16.3168 -16.3168 -7.3007 -7.3007 -7.2878 -7.2878 -6.4888 -6.4888 -6.4817 -6.4817 -6.3476 -6.3476 -6.3425 -6.3425 -3.8253 -3.8253 -3.7850 -3.7850 3.2435 3.2435 3.2730 3.2730 4.1800 4.1800 4.2288 4.2288 4.3106 4.3106 4.3650 4.3650 7.2753 7.2753 7.4146 7.4146 7.6574 7.6574 7.8199 7.8199 7.8340 7.8340 k = 0.0000 0.4839-0.0000 ( 7469 PWs) bands (ev): -35.4202 -35.4202 -35.4189 -35.4189 -22.5527 -22.5527 -22.5509 -22.5509 -16.7198 -16.7198 -16.7164 -16.7164 -16.3579 -16.3579 -16.3564 -16.3564 -16.3279 -16.3279 -16.3205 -16.3205 -7.2977 -7.2977 -7.2912 -7.2912 -6.4871 -6.4871 -6.4836 -6.4836 -6.3464 -6.3464 -6.3439 -6.3439 -3.8142 -3.8142 -3.7940 -3.7940 3.2459 3.2459 3.2606 3.2606 4.1996 4.1996 4.2229 4.2229 4.3207 4.3207 4.3492 4.3492 7.3040 7.3040 7.3743 7.3743 7.6962 7.6962 7.7777 7.7777 7.8541 7.8541 k = 0.0000 0.5000-0.0000 ( 7460 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3242 -16.3242 -16.3242 -16.3242 -7.2945 -7.2945 -7.2945 -7.2945 -6.4854 -6.4854 -6.4854 -6.4854 -6.3451 -6.3451 -6.3451 -6.3451 -3.8038 -3.8038 -3.8038 -3.8038 3.2516 3.2516 3.2516 3.2516 4.2136 4.2136 4.2136 4.2136 4.3339 4.3339 4.3339 4.3339 7.3371 7.3371 7.3371 7.3371 7.7364 7.7364 7.7364 7.7364 7.8770 7.8770 k = 0.0000 0.5000-0.0000 ( 7460 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3242 -16.3242 -16.3242 -16.3242 -7.2945 -7.2945 -7.2945 -7.2945 -6.4854 -6.4854 -6.4854 -6.4854 -6.3451 -6.3451 -6.3451 -6.3451 -3.8038 -3.8038 -3.8038 -3.8038 3.2516 3.2516 3.2516 3.2516 4.2136 4.2136 4.2136 4.2136 4.3339 4.3339 4.3339 4.3339 7.3371 7.3371 7.3371 7.3371 7.7364 7.7364 7.7364 7.7364 7.8770 7.8770 k = 0.0161 0.5000-0.0000 ( 7472 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7183 -16.7183 -16.7181 -16.7181 -16.3580 -16.3580 -16.3569 -16.3569 -16.3244 -16.3244 -16.3235 -16.3235 -7.2949 -7.2949 -7.2941 -7.2941 -6.4896 -6.4896 -6.4810 -6.4810 -6.3492 -6.3492 -6.3413 -6.3413 -3.8037 -3.8037 -3.8036 -3.8036 3.2510 3.2510 3.2518 3.2518 4.2130 4.2130 4.2140 4.2140 4.3337 4.3337 4.3340 4.3340 7.3294 7.3294 7.3298 7.3298 7.7426 7.7426 7.7431 7.7431 7.8771 7.8771 k = 0.0323 0.5000-0.0000 ( 7472 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7185 -16.7185 -16.7181 -16.7181 -16.3594 -16.3594 -16.3573 -16.3573 -16.3238 -16.3238 -16.3222 -16.3222 -7.2954 -7.2954 -7.2937 -7.2937 -6.4937 -6.4937 -6.4765 -6.4765 -6.3534 -6.3534 -6.3377 -6.3377 -3.8033 -3.8033 -3.8030 -3.8030 3.2500 3.2500 3.2515 3.2515 4.2119 4.2119 4.2142 4.2142 4.3335 4.3335 4.3340 4.3340 7.3083 7.3083 7.3089 7.3089 7.7595 7.7595 7.7610 7.7610 7.8791 7.8792 k = 0.0484 0.5000-0.0000 ( 7464 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7188 -16.7188 -16.7182 -16.7182 -16.3611 -16.3611 -16.3582 -16.3582 -16.3226 -16.3226 -16.3204 -16.3204 -7.2959 -7.2959 -7.2934 -7.2934 -6.4977 -6.4977 -6.4720 -6.4720 -6.3578 -6.3578 -6.3343 -6.3343 -3.8025 -3.8025 -3.8021 -3.8021 3.2485 3.2485 3.2508 3.2508 4.2104 4.2104 4.2141 4.2141 4.3336 4.3336 4.3339 4.3339 7.2772 7.2772 7.2780 7.2780 7.7814 7.7814 7.7847 7.7847 7.8852 7.8853 k = 0.0645 0.5000-0.0000 ( 7456 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7192 -16.7192 -16.7183 -16.7183 -16.3631 -16.3631 -16.3596 -16.3596 -16.3209 -16.3209 -16.3182 -16.3182 -7.2965 -7.2965 -7.2932 -7.2932 -6.5014 -6.5014 -6.4673 -6.4673 -6.3624 -6.3624 -6.3312 -6.3312 -3.8014 -3.8014 -3.8009 -3.8009 3.2466 3.2466 3.2496 3.2496 4.2082 4.2082 4.2137 4.2137 4.3341 4.3341 4.3342 4.3342 7.2395 7.2395 7.2405 7.2405 7.8003 7.8003 7.8066 7.8066 7.8995 7.8995 k = 0.0806 0.5000-0.0000 ( 7462 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5517 -22.5517 -22.5517 -22.5517 -16.7196 -16.7196 -16.7186 -16.7186 -16.3654 -16.3654 -16.3614 -16.3614 -16.3188 -16.3188 -16.3159 -16.3159 -7.2971 -7.2971 -7.2930 -7.2930 -6.5050 -6.5050 -6.4626 -6.4626 -6.3671 -6.3671 -6.3282 -6.3282 -3.8001 -3.8001 -3.7995 -3.7995 3.2440 3.2440 3.2479 3.2479 4.2052 4.2052 4.2129 4.2129 4.3347 4.3347 4.3357 4.3357 7.1980 7.1980 7.1990 7.1990 7.8100 7.8100 7.8191 7.8191 7.9240 7.9241 k = 0.0968 0.5000-0.0000 ( 7466 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5517 -22.5517 -22.5517 -22.5517 -16.7201 -16.7201 -16.7189 -16.7189 -16.3677 -16.3677 -16.3633 -16.3633 -16.3165 -16.3165 -16.3134 -16.3134 -7.2977 -7.2977 -7.2929 -7.2929 -6.5084 -6.5084 -6.4578 -6.4578 -6.3720 -6.3720 -6.3256 -6.3256 -3.7984 -3.7984 -3.7977 -3.7977 3.2409 3.2409 3.2455 3.2455 4.2013 4.2013 4.2115 4.2115 4.3361 4.3361 4.3383 4.3383 7.1543 7.1543 7.1553 7.1553 7.8107 7.8107 7.8215 7.8215 7.9592 7.9592 k = 0.1129 0.5000-0.0000 ( 7452 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5517 -22.5517 -22.5517 -22.5517 -16.7207 -16.7207 -16.7193 -16.7193 -16.3701 -16.3701 -16.3655 -16.3655 -16.3139 -16.3139 -16.3107 -16.3107 -7.2983 -7.2983 -7.2929 -7.2929 -6.5115 -6.5115 -6.4529 -6.4529 -6.3770 -6.3770 -6.3232 -6.3232 -3.7965 -3.7965 -3.7957 -3.7957 3.2370 3.2370 3.2424 3.2424 4.1966 4.1966 4.2095 4.2095 4.3385 4.3385 4.3422 4.3422 7.1096 7.1096 7.1106 7.1106 7.8055 7.8055 7.8171 7.8171 8.0004 8.0004 k = 0.1290 0.5000-0.0000 ( 7448 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5516 -22.5516 -22.5516 -22.5516 -16.7213 -16.7213 -16.7198 -16.7198 -16.3724 -16.3724 -16.3677 -16.3677 -16.3112 -16.3112 -16.3081 -16.3081 -7.2990 -7.2990 -7.2929 -7.2929 -6.5144 -6.5144 -6.4481 -6.4481 -6.3821 -6.3821 -6.3211 -6.3211 -3.7943 -3.7943 -3.7934 -3.7934 3.2324 3.2324 3.2386 3.2386 4.1912 4.1912 4.2070 4.2070 4.3422 4.3422 4.3476 4.3476 7.0648 7.0648 7.0658 7.0658 7.7963 7.7963 7.8083 7.8083 8.0443 8.0443 k = 0.1452 0.5000-0.0000 ( 7456 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5516 -22.5516 -22.5516 -22.5516 -16.7220 -16.7220 -16.7204 -16.7204 -16.3748 -16.3748 -16.3700 -16.3700 -16.3085 -16.3085 -16.3054 -16.3054 -7.2996 -7.2996 -7.2930 -7.2930 -6.5171 -6.5171 -6.4432 -6.4432 -6.3874 -6.3874 -6.3192 -6.3192 -3.7919 -3.7919 -3.7909 -3.7909 3.2269 3.2269 3.2338 3.2338 4.1855 4.1855 4.2040 4.2040 4.3471 4.3471 4.3542 4.3542 7.0205 7.0205 7.0213 7.0213 7.7840 7.7840 7.7963 7.7963 8.0894 8.0894 k = 0.1613 0.5000-0.0000 ( 7454 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5515 -22.5515 -22.5515 -22.5515 -16.7227 -16.7227 -16.7210 -16.7210 -16.3771 -16.3771 -16.3722 -16.3722 -16.3057 -16.3057 -16.3027 -16.3027 -7.3002 -7.3002 -7.2931 -7.2931 -6.5195 -6.5195 -6.4383 -6.4383 -6.3926 -6.3926 -6.3176 -6.3176 -3.7893 -3.7893 -3.7882 -3.7882 3.2206 3.2206 3.2282 3.2282 4.1797 4.1797 4.2009 4.2009 4.3533 4.3533 4.3621 4.3621 6.9769 6.9769 6.9776 6.9776 7.7694 7.7694 7.7816 7.7816 8.1345 8.1345 k = 0.1774 0.5000-0.0000 ( 7454 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5515 -22.5515 -22.5515 -22.5515 -16.7235 -16.7235 -16.7216 -16.7216 -16.3794 -16.3794 -16.3745 -16.3745 -16.3029 -16.3029 -16.3000 -16.3000 -7.3009 -7.3009 -7.2934 -7.2934 -6.5216 -6.5216 -6.4334 -6.4334 -6.3980 -6.3980 -6.3163 -6.3163 -3.7864 -3.7864 -3.7853 -3.7853 3.2133 3.2133 3.2216 3.2216 4.1742 4.1742 4.1978 4.1978 4.3606 4.3606 4.3710 4.3710 6.9345 6.9345 6.9351 6.9351 7.7528 7.7528 7.7649 7.7649 8.1791 8.1791 k = 0.1935 0.5000-0.0000 ( 7456 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5515 -22.5515 -22.5515 -22.5515 -16.7243 -16.7243 -16.7223 -16.7223 -16.3815 -16.3815 -16.3767 -16.3767 -16.3002 -16.3002 -16.2974 -16.2974 -7.3015 -7.3015 -7.2937 -7.2937 -6.5234 -6.5234 -6.4286 -6.4286 -6.4033 -6.4033 -6.3153 -6.3153 -3.7834 -3.7834 -3.7822 -3.7822 3.2051 3.2051 3.2140 3.2140 4.1692 4.1692 4.1950 4.1950 4.3690 4.3690 4.3808 4.3808 6.8936 6.8936 6.8940 6.8940 7.7346 7.7346 7.7464 7.7464 8.2220 8.2221 k = 0.2097 0.5000-0.0000 ( 7456 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5514 -22.5514 -22.5514 -22.5514 -16.7251 -16.7251 -16.7231 -16.7231 -16.3836 -16.3836 -16.3788 -16.3788 -16.2975 -16.2975 -16.2948 -16.2948 -7.3021 -7.3021 -7.2940 -7.2940 -6.5250 -6.5250 -6.4241 -6.4241 -6.4084 -6.4084 -6.3145 -6.3145 -3.7803 -3.7803 -3.7791 -3.7791 3.1961 3.1961 3.2054 3.2054 4.1651 4.1651 4.1927 4.1927 4.3781 4.3781 4.3912 4.3912 6.8542 6.8542 6.8544 6.8544 7.7150 7.7150 7.7265 7.7265 8.2632 8.2632 k = 0.2258 0.5000-0.0000 ( 7444 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5513 -22.5513 -22.5513 -22.5513 -16.7259 -16.7259 -16.7238 -16.7238 -16.3856 -16.3856 -16.3809 -16.3809 -16.2948 -16.2948 -16.2923 -16.2923 -7.3027 -7.3027 -7.2944 -7.2944 -6.5262 -6.5262 -6.4206 -6.4206 -6.4124 -6.4124 -6.3140 -6.3140 -3.7771 -3.7771 -3.7759 -3.7759 3.1862 3.1862 3.1959 3.1959 4.1621 4.1621 4.1911 4.1911 4.3880 4.3880 4.4022 4.4022 6.8166 6.8166 6.8166 6.8166 7.6944 7.6944 7.7055 7.7055 8.3023 8.3025 k = 0.2419 0.5000-0.0000 ( 7442 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5513 -22.5513 -22.5513 -22.5513 -16.7267 -16.7267 -16.7246 -16.7246 -16.3875 -16.3875 -16.3829 -16.3829 -16.2923 -16.2923 -16.2899 -16.2899 -7.3033 -7.3033 -7.2949 -7.2949 -6.5271 -6.5271 -6.4220 -6.4220 -6.4117 -6.4117 -6.3138 -6.3138 -3.7739 -3.7739 -3.7726 -3.7726 3.1757 3.1757 3.1855 3.1855 4.1602 4.1602 4.1904 4.1904 4.3983 4.3983 4.4134 4.4134 6.7807 6.7807 6.7809 6.7809 7.6730 7.6730 7.6837 7.6837 8.3389 8.3390 k = 0.2581 0.5000-0.0000 ( 7438 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5512 -22.5512 -22.5512 -22.5512 -16.7275 -16.7275 -16.7254 -16.7254 -16.3892 -16.3892 -16.3848 -16.3848 -16.2898 -16.2898 -16.2876 -16.2876 -7.3038 -7.3038 -7.2955 -7.2955 -6.5278 -6.5278 -6.4268 -6.4268 -6.4076 -6.4076 -6.3139 -6.3139 -3.7706 -3.7706 -3.7693 -3.7693 3.1645 3.1645 3.1745 3.1745 4.1595 4.1595 4.1904 4.1904 4.4089 4.4089 4.4248 4.4248 6.7469 6.7469 6.7472 6.7472 7.6512 7.6512 7.6614 7.6614 8.3728 8.3730 k = 0.2742 0.5000-0.0000 ( 7434 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5512 -22.5512 -22.5512 -22.5512 -16.7283 -16.7283 -16.7263 -16.7263 -16.3909 -16.3909 -16.3867 -16.3867 -16.2874 -16.2874 -16.2854 -16.2854 -7.3043 -7.3043 -7.2960 -7.2960 -6.5281 -6.5281 -6.4320 -6.4320 -6.4031 -6.4031 -6.3142 -6.3142 -3.7672 -3.7672 -3.7660 -3.7660 3.1529 3.1529 3.1628 3.1628 4.1601 4.1601 4.1914 4.1914 4.4197 4.4197 4.4361 4.4361 6.7151 6.7151 6.7156 6.7156 7.6293 7.6293 7.6390 7.6390 8.4035 8.4044 k = 0.2903 0.5000-0.0000 ( 7442 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5511 -22.5511 -22.5511 -22.5511 -16.7291 -16.7291 -16.7271 -16.7271 -16.3924 -16.3924 -16.3884 -16.3884 -16.2852 -16.2852 -16.2833 -16.2833 -7.3047 -7.3047 -7.2967 -7.2967 -6.5280 -6.5280 -6.4374 -6.4374 -6.3984 -6.3984 -6.3148 -6.3148 -3.7640 -3.7640 -3.7627 -3.7627 3.1410 3.1410 3.1508 3.1508 4.1618 4.1618 4.1931 4.1931 4.4305 4.4305 4.4472 4.4472 6.6855 6.6855 6.6862 6.6862 7.6074 7.6074 7.6166 7.6166 8.4309 8.4309 k = 0.3065 0.5000-0.0000 ( 7438 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5511 -22.5511 -22.5511 -22.5511 -16.7298 -16.7298 -16.7279 -16.7279 -16.3938 -16.3938 -16.3900 -16.3900 -16.2831 -16.2831 -16.2813 -16.2813 -7.3051 -7.3051 -7.2973 -7.2973 -6.5277 -6.5277 -6.4428 -6.4428 -6.3937 -6.3937 -6.3157 -6.3157 -3.7608 -3.7608 -3.7596 -3.7596 3.1290 3.1290 3.1385 3.1385 4.1647 4.1647 4.1956 4.1956 4.4410 4.4410 4.4579 4.4579 6.6581 6.6581 6.6590 6.6590 7.5859 7.5859 7.5945 7.5945 8.4553 8.4574 k = 0.3226 0.5000-0.0000 ( 7438 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5510 -22.5510 -22.5510 -22.5510 -16.7305 -16.7305 -16.7287 -16.7287 -16.3951 -16.3951 -16.3916 -16.3916 -16.2811 -16.2811 -16.2795 -16.2795 -7.3055 -7.3055 -7.2980 -7.2980 -6.5270 -6.5270 -6.4482 -6.4482 -6.3891 -6.3891 -6.3168 -6.3168 -3.7577 -3.7577 -3.7565 -3.7565 3.1171 3.1171 3.1262 3.1262 4.1685 4.1685 4.1987 4.1987 4.4513 4.4513 4.4681 4.4681 6.6330 6.6330 6.6340 6.6340 7.5650 7.5650 7.5731 7.5731 8.4765 8.4771 k = 0.3387 0.5000-0.0000 ( 7432 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5510 -22.5510 -22.5510 -22.5510 -16.7312 -16.7312 -16.7294 -16.7294 -16.3963 -16.3963 -16.3930 -16.3930 -16.2793 -16.2793 -16.2778 -16.2778 -7.3058 -7.3058 -7.2987 -7.2987 -6.5261 -6.5261 -6.4535 -6.4535 -6.3845 -6.3845 -6.3181 -6.3181 -3.7547 -3.7547 -3.7536 -3.7536 3.1056 3.1056 3.1142 3.1142 4.1731 4.1731 4.2021 4.2021 4.4612 4.4612 4.4776 4.4776 6.6102 6.6102 6.6113 6.6113 7.5450 7.5450 7.5525 7.5525 8.4927 8.4937 k = 0.3548 0.5000-0.0000 ( 7428 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5509 -22.5509 -22.5509 -22.5509 -16.7317 -16.7317 -16.7301 -16.7301 -16.3973 -16.3973 -16.3943 -16.3943 -16.2776 -16.2776 -16.2762 -16.2762 -7.3060 -7.3060 -7.2994 -7.2994 -6.5248 -6.5248 -6.4588 -6.4588 -6.3800 -6.3800 -6.3197 -6.3197 -3.7519 -3.7519 -3.7509 -3.7509 3.0945 3.0945 3.1025 3.1025 4.1784 4.1784 4.2058 4.2058 4.4705 4.4705 4.4864 4.4864 6.5897 6.5897 6.5909 6.5909 7.5262 7.5262 7.5330 7.5330 8.5055 8.5066 k = 0.3710 0.5000-0.0000 ( 7432 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5509 -22.5509 -22.5509 -22.5509 -16.7323 -16.7323 -16.7308 -16.7308 -16.3982 -16.3982 -16.3955 -16.3955 -16.2760 -16.2760 -16.2749 -16.2749 -7.3062 -7.3062 -7.3001 -7.3001 -6.5232 -6.5232 -6.4640 -6.4640 -6.3756 -6.3756 -6.3216 -6.3216 -3.7493 -3.7493 -3.7484 -3.7484 3.0841 3.0841 3.0914 3.0914 4.1840 4.1840 4.2096 4.2096 4.4792 4.4792 4.4942 4.4942 6.5715 6.5715 6.5727 6.5727 7.5086 7.5086 7.5147 7.5147 8.5154 8.5170 k = 0.3871 0.5000-0.0000 ( 7430 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5509 -22.5509 -22.5509 -22.5509 -16.7328 -16.7328 -16.7315 -16.7315 -16.3990 -16.3990 -16.3966 -16.3966 -16.2746 -16.2746 -16.2736 -16.2736 -7.3063 -7.3063 -7.3009 -7.3009 -6.5213 -6.5213 -6.4690 -6.4690 -6.3712 -6.3712 -6.3236 -6.3236 -3.7470 -3.7470 -3.7461 -3.7461 3.0746 3.0746 3.0811 3.0811 4.1899 4.1899 4.2132 4.2132 4.4872 4.4872 4.5011 4.5011 6.5556 6.5556 6.5568 6.5568 7.4926 7.4926 7.4981 7.4981 8.5228 8.5242 k = 0.4032 0.5000-0.0000 ( 7418 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5508 -22.5508 -22.5508 -22.5508 -16.7332 -16.7332 -16.7320 -16.7320 -16.3996 -16.3996 -16.3975 -16.3975 -16.2734 -16.2734 -16.2725 -16.2725 -7.3063 -7.3063 -7.3016 -7.3016 -6.5191 -6.5191 -6.4740 -6.4740 -6.3669 -6.3669 -6.3259 -6.3259 -3.7448 -3.7448 -3.7441 -3.7441 3.0661 3.0661 3.0718 3.0718 4.1958 4.1958 4.2165 4.2165 4.4944 4.4944 4.5070 4.5070 6.5419 6.5419 6.5431 6.5431 7.4784 7.4784 7.4831 7.4831 8.5284 8.5289 k = 0.4194 0.5000-0.0000 ( 7410 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5508 -22.5508 -22.5508 -22.5508 -16.7335 -16.7335 -16.7326 -16.7326 -16.4001 -16.4001 -16.3983 -16.3983 -16.2724 -16.2724 -16.2716 -16.2716 -7.3063 -7.3063 -7.3022 -7.3022 -6.5166 -6.5166 -6.4788 -6.4788 -6.3628 -6.3628 -6.3284 -6.3284 -3.7430 -3.7430 -3.7424 -3.7424 3.0587 3.0587 3.0635 3.0635 4.2014 4.2014 4.2193 4.2193 4.5009 4.5009 4.5118 4.5118 6.5305 6.5305 6.5315 6.5315 7.4661 7.4661 7.4701 7.4701 8.5317 8.5320 k = 0.4355 0.5000-0.0000 ( 7418 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5508 -22.5508 -22.5508 -22.5508 -16.7338 -16.7338 -16.7330 -16.7330 -16.4005 -16.4005 -16.3991 -16.3991 -16.2715 -16.2715 -16.2709 -16.2709 -7.3061 -7.3061 -7.3029 -7.3029 -6.5139 -6.5139 -6.4834 -6.4834 -6.3587 -6.3587 -6.3311 -6.3311 -3.7415 -3.7415 -3.7409 -3.7409 3.0526 3.0526 3.0565 3.0565 4.2068 4.2068 4.2214 4.2214 4.5064 4.5064 4.5155 4.5155 6.5212 6.5212 6.5221 6.5221 7.4559 7.4559 7.4591 7.4591 8.5339 8.5341 k = 0.4516 0.5000-0.0000 ( 7408 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7334 -16.7334 -16.4007 -16.4007 -16.3997 -16.3997 -16.2708 -16.2708 -16.2704 -16.2704 -7.3060 -7.3060 -7.3035 -7.3035 -6.5108 -6.5108 -6.4879 -6.4879 -6.3547 -6.3547 -6.3340 -6.3340 -3.7402 -3.7402 -3.7398 -3.7398 3.0479 3.0479 3.0508 3.0508 4.2115 4.2115 4.2227 4.2227 4.5111 4.5111 4.5181 4.5181 6.5141 6.5141 6.5148 6.5148 7.4478 7.4478 7.4503 7.4503 8.5351 8.5354 k = 0.4677 0.5000-0.0000 ( 7404 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7341 -16.7341 -16.7337 -16.7337 -16.4009 -16.4009 -16.4002 -16.4002 -16.2703 -16.2703 -16.2700 -16.2700 -7.3057 -7.3057 -7.3040 -7.3040 -6.5076 -6.5076 -6.4923 -6.4923 -6.3509 -6.3509 -6.3370 -6.3370 -3.7393 -3.7393 -3.7390 -3.7390 3.0446 3.0446 3.0466 3.0466 4.2156 4.2156 4.2232 4.2232 4.5148 4.5148 4.5195 4.5195 6.5091 6.5091 6.5096 6.5096 7.4422 7.4422 7.4438 7.4438 8.5358 8.5360 k = 0.4839 0.5000-0.0000 ( 7396 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7341 -16.7341 -16.7339 -16.7339 -16.4009 -16.4009 -16.4005 -16.4005 -16.2699 -16.2699 -16.2698 -16.2698 -7.3054 -7.3054 -7.3045 -7.3045 -6.5041 -6.5041 -6.4964 -6.4964 -6.3472 -6.3472 -6.3403 -6.3403 -3.7387 -3.7387 -3.7386 -3.7386 3.0428 3.0428 3.0438 3.0438 4.2189 4.2189 4.2227 4.2227 4.5175 4.5175 4.5199 4.5199 6.5061 6.5061 6.5064 6.5064 7.4389 7.4389 7.4397 7.4397 8.5361 8.5362 k = 0.5000 0.5000-0.0000 ( 7396 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4007 -16.4007 -16.4007 -16.4007 -16.2698 -16.2698 -16.2698 -16.2698 -7.3050 -7.3050 -7.3050 -7.3050 -6.5004 -6.5004 -6.5004 -6.5004 -6.3437 -6.3437 -6.3437 -6.3437 -3.7385 -3.7385 -3.7385 -3.7385 3.0425 3.0425 3.0425 3.0425 4.2213 4.2213 4.2213 4.2213 4.5192 4.5192 4.5192 4.5192 6.5052 6.5052 6.5052 6.5052 7.4381 7.4381 7.4381 7.4381 8.5362 8.5362 k = 0.5000 0.5000-0.0000 ( 7396 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4007 -16.4007 -16.4007 -16.4007 -16.2698 -16.2698 -16.2698 -16.2698 -7.3050 -7.3050 -7.3050 -7.3050 -6.5004 -6.5004 -6.5004 -6.5004 -6.3437 -6.3437 -6.3437 -6.3437 -3.7385 -3.7385 -3.7385 -3.7385 3.0425 3.0425 3.0425 3.0425 4.2213 4.2213 4.2213 4.2213 4.5192 4.5192 4.5192 4.5192 6.5052 6.5052 6.5052 6.5052 7.4381 7.4381 7.4381 7.4381 8.5362 8.5362 k = 0.4886 0.4886-0.0000 ( 7396 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7341 -16.7341 -16.7339 -16.7339 -16.4009 -16.4009 -16.4005 -16.4005 -16.2700 -16.2700 -16.2697 -16.2697 -7.3054 -7.3054 -7.3045 -7.3045 -6.5041 -6.5041 -6.4964 -6.4964 -6.3472 -6.3472 -6.3403 -6.3403 -3.7389 -3.7389 -3.7384 -3.7384 3.0425 3.0425 3.0440 3.0440 4.2188 4.2188 4.2228 4.2228 4.5174 4.5174 4.5200 4.5200 6.5052 6.5052 6.5073 6.5073 7.4386 7.4386 7.4400 7.4400 8.5352 8.5370 k = 0.4773 0.4773-0.0000 ( 7408 PWs) bands (ev): -35.4195 -35.4195 -35.4194 -35.4194 -22.5508 -22.5508 -22.5506 -22.5506 -16.7342 -16.7342 -16.7336 -16.7336 -16.4009 -16.4009 -16.4001 -16.4001 -16.2705 -16.2705 -16.2698 -16.2698 -7.3057 -7.3057 -7.3040 -7.3040 -6.5076 -6.5076 -6.4923 -6.4923 -6.3509 -6.3509 -6.3371 -6.3371 -3.7402 -3.7402 -3.7381 -3.7381 3.0432 3.0432 3.0479 3.0479 4.2151 4.2151 4.2237 4.2237 4.5141 4.5141 4.5202 4.5202 6.5051 6.5051 6.5134 6.5134 7.4405 7.4405 7.4454 7.4454 8.5330 8.5363 k = 0.4659 0.4659-0.0000 ( 7414 PWs) bands (ev): -35.4196 -35.4196 -35.4193 -35.4193 -22.5509 -22.5509 -22.5505 -22.5505 -16.7342 -16.7342 -16.7331 -16.7331 -16.4008 -16.4008 -16.3996 -16.3996 -16.2713 -16.2713 -16.2698 -16.2698 -7.3061 -7.3061 -7.3033 -7.3033 -6.5108 -6.5108 -6.4880 -6.4880 -6.3547 -6.3547 -6.3340 -6.3340 -3.7424 -3.7424 -3.7376 -3.7376 3.0445 3.0445 3.0543 3.0543 4.2097 4.2097 4.2245 4.2245 4.5089 4.5089 4.5202 4.5202 6.5052 6.5052 6.5236 6.5236 7.4436 7.4436 7.4544 7.4544 8.5257 8.5263 k = 0.4545 0.4545-0.0000 ( 7414 PWs) bands (ev): -35.4197 -35.4197 -35.4192 -35.4192 -22.5511 -22.5511 -22.5504 -22.5504 -16.7343 -16.7343 -16.7325 -16.7325 -16.4006 -16.4006 -16.3989 -16.3989 -16.2725 -16.2725 -16.2699 -16.2699 -7.3065 -7.3065 -7.3025 -7.3025 -6.5138 -6.5138 -6.4835 -6.4835 -6.3586 -6.3586 -6.3311 -6.3311 -3.7455 -3.7455 -3.7370 -3.7370 3.0463 3.0463 3.0632 3.0632 4.2028 4.2028 4.2251 4.2251 4.5016 4.5016 4.5200 4.5200 6.5056 6.5056 6.5375 6.5375 7.4480 7.4480 7.4669 7.4669 8.5175 8.5176 k = 0.4432 0.4432-0.0000 ( 7418 PWs) bands (ev): -35.4198 -35.4198 -35.4190 -35.4190 -22.5513 -22.5513 -22.5502 -22.5502 -16.7344 -16.7344 -16.7317 -16.7317 -16.4004 -16.4004 -16.3981 -16.3981 -16.2740 -16.2740 -16.2700 -16.2700 -7.3070 -7.3070 -7.3015 -7.3015 -6.5165 -6.5165 -6.4789 -6.4789 -6.3626 -6.3626 -6.3285 -6.3285 -3.7493 -3.7493 -3.7362 -3.7362 3.0487 3.0487 3.0747 3.0747 4.1944 4.1944 4.2258 4.2258 4.4922 4.4922 4.5197 4.5197 6.5067 6.5067 6.5551 6.5551 7.4535 7.4535 7.4827 7.4827 8.5075 8.5075 k = 0.4318 0.4318-0.0000 ( 7432 PWs) bands (ev): -35.4200 -35.4200 -35.4189 -35.4189 -22.5516 -22.5516 -22.5500 -22.5500 -16.7345 -16.7345 -16.7308 -16.7308 -16.4001 -16.4001 -16.3971 -16.3971 -16.2758 -16.2758 -16.2701 -16.2701 -7.3075 -7.3075 -7.3003 -7.3003 -6.5190 -6.5190 -6.4742 -6.4742 -6.3667 -6.3667 -6.3260 -6.3260 -3.7541 -3.7541 -3.7353 -3.7353 3.0518 3.0518 3.0887 3.0887 4.1846 4.1846 4.2265 4.2265 4.4804 4.4804 4.5192 4.5192 6.5087 6.5087 6.5760 6.5760 7.4601 7.4601 7.5019 7.5019 8.4957 8.4957 k = 0.4205 0.4205-0.0000 ( 7432 PWs) bands (ev): -35.4202 -35.4202 -35.4187 -35.4187 -22.5519 -22.5519 -22.5498 -22.5498 -16.7346 -16.7346 -16.7298 -16.7298 -16.3997 -16.3997 -16.3959 -16.3959 -16.2779 -16.2779 -16.2702 -16.2702 -7.3080 -7.3080 -7.2989 -7.2989 -6.5212 -6.5212 -6.4693 -6.4693 -6.3709 -6.3709 -6.3236 -6.3236 -3.7596 -3.7596 -3.7342 -3.7342 3.0557 3.0557 3.1050 3.1050 4.1736 4.1736 4.2274 4.2274 4.4663 4.4663 4.5187 4.5187 6.5121 6.5121 6.5999 6.5999 7.4677 7.4677 7.5242 7.5242 8.4824 8.4824 k = 0.4091 0.4091-0.0000 ( 7435 PWs) bands (ev): -35.4205 -35.4205 -35.4185 -35.4185 -22.5523 -22.5523 -22.5495 -22.5495 -16.7347 -16.7347 -16.7285 -16.7285 -16.3992 -16.3992 -16.3946 -16.3946 -16.2803 -16.2803 -16.2703 -16.2703 -7.3087 -7.3087 -7.2974 -7.2974 -6.5230 -6.5230 -6.4644 -6.4644 -6.3751 -6.3751 -6.3215 -6.3215 -3.7660 -3.7660 -3.7331 -3.7331 3.0605 3.0605 3.1238 3.1238 4.1616 4.1616 4.2283 4.2283 4.4497 4.4497 4.5180 4.5180 6.5172 6.5172 6.6265 6.6265 7.4763 7.4763 7.5495 7.5495 8.4679 8.4679 k = 0.3977 0.3977-0.0000 ( 7437 PWs) bands (ev): -35.4207 -35.4207 -35.4182 -35.4182 -22.5527 -22.5527 -22.5492 -22.5492 -16.7349 -16.7349 -16.7272 -16.7272 -16.3987 -16.3987 -16.3930 -16.3930 -16.2829 -16.2829 -16.2704 -16.2704 -7.3094 -7.3094 -7.2957 -7.2957 -6.5246 -6.5246 -6.4594 -6.4594 -6.3794 -6.3794 -6.3196 -6.3196 -3.7732 -3.7732 -3.7318 -3.7318 3.0662 3.0662 3.1449 3.1449 4.1488 4.1488 4.2293 4.2293 4.4306 4.4306 4.5172 4.5172 6.5243 6.5243 6.6555 6.6555 7.4857 7.4857 7.5777 7.5777 8.4524 8.4524 k = 0.3864 0.3864-0.0000 ( 7435 PWs) bands (ev): -35.4210 -35.4210 -35.4179 -35.4179 -22.5531 -22.5531 -22.5489 -22.5489 -16.7351 -16.7351 -16.7257 -16.7257 -16.3982 -16.3982 -16.3913 -16.3913 -16.2858 -16.2858 -16.2705 -16.2705 -7.3101 -7.3101 -7.2938 -7.2938 -6.5259 -6.5259 -6.4543 -6.4543 -6.3837 -6.3837 -6.3179 -6.3179 -3.7811 -3.7811 -3.7306 -3.7306 3.0730 3.0730 3.1682 3.1682 4.1355 4.1355 4.2304 4.2304 4.4089 4.4089 4.5162 4.5162 6.5336 6.5336 6.6865 6.6865 7.4957 7.4957 7.6088 7.6088 8.4363 8.4363 k = 0.3750 0.3750-0.0000 ( 7447 PWs) bands (ev): -35.4213 -35.4213 -35.4176 -35.4176 -22.5536 -22.5536 -22.5485 -22.5485 -16.7353 -16.7353 -16.7243 -16.7243 -16.3976 -16.3976 -16.3895 -16.3895 -16.2889 -16.2889 -16.2706 -16.2706 -7.3110 -7.3110 -7.2917 -7.2917 -6.5269 -6.5269 -6.4492 -6.4492 -6.3880 -6.3880 -6.3164 -6.3164 -3.7897 -3.7897 -3.7293 -3.7293 3.0810 3.0810 3.1938 3.1938 4.1218 4.1218 4.2317 4.2317 4.3846 4.3846 4.5151 4.5151 6.5453 6.5453 6.7191 6.7191 7.5062 7.5062 7.6425 7.6425 8.4200 8.4200 k = 0.3636 0.3636-0.0000 ( 7447 PWs) bands (ev): -35.4217 -35.4217 -35.4173 -35.4173 -22.5541 -22.5541 -22.5481 -22.5481 -16.7356 -16.7356 -16.7226 -16.7226 -16.3969 -16.3969 -16.3876 -16.3876 -16.2922 -16.2922 -16.2707 -16.2707 -7.3118 -7.3118 -7.2894 -7.2894 -6.5276 -6.5276 -6.4441 -6.4441 -6.3923 -6.3923 -6.3151 -6.3151 -3.7991 -3.7991 -3.7280 -3.7280 3.0902 3.0902 3.2214 3.2214 4.1080 4.1080 4.2330 4.2330 4.3580 4.3580 4.5138 4.5138 6.5595 6.5595 6.7530 6.7530 7.5169 7.5169 7.6787 7.6787 8.4038 8.4038 k = 0.3523 0.3523-0.0000 ( 7447 PWs) bands (ev): -35.4221 -35.4221 -35.4169 -35.4169 -22.5546 -22.5546 -22.5477 -22.5477 -16.7359 -16.7359 -16.7210 -16.7210 -16.3962 -16.3962 -16.3854 -16.3854 -16.2957 -16.2957 -16.2707 -16.2707 -7.3128 -7.3128 -7.2870 -7.2870 -6.5280 -6.5280 -6.4390 -6.4390 -6.3965 -6.3965 -6.3139 -6.3139 -3.8091 -3.8091 -3.7268 -3.7268 3.1009 3.1009 3.2511 3.2511 4.0941 4.0941 4.2344 4.2344 4.3290 4.3290 4.5123 4.5123 6.5762 6.5762 6.7879 6.7879 7.5277 7.5277 7.7173 7.7173 8.3881 8.3881 k = 0.3409 0.3409-0.0000 ( 7453 PWs) bands (ev): -35.4224 -35.4224 -35.4166 -35.4166 -22.5552 -22.5552 -22.5473 -22.5473 -16.7362 -16.7362 -16.7193 -16.7193 -16.3955 -16.3955 -16.3832 -16.3832 -16.2993 -16.2993 -16.2708 -16.2708 -7.3138 -7.3138 -7.2844 -7.2844 -6.5281 -6.5281 -6.4339 -6.4339 -6.4007 -6.4007 -6.3130 -6.3130 -3.8198 -3.8198 -3.7256 -3.7256 3.1130 3.1130 3.2827 3.2827 4.0804 4.0804 4.2359 4.2359 4.2981 4.2981 4.5107 4.5107 6.5952 6.5952 6.8233 6.8233 7.5382 7.5382 7.7581 7.7581 8.3733 8.3733 k = 0.3295 0.3295-0.0000 ( 7457 PWs) bands (ev): -35.4228 -35.4228 -35.4162 -35.4162 -22.5558 -22.5558 -22.5468 -22.5468 -16.7366 -16.7366 -16.7175 -16.7175 -16.3947 -16.3947 -16.3808 -16.3808 -16.3031 -16.3031 -16.2708 -16.2708 -7.3148 -7.3148 -7.2817 -7.2817 -6.5280 -6.5280 -6.4289 -6.4289 -6.4047 -6.4047 -6.3122 -6.3122 -3.8311 -3.8311 -3.7245 -3.7245 3.1267 3.1267 3.3161 3.3161 4.0670 4.0670 4.2373 4.2373 4.2655 4.2655 4.5088 4.5088 6.6164 6.6164 6.8590 6.8590 7.5481 7.5481 7.8007 7.8007 8.3598 8.3598 k = 0.3182 0.3182-0.0000 ( 7461 PWs) bands (ev): -35.4233 -35.4233 -35.4158 -35.4158 -22.5564 -22.5564 -22.5463 -22.5463 -16.7370 -16.7370 -16.7158 -16.7158 -16.3940 -16.3940 -16.3783 -16.3783 -16.3070 -16.3070 -16.2707 -16.2707 -7.3159 -7.3159 -7.2788 -7.2788 -6.5276 -6.5276 -6.4242 -6.4242 -6.4085 -6.4085 -6.3116 -6.3116 -3.8429 -3.8429 -3.7235 -3.7235 3.1420 3.1420 3.3512 3.3512 4.0537 4.0537 4.2302 4.2302 4.2402 4.2402 4.5067 4.5067 6.6393 6.6393 6.8947 6.8947 7.5570 7.5570 7.8448 7.8448 8.3479 8.3479 k = 0.3068 0.3068-0.0000 ( 7455 PWs) bands (ev): -35.4237 -35.4237 -35.4154 -35.4154 -22.5570 -22.5570 -22.5458 -22.5458 -16.7375 -16.7375 -16.7140 -16.7140 -16.3932 -16.3932 -16.3757 -16.3757 -16.3110 -16.3110 -16.2706 -16.2706 -7.3170 -7.3170 -7.2758 -7.2758 -6.5269 -6.5269 -6.4202 -6.4202 -6.4115 -6.4115 -6.3112 -6.3112 -3.8552 -3.8552 -3.7226 -3.7226 3.1591 3.1591 3.3879 3.3879 4.0405 4.0405 4.1960 4.1960 4.2413 4.2413 4.5044 4.5044 6.6637 6.6637 6.9301 6.9301 7.5644 7.5644 7.8895 7.8895 8.3382 8.3382 k = 0.2955 0.2955-0.0000 ( 7463 PWs) bands (ev): -35.4241 -35.4241 -35.4150 -35.4150 -22.5577 -22.5577 -22.5453 -22.5453 -16.7380 -16.7380 -16.7122 -16.7122 -16.3924 -16.3924 -16.3730 -16.3730 -16.3150 -16.3150 -16.2704 -16.2704 -7.3181 -7.3181 -7.2727 -7.2727 -6.5260 -6.5260 -6.4195 -6.4195 -6.4111 -6.4111 -6.3109 -6.3109 -3.8680 -3.8680 -3.7219 -3.7219 3.1778 3.1778 3.4261 3.4261 4.0272 4.0272 4.1611 4.1611 4.2431 4.2431 4.5017 4.5017 6.6888 6.6888 6.9650 6.9650 7.5698 7.5698 7.9332 7.9332 8.3309 8.3309 k = 0.2841 0.2841-0.0000 ( 7449 PWs) bands (ev): -35.4246 -35.4246 -35.4145 -35.4145 -22.5583 -22.5583 -22.5448 -22.5448 -16.7385 -16.7385 -16.7105 -16.7105 -16.3916 -16.3916 -16.3703 -16.3703 -16.3191 -16.3191 -16.2701 -16.2701 -7.3193 -7.3193 -7.2694 -7.2694 -6.5248 -6.5248 -6.4222 -6.4222 -6.4073 -6.4073 -6.3107 -6.3107 -3.8813 -3.8813 -3.7213 -3.7213 3.1982 3.1982 3.4656 3.4656 4.0132 4.0132 4.1271 4.1271 4.2451 4.2451 4.4988 4.4988 6.7143 6.7143 6.9990 6.9990 7.5726 7.5726 7.9721 7.9721 8.3254 8.3254 k = 0.2727 0.2727-0.0000 ( 7451 PWs) bands (ev): -35.4250 -35.4250 -35.4141 -35.4141 -22.5590 -22.5590 -22.5443 -22.5443 -16.7391 -16.7391 -16.7087 -16.7087 -16.3908 -16.3908 -16.3675 -16.3675 -16.3231 -16.3231 -16.2698 -16.2698 -7.3205 -7.3205 -7.2661 -7.2661 -6.5235 -6.5235 -6.4256 -6.4256 -6.4029 -6.4029 -6.3107 -6.3107 -3.8948 -3.8948 -3.7208 -3.7208 3.2202 3.2202 3.5062 3.5062 3.9974 3.9974 4.0956 4.0956 4.2471 4.2471 4.4956 4.4956 6.7392 6.7392 7.0321 7.0321 7.5722 7.5722 7.9957 7.9957 8.2692 8.2692 k = 0.2614 0.2614-0.0000 ( 7447 PWs) bands (ev): -35.4255 -35.4255 -35.4136 -35.4136 -22.5597 -22.5597 -22.5437 -22.5437 -16.7397 -16.7397 -16.7071 -16.7071 -16.3900 -16.3900 -16.3648 -16.3648 -16.3271 -16.3271 -16.2694 -16.2694 -7.3217 -7.3217 -7.2627 -7.2627 -6.5220 -6.5220 -6.4291 -6.4291 -6.3983 -6.3983 -6.3108 -6.3108 -3.9087 -3.9087 -3.7206 -3.7206 3.2436 3.2436 3.5477 3.5477 3.9784 3.9784 4.0686 4.0686 4.2492 4.2492 4.4920 4.4920 6.7629 6.7629 7.0640 7.0640 7.5679 7.5679 7.9808 7.9808 8.2320 8.2320 k = 0.2500 0.2500-0.0000 ( 7443 PWs) bands (ev): -35.4260 -35.4260 -35.4132 -35.4132 -22.5604 -22.5604 -22.5432 -22.5432 -16.7404 -16.7404 -16.7054 -16.7054 -16.3893 -16.3893 -16.3620 -16.3620 -16.3311 -16.3311 -16.2688 -16.2688 -7.3228 -7.3228 -7.2593 -7.2593 -6.5203 -6.5203 -6.4325 -6.4325 -6.3938 -6.3938 -6.3109 -6.3109 -3.9228 -3.9228 -3.7205 -3.7205 3.2684 3.2684 3.5899 3.5899 3.9554 3.9554 4.0477 4.0477 4.2513 4.2513 4.4881 4.4881 6.7844 6.7844 7.0946 7.0946 7.5592 7.5592 7.9185 7.9185 8.2434 8.2434 k = 0.2386 0.2386-0.0000 ( 7457 PWs) bands (ev): -35.4264 -35.4264 -35.4127 -35.4127 -22.5611 -22.5611 -22.5427 -22.5427 -16.7411 -16.7411 -16.7039 -16.7039 -16.3886 -16.3886 -16.3593 -16.3593 -16.3350 -16.3350 -16.2682 -16.2682 -7.3240 -7.3240 -7.2558 -7.2558 -6.5185 -6.5185 -6.4358 -6.4358 -6.3895 -6.3895 -6.3111 -6.3111 -3.9371 -3.9371 -3.7205 -3.7205 3.2941 3.2941 3.6324 3.6324 3.9293 3.9293 4.0328 4.0328 4.2536 4.2536 4.4838 4.4838 6.8026 6.8026 7.1239 7.1239 7.5456 7.5456 7.8318 7.8318 8.2805 8.2805 k = 0.2273 0.2273-0.0000 ( 7451 PWs) bands (ev): -35.4269 -35.4269 -35.4123 -35.4123 -22.5618 -22.5618 -22.5421 -22.5421 -16.7419 -16.7419 -16.7024 -16.7024 -16.3880 -16.3880 -16.3566 -16.3566 -16.3387 -16.3387 -16.2674 -16.2674 -7.3252 -7.3252 -7.2523 -7.2523 -6.5165 -6.5165 -6.4390 -6.4390 -6.3853 -6.3853 -6.3113 -6.3113 -3.9514 -3.9514 -3.7207 -3.7207 3.3202 3.3202 3.6747 3.6747 3.9027 3.9027 4.0224 4.0224 4.2559 4.2559 4.4791 4.4791 6.8164 6.8164 7.1517 7.1517 7.5268 7.5268 7.7377 7.7377 8.3269 8.3269 k = 0.2159 0.2159-0.0000 ( 7447 PWs) bands (ev): -35.4273 -35.4273 -35.4119 -35.4119 -22.5624 -22.5624 -22.5416 -22.5416 -16.7426 -16.7426 -16.7010 -16.7010 -16.3874 -16.3874 -16.3541 -16.3541 -16.3423 -16.3423 -16.2666 -16.2666 -7.3263 -7.3263 -7.2488 -7.2488 -6.5145 -6.5145 -6.4420 -6.4420 -6.3813 -6.3813 -6.3114 -6.3114 -3.9658 -3.9658 -3.7211 -3.7211 3.3460 3.3460 3.7155 3.7155 3.8789 3.8789 4.0152 4.0152 4.2582 4.2582 4.4740 4.4740 6.8243 6.8243 7.1782 7.1782 7.5026 7.5026 7.6429 7.6429 8.3743 8.3743 k = 0.2045 0.2045-0.0000 ( 7451 PWs) bands (ev): -35.4278 -35.4278 -35.4114 -35.4114 -22.5631 -22.5631 -22.5411 -22.5411 -16.7435 -16.7435 -16.6997 -16.6997 -16.3869 -16.3869 -16.3517 -16.3517 -16.3457 -16.3457 -16.2655 -16.2655 -7.3274 -7.3274 -7.2454 -7.2454 -6.5124 -6.5124 -6.4449 -6.4449 -6.3776 -6.3776 -6.3115 -6.3115 -3.9802 -3.9802 -3.7216 -3.7216 3.3704 3.3704 3.7518 3.7518 3.8628 3.8628 4.0103 4.0103 4.2606 4.2606 4.4686 4.4686 6.8245 6.8245 7.2032 7.2032 7.4732 7.4732 7.5515 7.5515 8.3993 8.3993 k = 0.1932 0.1932-0.0000 ( 7455 PWs) bands (ev): -35.4282 -35.4282 -35.4110 -35.4110 -22.5638 -22.5638 -22.5406 -22.5406 -16.7443 -16.7443 -16.6984 -16.6984 -16.3865 -16.3865 -16.3498 -16.3498 -16.3486 -16.3486 -16.2644 -16.2644 -7.3284 -7.3284 -7.2419 -7.2419 -6.5103 -6.5103 -6.4476 -6.4476 -6.3741 -6.3741 -6.3115 -6.3115 -3.9944 -3.9944 -3.7222 -3.7222 3.3919 3.3919 3.7765 3.7765 3.8635 3.8635 4.0075 4.0075 4.2631 4.2631 4.4628 4.4628 6.8148 6.8148 7.2268 7.2268 7.4390 7.4390 7.4664 7.4664 8.4259 8.4259 k = 0.1818 0.1818-0.0000 ( 7457 PWs) bands (ev): -35.4287 -35.4287 -35.4106 -35.4106 -22.5644 -22.5644 -22.5401 -22.5401 -16.7452 -16.7452 -16.6972 -16.6972 -16.3863 -16.3863 -16.3521 -16.3521 -16.3471 -16.3471 -16.2632 -16.2632 -7.3295 -7.3295 -7.2386 -7.2386 -6.5082 -6.5082 -6.4501 -6.4501 -6.3710 -6.3710 -6.3113 -6.3113 -4.0084 -4.0084 -3.7229 -3.7229 3.4087 3.4087 3.7858 3.7858 3.8862 3.8862 4.0065 4.0065 4.2657 4.2657 4.4567 4.4567 6.7932 6.7932 7.2490 7.2490 7.3906 7.3906 7.4007 7.4007 8.4565 8.4565 k = 0.1705 0.1705-0.0000 ( 7461 PWs) bands (ev): -35.4291 -35.4291 -35.4102 -35.4102 -22.5650 -22.5650 -22.5396 -22.5396 -16.7460 -16.7460 -16.6961 -16.6961 -16.3861 -16.3861 -16.3548 -16.3548 -16.3451 -16.3451 -16.2618 -16.2618 -7.3304 -7.3304 -7.2353 -7.2353 -6.5061 -6.5061 -6.4525 -6.4525 -6.3683 -6.3683 -6.3108 -6.3108 -4.0221 -4.0221 -3.7237 -3.7237 3.4192 3.4192 3.7913 3.7913 3.9205 3.9205 4.0079 4.0079 4.2684 4.2684 4.4503 4.4503 6.7576 6.7576 7.2699 7.2699 7.3266 7.3266 7.3590 7.3590 8.4908 8.4908 k = 0.1591 0.1591-0.0000 ( 7469 PWs) bands (ev): -35.4295 -35.4295 -35.4098 -35.4098 -22.5656 -22.5656 -22.5391 -22.5391 -16.7469 -16.7469 -16.6951 -16.6951 -16.3862 -16.3862 -16.3572 -16.3572 -16.3433 -16.3433 -16.2604 -16.2604 -7.3313 -7.3313 -7.2321 -7.2321 -6.5041 -6.5041 -6.4546 -6.4546 -6.3660 -6.3660 -6.3102 -6.3102 -4.0354 -4.0354 -3.7246 -3.7246 3.4224 3.4224 3.8020 3.8020 3.9561 3.9561 4.0132 4.0132 4.2711 4.2711 4.4437 4.4437 6.7078 6.7078 7.2740 7.2740 7.2905 7.2905 7.3150 7.3150 8.5288 8.5288 k = 0.1477 0.1477-0.0000 ( 7461 PWs) bands (ev): -35.4299 -35.4299 -35.4094 -35.4094 -22.5662 -22.5662 -22.5387 -22.5387 -16.7478 -16.7478 -16.6942 -16.6942 -16.3864 -16.3864 -16.3592 -16.3592 -16.3416 -16.3416 -16.2589 -16.2589 -7.3322 -7.3322 -7.2290 -7.2290 -6.5021 -6.5021 -6.4566 -6.4566 -6.3642 -6.3642 -6.3093 -6.3093 -4.0483 -4.0483 -3.7255 -3.7255 3.4187 3.4187 3.8203 3.8203 3.9845 3.9845 4.0281 4.0281 4.2740 4.2740 4.4369 4.4369 6.6452 6.6452 7.2350 7.2350 7.2682 7.2682 7.3093 7.3093 8.5700 8.5700 k = 0.1364 0.1364-0.0000 ( 7471 PWs) bands (ev): -35.4302 -35.4302 -35.4091 -35.4091 -22.5667 -22.5667 -22.5383 -22.5383 -16.7486 -16.7486 -16.6933 -16.6933 -16.3869 -16.3869 -16.3609 -16.3609 -16.3402 -16.3402 -16.2574 -16.2574 -7.3330 -7.3330 -7.2261 -7.2261 -6.5003 -6.5003 -6.4584 -6.4584 -6.3627 -6.3627 -6.3081 -6.3081 -4.0606 -4.0606 -3.7265 -3.7265 3.4093 3.4093 3.8449 3.8449 4.0003 4.0003 4.0573 4.0573 4.2771 4.2771 4.4301 4.4301 6.5729 6.5729 7.2049 7.2049 7.2215 7.2215 7.3266 7.3266 8.6141 8.6142 k = 0.1250 0.1250-0.0000 ( 7483 PWs) bands (ev): -35.4306 -35.4306 -35.4088 -35.4088 -22.5672 -22.5672 -22.5379 -22.5379 -16.7495 -16.7495 -16.6925 -16.6925 -16.3875 -16.3875 -16.3624 -16.3624 -16.3388 -16.3388 -16.2558 -16.2558 -7.3337 -7.3337 -7.2234 -7.2234 -6.4986 -6.4986 -6.4600 -6.4600 -6.3617 -6.3617 -6.3067 -6.3067 -4.0724 -4.0724 -3.7275 -3.7275 3.3961 3.3961 3.8733 3.8733 4.0119 4.0119 4.0923 4.0923 4.2804 4.2804 4.4235 4.4235 6.4942 6.4942 7.1747 7.1747 7.1820 7.1820 7.3430 7.3430 8.6607 8.6608 k = 0.1136 0.1136-0.0000 ( 7487 PWs) bands (ev): -35.4309 -35.4309 -35.4085 -35.4085 -22.5677 -22.5677 -22.5375 -22.5375 -16.7503 -16.7503 -16.6919 -16.6919 -16.3882 -16.3882 -16.3634 -16.3634 -16.3377 -16.3377 -16.2542 -16.2542 -7.3344 -7.3344 -7.2208 -7.2208 -6.4970 -6.4970 -6.4614 -6.4614 -6.3610 -6.3610 -6.3052 -6.3052 -4.0834 -4.0834 -3.7285 -3.7285 3.3808 3.3808 3.9018 3.9018 4.0259 4.0259 4.1276 4.1276 4.2840 4.2840 4.4172 4.4172 6.4122 6.4122 7.1287 7.1287 7.1639 7.1639 7.3582 7.3582 8.6989 8.6991 k = 0.1023 0.1023-0.0000 ( 7483 PWs) bands (ev): -35.4312 -35.4312 -35.4082 -35.4082 -22.5681 -22.5681 -22.5372 -22.5372 -16.7510 -16.7510 -16.6912 -16.6912 -16.3891 -16.3891 -16.3642 -16.3642 -16.3367 -16.3367 -16.2527 -16.2527 -7.3350 -7.3350 -7.2184 -7.2184 -6.4956 -6.4956 -6.4625 -6.4625 -6.3606 -6.3606 -6.3035 -6.3035 -4.0936 -4.0936 -3.7294 -3.7294 3.3646 3.3646 3.9266 3.9266 4.0459 4.0459 4.1610 4.1610 4.2880 4.2880 4.4114 4.4114 6.3296 6.3296 7.0844 7.0844 7.1493 7.1493 7.3723 7.3723 8.7234 8.7234 k = 0.0909 0.0909-0.0000 ( 7481 PWs) bands (ev): -35.4314 -35.4314 -35.4079 -35.4079 -22.5685 -22.5685 -22.5369 -22.5369 -16.7517 -16.7517 -16.6907 -16.6907 -16.3900 -16.3900 -16.3648 -16.3648 -16.3358 -16.3358 -16.2513 -16.2513 -7.3356 -7.3356 -7.2162 -7.2162 -6.4944 -6.4944 -6.4635 -6.4635 -6.3605 -6.3605 -6.3018 -6.3018 -4.1030 -4.1030 -3.7303 -3.7303 3.3485 3.3485 3.9453 3.9453 4.0729 4.0729 4.1917 4.1917 4.2924 4.2924 4.4066 4.4066 6.2485 6.2485 7.0425 7.0425 7.1372 7.1372 7.3851 7.3851 8.7457 8.7457 k = 0.0795 0.0795-0.0000 ( 7473 PWs) bands (ev): -35.4317 -35.4317 -35.4077 -35.4077 -22.5689 -22.5689 -22.5366 -22.5366 -16.7523 -16.7523 -16.6902 -16.6902 -16.3908 -16.3908 -16.3652 -16.3652 -16.3351 -16.3351 -16.2499 -16.2499 -7.3361 -7.3361 -7.2142 -7.2142 -6.4933 -6.4933 -6.4643 -6.4643 -6.3605 -6.3605 -6.3001 -6.3001 -4.1114 -4.1114 -3.7311 -3.7311 3.3332 3.3332 3.9580 3.9580 4.1053 4.1053 4.2187 4.2187 4.2975 4.2975 4.4031 4.4031 6.1708 6.1708 7.0036 7.0036 7.1269 7.1269 7.3966 7.3966 8.7658 8.7658 k = 0.0682 0.0682-0.0000 ( 7475 PWs) bands (ev): -35.4319 -35.4319 -35.4075 -35.4075 -22.5692 -22.5692 -22.5364 -22.5364 -16.7529 -16.7529 -16.6898 -16.6898 -16.3917 -16.3917 -16.3654 -16.3654 -16.3345 -16.3345 -16.2487 -16.2487 -7.3365 -7.3365 -7.2125 -7.2125 -6.4925 -6.4925 -6.4649 -6.4649 -6.3606 -6.3606 -6.2985 -6.2985 -4.1189 -4.1189 -3.7319 -3.7319 3.3193 3.3193 3.9667 3.9667 4.1394 4.1394 4.2415 4.2415 4.3033 4.3033 4.4013 4.4013 6.0981 6.0981 6.9684 6.9684 7.1182 7.1182 7.4067 7.4067 8.7836 8.7836 k = 0.0568 0.0568-0.0000 ( 7471 PWs) bands (ev): -35.4321 -35.4321 -35.4073 -35.4073 -22.5694 -22.5694 -22.5361 -22.5361 -16.7534 -16.7534 -16.6894 -16.6894 -16.3924 -16.3924 -16.3656 -16.3656 -16.3339 -16.3339 -16.2476 -16.2476 -7.3369 -7.3369 -7.2110 -7.2110 -6.4918 -6.4918 -6.4653 -6.4653 -6.3609 -6.3609 -6.2970 -6.2970 -4.1253 -4.1253 -3.7326 -3.7326 3.3070 3.3070 3.9727 3.9727 4.1719 4.1719 4.2598 4.2598 4.3100 4.3100 4.4015 4.4015 6.0323 6.0323 6.9375 6.9375 7.1109 7.1109 7.4154 7.4154 8.7988 8.7988 k = 0.0455 0.0455-0.0000 ( 7469 PWs) bands (ev): -35.4322 -35.4322 -35.4072 -35.4072 -22.5696 -22.5696 -22.5360 -22.5360 -16.7538 -16.7538 -16.6892 -16.6892 -16.3931 -16.3931 -16.3657 -16.3657 -16.3335 -16.3335 -16.2467 -16.2467 -7.3372 -7.3372 -7.2098 -7.2098 -6.4913 -6.4913 -6.4657 -6.4657 -6.3611 -6.3611 -6.2957 -6.2957 -4.1306 -4.1306 -3.7331 -3.7331 3.2966 3.2966 3.9770 3.9770 4.1999 4.1999 4.2736 4.2736 4.3177 4.3177 4.4037 4.4037 5.9750 5.9750 6.9115 6.9115 7.1049 7.1049 7.4226 7.4226 8.8115 8.8115 k = 0.0341 0.0341-0.0000 ( 7471 PWs) bands (ev): -35.4323 -35.4323 -35.4071 -35.4071 -22.5698 -22.5698 -22.5358 -22.5358 -16.7541 -16.7541 -16.6889 -16.6889 -16.3937 -16.3937 -16.3658 -16.3658 -16.3332 -16.3332 -16.2460 -16.2460 -7.3374 -7.3374 -7.2088 -7.2088 -6.4909 -6.4909 -6.4659 -6.4659 -6.3613 -6.3613 -6.2947 -6.2947 -4.1348 -4.1348 -3.7336 -3.7336 3.2884 3.2884 3.9801 3.9801 4.2214 4.2214 4.2827 4.2827 4.3265 4.3265 4.4072 4.4072 5.9280 5.9280 6.8907 6.8907 7.1002 7.1002 7.4282 7.4282 8.8214 8.8214 k = 0.0227 0.0227-0.0000 ( 7457 PWs) bands (ev): -35.4324 -35.4324 -35.4070 -35.4070 -22.5699 -22.5699 -22.5357 -22.5357 -16.7544 -16.7544 -16.6887 -16.6887 -16.3941 -16.3941 -16.3658 -16.3658 -16.3330 -16.3330 -16.2454 -16.2454 -7.3375 -7.3375 -7.2082 -7.2082 -6.4906 -6.4906 -6.4660 -6.4660 -6.3615 -6.3615 -6.2939 -6.2939 -4.1378 -4.1378 -3.7339 -3.7339 3.2825 3.2825 3.9822 3.9822 4.2360 4.2360 4.2879 4.2879 4.3357 4.3357 4.4108 4.4108 5.8929 5.8929 6.8756 6.8756 7.0968 7.0968 7.4323 7.4323 8.8286 8.8286 k = 0.0114 0.0114-0.0000 ( 7457 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5700 -22.5700 -22.5357 -22.5357 -16.7545 -16.7545 -16.6886 -16.6886 -16.3943 -16.3943 -16.3659 -16.3659 -16.3328 -16.3328 -16.2451 -16.2451 -7.3376 -7.3376 -7.2077 -7.2077 -6.4905 -6.4905 -6.4661 -6.4661 -6.3616 -6.3616 -6.2935 -6.2935 -4.1397 -4.1397 -3.7341 -3.7341 3.2789 3.2789 3.9834 3.9834 4.2443 4.2443 4.2901 4.2901 4.3427 4.3427 4.4135 4.4135 5.8712 5.8712 6.8664 6.8664 7.0948 7.0948 7.4347 7.4347 8.8329 8.8329 k = 0.0000 0.0000 0.0000 ( 7453 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5700 -22.5700 -22.5357 -22.5357 -16.7546 -16.7546 -16.6886 -16.6886 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3377 -7.3377 -7.2076 -7.2076 -6.4904 -6.4904 -6.4661 -6.4661 -6.3617 -6.3617 -6.2933 -6.2933 -4.1403 -4.1403 -3.7342 -3.7342 3.2777 3.2777 3.9838 3.9838 4.2470 4.2470 4.2907 4.2907 4.3453 4.3453 4.4144 4.4144 5.8639 5.8639 6.8633 6.8633 7.0941 7.0941 7.4356 7.4356 8.8343 8.8343 k = 0.0000 0.0000 0.0000 ( 7453 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5700 -22.5700 -22.5357 -22.5357 -16.7546 -16.7546 -16.6886 -16.6886 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3377 -7.3377 -7.2076 -7.2076 -6.4904 -6.4904 -6.4661 -6.4661 -6.3617 -6.3617 -6.2933 -6.2933 -4.1403 -4.1403 -3.7342 -3.7342 3.2777 3.2777 3.9838 3.9838 4.2470 4.2470 4.2907 4.2907 4.3453 4.3453 4.4144 4.4144 5.8639 5.8639 6.8633 6.8633 7.0941 7.0941 7.4356 7.4356 8.8343 8.8343 k = 0.0000 0.0000 0.0162 ( 7461 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5700 -22.5700 -22.5357 -22.5357 -16.7546 -16.7546 -16.6886 -16.6886 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3377 -7.3377 -7.2076 -7.2076 -6.4904 -6.4904 -6.4661 -6.4661 -6.3618 -6.3618 -6.2933 -6.2933 -4.1396 -4.1396 -3.7344 -3.7344 3.2769 3.2769 3.9802 3.9802 4.2465 4.2465 4.2906 4.2906 4.3453 4.3453 4.4145 4.4145 5.8692 5.8692 6.8650 6.8650 7.0942 7.0942 7.4407 7.4407 8.8270 8.8270 k = 0.0000 0.0000 0.0324 ( 7469 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5700 -22.5700 -22.5357 -22.5357 -16.7546 -16.7546 -16.6886 -16.6886 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3377 -7.3377 -7.2078 -7.2078 -6.4904 -6.4904 -6.4661 -6.4661 -6.3622 -6.3622 -6.2933 -6.2933 -4.1376 -4.1376 -3.7351 -3.7351 3.2745 3.2745 3.9692 3.9692 4.2449 4.2449 4.2906 4.2906 4.3454 4.3454 4.4146 4.4146 5.8848 5.8848 6.8702 6.8702 7.0946 7.0946 7.4562 7.4562 8.8046 8.8046 k = 0.0000 0.0000 0.0486 ( 7461 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5700 -22.5700 -22.5357 -22.5357 -16.7545 -16.7545 -16.6886 -16.6886 -16.3944 -16.3944 -16.3658 -16.3658 -16.3328 -16.3328 -16.2450 -16.2450 -7.3376 -7.3376 -7.2080 -7.2080 -6.4905 -6.4905 -6.4660 -6.4660 -6.3629 -6.3629 -6.2933 -6.2933 -4.1344 -4.1344 -3.7362 -3.7362 3.2707 3.2707 3.9513 3.9513 4.2426 4.2426 4.2905 4.2905 4.3454 4.3454 4.4148 4.4148 5.9103 5.9103 6.8789 6.8789 7.0952 7.0952 7.4816 7.4816 8.7662 8.7662 k = 0.0000 0.0000 0.0648 ( 7469 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5701 -22.5701 -22.5357 -22.5357 -16.7545 -16.7545 -16.6887 -16.6887 -16.3944 -16.3944 -16.3658 -16.3658 -16.3329 -16.3329 -16.2450 -16.2450 -7.3376 -7.3376 -7.2083 -7.2083 -6.4905 -6.4905 -6.4660 -6.4660 -6.3638 -6.3638 -6.2932 -6.2932 -4.1299 -4.1299 -3.7378 -3.7378 3.2656 3.2656 3.9268 3.9268 4.2401 4.2401 4.2904 4.2904 4.3454 4.3454 4.4150 4.4150 5.9450 5.9450 6.8910 6.8910 7.0961 7.0961 7.5165 7.5165 8.7118 8.7118 k = 0.0000 0.0000 0.0810 ( 7497 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5701 -22.5701 -22.5357 -22.5357 -16.7546 -16.7546 -16.6887 -16.6887 -16.3944 -16.3944 -16.3659 -16.3659 -16.3329 -16.3329 -16.2451 -16.2451 -7.3376 -7.3376 -7.2087 -7.2087 -6.4905 -6.4905 -6.4659 -6.4659 -6.3649 -6.3649 -6.2932 -6.2932 -4.1242 -4.1242 -3.7398 -3.7398 3.2596 3.2596 3.8964 3.8964 4.2376 4.2376 4.2902 4.2902 4.3455 4.3455 4.4153 4.4153 5.9880 5.9880 6.9066 6.9066 7.0971 7.0971 7.5602 7.5602 8.6430 8.6430 k = 0.0000 0.0000 0.0972 ( 7481 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5701 -22.5701 -22.5356 -22.5356 -16.7546 -16.7546 -16.6887 -16.6887 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3376 -7.3376 -7.2091 -7.2091 -6.4906 -6.4906 -6.4658 -6.4658 -6.3662 -6.3662 -6.2932 -6.2932 -4.1174 -4.1174 -3.7423 -3.7423 3.2530 3.2530 3.8610 3.8610 4.2355 4.2355 4.2899 4.2899 4.3455 4.3455 4.4157 4.4157 6.0384 6.0384 6.9256 6.9256 7.0984 7.0984 7.6118 7.6118 8.5627 8.5627 k = 0.0000 0.0000 0.1134 ( 7473 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5701 -22.5701 -22.5356 -22.5356 -16.7546 -16.7546 -16.6886 -16.6886 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3375 -7.3375 -7.2096 -7.2096 -6.4906 -6.4906 -6.4656 -6.4656 -6.3677 -6.3677 -6.2931 -6.2931 -4.1097 -4.1097 -3.7453 -3.7453 3.2461 3.2461 3.8217 3.8217 4.2337 4.2337 4.2896 4.2896 4.3456 4.3456 4.4161 4.4161 6.0952 6.0952 6.9480 6.9480 7.0997 7.0997 7.6702 7.6702 8.4740 8.4740 k = 0.0000 0.0000 0.1297 ( 7480 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5701 -22.5701 -22.5356 -22.5356 -16.7546 -16.7546 -16.6886 -16.6886 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3375 -7.3375 -7.2102 -7.2102 -6.4907 -6.4907 -6.4655 -6.4655 -6.3693 -6.3693 -6.2931 -6.2931 -4.1012 -4.1012 -3.7487 -3.7487 3.2393 3.2393 3.7795 3.7795 4.2324 4.2324 4.2893 4.2893 4.3456 4.3456 4.4166 4.4166 6.1576 6.1576 6.9737 6.9737 7.1012 7.1012 7.7343 7.7343 8.3800 8.3800 k = 0.0000 0.0000 0.1459 ( 7480 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5701 -22.5701 -22.5356 -22.5356 -16.7546 -16.7546 -16.6887 -16.6887 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3374 -7.3374 -7.2107 -7.2107 -6.4907 -6.4907 -6.4653 -6.4653 -6.3709 -6.3709 -6.2930 -6.2930 -4.0920 -4.0920 -3.7525 -3.7525 3.2330 3.2330 3.7354 3.7354 4.2315 4.2315 4.2889 4.2889 4.3457 4.3457 4.4171 4.4171 6.2249 6.2249 7.0029 7.0029 7.1028 7.1028 7.8022 7.8022 8.2831 8.2831 k = 0.0000 0.0000 0.1621 ( 7480 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5701 -22.5701 -22.5356 -22.5356 -16.7546 -16.7546 -16.6887 -16.6887 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3374 -7.3374 -7.2113 -7.2113 -6.4908 -6.4908 -6.4652 -6.4652 -6.3727 -6.3727 -6.2930 -6.2930 -4.0823 -4.0823 -3.7566 -3.7566 3.2277 3.2277 3.6904 3.6904 4.2309 4.2309 4.2885 4.2885 4.3457 4.3457 4.4175 4.4175 6.2964 6.2964 7.0353 7.0353 7.1045 7.1045 7.8711 7.8711 8.1865 8.1865 k = 0.0000 0.0000 0.1783 ( 7476 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5701 -22.5701 -22.5356 -22.5356 -16.7546 -16.7546 -16.6886 -16.6886 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3373 -7.3373 -7.2119 -7.2119 -6.4909 -6.4909 -6.4650 -6.4650 -6.3744 -6.3744 -6.2929 -6.2929 -4.0723 -4.0723 -3.7611 -3.7611 3.2236 3.2236 3.6453 3.6453 4.2306 4.2306 4.2881 4.2881 4.3458 4.3458 4.4180 4.4180 6.3716 6.3716 7.0709 7.0709 7.1061 7.1061 7.9316 7.9316 8.0991 8.0991 k = 0.0000 0.0000 0.1945 ( 7492 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5701 -22.5701 -22.5356 -22.5356 -16.7546 -16.7546 -16.6886 -16.6886 -16.3945 -16.3945 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3373 -7.3373 -7.2125 -7.2125 -6.4909 -6.4909 -6.4648 -6.4648 -6.3762 -6.3762 -6.2929 -6.2929 -4.0622 -4.0622 -3.7658 -3.7658 3.2212 3.2212 3.6010 3.6010 4.2305 4.2305 4.2876 4.2876 4.3459 4.3459 4.4185 4.4185 6.4499 6.4499 7.1076 7.1076 7.1099 7.1099 7.9310 7.9310 8.0726 8.0726 k = 0.0000 0.0000 0.2107 ( 7488 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5701 -22.5701 -22.5356 -22.5356 -16.7546 -16.7546 -16.6886 -16.6886 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3372 -7.3372 -7.2130 -7.2130 -6.4910 -6.4910 -6.4645 -6.4645 -6.3778 -6.3778 -6.2928 -6.2928 -4.0522 -4.0522 -3.7706 -3.7706 3.2207 3.2207 3.5579 3.5579 4.2305 4.2305 4.2872 4.2872 4.3459 4.3459 4.4189 4.4189 6.5311 6.5311 7.1093 7.1093 7.1516 7.1516 7.8505 7.8505 8.1195 8.1195 k = 0.0000 0.0000 0.2269 ( 7468 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5701 -22.5701 -22.5356 -22.5356 -16.7546 -16.7546 -16.6886 -16.6886 -16.3944 -16.3944 -16.3658 -16.3658 -16.3328 -16.3328 -16.2450 -16.2450 -7.3372 -7.3372 -7.2136 -7.2136 -6.4910 -6.4910 -6.4643 -6.4643 -6.3793 -6.3793 -6.2928 -6.2928 -4.0426 -4.0426 -3.7755 -3.7755 3.2224 3.2224 3.5169 3.5169 4.2306 4.2306 4.2868 4.2868 4.3460 4.3460 4.4194 4.4194 6.6147 6.6147 7.1107 7.1107 7.1964 7.1964 7.7540 7.7540 8.0355 8.0355 k = 0.0000 0.0000 0.2431 ( 7496 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5702 -22.5702 -22.5356 -22.5356 -16.7546 -16.7546 -16.6887 -16.6887 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3371 -7.3371 -7.2140 -7.2140 -6.4911 -6.4911 -6.4641 -6.4641 -6.3807 -6.3807 -6.2927 -6.2927 -4.0337 -4.0337 -3.7802 -3.7802 3.2263 3.2263 3.4784 3.4784 4.2308 4.2308 4.2865 4.2865 4.3460 4.3460 4.4197 4.4197 6.7004 6.7004 7.1120 7.1120 7.2436 7.2436 7.6549 7.6549 7.9549 7.9549 k = 0.0000 0.0000 0.2593 ( 7488 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5702 -22.5702 -22.5356 -22.5356 -16.7546 -16.7546 -16.6887 -16.6887 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3371 -7.3371 -7.2144 -7.2144 -6.4911 -6.4911 -6.4640 -6.4640 -6.3819 -6.3819 -6.2927 -6.2927 -4.0258 -4.0258 -3.7845 -3.7845 3.2326 3.2326 3.4432 3.4432 4.2310 4.2310 4.2862 4.2862 4.3461 4.3461 4.4200 4.4200 6.7879 6.7879 7.1131 7.1131 7.2929 7.2929 7.5558 7.5558 7.8782 7.8782 k = 0.0000 0.0000 0.2755 ( 7492 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5702 -22.5702 -22.5356 -22.5356 -16.7546 -16.7546 -16.6887 -16.6887 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3371 -7.3371 -7.2147 -7.2147 -6.4911 -6.4911 -6.4638 -6.4638 -6.3828 -6.3828 -6.2927 -6.2927 -4.0192 -4.0192 -3.7882 -3.7882 3.2408 3.2408 3.4119 3.4119 4.2312 4.2312 4.2859 4.2859 4.3461 4.3461 4.4203 4.4203 6.8769 6.8769 7.1139 7.1139 7.3430 7.3430 7.4575 7.4575 7.8066 7.8066 k = 0.0000 0.0000 0.2917 ( 7484 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5702 -22.5702 -22.5355 -22.5355 -16.7546 -16.7546 -16.6886 -16.6886 -16.3945 -16.3945 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3370 -7.3370 -7.2149 -7.2149 -6.4912 -6.4912 -6.4637 -6.4637 -6.3835 -6.3835 -6.2926 -6.2926 -4.0142 -4.0142 -3.7910 -3.7910 3.2500 3.2500 3.3859 3.3859 4.2314 4.2314 4.2857 4.2857 4.3462 4.3462 4.4205 4.4205 6.9665 6.9665 7.1146 7.1146 7.3612 7.3612 7.3915 7.3915 7.7427 7.7427 k = 0.0000 0.0000 0.3079 ( 7472 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5702 -22.5702 -22.5355 -22.5355 -16.7546 -16.7546 -16.6886 -16.6886 -16.3945 -16.3945 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3370 -7.3370 -7.2151 -7.2151 -6.4912 -6.4912 -6.4636 -6.4636 -6.3839 -6.3839 -6.2926 -6.2926 -4.0111 -4.0111 -3.7929 -3.7929 3.2583 3.2583 3.3675 3.3675 4.2315 4.2315 4.2856 4.2856 4.3462 4.3462 4.4206 4.4206 7.0540 7.0540 7.1150 7.1150 7.2697 7.2697 7.4318 7.4318 7.6932 7.6932 k = 0.0000 0.0000 0.3241 ( 7480 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5702 -22.5702 -22.5355 -22.5355 -16.7546 -16.7546 -16.6886 -16.6886 -16.3945 -16.3945 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3370 -7.3370 -7.2151 -7.2151 -6.4912 -6.4912 -6.4636 -6.4636 -6.3841 -6.3841 -6.2926 -6.2926 -4.0100 -4.0100 -3.7935 -3.7935 3.2618 3.2618 3.3606 3.3606 4.2315 4.2315 4.2856 4.2856 4.3462 4.3462 4.4206 4.4206 7.1110 7.1110 7.1151 7.1151 7.2114 7.2114 7.4492 7.4492 7.6727 7.6727 k = 0.0000 0.0000 0.3241 ( 7480 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5702 -22.5702 -22.5355 -22.5355 -16.7546 -16.7546 -16.6886 -16.6886 -16.3945 -16.3945 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3370 -7.3370 -7.2151 -7.2151 -6.4912 -6.4912 -6.4636 -6.4636 -6.3841 -6.3841 -6.2926 -6.2926 -4.0100 -4.0100 -3.7935 -3.7935 3.2618 3.2618 3.3606 3.3606 4.2315 4.2315 4.2856 4.2856 4.3462 4.3462 4.4206 4.4206 7.1110 7.1110 7.1151 7.1151 7.2114 7.2114 7.4492 7.4492 7.6727 7.6727 k = 0.0000 0.0161 0.3241 ( 7466 PWs) bands (ev): -35.4325 -35.4325 -35.4070 -35.4070 -22.5701 -22.5701 -22.5356 -22.5356 -16.7545 -16.7545 -16.6886 -16.6886 -16.3944 -16.3944 -16.3659 -16.3659 -16.3328 -16.3328 -16.2451 -16.2451 -7.3370 -7.3370 -7.2153 -7.2153 -6.4913 -6.4913 -6.4636 -6.4636 -6.3840 -6.3840 -6.2928 -6.2928 -4.0096 -4.0096 -3.7933 -3.7933 3.2618 3.2618 3.3607 3.3607 4.2307 4.2307 4.2846 4.2846 4.3454 4.3454 4.4196 4.4196 7.1146 7.1146 7.1157 7.1157 7.2127 7.2127 7.4505 7.4505 7.6752 7.6752 k = 0.0000 0.0323 0.3241 ( 7464 PWs) bands (ev): -35.4324 -35.4324 -35.4070 -35.4070 -22.5701 -22.5701 -22.5356 -22.5356 -16.7544 -16.7544 -16.6887 -16.6887 -16.3941 -16.3941 -16.3658 -16.3658 -16.3329 -16.3329 -16.2454 -16.2454 -7.3369 -7.3369 -7.2156 -7.2156 -6.4915 -6.4915 -6.4636 -6.4636 -6.3836 -6.3836 -6.2932 -6.2932 -4.0083 -4.0083 -3.7927 -3.7927 3.2620 3.2620 3.3612 3.3612 4.2282 4.2282 4.2817 4.2817 4.3431 4.3431 4.4167 4.4167 7.1174 7.1174 7.1253 7.1253 7.2166 7.2166 7.4542 7.4542 7.6827 7.6827 k = 0.0000 0.0484 0.3241 ( 7456 PWs) bands (ev): -35.4323 -35.4323 -35.4071 -35.4071 -22.5699 -22.5699 -22.5357 -22.5357 -16.7541 -16.7541 -16.6889 -16.6889 -16.3936 -16.3936 -16.3658 -16.3658 -16.3332 -16.3332 -16.2460 -16.2460 -7.3368 -7.3368 -7.2163 -7.2163 -6.4920 -6.4920 -6.4636 -6.4636 -6.3830 -6.3830 -6.2938 -6.2938 -4.0062 -4.0062 -3.7917 -3.7917 3.2621 3.2621 3.3619 3.3619 4.2240 4.2240 4.2768 4.2768 4.3396 4.3396 4.4121 4.4121 7.1202 7.1202 7.1428 7.1428 7.2231 7.2231 7.4603 7.4603 7.6951 7.6951 k = 0.0000 0.0645 0.3241 ( 7476 PWs) bands (ev): -35.4322 -35.4322 -35.4072 -35.4072 -22.5698 -22.5698 -22.5359 -22.5359 -16.7538 -16.7538 -16.6891 -16.6891 -16.3931 -16.3931 -16.3658 -16.3658 -16.3335 -16.3335 -16.2468 -16.2468 -7.3366 -7.3366 -7.2171 -7.2171 -6.4926 -6.4926 -6.4636 -6.4636 -6.3821 -6.3821 -6.2947 -6.2947 -4.0033 -4.0033 -3.7903 -3.7903 3.2622 3.2622 3.3626 3.3626 4.2182 4.2182 4.2699 4.2699 4.3352 4.3352 4.4063 4.4063 7.1242 7.1242 7.1669 7.1669 7.2318 7.2318 7.4686 7.4686 7.7119 7.7119 k = 0.0000 0.0806 0.3241 ( 7468 PWs) bands (ev): -35.4321 -35.4321 -35.4073 -35.4073 -22.5696 -22.5696 -22.5360 -22.5360 -16.7533 -16.7533 -16.6894 -16.6894 -16.3923 -16.3923 -16.3657 -16.3657 -16.3338 -16.3338 -16.2477 -16.2477 -7.3364 -7.3364 -7.2183 -7.2183 -6.4934 -6.4934 -6.4637 -6.4637 -6.3811 -6.3811 -6.2959 -6.2959 -3.9996 -3.9996 -3.7887 -3.7887 3.2621 3.2621 3.3630 3.3630 4.2108 4.2108 4.2610 4.2610 4.3305 4.3305 4.3998 4.3998 7.1294 7.1294 7.1969 7.1969 7.2425 7.2425 7.4790 7.4790 7.7330 7.7330 k = 0.0000 0.0968 0.3241 ( 7476 PWs) bands (ev): -35.4319 -35.4319 -35.4075 -35.4075 -22.5693 -22.5693 -22.5362 -22.5362 -16.7528 -16.7528 -16.6897 -16.6897 -16.3915 -16.3915 -16.3657 -16.3657 -16.3343 -16.3343 -16.2489 -16.2489 -7.3361 -7.3361 -7.2196 -7.2196 -6.4943 -6.4943 -6.4637 -6.4637 -6.3799 -6.3799 -6.2972 -6.2972 -3.9951 -3.9951 -3.7866 -3.7866 3.2616 3.2616 3.3630 3.3630 4.2022 4.2022 4.2504 4.2504 4.3256 4.3256 4.3930 4.3930 7.1359 7.1359 7.2322 7.2322 7.2550 7.2550 7.4911 7.4911 7.7578 7.7578 k = 0.0000 0.1129 0.3241 ( 7476 PWs) bands (ev): -35.4317 -35.4317 -35.4077 -35.4077 -22.5690 -22.5690 -22.5365 -22.5365 -16.7522 -16.7522 -16.6901 -16.6901 -16.3904 -16.3904 -16.3656 -16.3656 -16.3348 -16.3348 -16.2503 -16.2503 -7.3358 -7.3358 -7.2212 -7.2212 -6.4953 -6.4953 -6.4637 -6.4637 -6.3785 -6.3785 -6.2988 -6.2988 -3.9898 -3.9898 -3.7843 -3.7843 3.2605 3.2605 3.3620 3.3620 4.1927 4.1927 4.2384 4.2384 4.3209 4.3209 4.3863 4.3863 7.1436 7.1436 7.2664 7.2664 7.2748 7.2748 7.5046 7.5046 7.7858 7.7858 k = 0.0000 0.1290 0.3241 ( 7472 PWs) bands (ev): -35.4314 -35.4314 -35.4079 -35.4079 -22.5686 -22.5686 -22.5368 -22.5368 -16.7515 -16.7515 -16.6906 -16.6906 -16.3891 -16.3891 -16.3655 -16.3655 -16.3354 -16.3354 -16.2519 -16.2519 -7.3354 -7.3354 -7.2230 -7.2230 -6.4963 -6.4963 -6.4638 -6.4638 -6.3771 -6.3771 -6.3005 -6.3005 -3.9839 -3.9839 -3.7818 -3.7818 3.2587 3.2587 3.3598 3.3598 4.1831 4.1831 4.2254 4.2254 4.3166 4.3166 4.3800 4.3800 7.1526 7.1526 7.2823 7.2823 7.3179 7.3179 7.5192 7.5192 7.8164 7.8164 k = 0.0000 0.1452 0.3241 ( 7478 PWs) bands (ev): -35.4312 -35.4312 -35.4082 -35.4082 -22.5682 -22.5682 -22.5371 -22.5371 -16.7507 -16.7507 -16.6912 -16.6912 -16.3878 -16.3878 -16.3654 -16.3654 -16.3361 -16.3361 -16.2537 -16.2537 -7.3349 -7.3349 -7.2251 -7.2251 -6.4974 -6.4974 -6.4639 -6.4639 -6.3755 -6.3755 -6.3024 -6.3024 -3.9772 -3.9772 -3.7791 -3.7791 3.2558 3.2558 3.3560 3.3560 4.1738 4.1738 4.2122 4.2122 4.3127 4.3127 4.3741 4.3741 7.1631 7.1631 7.2974 7.2974 7.3657 7.3657 7.5343 7.5343 7.8488 7.8488 k = 0.0000 0.1613 0.3241 ( 7478 PWs) bands (ev): -35.4309 -35.4309 -35.4085 -35.4085 -22.5677 -22.5677 -22.5375 -22.5375 -16.7498 -16.7498 -16.6918 -16.6918 -16.3862 -16.3862 -16.3653 -16.3653 -16.3368 -16.3368 -16.2556 -16.2556 -7.3343 -7.3343 -7.2273 -7.2273 -6.4984 -6.4984 -6.4640 -6.4640 -6.3739 -6.3739 -6.3044 -6.3044 -3.9699 -3.9699 -3.7762 -3.7762 3.2516 3.2516 3.3502 3.3502 4.1658 4.1658 4.1994 4.1994 4.3093 4.3093 4.3686 4.3686 7.1750 7.1750 7.3126 7.3126 7.4163 7.4163 7.5496 7.5496 7.8825 7.8825 k = 0.0000 0.1774 0.3241 ( 7482 PWs) bands (ev): -35.4305 -35.4305 -35.4088 -35.4088 -22.5673 -22.5673 -22.5379 -22.5379 -16.7488 -16.7488 -16.6924 -16.6924 -16.3846 -16.3846 -16.3652 -16.3652 -16.3376 -16.3376 -16.2577 -16.2577 -7.3337 -7.3337 -7.2297 -7.2297 -6.4995 -6.4995 -6.4642 -6.4642 -6.3722 -6.3722 -6.3065 -6.3065 -3.9620 -3.9620 -3.7732 -3.7732 3.2461 3.2461 3.3420 3.3420 4.1596 4.1596 4.1877 4.1877 4.3063 4.3063 4.3636 4.3636 7.1883 7.1883 7.3273 7.3273 7.4691 7.4691 7.5644 7.5644 7.9165 7.9165 k = 0.0000 0.1935 0.3241 ( 7482 PWs) bands (ev): -35.4302 -35.4302 -35.4092 -35.4092 -22.5667 -22.5667 -22.5383 -22.5383 -16.7478 -16.7478 -16.6932 -16.6932 -16.3827 -16.3827 -16.3650 -16.3650 -16.3384 -16.3384 -16.2601 -16.2601 -7.3330 -7.3330 -7.2324 -7.2324 -6.5005 -6.5005 -6.4645 -6.4645 -6.3706 -6.3706 -6.3087 -6.3087 -3.9536 -3.9536 -3.7702 -3.7702 3.2389 3.2389 3.3314 3.3314 4.1556 4.1556 4.1777 4.1777 4.3039 4.3039 4.3591 4.3591 7.2033 7.2033 7.3412 7.3412 7.5234 7.5234 7.5783 7.5783 7.9501 7.9501 k = 0.0000 0.2097 0.3241 ( 7482 PWs) bands (ev): -35.4298 -35.4298 -35.4096 -35.4096 -22.5662 -22.5662 -22.5388 -22.5388 -16.7467 -16.7467 -16.6939 -16.6939 -16.3808 -16.3808 -16.3648 -16.3648 -16.3392 -16.3392 -16.2625 -16.2625 -7.3322 -7.3322 -7.2351 -7.2351 -6.5014 -6.5014 -6.4649 -6.4649 -6.3689 -6.3689 -6.3109 -6.3109 -3.9447 -3.9447 -3.7671 -3.7671 3.2301 3.2301 3.3183 3.3183 4.1541 4.1541 4.1700 4.1700 4.3020 4.3020 4.3549 4.3549 7.2198 7.2198 7.3538 7.3538 7.5779 7.5779 7.5917 7.5917 7.9823 7.9823 k = 0.0000 0.2258 0.3241 ( 7480 PWs) bands (ev): -35.4294 -35.4294 -35.4100 -35.4100 -22.5655 -22.5655 -22.5393 -22.5393 -16.7455 -16.7455 -16.6948 -16.6948 -16.3787 -16.3787 -16.3646 -16.3646 -16.3402 -16.3402 -16.2652 -16.2652 -7.3313 -7.3313 -7.2381 -7.2381 -6.5022 -6.5022 -6.4654 -6.4654 -6.3673 -6.3673 -6.3131 -6.3131 -3.9354 -3.9354 -3.7642 -3.7642 3.2196 3.2196 3.3027 3.3027 4.1544 4.1544 4.1657 4.1657 4.3006 4.3006 4.3511 4.3511 7.2380 7.2380 7.3647 7.3647 7.6003 7.6003 7.6357 7.6357 8.0117 8.0117 k = 0.0000 0.2419 0.3241 ( 7470 PWs) bands (ev): -35.4289 -35.4289 -35.4104 -35.4104 -22.5649 -22.5649 -22.5398 -22.5398 -16.7442 -16.7442 -16.6957 -16.6957 -16.3765 -16.3765 -16.3643 -16.3643 -16.3411 -16.3411 -16.2680 -16.2680 -7.3303 -7.3303 -7.2412 -7.2412 -6.5029 -6.5029 -6.4660 -6.4660 -6.3656 -6.3656 -6.3153 -6.3153 -3.9257 -3.9257 -3.7614 -3.7614 3.2075 3.2075 3.2850 3.2850 4.1552 4.1552 4.1661 4.1661 4.2999 4.2999 4.3477 4.3477 7.2579 7.2579 7.3736 7.3736 7.6087 7.6087 7.6915 7.6915 8.0365 8.0365 k = 0.0000 0.2581 0.3241 ( 7458 PWs) bands (ev): -35.4284 -35.4284 -35.4108 -35.4108 -22.5642 -22.5642 -22.5404 -22.5404 -16.7428 -16.7428 -16.6967 -16.6967 -16.3741 -16.3741 -16.3640 -16.3640 -16.3420 -16.3420 -16.2709 -16.2709 -7.3292 -7.3292 -7.2444 -7.2444 -6.5035 -6.5035 -6.4667 -6.4667 -6.3641 -6.3641 -6.3175 -6.3175 -3.9158 -3.9158 -3.7588 -3.7588 3.1939 3.1939 3.2653 3.2653 4.1562 4.1562 4.1712 4.1712 4.3000 4.3000 4.3448 4.3448 7.2796 7.2796 7.3802 7.3802 7.6142 7.6142 7.7473 7.7473 8.0540 8.0540 k = 0.0000 0.2742 0.3241 ( 7466 PWs) bands (ev): -35.4280 -35.4280 -35.4113 -35.4113 -22.5635 -22.5635 -22.5410 -22.5410 -16.7414 -16.7414 -16.6977 -16.6977 -16.3717 -16.3717 -16.3636 -16.3636 -16.3430 -16.3430 -16.2739 -16.2739 -7.3280 -7.3280 -7.2477 -7.2477 -6.5039 -6.5039 -6.4676 -6.4676 -6.3625 -6.3625 -6.3197 -6.3197 -3.9056 -3.9056 -3.7564 -3.7564 3.1791 3.1791 3.2443 3.2443 4.1586 4.1586 4.1792 4.1792 4.3009 4.3009 4.3424 4.3424 7.3030 7.3030 7.3845 7.3845 7.6169 7.6169 7.8023 7.8023 8.0624 8.0624 k = 0.0000 0.2903 0.3241 ( 7478 PWs) bands (ev): -35.4275 -35.4275 -35.4118 -35.4118 -22.5628 -22.5628 -22.5416 -22.5416 -16.7400 -16.7400 -16.6989 -16.6989 -16.3693 -16.3693 -16.3632 -16.3632 -16.3440 -16.3440 -16.2771 -16.2771 -7.3266 -7.3266 -7.2511 -7.2511 -6.5041 -6.5041 -6.4686 -6.4686 -6.3610 -6.3610 -6.3217 -6.3217 -3.8952 -3.8952 -3.7544 -3.7544 3.1634 3.1634 3.2223 3.2223 4.1628 4.1628 4.1887 4.1887 4.3027 4.3027 4.3409 4.3409 7.3282 7.3282 7.3864 7.3864 7.6166 7.6166 7.8562 7.8562 8.0630 8.0630 k = 0.0000 0.3065 0.3241 ( 7468 PWs) bands (ev): -35.4269 -35.4269 -35.4123 -35.4123 -22.5620 -22.5620 -22.5423 -22.5423 -16.7385 -16.7385 -16.7000 -16.7000 -16.3670 -16.3670 -16.3624 -16.3624 -16.3450 -16.3450 -16.2803 -16.2803 -7.3251 -7.3251 -7.2546 -7.2546 -6.5042 -6.5042 -6.4697 -6.4697 -6.3595 -6.3595 -6.3237 -6.3237 -3.8848 -3.8848 -3.7528 -3.7528 3.1471 3.1471 3.1998 3.1998 4.1687 4.1687 4.1988 4.1988 4.3055 4.3055 4.3404 4.3404 7.3551 7.3551 7.3865 7.3865 7.6133 7.6133 7.9086 7.9086 8.0591 8.0591 k = 0.0000 0.3226 0.3241 ( 7456 PWs) bands (ev): -35.4264 -35.4264 -35.4129 -35.4129 -22.5613 -22.5613 -22.5429 -22.5429 -16.7369 -16.7369 -16.7012 -16.7012 -16.3651 -16.3651 -16.3611 -16.3611 -16.3459 -16.3459 -16.2837 -16.2837 -7.3235 -7.3235 -7.2582 -7.2582 -6.5040 -6.5040 -6.4710 -6.4710 -6.3581 -6.3581 -6.3257 -6.3257 -3.8743 -3.8743 -3.7516 -3.7516 3.1306 3.1306 3.1774 3.1774 4.1757 4.1757 4.2087 4.2087 4.3094 4.3094 4.3413 4.3413 7.3792 7.3792 7.3895 7.3895 7.6070 7.6070 7.9590 7.9590 8.0536 8.0536 k = 0.0000 0.3387 0.3241 ( 7448 PWs) bands (ev): -35.4258 -35.4258 -35.4134 -35.4134 -22.5605 -22.5605 -22.5436 -22.5436 -16.7353 -16.7353 -16.7025 -16.7025 -16.3638 -16.3638 -16.3590 -16.3590 -16.3469 -16.3469 -16.2872 -16.2872 -7.3218 -7.3218 -7.2618 -7.2618 -6.5037 -6.5037 -6.4725 -6.4725 -6.3567 -6.3567 -6.3275 -6.3275 -3.8639 -3.8639 -3.7508 -3.7508 3.1143 3.1143 3.1553 3.1553 4.1834 4.1834 4.2177 4.2177 4.3141 4.3141 4.3440 4.3440 7.3798 7.3798 7.4168 7.4168 7.5979 7.5979 8.0066 8.0066 8.0482 8.0482 k = 0.0000 0.3548 0.3241 ( 7456 PWs) bands (ev): -35.4252 -35.4252 -35.4140 -35.4140 -22.5596 -22.5596 -22.5444 -22.5444 -16.7336 -16.7336 -16.7039 -16.7039 -16.3631 -16.3631 -16.3565 -16.3565 -16.3476 -16.3476 -16.2908 -16.2908 -7.3199 -7.3199 -7.2654 -7.2654 -6.5032 -6.5032 -6.4741 -6.4741 -6.3553 -6.3553 -6.3293 -6.3293 -3.8536 -3.8536 -3.7506 -3.7506 3.0984 3.0984 3.1342 3.1342 4.1912 4.1912 4.2253 4.2253 4.3195 4.3195 4.3486 4.3486 7.3764 7.3764 7.4494 7.4494 7.5862 7.5862 8.0420 8.0420 8.0528 8.0528 k = 0.0000 0.3710 0.3241 ( 7454 PWs) bands (ev): -35.4246 -35.4246 -35.4146 -35.4146 -22.5588 -22.5588 -22.5451 -22.5451 -16.7320 -16.7320 -16.7053 -16.7053 -16.3624 -16.3624 -16.3541 -16.3541 -16.3481 -16.3481 -16.2943 -16.2943 -7.3179 -7.3179 -7.2691 -7.2691 -6.5026 -6.5026 -6.4758 -6.4758 -6.3539 -6.3539 -6.3310 -6.3310 -3.8436 -3.8436 -3.7510 -3.7510 3.0834 3.0834 3.1142 3.1142 4.1988 4.1988 4.2313 4.2313 4.3257 4.3257 4.3549 4.3549 7.3730 7.3730 7.4840 7.4840 7.5719 7.5719 8.0399 8.0399 8.0919 8.0919 k = 0.0000 0.3871 0.3241 ( 7448 PWs) bands (ev): -35.4240 -35.4240 -35.4152 -35.4152 -22.5579 -22.5579 -22.5459 -22.5459 -16.7303 -16.7303 -16.7067 -16.7067 -16.3618 -16.3618 -16.3525 -16.3525 -16.3474 -16.3474 -16.2980 -16.2980 -7.3158 -7.3158 -7.2727 -7.2727 -6.5017 -6.5017 -6.4776 -6.4776 -6.3526 -6.3526 -6.3326 -6.3326 -3.8338 -3.8338 -3.7519 -3.7519 3.0696 3.0696 3.0957 3.0957 4.2056 4.2056 4.2357 4.2357 4.3328 4.3328 4.3623 4.3623 7.3705 7.3705 7.5204 7.5204 7.5558 7.5558 8.0387 8.0387 8.1263 8.1263 k = 0.0000 0.4032 0.3241 ( 7426 PWs) bands (ev): -35.4234 -35.4234 -35.4158 -35.4158 -22.5571 -22.5571 -22.5467 -22.5467 -16.7286 -16.7286 -16.7082 -16.7082 -16.3612 -16.3612 -16.3524 -16.3524 -16.3451 -16.3451 -16.3016 -16.3016 -7.3135 -7.3135 -7.2763 -7.2763 -6.5007 -6.5007 -6.4795 -6.4795 -6.3512 -6.3512 -6.3342 -6.3342 -3.8243 -3.8243 -3.7536 -3.7536 3.0573 3.0573 3.0790 3.0790 4.2116 4.2116 4.2385 4.2385 4.3407 4.3407 4.3698 4.3698 7.3695 7.3695 7.5359 7.5359 7.5606 7.5606 8.0395 8.0395 8.1525 8.1525 k = 0.0000 0.4194 0.3241 ( 7430 PWs) bands (ev): -35.4228 -35.4228 -35.4164 -35.4164 -22.5562 -22.5562 -22.5475 -22.5475 -16.7268 -16.7268 -16.7098 -16.7098 -16.3606 -16.3606 -16.3530 -16.3530 -16.3420 -16.3420 -16.3054 -16.3054 -7.3110 -7.3110 -7.2799 -7.2799 -6.4995 -6.4995 -6.4814 -6.4814 -6.3498 -6.3498 -6.3358 -6.3358 -3.8152 -3.8152 -3.7558 -3.7558 3.0466 3.0466 3.0643 3.0643 4.2168 4.2168 4.2399 4.2399 4.3493 4.3493 4.3767 4.3767 7.3707 7.3707 7.5169 7.5169 7.6005 7.6005 8.0425 8.0425 8.0976 8.0977 k = 0.0000 0.4355 0.3241 ( 7418 PWs) bands (ev): -35.4221 -35.4221 -35.4170 -35.4170 -22.5553 -22.5553 -22.5484 -22.5484 -16.7250 -16.7250 -16.7113 -16.7113 -16.3599 -16.3599 -16.3538 -16.3538 -16.3387 -16.3387 -16.3092 -16.3092 -7.3084 -7.3084 -7.2834 -7.2834 -6.4981 -6.4981 -6.4834 -6.4834 -6.3485 -6.3485 -6.3372 -6.3372 -3.8066 -3.8066 -3.7588 -3.7588 3.0379 3.0379 3.0517 3.0517 4.2213 4.2213 4.2401 4.2401 4.3581 4.3581 4.3823 4.3823 7.3744 7.3744 7.4964 7.4964 7.6428 7.6428 8.0400 8.0400 8.0498 8.0498 k = 0.0000 0.4516 0.3241 ( 7420 PWs) bands (ev): -35.4215 -35.4215 -35.4176 -35.4176 -22.5544 -22.5544 -22.5492 -22.5492 -16.7233 -16.7233 -16.7130 -16.7130 -16.3593 -16.3593 -16.3546 -16.3546 -16.3352 -16.3352 -16.3129 -16.3129 -7.3057 -7.3057 -7.2869 -7.2869 -6.4966 -6.4966 -6.4854 -6.4854 -6.3471 -6.3471 -6.3387 -6.3387 -3.7985 -3.7985 -3.7625 -3.7625 3.0313 3.0313 3.0415 3.0415 4.2252 4.2252 4.2395 4.2395 4.3665 4.3665 4.3861 4.3861 7.3811 7.3811 7.4756 7.4756 7.6869 7.6869 7.9863 7.9863 8.0569 8.0569 k = 0.0000 0.4677 0.3241 ( 7432 PWs) bands (ev): -35.4209 -35.4209 -35.4183 -35.4183 -22.5536 -22.5536 -22.5501 -22.5501 -16.7216 -16.7216 -16.7147 -16.7147 -16.3586 -16.3586 -16.3555 -16.3555 -16.3316 -16.3316 -16.3167 -16.3167 -7.3029 -7.3029 -7.2903 -7.2903 -6.4949 -6.4949 -6.4874 -6.4874 -6.3458 -6.3458 -6.3402 -6.3402 -3.7909 -3.7909 -3.7668 -3.7668 3.0269 3.0269 3.0336 3.0336 4.2286 4.2286 4.2382 4.2382 4.3742 4.3742 4.3879 4.3879 7.3907 7.3907 7.4553 7.4553 7.7328 7.7328 7.9327 7.9327 8.0680 8.0680 k = 0.0000 0.4839 0.3241 ( 7432 PWs) bands (ev): -35.4202 -35.4202 -35.4189 -35.4189 -22.5527 -22.5527 -22.5509 -22.5509 -16.7198 -16.7198 -16.7163 -16.7163 -16.3578 -16.3578 -16.3563 -16.3563 -16.3280 -16.3280 -16.3205 -16.3205 -7.2999 -7.2999 -7.2936 -7.2936 -6.4932 -6.4932 -6.4894 -6.4894 -6.3444 -6.3444 -6.3416 -6.3416 -3.7839 -3.7839 -3.7718 -3.7718 3.0249 3.0249 3.0282 3.0282 4.2316 4.2316 4.2364 4.2364 4.3804 4.3804 4.3875 4.3875 7.4033 7.4033 7.4360 7.4360 7.7804 7.7804 7.8804 7.8804 8.0820 8.0820 k = 0.0000 0.5000 0.3241 ( 7432 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3242 -16.3242 -16.3242 -16.3242 -7.2968 -7.2968 -7.2968 -7.2968 -6.4913 -6.4913 -6.4913 -6.4913 -6.3430 -6.3430 -6.3430 -6.3430 -3.7775 -3.7775 -3.7775 -3.7775 3.0253 3.0253 3.0253 3.0253 4.2342 4.2342 4.2342 4.2342 4.3850 4.3850 4.3850 4.3850 7.4185 7.4185 7.4185 7.4185 7.8296 7.8296 7.8296 7.8296 8.0988 8.0988 k = 0.0000 0.5000 0.3241 ( 7432 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3242 -16.3242 -16.3242 -16.3242 -7.2968 -7.2968 -7.2968 -7.2968 -6.4913 -6.4913 -6.4913 -6.4913 -6.3430 -6.3430 -6.3430 -6.3430 -3.7775 -3.7775 -3.7775 -3.7775 3.0253 3.0253 3.0253 3.0253 4.2342 4.2342 4.2342 4.2342 4.3850 4.3850 4.3850 4.3850 7.4185 7.4185 7.4185 7.4185 7.8296 7.8296 7.8296 7.8296 8.0988 8.0988 k = 0.0161 0.5000 0.3241 ( 7420 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7182 -16.7182 -16.7180 -16.7180 -16.3579 -16.3579 -16.3568 -16.3568 -16.3243 -16.3243 -16.3234 -16.3234 -7.2972 -7.2972 -7.2964 -7.2964 -6.4954 -6.4954 -6.4871 -6.4871 -6.3469 -6.3469 -6.3392 -6.3392 -3.7775 -3.7775 -3.7773 -3.7773 3.0243 3.0243 3.0267 3.0267 4.2246 4.2246 4.2417 4.2417 4.3779 4.3779 4.3922 4.3922 7.4194 7.4194 7.4200 7.4200 7.8206 7.8206 7.8245 7.8245 8.1044 8.1046 k = 0.0323 0.5000 0.3241 ( 7424 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7184 -16.7184 -16.7180 -16.7180 -16.3593 -16.3593 -16.3572 -16.3572 -16.3238 -16.3238 -16.3221 -16.3221 -7.2977 -7.2977 -7.2961 -7.2961 -6.4994 -6.4994 -6.4827 -6.4827 -6.3511 -6.3511 -6.3357 -6.3357 -3.7772 -3.7772 -3.7767 -3.7767 3.0236 3.0236 3.0283 3.0283 4.2133 4.2133 4.2469 4.2469 4.3714 4.3714 4.3992 4.3992 7.4227 7.4227 7.4238 7.4238 7.8000 7.8000 7.8070 7.8070 8.1225 8.1228 k = 0.0484 0.5000 0.3241 ( 7436 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7188 -16.7188 -16.7181 -16.7181 -16.3611 -16.3611 -16.3582 -16.3582 -16.3226 -16.3226 -16.3203 -16.3203 -7.2981 -7.2981 -7.2958 -7.2958 -6.5032 -6.5032 -6.4783 -6.4783 -6.3555 -6.3555 -6.3325 -6.3325 -3.7766 -3.7766 -3.7759 -3.7759 3.0232 3.0232 3.0303 3.0303 4.2006 4.2006 4.2492 4.2492 4.3659 4.3659 4.4058 4.4058 7.4280 7.4280 7.4294 7.4294 7.7724 7.7724 7.7820 7.7820 8.1487 8.1502 k = 0.0645 0.5000 0.3241 ( 7440 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7191 -16.7191 -16.7183 -16.7183 -16.3631 -16.3631 -16.3596 -16.3596 -16.3209 -16.3209 -16.3182 -16.3182 -7.2986 -7.2986 -7.2955 -7.2955 -6.5067 -6.5067 -6.4737 -6.4737 -6.3600 -6.3600 -6.3294 -6.3294 -3.7757 -3.7757 -3.7748 -3.7748 3.0231 3.0231 3.0325 3.0325 4.1868 4.1868 4.2483 4.2483 4.3620 4.3620 4.4119 4.4119 7.4347 7.4347 7.4360 7.4360 7.7419 7.7419 7.7540 7.7540 8.1787 8.1789 k = 0.0806 0.5000 0.3241 ( 7440 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5517 -22.5517 -22.5517 -22.5517 -16.7196 -16.7196 -16.7186 -16.7186 -16.3653 -16.3653 -16.3613 -16.3613 -16.3188 -16.3188 -16.3159 -16.3159 -7.2991 -7.2991 -7.2953 -7.2953 -6.5101 -6.5101 -6.4690 -6.4690 -6.3648 -6.3648 -6.3267 -6.3267 -3.7746 -3.7746 -3.7734 -3.7734 3.0232 3.0232 3.0349 3.0349 4.1720 4.1720 4.2440 4.2440 4.3599 4.3599 4.4176 4.4176 7.4417 7.4417 7.4423 7.4423 7.7119 7.7119 7.7266 7.7266 8.2093 8.2093 k = 0.0968 0.5000 0.3241 ( 7456 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5517 -22.5517 -22.5517 -22.5517 -16.7201 -16.7201 -16.7189 -16.7189 -16.3677 -16.3677 -16.3633 -16.3633 -16.3164 -16.3164 -16.3134 -16.3134 -7.2996 -7.2996 -7.2951 -7.2951 -6.5133 -6.5133 -6.4643 -6.4643 -6.3697 -6.3697 -6.3242 -6.3242 -3.7731 -3.7731 -3.7718 -3.7718 3.0235 3.0235 3.0374 3.0374 4.1566 4.1566 4.2368 4.2368 4.3595 4.3595 4.4226 4.4226 7.4465 7.4465 7.4472 7.4472 7.6850 7.6850 7.7028 7.7028 8.2389 8.2390 k = 0.1129 0.5000 0.3241 ( 7456 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5517 -22.5517 -22.5517 -22.5517 -16.7207 -16.7207 -16.7193 -16.7193 -16.3701 -16.3701 -16.3655 -16.3655 -16.3139 -16.3139 -16.3108 -16.3108 -7.3002 -7.3002 -7.2950 -7.2950 -6.5163 -6.5163 -6.4595 -6.4595 -6.3747 -6.3747 -6.3220 -6.3220 -3.7715 -3.7715 -3.7700 -3.7700 3.0238 3.0238 3.0399 3.0399 4.1408 4.1408 4.2272 4.2272 4.3604 4.3604 4.4271 4.4271 7.4464 7.4464 7.4490 7.4490 7.6643 7.6643 7.6855 7.6855 8.2660 8.2660 k = 0.1290 0.5000 0.3241 ( 7460 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5516 -22.5516 -22.5516 -22.5516 -16.7214 -16.7214 -16.7198 -16.7198 -16.3724 -16.3724 -16.3677 -16.3677 -16.3112 -16.3112 -16.3081 -16.3081 -7.3007 -7.3007 -7.2949 -7.2949 -6.5190 -6.5190 -6.4546 -6.4546 -6.3799 -6.3799 -6.3200 -6.3200 -3.7696 -3.7696 -3.7679 -3.7679 3.0242 3.0242 3.0424 3.0424 4.1248 4.1248 4.2159 4.2159 4.3621 4.3621 4.4311 4.4311 7.4401 7.4401 7.4445 7.4445 7.6524 7.6524 7.6770 7.6770 8.2894 8.2894 k = 0.1452 0.5000 0.3241 ( 7440 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5516 -22.5516 -22.5516 -22.5516 -16.7220 -16.7220 -16.7203 -16.7203 -16.3748 -16.3748 -16.3699 -16.3699 -16.3084 -16.3084 -16.3054 -16.3054 -7.3012 -7.3012 -7.2949 -7.2949 -6.5214 -6.5214 -6.4497 -6.4497 -6.3851 -6.3851 -6.3183 -6.3183 -3.7675 -3.7675 -3.7657 -3.7657 3.0245 3.0245 3.0447 3.0447 4.1090 4.1090 4.2036 4.2036 4.3642 4.3642 4.4344 4.4344 7.4271 7.4271 7.4326 7.4326 7.6506 7.6506 7.6777 7.6777 8.3083 8.3083 k = 0.1613 0.5000 0.3241 ( 7448 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5515 -22.5515 -22.5515 -22.5515 -16.7227 -16.7227 -16.7210 -16.7210 -16.3771 -16.3771 -16.3722 -16.3722 -16.3057 -16.3057 -16.3027 -16.3027 -7.3017 -7.3017 -7.2950 -7.2950 -6.5236 -6.5236 -6.4448 -6.4448 -6.3905 -6.3905 -6.3169 -6.3169 -3.7652 -3.7652 -3.7633 -3.7633 3.0246 3.0246 3.0467 3.0467 4.0937 4.0937 4.1910 4.1910 4.3664 4.3664 4.4371 4.4371 7.4085 7.4085 7.4144 7.4144 7.6576 7.6576 7.6863 7.6863 8.3222 8.3222 k = 0.1774 0.5000 0.3241 ( 7444 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5515 -22.5515 -22.5515 -22.5515 -16.7235 -16.7235 -16.7216 -16.7216 -16.3793 -16.3793 -16.3745 -16.3745 -16.3029 -16.3029 -16.3000 -16.3000 -7.3023 -7.3023 -7.2951 -7.2951 -6.5256 -6.5256 -6.4398 -6.4398 -6.3959 -6.3959 -6.3158 -6.3158 -3.7628 -3.7628 -3.7607 -3.7607 3.0246 3.0246 3.0483 3.0483 4.0792 4.0792 4.1786 4.1786 4.3683 4.3683 4.4391 4.4391 7.3864 7.3864 7.3922 7.3922 7.6709 7.6709 7.7005 7.7005 8.3309 8.3309 k = 0.1935 0.5000 0.3241 ( 7432 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5514 -22.5514 -22.5514 -22.5514 -16.7243 -16.7243 -16.7223 -16.7223 -16.3815 -16.3815 -16.3767 -16.3767 -16.3002 -16.3002 -16.2974 -16.2974 -7.3028 -7.3028 -7.2953 -7.2953 -6.5272 -6.5272 -6.4349 -6.4349 -6.4014 -6.4014 -6.3150 -6.3150 -3.7602 -3.7602 -3.7580 -3.7580 3.0242 3.0242 3.0494 3.0494 4.0658 4.0658 4.1667 4.1667 4.3697 4.3697 4.4404 4.4404 7.3626 7.3626 7.3681 7.3681 7.6881 7.6881 7.7182 7.7182 8.3346 8.3346 k = 0.2097 0.5000 0.3241 ( 7428 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5514 -22.5514 -22.5514 -22.5514 -16.7251 -16.7251 -16.7230 -16.7230 -16.3836 -16.3836 -16.3788 -16.3788 -16.2974 -16.2974 -16.2948 -16.2948 -7.3032 -7.3032 -7.2955 -7.2955 -6.5285 -6.5285 -6.4300 -6.4300 -6.4069 -6.4069 -6.3144 -6.3144 -3.7575 -3.7575 -3.7553 -3.7553 3.0235 3.0235 3.0499 3.0499 4.0538 4.0538 4.1559 4.1559 4.3704 4.3704 4.4409 4.4409 7.3384 7.3384 7.3436 7.3436 7.7072 7.7072 7.7375 7.7375 8.3344 8.3344 k = 0.2258 0.5000 0.3241 ( 7424 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5513 -22.5513 -22.5513 -22.5513 -16.7259 -16.7259 -16.7238 -16.7238 -16.3856 -16.3856 -16.3809 -16.3809 -16.2948 -16.2948 -16.2923 -16.2923 -7.3037 -7.3037 -7.2958 -7.2958 -6.5295 -6.5295 -6.4252 -6.4252 -6.4123 -6.4123 -6.3142 -6.3142 -3.7547 -3.7547 -3.7524 -3.7524 3.0223 3.0223 3.0497 3.0497 4.0435 4.0435 4.1463 4.1463 4.3704 4.3704 4.4405 4.4405 7.3148 7.3148 7.3197 7.3197 7.7269 7.7269 7.7571 7.7571 8.3313 8.3313 k = 0.2419 0.5000 0.3241 ( 7432 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5513 -22.5513 -22.5513 -22.5513 -16.7267 -16.7267 -16.7246 -16.7246 -16.3875 -16.3875 -16.3829 -16.3829 -16.2923 -16.2923 -16.2899 -16.2899 -7.3041 -7.3041 -7.2962 -7.2962 -6.5303 -6.5303 -6.4216 -6.4216 -6.4165 -6.4165 -6.3142 -6.3142 -3.7519 -3.7519 -3.7496 -3.7496 3.0207 3.0207 3.0488 3.0488 4.0351 4.0351 4.1382 4.1382 4.3694 4.3694 4.4392 4.4392 7.2922 7.2922 7.2969 7.2969 7.7459 7.7459 7.7757 7.7757 8.3269 8.3269 k = 0.2581 0.5000 0.3241 ( 7440 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5512 -22.5512 -22.5512 -22.5512 -16.7275 -16.7275 -16.7255 -16.7255 -16.3893 -16.3893 -16.3849 -16.3849 -16.2898 -16.2898 -16.2876 -16.2876 -7.3046 -7.3046 -7.2966 -7.2966 -6.5307 -6.5307 -6.4247 -6.4247 -6.4141 -6.4141 -6.3144 -6.3144 -3.7490 -3.7490 -3.7467 -3.7467 3.0187 3.0187 3.0471 3.0471 4.0288 4.0288 4.1317 4.1317 4.3675 4.3675 4.4370 4.4370 7.2712 7.2712 7.2756 7.2756 7.7633 7.7633 7.7923 7.7923 8.3227 8.3227 k = 0.2742 0.5000 0.3241 ( 7448 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5512 -22.5512 -22.5512 -22.5512 -16.7283 -16.7283 -16.7263 -16.7263 -16.3909 -16.3909 -16.3867 -16.3867 -16.2875 -16.2875 -16.2854 -16.2854 -7.3049 -7.3049 -7.2971 -7.2971 -6.5307 -6.5307 -6.4301 -6.4301 -6.4095 -6.4095 -6.3150 -6.3150 -3.7462 -3.7462 -3.7439 -3.7439 3.0163 3.0163 3.0446 3.0446 4.0246 4.0246 4.1271 4.1271 4.3646 4.3646 4.4337 4.4337 7.2518 7.2518 7.2561 7.2561 7.7781 7.7781 7.8059 7.8059 8.3202 8.3202 k = 0.2903 0.5000 0.3241 ( 7448 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5511 -22.5511 -22.5511 -22.5511 -16.7291 -16.7291 -16.7271 -16.7271 -16.3924 -16.3924 -16.3884 -16.3884 -16.2852 -16.2852 -16.2833 -16.2833 -7.3053 -7.3053 -7.2976 -7.2976 -6.5305 -6.5305 -6.4356 -6.4356 -6.4046 -6.4046 -6.3158 -6.3158 -3.7434 -3.7434 -3.7411 -3.7411 3.0134 3.0134 3.0414 3.0414 4.0227 4.0227 4.1243 4.1243 4.3605 4.3605 4.4293 4.4293 7.2343 7.2343 7.2385 7.2385 7.7897 7.7897 7.8158 7.8158 8.3205 8.3205 k = 0.3065 0.5000 0.3241 ( 7456 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5511 -22.5511 -22.5511 -22.5511 -16.7298 -16.7298 -16.7279 -16.7279 -16.3939 -16.3939 -16.3901 -16.3901 -16.2831 -16.2831 -16.2813 -16.2813 -7.3056 -7.3056 -7.2981 -7.2981 -6.5300 -6.5300 -6.4411 -6.4411 -6.3998 -6.3998 -6.3168 -6.3168 -3.7406 -3.7406 -3.7384 -3.7384 3.0103 3.0103 3.0375 3.0375 4.0230 4.0230 4.1234 4.1234 4.3554 4.3554 4.4239 4.4239 7.2186 7.2186 7.2227 7.2227 7.7977 7.7977 7.8216 7.8216 8.3242 8.3242 k = 0.3226 0.5000 0.3241 ( 7456 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5510 -22.5510 -22.5510 -22.5510 -16.7305 -16.7305 -16.7287 -16.7287 -16.3951 -16.3951 -16.3916 -16.3916 -16.2811 -16.2811 -16.2795 -16.2795 -7.3058 -7.3058 -7.2987 -7.2987 -6.5291 -6.5291 -6.4466 -6.4466 -6.3950 -6.3950 -6.3182 -6.3182 -3.7379 -3.7379 -3.7358 -3.7358 3.0069 3.0069 3.0330 3.0330 4.0256 4.0256 4.1242 4.1242 4.3492 4.3492 4.4173 4.4173 7.2049 7.2049 7.2089 7.2089 7.8018 7.8018 7.8233 7.8233 8.3314 8.3314 k = 0.3387 0.5000 0.3241 ( 7448 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5510 -22.5510 -22.5510 -22.5510 -16.7312 -16.7312 -16.7295 -16.7295 -16.3963 -16.3963 -16.3930 -16.3930 -16.2793 -16.2793 -16.2778 -16.2778 -7.3060 -7.3060 -7.2993 -7.2993 -6.5279 -6.5279 -6.4521 -6.4521 -6.3902 -6.3902 -6.3197 -6.3197 -3.7354 -3.7354 -3.7334 -3.7334 3.0034 3.0034 3.0281 3.0281 4.0302 4.0302 4.1266 4.1266 4.3421 4.3421 4.4097 4.4097 7.1930 7.1930 7.1969 7.1969 7.8023 7.8023 7.8213 7.8213 8.3419 8.3419 k = 0.3548 0.5000 0.3241 ( 7448 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5509 -22.5509 -22.5509 -22.5509 -16.7318 -16.7318 -16.7302 -16.7302 -16.3973 -16.3973 -16.3943 -16.3943 -16.2776 -16.2776 -16.2763 -16.2763 -7.3062 -7.3062 -7.2999 -7.2999 -6.5264 -6.5264 -6.4575 -6.4575 -6.3855 -6.3855 -6.3215 -6.3215 -3.7329 -3.7329 -3.7311 -3.7311 2.9999 2.9999 3.0229 3.0229 4.0368 4.0368 4.1305 4.1305 4.3342 4.3342 4.4010 4.4010 7.1830 7.1830 7.1866 7.1866 7.7998 7.7998 7.8162 7.8162 8.3529 8.3529 k = 0.3710 0.5000 0.3241 ( 7456 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5509 -22.5509 -22.5509 -22.5509 -16.7324 -16.7324 -16.7309 -16.7309 -16.3982 -16.3982 -16.3955 -16.3955 -16.2761 -16.2761 -16.2749 -16.2749 -7.3063 -7.3063 -7.3005 -7.3005 -6.5246 -6.5246 -6.4628 -6.4628 -6.3809 -6.3809 -6.3236 -6.3236 -3.7307 -3.7307 -3.7290 -3.7290 2.9965 2.9965 3.0175 3.0175 4.0452 4.0452 4.1355 4.1355 4.3257 4.3257 4.3914 4.3914 7.1746 7.1746 7.1780 7.1780 7.7949 7.7949 7.8089 7.8089 8.3657 8.3657 k = 0.3871 0.5000 0.3241 ( 7460 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5509 -22.5509 -22.5508 -22.5508 -16.7328 -16.7328 -16.7315 -16.7315 -16.3990 -16.3990 -16.3966 -16.3966 -16.2747 -16.2747 -16.2737 -16.2737 -7.3063 -7.3063 -7.3012 -7.3012 -6.5225 -6.5225 -6.4680 -6.4680 -6.3763 -6.3763 -6.3258 -6.3258 -3.7286 -3.7286 -3.7271 -3.7271 2.9933 2.9933 3.0122 3.0122 4.0552 4.0552 4.1412 4.1412 4.3169 4.3169 4.3810 4.3810 7.1677 7.1677 7.1709 7.1709 7.7885 7.7885 7.8003 7.8003 8.3794 8.3794 k = 0.4032 0.5000 0.3241 ( 7472 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5508 -22.5508 -22.5508 -22.5508 -16.7333 -16.7333 -16.7321 -16.7321 -16.3997 -16.3997 -16.3976 -16.3976 -16.2735 -16.2735 -16.2726 -16.2726 -7.3063 -7.3063 -7.3018 -7.3018 -6.5201 -6.5201 -6.4731 -6.4731 -6.3718 -6.3718 -6.3283 -6.3283 -3.7268 -3.7268 -3.7254 -3.7254 2.9905 2.9905 3.0069 3.0069 4.0664 4.0664 4.1471 4.1471 4.3084 4.3084 4.3698 4.3698 7.1623 7.1623 7.1651 7.1651 7.7813 7.7813 7.7910 7.7910 8.3930 8.3930 k = 0.4194 0.5000 0.3241 ( 7468 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5508 -22.5508 -22.5508 -22.5508 -16.7336 -16.7336 -16.7326 -16.7326 -16.4002 -16.4002 -16.3984 -16.3984 -16.2724 -16.2724 -16.2717 -16.2717 -7.3062 -7.3062 -7.3024 -7.3024 -6.5174 -6.5174 -6.4780 -6.4780 -6.3674 -6.3674 -6.3310 -6.3310 -3.7252 -3.7252 -3.7240 -3.7240 2.9881 2.9881 3.0021 3.0021 4.0786 4.0786 4.1523 4.1523 4.3007 4.3007 4.3581 4.3581 7.1580 7.1580 7.1605 7.1605 7.7741 7.7741 7.7820 7.7820 8.4055 8.4055 k = 0.4355 0.5000 0.3241 ( 7460 PWs) bands (ev): -35.4195 -35.4195 -35.4195 -35.4195 -22.5508 -22.5508 -22.5508 -22.5508 -16.7339 -16.7339 -16.7331 -16.7331 -16.4006 -16.4006 -16.3992 -16.3992 -16.2715 -16.2715 -16.2710 -16.2710 -7.3061 -7.3061 -7.3030 -7.3030 -6.5145 -6.5145 -6.4828 -6.4828 -6.3632 -6.3632 -6.3339 -6.3339 -3.7238 -3.7238 -3.7229 -3.7229 2.9863 2.9863 2.9976 2.9976 4.0916 4.0916 4.1561 4.1561 4.2947 4.2947 4.3461 4.3461 7.1549 7.1549 7.1570 7.1570 7.7675 7.7675 7.7737 7.7737 8.4164 8.4164 k = 0.4516 0.5000 0.3241 ( 7448 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7341 -16.7341 -16.7335 -16.7335 -16.4008 -16.4008 -16.3998 -16.3998 -16.2708 -16.2708 -16.2704 -16.2704 -7.3059 -7.3059 -7.3035 -7.3035 -6.5113 -6.5113 -6.4874 -6.4874 -6.3590 -6.3590 -6.3370 -6.3370 -3.7227 -3.7227 -3.7220 -3.7220 2.9851 2.9851 2.9937 2.9937 4.1048 4.1048 4.1573 4.1573 4.2915 4.2915 4.3340 4.3340 7.1527 7.1527 7.1543 7.1543 7.7620 7.7620 7.7666 7.7666 8.4251 8.4258 k = 0.4677 0.5000 0.3241 ( 7448 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7342 -16.7342 -16.7338 -16.7338 -16.4010 -16.4010 -16.4003 -16.4003 -16.2703 -16.2703 -16.2700 -16.2700 -7.3056 -7.3056 -7.3040 -7.3040 -6.5079 -6.5079 -6.4919 -6.4919 -6.3550 -6.3550 -6.3402 -6.3402 -3.7219 -3.7219 -3.7214 -3.7214 2.9846 2.9846 2.9904 2.9904 4.1178 4.1178 4.1552 4.1552 4.2917 4.2917 4.3224 4.3224 7.1514 7.1514 7.1525 7.1525 7.7581 7.7581 7.7610 7.7610 8.4317 8.4320 k = 0.4839 0.5000 0.3241 ( 7428 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7342 -16.7342 -16.7340 -16.7340 -16.4010 -16.4010 -16.4006 -16.4006 -16.2699 -16.2699 -16.2698 -16.2698 -7.3053 -7.3053 -7.3045 -7.3045 -6.5042 -6.5042 -6.4962 -6.4962 -6.3510 -6.3510 -6.3437 -6.3437 -3.7213 -3.7213 -3.7211 -3.7211 2.9849 2.9849 2.9878 2.9878 4.1301 4.1301 4.1496 4.1496 4.2955 4.2955 4.3116 4.3116 7.1507 7.1507 7.1513 7.1513 7.7559 7.7559 7.7573 7.7573 8.4358 8.4360 k = 0.5000 0.5000 0.3241 ( 7400 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7341 -16.7341 -16.7341 -16.7341 -16.4008 -16.4008 -16.4008 -16.4008 -16.2697 -16.2697 -16.2697 -16.2697 -7.3049 -7.3049 -7.3049 -7.3049 -6.5003 -6.5003 -6.5003 -6.5003 -6.3473 -6.3473 -6.3473 -6.3473 -3.7210 -3.7210 -3.7210 -3.7210 2.9860 2.9860 2.9860 2.9860 4.1409 4.1409 4.1409 4.1409 4.3024 4.3024 4.3024 4.3024 7.1507 7.1507 7.1507 7.1507 7.7556 7.7556 7.7556 7.7556 8.4375 8.4375 k = 0.5000 0.5000 0.3241 ( 7400 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7341 -16.7341 -16.7341 -16.7341 -16.4008 -16.4008 -16.4008 -16.4008 -16.2697 -16.2697 -16.2697 -16.2697 -7.3049 -7.3049 -7.3049 -7.3049 -6.5003 -6.5003 -6.5003 -6.5003 -6.3473 -6.3473 -6.3473 -6.3473 -3.7210 -3.7210 -3.7210 -3.7210 2.9860 2.9860 2.9860 2.9860 4.1409 4.1409 4.1409 4.1409 4.3024 4.3024 4.3024 4.3024 7.1507 7.1507 7.1507 7.1507 7.7556 7.7556 7.7556 7.7556 8.4375 8.4375 k = 0.4886 0.4886 0.3241 ( 7424 PWs) bands (ev): -35.4195 -35.4195 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7342 -16.7342 -16.7339 -16.7339 -16.4009 -16.4009 -16.4006 -16.4006 -16.2700 -16.2700 -16.2698 -16.2698 -7.3053 -7.3053 -7.3045 -7.3045 -6.5042 -6.5042 -6.4962 -6.4962 -6.3510 -6.3510 -6.3437 -6.3437 -3.7214 -3.7214 -3.7210 -3.7210 2.9847 2.9847 2.9881 2.9881 4.1298 4.1298 4.1499 4.1499 4.2954 4.2954 4.3117 4.3117 7.1498 7.1498 7.1522 7.1522 7.7558 7.7558 7.7574 7.7574 8.4355 8.4357 k = 0.4773 0.4773 0.3241 ( 7440 PWs) bands (ev): -35.4195 -35.4195 -35.4194 -35.4194 -22.5508 -22.5508 -22.5506 -22.5506 -16.7342 -16.7342 -16.7337 -16.7337 -16.4010 -16.4010 -16.4002 -16.4002 -16.2705 -16.2705 -16.2698 -16.2698 -7.3057 -7.3057 -7.3040 -7.3040 -6.5079 -6.5079 -6.4920 -6.4920 -6.3549 -6.3549 -6.3403 -6.3403 -3.7222 -3.7222 -3.7210 -3.7210 2.9829 2.9829 2.9922 2.9922 4.1154 4.1154 4.1580 4.1580 4.2904 4.2904 4.3230 4.3230 7.1473 7.1473 7.1566 7.1566 7.7578 7.7578 7.7614 7.7614 8.4297 8.4297 k = 0.4659 0.4659 0.3241 ( 7460 PWs) bands (ev): -35.4196 -35.4196 -35.4193 -35.4193 -22.5509 -22.5509 -22.5505 -22.5505 -16.7343 -16.7343 -16.7332 -16.7332 -16.4009 -16.4009 -16.3997 -16.3997 -16.2714 -16.2714 -16.2699 -16.2699 -7.3061 -7.3061 -7.3034 -7.3034 -6.5113 -6.5113 -6.4875 -6.4875 -6.3589 -6.3589 -6.3370 -6.3370 -3.7236 -3.7236 -3.7211 -3.7211 2.9805 2.9805 2.9987 2.9987 4.0977 4.0977 4.1664 4.1664 4.2872 4.2872 4.3358 4.3358 7.1433 7.1433 7.1639 7.1639 7.7613 7.7613 7.7679 7.7679 8.4201 8.4201 k = 0.4545 0.4545 0.3241 ( 7472 PWs) bands (ev): -35.4197 -35.4197 -35.4192 -35.4192 -22.5511 -22.5511 -22.5504 -22.5504 -16.7344 -16.7344 -16.7326 -16.7326 -16.4008 -16.4008 -16.3991 -16.3991 -16.2726 -16.2726 -16.2699 -16.2699 -7.3065 -7.3065 -7.3026 -7.3026 -6.5144 -6.5144 -6.4829 -6.4829 -6.3630 -6.3630 -6.3340 -6.3340 -3.7256 -3.7256 -3.7212 -3.7212 2.9773 2.9773 3.0078 3.0078 4.0769 4.0769 4.1755 4.1755 4.2853 4.2853 4.3493 4.3493 7.1381 7.1381 7.1740 7.1740 7.7664 7.7664 7.7768 7.7768 8.4066 8.4066 k = 0.4432 0.4432 0.3241 ( 7468 PWs) bands (ev): -35.4199 -35.4199 -35.4191 -35.4191 -22.5513 -22.5513 -22.5502 -22.5502 -16.7345 -16.7345 -16.7318 -16.7318 -16.4005 -16.4005 -16.3982 -16.3982 -16.2741 -16.2741 -16.2700 -16.2700 -7.3069 -7.3069 -7.3016 -7.3016 -6.5174 -6.5174 -6.4782 -6.4782 -6.3673 -6.3673 -6.3311 -6.3311 -3.7281 -3.7281 -3.7213 -3.7213 2.9738 2.9738 3.0193 3.0193 4.0534 4.0534 4.1854 4.1854 4.2842 4.2842 4.3630 4.3630 7.1322 7.1322 7.1871 7.1871 7.7729 7.7729 7.7882 7.7882 8.3891 8.3891 k = 0.4318 0.4318 0.3241 ( 7456 PWs) bands (ev): -35.4200 -35.4200 -35.4189 -35.4189 -22.5516 -22.5516 -22.5500 -22.5500 -16.7345 -16.7345 -16.7309 -16.7309 -16.4001 -16.4001 -16.3972 -16.3972 -16.2758 -16.2758 -16.2701 -16.2701 -7.3075 -7.3075 -7.3005 -7.3005 -6.5200 -6.5200 -6.4733 -6.4733 -6.3715 -6.3715 -6.3284 -6.3284 -3.7312 -3.7312 -3.7214 -3.7214 2.9701 2.9701 3.0334 3.0334 4.0280 4.0280 4.1959 4.1959 4.2837 4.2837 4.3766 4.3766 7.1259 7.1259 7.2029 7.2029 7.7810 7.7810 7.8020 7.8020 8.3677 8.3677 k = 0.4205 0.4205 0.3241 ( 7458 PWs) bands (ev): -35.4202 -35.4202 -35.4187 -35.4187 -22.5519 -22.5519 -22.5498 -22.5498 -16.7347 -16.7347 -16.7298 -16.7298 -16.3998 -16.3998 -16.3960 -16.3960 -16.2779 -16.2779 -16.2702 -16.2702 -7.3081 -7.3081 -7.2993 -7.2993 -6.5224 -6.5224 -6.4683 -6.4683 -6.3759 -6.3759 -6.3259 -6.3259 -3.7349 -3.7349 -3.7216 -3.7216 2.9667 2.9667 3.0500 3.0500 4.0009 4.0009 4.2066 4.2066 4.2837 4.2837 4.3896 4.3896 7.1197 7.1197 7.2215 7.2215 7.7905 7.7905 7.8181 7.8181 8.3424 8.3424 k = 0.4091 0.4091 0.3241 ( 7452 PWs) bands (ev): -35.4205 -35.4205 -35.4185 -35.4185 -22.5523 -22.5523 -22.5495 -22.5495 -16.7348 -16.7348 -16.7286 -16.7286 -16.3993 -16.3993 -16.3946 -16.3946 -16.2803 -16.2803 -16.2703 -16.2703 -7.3088 -7.3088 -7.2978 -7.2978 -6.5245 -6.5245 -6.4633 -6.4633 -6.3803 -6.3803 -6.3237 -6.3237 -3.7391 -3.7391 -3.7219 -3.7219 2.9637 2.9637 3.0689 3.0689 3.9725 3.9725 4.2170 4.2170 4.2841 4.2841 4.4018 4.4018 7.1141 7.1141 7.2428 7.2428 7.8014 7.8014 7.8365 7.8365 8.3137 8.3137 k = 0.3977 0.3977 0.3241 ( 7440 PWs) bands (ev): -35.4207 -35.4207 -35.4182 -35.4182 -22.5527 -22.5527 -22.5492 -22.5492 -16.7350 -16.7350 -16.7272 -16.7272 -16.3988 -16.3988 -16.3931 -16.3931 -16.2829 -16.2829 -16.2704 -16.2704 -7.3095 -7.3095 -7.2962 -7.2962 -6.5263 -6.5263 -6.4582 -6.4582 -6.3847 -6.3847 -6.3216 -6.3216 -3.7439 -3.7439 -3.7222 -3.7222 2.9614 2.9614 3.0902 3.0902 3.9432 3.9432 4.2267 4.2267 4.2849 4.2849 4.4131 4.4131 7.1095 7.1095 7.2666 7.2666 7.8138 7.8138 7.8570 7.8570 8.2819 8.2819 k = 0.3864 0.3864 0.3241 ( 7436 PWs) bands (ev): -35.4210 -35.4210 -35.4179 -35.4179 -22.5531 -22.5531 -22.5489 -22.5489 -16.7351 -16.7351 -16.7258 -16.7258 -16.3982 -16.3982 -16.3914 -16.3914 -16.2858 -16.2858 -16.2705 -16.2705 -7.3103 -7.3103 -7.2944 -7.2944 -6.5278 -6.5278 -6.4530 -6.4530 -6.3891 -6.3891 -6.3198 -6.3198 -3.7493 -3.7493 -3.7227 -3.7227 2.9603 2.9603 3.1138 3.1138 3.9131 3.9131 4.2352 4.2352 4.2862 4.2862 4.4234 4.4234 7.1064 7.1064 7.2930 7.2930 7.8274 7.8274 7.8795 7.8795 8.2474 8.2474 k = 0.3750 0.3750 0.3241 ( 7438 PWs) bands (ev): -35.4213 -35.4213 -35.4176 -35.4176 -22.5536 -22.5536 -22.5485 -22.5485 -16.7354 -16.7354 -16.7242 -16.7242 -16.3976 -16.3976 -16.3895 -16.3895 -16.2889 -16.2889 -16.2705 -16.2705 -7.3112 -7.3112 -7.2925 -7.2925 -6.5290 -6.5290 -6.4479 -6.4479 -6.3934 -6.3934 -6.3181 -6.3181 -3.7552 -3.7552 -3.7232 -3.7232 2.9604 2.9604 3.1397 3.1397 3.8826 3.8826 4.2419 4.2419 4.2879 4.2879 4.4325 4.4325 7.1048 7.1048 7.3217 7.3217 7.8422 7.8422 7.9037 7.9037 8.2107 8.2107 k = 0.3636 0.3636 0.3241 ( 7434 PWs) bands (ev): -35.4217 -35.4217 -35.4173 -35.4173 -22.5541 -22.5541 -22.5481 -22.5481 -16.7356 -16.7356 -16.7226 -16.7226 -16.3970 -16.3970 -16.3875 -16.3875 -16.2922 -16.2922 -16.2706 -16.2706 -7.3122 -7.3122 -7.2904 -7.2904 -6.5299 -6.5299 -6.4427 -6.4427 -6.3977 -6.3977 -6.3167 -6.3167 -3.7618 -3.7618 -3.7238 -3.7238 2.9621 2.9621 3.1676 3.1676 3.8518 3.8518 4.2467 4.2467 4.2900 4.2900 4.4405 4.4405 7.1051 7.1051 7.3526 7.3526 7.8580 7.8580 7.9295 7.9295 8.1724 8.1724 k = 0.3523 0.3523 0.3241 ( 7448 PWs) bands (ev): -35.4220 -35.4220 -35.4169 -35.4169 -22.5546 -22.5546 -22.5477 -22.5477 -16.7359 -16.7359 -16.7210 -16.7210 -16.3963 -16.3963 -16.3854 -16.3854 -16.2957 -16.2957 -16.2707 -16.2707 -7.3132 -7.3132 -7.2881 -7.2881 -6.5306 -6.5306 -6.4377 -6.4377 -6.4019 -6.4019 -6.3155 -6.3155 -3.7688 -3.7688 -3.7246 -3.7246 2.9655 2.9655 3.1977 3.1977 3.8209 3.8209 4.2493 4.2493 4.2924 4.2924 4.4472 4.4472 7.1073 7.1073 7.3857 7.3857 7.8745 7.8745 7.9565 7.9565 8.1328 8.1328 k = 0.3409 0.3409 0.3241 ( 7456 PWs) bands (ev): -35.4224 -35.4224 -35.4166 -35.4166 -22.5552 -22.5552 -22.5472 -22.5472 -16.7363 -16.7363 -16.7193 -16.7193 -16.3956 -16.3956 -16.3832 -16.3832 -16.2993 -16.2993 -16.2707 -16.2707 -7.3142 -7.3142 -7.2857 -7.2857 -6.5310 -6.5310 -6.4328 -6.4328 -6.4059 -6.4059 -6.3145 -6.3145 -3.7764 -3.7764 -3.7255 -3.7255 2.9706 2.9706 3.2296 3.2296 3.7902 3.7902 4.2498 4.2498 4.2949 4.2949 4.4528 4.4528 7.1114 7.1114 7.4206 7.4206 7.8916 7.8916 7.9842 7.9842 8.0926 8.0926 k = 0.3295 0.3295 0.3241 ( 7452 PWs) bands (ev): -35.4228 -35.4228 -35.4162 -35.4162 -22.5558 -22.5558 -22.5468 -22.5468 -16.7366 -16.7366 -16.7175 -16.7175 -16.3948 -16.3948 -16.3808 -16.3808 -16.3031 -16.3031 -16.2707 -16.2707 -7.3153 -7.3153 -7.2831 -7.2831 -6.5310 -6.5310 -6.4283 -6.4283 -6.4094 -6.4094 -6.3137 -6.3137 -3.7845 -3.7845 -3.7265 -3.7265 2.9776 2.9776 3.2635 3.2635 3.7598 3.7598 4.2484 4.2484 4.2974 4.2974 4.4571 4.4571 7.1171 7.1171 7.4574 7.4574 7.9086 7.9086 8.0115 8.0116 8.0528 8.0528 k = 0.3182 0.3182 0.3241 ( 7458 PWs) bands (ev): -35.4233 -35.4233 -35.4158 -35.4158 -22.5564 -22.5564 -22.5463 -22.5463 -16.7371 -16.7371 -16.7157 -16.7157 -16.3940 -16.3940 -16.3783 -16.3783 -16.3070 -16.3070 -16.2707 -16.2707 -7.3164 -7.3164 -7.2804 -7.2804 -6.5309 -6.5309 -6.4247 -6.4247 -6.4120 -6.4120 -6.3130 -6.3130 -3.7930 -3.7930 -3.7277 -3.7277 2.9865 2.9865 3.2990 3.2990 3.7298 3.7298 4.2452 4.2452 4.2997 4.2997 4.4602 4.4602 7.1242 7.1242 7.4956 7.4956 7.9245 7.9245 8.0087 8.0087 8.0435 8.0435 k = 0.3068 0.3068 0.3241 ( 7460 PWs) bands (ev): -35.4237 -35.4237 -35.4154 -35.4154 -22.5571 -22.5571 -22.5458 -22.5458 -16.7375 -16.7375 -16.7139 -16.7139 -16.3933 -16.3933 -16.3757 -16.3757 -16.3110 -16.3110 -16.2706 -16.2706 -7.3176 -7.3176 -7.2776 -7.2776 -6.5304 -6.5304 -6.4237 -6.4237 -6.4121 -6.4121 -6.3126 -6.3126 -3.8020 -3.8020 -3.7291 -3.7291 2.9973 2.9973 3.3362 3.3362 3.7006 3.7006 4.2404 4.2404 4.3019 4.3019 4.4621 4.4621 7.1323 7.1323 7.5352 7.5352 7.9354 7.9354 7.9737 7.9737 8.0697 8.0697 k = 0.2955 0.2955 0.3241 ( 7472 PWs) bands (ev): -35.4241 -35.4241 -35.4150 -35.4150 -22.5577 -22.5577 -22.5453 -22.5453 -16.7380 -16.7380 -16.7122 -16.7122 -16.3925 -16.3925 -16.3730 -16.3730 -16.3151 -16.3151 -16.2704 -16.2704 -7.3188 -7.3188 -7.2747 -7.2747 -6.5297 -6.5297 -6.4255 -6.4255 -6.4093 -6.4093 -6.3123 -6.3123 -3.8114 -3.8114 -3.7307 -3.7307 3.0098 3.0098 3.3747 3.3747 3.6722 3.6722 4.2341 4.2341 4.3040 4.3040 4.4628 4.4628 7.1411 7.1411 7.5757 7.5757 7.9175 7.9175 7.9649 7.9649 8.0946 8.0946 k = 0.2841 0.2841 0.3241 ( 7472 PWs) bands (ev): -35.4246 -35.4246 -35.4145 -35.4145 -22.5584 -22.5584 -22.5447 -22.5447 -16.7386 -16.7386 -16.7104 -16.7104 -16.3917 -16.3917 -16.3703 -16.3703 -16.3191 -16.3191 -16.2701 -16.2701 -7.3200 -7.3200 -7.2717 -7.2717 -6.5288 -6.5288 -6.4284 -6.4284 -6.4053 -6.4053 -6.3121 -6.3121 -3.8211 -3.8211 -3.7324 -3.7324 3.0241 3.0241 3.4144 3.4144 3.6449 3.6449 4.2265 4.2265 4.3061 4.3061 4.4624 4.4624 7.1501 7.1501 7.6166 7.6166 7.8801 7.8801 7.9734 7.9734 8.0663 8.0663 k = 0.2727 0.2727 0.3241 ( 7472 PWs) bands (ev): -35.4250 -35.4250 -35.4141 -35.4141 -22.5591 -22.5591 -22.5442 -22.5442 -16.7392 -16.7392 -16.7087 -16.7087 -16.3909 -16.3909 -16.3675 -16.3675 -16.3232 -16.3232 -16.2698 -16.2698 -7.3212 -7.3212 -7.2687 -7.2687 -6.5276 -6.5276 -6.4316 -6.4316 -6.4012 -6.4012 -6.3120 -6.3120 -3.8312 -3.8312 -3.7344 -3.7344 3.0398 3.0398 3.4549 3.4549 3.6192 3.6192 4.2180 4.2180 4.3082 4.3082 4.4608 4.4608 7.1589 7.1589 7.6571 7.6571 7.8417 7.8417 7.9803 7.9804 8.0291 8.0291 k = 0.2614 0.2614 0.3241 ( 7476 PWs) bands (ev): -35.4255 -35.4255 -35.4137 -35.4137 -22.5598 -22.5598 -22.5437 -22.5437 -16.7398 -16.7398 -16.7071 -16.7071 -16.3901 -16.3901 -16.3647 -16.3647 -16.3272 -16.3272 -16.2694 -16.2694 -7.3224 -7.3224 -7.2655 -7.2655 -6.5263 -6.5263 -6.4348 -6.4348 -6.3971 -6.3971 -6.3121 -6.3121 -3.8415 -3.8415 -3.7365 -3.7365 3.0568 3.0568 3.4950 3.4950 3.5962 3.5962 4.2089 4.2089 4.3104 4.3104 4.4582 4.4582 7.1671 7.1671 7.6938 7.6938 7.8072 7.8072 7.9823 7.9823 7.9921 7.9921 k = 0.2500 0.2500 0.3241 ( 7480 PWs) bands (ev): -35.4260 -35.4260 -35.4132 -35.4132 -22.5605 -22.5605 -22.5431 -22.5431 -16.7405 -16.7405 -16.7055 -16.7055 -16.3894 -16.3894 -16.3620 -16.3620 -16.3312 -16.3312 -16.2688 -16.2688 -7.3236 -7.3236 -7.2624 -7.2624 -6.5248 -6.5248 -6.4379 -6.4379 -6.3931 -6.3931 -6.3121 -6.3121 -3.8520 -3.8520 -3.7389 -3.7389 3.0748 3.0748 3.5285 3.5285 3.5819 3.5819 4.1997 4.1997 4.3127 4.3127 4.4546 4.4546 7.1743 7.1743 7.7130 7.7130 7.7907 7.7907 7.9546 7.9546 7.9785 7.9785 k = 0.2386 0.2386 0.3241 ( 7474 PWs) bands (ev): -35.4264 -35.4264 -35.4128 -35.4128 -22.5612 -22.5612 -22.5426 -22.5426 -16.7411 -16.7411 -16.7039 -16.7039 -16.3887 -16.3887 -16.3593 -16.3593 -16.3350 -16.3350 -16.2682 -16.2682 -7.3248 -7.3248 -7.2592 -7.2592 -6.5231 -6.5231 -6.4409 -6.4409 -6.3894 -6.3894 -6.3122 -6.3122 -3.8626 -3.8626 -3.7414 -3.7414 3.0935 3.0935 3.5317 3.5317 3.6000 3.6000 4.1908 4.1908 4.3151 4.3151 4.4501 4.4501 7.1803 7.1803 7.6953 7.6953 7.8109 7.8109 7.9188 7.9188 7.9663 7.9663 k = 0.2273 0.2273 0.3241 ( 7478 PWs) bands (ev): -35.4269 -35.4269 -35.4123 -35.4123 -22.5618 -22.5618 -22.5421 -22.5421 -16.7419 -16.7419 -16.7025 -16.7025 -16.3880 -16.3880 -16.3567 -16.3567 -16.3388 -16.3388 -16.2675 -16.2675 -7.3259 -7.3259 -7.2559 -7.2559 -6.5213 -6.5213 -6.4437 -6.4437 -6.3860 -6.3860 -6.3123 -6.3123 -3.8733 -3.8733 -3.7441 -3.7441 3.1126 3.1126 3.5155 3.5155 3.6396 3.6396 4.1826 4.1826 4.3176 4.3176 4.4447 4.4447 7.1849 7.1849 7.6619 7.6619 7.8420 7.8420 7.8889 7.8889 7.9455 7.9455 k = 0.2159 0.2159 0.3241 ( 7468 PWs) bands (ev): -35.4274 -35.4274 -35.4119 -35.4119 -22.5625 -22.5625 -22.5415 -22.5415 -16.7427 -16.7427 -16.7010 -16.7010 -16.3874 -16.3874 -16.3541 -16.3541 -16.3424 -16.3424 -16.2666 -16.2666 -7.3270 -7.3270 -7.2527 -7.2527 -6.5193 -6.5193 -6.4463 -6.4463 -6.3830 -6.3830 -6.3123 -6.3123 -3.8840 -3.8840 -3.7469 -3.7469 3.1316 3.1316 3.4971 3.4971 3.6832 3.6832 4.1756 4.1756 4.3202 4.3202 4.4386 4.4386 7.1880 7.1880 7.6255 7.6255 7.8356 7.8356 7.8990 7.8990 7.9173 7.9173 k = 0.2045 0.2045 0.3241 ( 7478 PWs) bands (ev): -35.4278 -35.4278 -35.4114 -35.4114 -22.5632 -22.5632 -22.5410 -22.5410 -16.7435 -16.7435 -16.6997 -16.6997 -16.3869 -16.3869 -16.3517 -16.3517 -16.3458 -16.3458 -16.2656 -16.2656 -7.3281 -7.3281 -7.2495 -7.2495 -6.5173 -6.5173 -6.4487 -6.4487 -6.3804 -6.3804 -6.3121 -6.3121 -3.8947 -3.8947 -3.7499 -3.7499 3.1503 3.1503 3.4793 3.4793 3.7279 3.7279 4.1702 4.1702 4.3229 4.3229 4.4319 4.4319 7.1894 7.1894 7.5889 7.5889 7.8038 7.8038 7.8762 7.8762 7.9405 7.9405 k = 0.1932 0.1932 0.3241 ( 7482 PWs) bands (ev): -35.4283 -35.4283 -35.4110 -35.4110 -22.5639 -22.5639 -22.5405 -22.5405 -16.7443 -16.7443 -16.6984 -16.6984 -16.3866 -16.3866 -16.3498 -16.3498 -16.3486 -16.3486 -16.2645 -16.2645 -7.3291 -7.3291 -7.2464 -7.2464 -6.5152 -6.5152 -6.4510 -6.4510 -6.3782 -6.3782 -6.3117 -6.3117 -3.9052 -3.9052 -3.7531 -3.7531 3.1682 3.1682 3.4627 3.4627 3.7730 3.7730 4.1668 4.1668 4.3257 4.3257 4.4247 4.4247 7.1893 7.1893 7.5528 7.5528 7.7704 7.7704 7.8309 7.8309 7.9815 7.9815 k = 0.1818 0.1818 0.3241 ( 7482 PWs) bands (ev): -35.4287 -35.4287 -35.4106 -35.4106 -22.5645 -22.5645 -22.5400 -22.5400 -16.7452 -16.7452 -16.6973 -16.6973 -16.3863 -16.3863 -16.3521 -16.3521 -16.3471 -16.3471 -16.2632 -16.2632 -7.3300 -7.3300 -7.2433 -7.2433 -6.5130 -6.5130 -6.4530 -6.4530 -6.3765 -6.3765 -6.3112 -6.3112 -3.9156 -3.9156 -3.7563 -3.7563 3.1850 3.1850 3.4475 3.4475 3.8179 3.8179 4.1656 4.1656 4.3286 4.3286 4.4171 4.4171 7.1878 7.1878 7.5176 7.5176 7.7375 7.7375 7.7795 7.7795 8.0226 8.0226 k = 0.1705 0.1705 0.3241 ( 7486 PWs) bands (ev): -35.4291 -35.4291 -35.4102 -35.4102 -22.5651 -22.5651 -22.5395 -22.5395 -16.7460 -16.7460 -16.6962 -16.6962 -16.3862 -16.3862 -16.3548 -16.3548 -16.3451 -16.3451 -16.2619 -16.2619 -7.3309 -7.3309 -7.2403 -7.2403 -6.5108 -6.5108 -6.4549 -6.4549 -6.3753 -6.3753 -6.3104 -6.3104 -3.9257 -3.9257 -3.7596 -3.7596 3.2004 3.2004 3.4337 3.4337 3.8623 3.8623 4.1669 4.1669 4.3314 4.3314 4.4094 4.4094 7.1849 7.1849 7.4837 7.4837 7.7057 7.7057 7.7238 7.7238 8.0612 8.0612 k = 0.1591 0.1591 0.3241 ( 7482 PWs) bands (ev): -35.4295 -35.4295 -35.4098 -35.4098 -22.5657 -22.5657 -22.5390 -22.5390 -16.7469 -16.7469 -16.6951 -16.6951 -16.3862 -16.3862 -16.3571 -16.3571 -16.3433 -16.3433 -16.2605 -16.2605 -7.3317 -7.3317 -7.2374 -7.2374 -6.5087 -6.5087 -6.4566 -6.4566 -6.3746 -6.3746 -6.3094 -6.3094 -3.9354 -3.9354 -3.7629 -3.7629 3.2141 3.2141 3.4214 3.4214 3.9060 3.9060 4.1708 4.1708 4.3342 4.3342 4.4017 4.4017 7.1808 7.1808 7.4512 7.4512 7.6653 7.6653 7.6752 7.6752 8.0322 8.0322 k = 0.1477 0.1477 0.3241 ( 7466 PWs) bands (ev): -35.4299 -35.4299 -35.4094 -35.4094 -22.5663 -22.5663 -22.5386 -22.5386 -16.7478 -16.7478 -16.6941 -16.6941 -16.3865 -16.3865 -16.3592 -16.3592 -16.3416 -16.3416 -16.2589 -16.2589 -7.3325 -7.3325 -7.2346 -7.2346 -6.5065 -6.5065 -6.4580 -6.4580 -6.3743 -6.3743 -6.3081 -6.3081 -3.9448 -3.9448 -3.7663 -3.7663 3.2259 3.2259 3.4105 3.4105 3.9485 3.9485 4.1770 4.1770 4.3368 4.3368 4.3946 4.3946 7.1758 7.1758 7.4202 7.4202 7.6056 7.6056 7.6460 7.6460 7.9970 7.9970 k = 0.1364 0.1364 0.3241 ( 7470 PWs) bands (ev): -35.4302 -35.4302 -35.4091 -35.4091 -22.5668 -22.5668 -22.5382 -22.5382 -16.7486 -16.7486 -16.6933 -16.6933 -16.3869 -16.3869 -16.3609 -16.3609 -16.3401 -16.3401 -16.2573 -16.2573 -7.3332 -7.3332 -7.2319 -7.2319 -6.5045 -6.5045 -6.4593 -6.4593 -6.3745 -6.3745 -6.3067 -6.3067 -3.9537 -3.9537 -3.7696 -3.7696 3.2359 3.2359 3.4009 3.4009 3.9896 3.9896 4.1855 4.1855 4.3389 4.3389 4.3883 4.3883 7.1701 7.1701 7.3910 7.3910 7.5457 7.5457 7.6185 7.6185 7.9604 7.9604 k = 0.1250 0.1250 0.3241 ( 7472 PWs) bands (ev): -35.4306 -35.4306 -35.4088 -35.4088 -22.5673 -22.5673 -22.5378 -22.5378 -16.7494 -16.7494 -16.6925 -16.6925 -16.3875 -16.3875 -16.3623 -16.3623 -16.3388 -16.3388 -16.2558 -16.2558 -7.3339 -7.3339 -7.2294 -7.2294 -6.5025 -6.5025 -6.4604 -6.4604 -6.3750 -6.3750 -6.3051 -6.3051 -3.9622 -3.9622 -3.7729 -3.7729 3.2439 3.2439 3.3927 3.3927 4.0289 4.0289 4.1958 4.1958 4.3403 4.3403 4.3836 4.3836 7.1639 7.1639 7.3635 7.3635 7.4868 7.4868 7.5927 7.5927 7.9235 7.9235 k = 0.1136 0.1136 0.3241 ( 7474 PWs) bands (ev): -35.4309 -35.4309 -35.4085 -35.4085 -22.5678 -22.5678 -22.5374 -22.5374 -16.7502 -16.7502 -16.6918 -16.6918 -16.3882 -16.3882 -16.3634 -16.3634 -16.3376 -16.3376 -16.2542 -16.2542 -7.3344 -7.3344 -7.2271 -7.2271 -6.5006 -6.5006 -6.4613 -6.4613 -6.3757 -6.3757 -6.3035 -6.3035 -3.9701 -3.9701 -3.7760 -3.7760 3.2501 3.2501 3.3857 3.3857 4.0660 4.0660 4.2073 4.2073 4.3405 4.3405 4.3811 4.3811 7.1573 7.1573 7.3381 7.3381 7.4298 7.4298 7.5687 7.5687 7.8869 7.8869 k = 0.1023 0.1023 0.3241 ( 7466 PWs) bands (ev): -35.4312 -35.4312 -35.4082 -35.4082 -22.5682 -22.5682 -22.5371 -22.5371 -16.7510 -16.7510 -16.6912 -16.6912 -16.3890 -16.3890 -16.3642 -16.3642 -16.3366 -16.3366 -16.2527 -16.2527 -7.3350 -7.3350 -7.2249 -7.2249 -6.4989 -6.4989 -6.4620 -6.4620 -6.3767 -6.3767 -6.3018 -6.3018 -3.9773 -3.9773 -3.7790 -3.7790 3.2548 3.2548 3.3798 3.3798 4.1003 4.1003 4.2195 4.2195 4.3394 4.3394 4.3812 4.3812 7.1507 7.1507 7.3146 7.3146 7.3754 7.3754 7.5467 7.5467 7.8515 7.8515 k = 0.0909 0.0909 0.3241 ( 7458 PWs) bands (ev): -35.4314 -35.4314 -35.4079 -35.4079 -22.5686 -22.5686 -22.5367 -22.5367 -16.7517 -16.7517 -16.6906 -16.6906 -16.3899 -16.3899 -16.3648 -16.3648 -16.3357 -16.3357 -16.2513 -16.2513 -7.3354 -7.3354 -7.2229 -7.2229 -6.4973 -6.4973 -6.4626 -6.4626 -6.3778 -6.3778 -6.3001 -6.3001 -3.9840 -3.9840 -3.7818 -3.7818 3.2580 3.2580 3.3749 3.3749 4.1315 4.1315 4.2316 4.2316 4.3376 4.3376 4.3838 4.3838 7.1443 7.1443 7.2932 7.2932 7.3247 7.3247 7.5268 7.5268 7.8177 7.8177 k = 0.0795 0.0795 0.3241 ( 7456 PWs) bands (ev): -35.4317 -35.4317 -35.4077 -35.4077 -22.5690 -22.5690 -22.5365 -22.5365 -16.7523 -16.7523 -16.6901 -16.6901 -16.3908 -16.3908 -16.3652 -16.3652 -16.3350 -16.3350 -16.2499 -16.2499 -7.3358 -7.3358 -7.2211 -7.2211 -6.4959 -6.4959 -6.4630 -6.4630 -6.3790 -6.3790 -6.2986 -6.2986 -3.9899 -3.9899 -3.7843 -3.7843 3.2602 3.2602 3.3710 3.3710 4.1590 4.1590 4.2432 4.2432 4.3360 4.3360 4.3883 4.3883 7.1381 7.1381 7.2721 7.2721 7.2800 7.2800 7.5089 7.5089 7.7864 7.7864 k = 0.0682 0.0682 0.3241 ( 7456 PWs) bands (ev): -35.4319 -35.4319 -35.4075 -35.4075 -22.5693 -22.5693 -22.5362 -22.5362 -16.7529 -16.7529 -16.6897 -16.6897 -16.3916 -16.3916 -16.3654 -16.3654 -16.3344 -16.3344 -16.2487 -16.2487 -7.3361 -7.3361 -7.2196 -7.2196 -6.4946 -6.4946 -6.4633 -6.4633 -6.3801 -6.3801 -6.2971 -6.2971 -3.9952 -3.9952 -3.7867 -3.7867 3.2614 3.2614 3.3678 3.3678 4.1821 4.1821 4.2536 4.2536 4.3352 4.3352 4.3939 4.3939 7.1324 7.1324 7.2348 7.2348 7.2587 7.2587 7.4933 7.4933 7.7579 7.7579 k = 0.0568 0.0568 0.3241 ( 7456 PWs) bands (ev): -35.4321 -35.4321 -35.4073 -35.4073 -22.5696 -22.5696 -22.5360 -22.5360 -16.7534 -16.7534 -16.6894 -16.6894 -16.3924 -16.3924 -16.3656 -16.3656 -16.3339 -16.3339 -16.2476 -16.2476 -7.3364 -7.3364 -7.2182 -7.2182 -6.4936 -6.4936 -6.4635 -6.4635 -6.3812 -6.3812 -6.2958 -6.2958 -3.9996 -3.9996 -3.7887 -3.7887 3.2620 3.2620 3.3654 3.3654 4.2004 4.2004 4.2628 4.2628 4.3358 4.3358 4.4002 4.4002 7.1274 7.1274 7.1984 7.1984 7.2442 7.2442 7.4800 7.4800 7.7329 7.7329 k = 0.0455 0.0455 0.3241 ( 7472 PWs) bands (ev): -35.4322 -35.4322 -35.4072 -35.4072 -22.5698 -22.5698 -22.5359 -22.5359 -16.7538 -16.7538 -16.6891 -16.6891 -16.3931 -16.3931 -16.3657 -16.3657 -16.3335 -16.3335 -16.2467 -16.2467 -7.3366 -7.3366 -7.2171 -7.2171 -6.4927 -6.4927 -6.4636 -6.4636 -6.3822 -6.3822 -6.2947 -6.2947 -4.0033 -4.0033 -3.7904 -3.7904 3.2622 3.2622 3.3635 3.3635 4.2137 4.2137 4.2707 4.2707 4.3377 4.3377 4.4065 4.4065 7.1230 7.1230 7.1676 7.1676 7.2324 7.2324 7.4690 7.4690 7.7118 7.7118 k = 0.0341 0.0341 0.3241 ( 7460 PWs) bands (ev): -35.4323 -35.4323 -35.4071 -35.4071 -22.5699 -22.5699 -22.5357 -22.5357 -16.7541 -16.7541 -16.6889 -16.6889 -16.3937 -16.3937 -16.3658 -16.3658 -16.3332 -16.3332 -16.2460 -16.2460 -7.3368 -7.3368 -7.2163 -7.2163 -6.4920 -6.4920 -6.4636 -6.4636 -6.3830 -6.3830 -6.2938 -6.2938 -4.0062 -4.0062 -3.7917 -3.7917 3.2621 3.2621 3.3622 3.3622 4.2226 4.2226 4.2771 4.2771 4.3404 4.3404 4.4122 4.4122 7.1196 7.1196 7.1432 7.1432 7.2232 7.2232 7.4604 7.4604 7.6949 7.6949 k = 0.0227 0.0227 0.3241 ( 7470 PWs) bands (ev): -35.4324 -35.4324 -35.4070 -35.4070 -22.5701 -22.5701 -22.5356 -22.5356 -16.7544 -16.7544 -16.6887 -16.6887 -16.3941 -16.3941 -16.3658 -16.3658 -16.3330 -16.3330 -16.2454 -16.2454 -7.3369 -7.3369 -7.2156 -7.2156 -6.4916 -6.4916 -6.4636 -6.4636 -6.3836 -6.3836 -6.2932 -6.2932 -4.0083 -4.0083 -3.7927 -3.7927 3.2620 3.2620 3.3613 3.3613 4.2279 4.2279 4.2818 4.2818 4.3433 4.3433 4.4167 4.4167 7.1171 7.1171 7.1254 7.1254 7.2167 7.2167 7.4542 7.4542 7.6827 7.6827 k = 0.0114 0.0114 0.3241 ( 7466 PWs) bands (ev): -35.4325 -35.4325 -35.4070 -35.4070 -22.5701 -22.5701 -22.5356 -22.5356 -16.7545 -16.7545 -16.6886 -16.6886 -16.3944 -16.3944 -16.3658 -16.3658 -16.3328 -16.3328 -16.2451 -16.2451 -7.3370 -7.3370 -7.2153 -7.2153 -6.4913 -6.4913 -6.4636 -6.4636 -6.3840 -6.3840 -6.2928 -6.2928 -4.0096 -4.0096 -3.7933 -3.7933 3.2618 3.2618 3.3607 3.3607 4.2307 4.2307 4.2846 4.2846 4.3454 4.3454 4.4196 4.4196 7.1144 7.1144 7.1158 7.1158 7.2127 7.2127 7.4505 7.4505 7.6752 7.6752 k = 0.0000 0.0000 0.3241 ( 7480 PWs) bands (ev): -35.4325 -35.4325 -35.4069 -35.4069 -22.5702 -22.5702 -22.5355 -22.5355 -16.7546 -16.7546 -16.6886 -16.6886 -16.3945 -16.3945 -16.3659 -16.3659 -16.3328 -16.3328 -16.2450 -16.2450 -7.3370 -7.3370 -7.2151 -7.2151 -6.4912 -6.4912 -6.4636 -6.4636 -6.3841 -6.3841 -6.2926 -6.2926 -4.0100 -4.0100 -3.7935 -3.7935 3.2618 3.2618 3.3606 3.3606 4.2315 4.2315 4.2856 4.2856 4.3462 4.3462 4.4206 4.4206 7.1110 7.1110 7.1151 7.1151 7.2114 7.2114 7.4492 7.4492 7.6727 7.6727 k = 0.0000 0.5000-0.0000 ( 7460 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3242 -16.3242 -16.3242 -16.3242 -7.2945 -7.2945 -7.2945 -7.2945 -6.4854 -6.4854 -6.4854 -6.4854 -6.3451 -6.3451 -6.3451 -6.3451 -3.8038 -3.8038 -3.8038 -3.8038 3.2516 3.2516 3.2516 3.2516 4.2136 4.2136 4.2136 4.2136 4.3339 4.3339 4.3339 4.3339 7.3371 7.3371 7.3371 7.3371 7.7364 7.7364 7.7364 7.7364 7.8770 7.8770 k = 0.0000 0.5000 0.0162 ( 7470 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3243 -16.3243 -16.3243 -16.3243 -7.2945 -7.2945 -7.2945 -7.2945 -6.4854 -6.4854 -6.4854 -6.4854 -6.3451 -6.3451 -6.3451 -6.3451 -3.8036 -3.8036 -3.8036 -3.8036 3.2500 3.2500 3.2500 3.2500 4.2139 4.2139 4.2139 4.2139 4.3343 4.3343 4.3343 4.3343 7.3371 7.3371 7.3371 7.3371 7.7369 7.7369 7.7369 7.7369 7.8790 7.8790 k = 0.0000 0.5000 0.0324 ( 7474 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3243 -16.3243 -16.3243 -16.3243 -7.2945 -7.2945 -7.2945 -7.2945 -6.4855 -6.4855 -6.4855 -6.4855 -6.3451 -6.3451 -6.3451 -6.3451 -3.8031 -3.8031 -3.8031 -3.8031 3.2453 3.2453 3.2453 3.2453 4.2147 4.2147 4.2147 4.2147 4.3354 4.3354 4.3354 4.3354 7.3370 7.3370 7.3370 7.3370 7.7384 7.7384 7.7384 7.7384 7.8850 7.8850 k = 0.0000 0.5000 0.0486 ( 7478 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3243 -16.3243 -16.3243 -16.3243 -7.2946 -7.2946 -7.2946 -7.2946 -6.4857 -6.4857 -6.4857 -6.4857 -6.3450 -6.3450 -6.3450 -6.3450 -3.8024 -3.8024 -3.8024 -3.8024 3.2376 3.2376 3.2376 3.2376 4.2160 4.2160 4.2160 4.2160 4.3371 4.3371 4.3371 4.3371 7.3370 7.3370 7.3370 7.3370 7.7410 7.7410 7.7410 7.7410 7.8946 7.8946 k = 0.0000 0.5000 0.0648 ( 7466 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3243 -16.3243 -16.3243 -16.3243 -7.2947 -7.2947 -7.2947 -7.2947 -6.4860 -6.4860 -6.4860 -6.4860 -6.3449 -6.3449 -6.3449 -6.3449 -3.8013 -3.8013 -3.8013 -3.8013 3.2272 3.2272 3.2272 3.2272 4.2176 4.2176 4.2176 4.2176 4.3395 4.3395 4.3395 4.3395 7.3374 7.3374 7.3374 7.3374 7.7445 7.7445 7.7445 7.7445 7.9072 7.9072 k = 0.0000 0.5000 0.0810 ( 7466 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3243 -16.3243 -16.3243 -16.3243 -7.2948 -7.2948 -7.2948 -7.2948 -6.4863 -6.4863 -6.4863 -6.4863 -6.3448 -6.3448 -6.3448 -6.3448 -3.8000 -3.8000 -3.8000 -3.8000 3.2145 3.2145 3.2145 3.2145 4.2194 4.2194 4.2194 4.2194 4.3425 4.3425 4.3425 4.3425 7.3384 7.3384 7.3384 7.3384 7.7489 7.7489 7.7489 7.7489 7.9222 7.9222 k = 0.0000 0.5000 0.0972 ( 7468 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3243 -16.3243 -16.3243 -16.3243 -7.2950 -7.2950 -7.2950 -7.2950 -6.4866 -6.4866 -6.4866 -6.4866 -6.3447 -6.3447 -6.3447 -6.3447 -3.7984 -3.7984 -3.7984 -3.7984 3.1999 3.1999 3.1999 3.1999 4.2214 4.2214 4.2214 4.2214 4.3460 4.3460 4.3460 4.3460 7.3403 7.3403 7.3403 7.3403 7.7542 7.7542 7.7542 7.7542 7.9388 7.9388 k = 0.0000 0.5000 0.1134 ( 7474 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3243 -16.3243 -16.3243 -16.3243 -7.2951 -7.2951 -7.2951 -7.2951 -6.4870 -6.4870 -6.4870 -6.4870 -6.3445 -6.3445 -6.3445 -6.3445 -3.7966 -3.7966 -3.7966 -3.7966 3.1838 3.1838 3.1838 3.1838 4.2233 4.2233 4.2233 4.2233 4.3498 4.3498 4.3498 4.3498 7.3432 7.3432 7.3432 7.3432 7.7600 7.7600 7.7600 7.7600 7.9564 7.9564 k = 0.0000 0.5000 0.1297 ( 7474 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3243 -16.3243 -16.3243 -16.3243 -7.2953 -7.2953 -7.2953 -7.2953 -6.4875 -6.4875 -6.4875 -6.4875 -6.3444 -6.3444 -6.3444 -6.3444 -3.7947 -3.7947 -3.7947 -3.7947 3.1668 3.1668 3.1668 3.1668 4.2251 4.2251 4.2251 4.2251 4.3538 4.3538 4.3538 4.3538 7.3473 7.3473 7.3473 7.3473 7.7665 7.7665 7.7665 7.7665 7.9744 7.9744 k = 0.0000 0.5000 0.1459 ( 7464 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3243 -16.3243 -16.3243 -16.3243 -7.2955 -7.2955 -7.2955 -7.2955 -6.4879 -6.4879 -6.4879 -6.4879 -6.3442 -6.3442 -6.3442 -6.3442 -3.7927 -3.7927 -3.7927 -3.7927 3.1491 3.1491 3.1491 3.1491 4.2268 4.2268 4.2268 4.2268 4.3580 4.3580 4.3580 4.3580 7.3524 7.3524 7.3524 7.3524 7.7735 7.7735 7.7735 7.7735 7.9922 7.9922 k = 0.0000 0.5000 0.1621 ( 7460 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3243 -16.3243 -16.3243 -16.3243 -7.2956 -7.2956 -7.2956 -7.2956 -6.4884 -6.4884 -6.4884 -6.4884 -6.3440 -6.3440 -6.3440 -6.3440 -3.7907 -3.7907 -3.7907 -3.7907 3.1314 3.1314 3.1314 3.1314 4.2283 4.2283 4.2283 4.2283 4.3621 4.3621 4.3621 4.3621 7.3587 7.3587 7.3587 7.3587 7.7807 7.7807 7.7807 7.7807 8.0093 8.0093 k = 0.0000 0.5000 0.1783 ( 7450 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3243 -16.3243 -16.3243 -16.3243 -7.2958 -7.2958 -7.2958 -7.2958 -6.4889 -6.4889 -6.4889 -6.4889 -6.3439 -6.3439 -6.3439 -6.3439 -3.7886 -3.7886 -3.7886 -3.7886 3.1140 3.1140 3.1140 3.1140 4.2296 4.2296 4.2296 4.2296 4.3661 4.3661 4.3661 4.3661 7.3658 7.3658 7.3658 7.3658 7.7880 7.7880 7.7880 7.7880 8.0254 8.0254 k = 0.0000 0.5000 0.1945 ( 7448 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3242 -16.3242 -16.3242 -16.3242 -7.2960 -7.2960 -7.2960 -7.2960 -6.4893 -6.4893 -6.4893 -6.4893 -6.3437 -6.3437 -6.3437 -6.3437 -3.7866 -3.7866 -3.7866 -3.7866 3.0974 3.0974 3.0974 3.0974 4.2307 4.2307 4.2307 4.2307 4.3698 4.3698 4.3698 4.3698 7.3736 7.3736 7.3736 7.3736 7.7953 7.7953 7.7953 7.7953 8.0403 8.0403 k = 0.0000 0.5000 0.2107 ( 7452 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3242 -16.3242 -16.3242 -16.3242 -7.2962 -7.2962 -7.2962 -7.2962 -6.4897 -6.4897 -6.4897 -6.4897 -6.3435 -6.3435 -6.3435 -6.3435 -3.7847 -3.7847 -3.7847 -3.7847 3.0818 3.0818 3.0818 3.0818 4.2316 4.2316 4.2316 4.2316 4.3733 4.3733 4.3733 4.3733 7.3817 7.3817 7.3817 7.3817 7.8022 7.8022 7.8022 7.8022 8.0538 8.0538 k = 0.0000 0.5000 0.2269 ( 7448 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3242 -16.3242 -16.3242 -16.3242 -7.2963 -7.2963 -7.2963 -7.2963 -6.4901 -6.4901 -6.4901 -6.4901 -6.3434 -6.3434 -6.3434 -6.3434 -3.7830 -3.7830 -3.7830 -3.7830 3.0677 3.0677 3.0677 3.0677 4.2323 4.2323 4.2323 4.2323 4.3763 4.3763 4.3763 4.3763 7.3898 7.3898 7.3898 7.3898 7.8088 7.8088 7.8088 7.8088 8.0656 8.0656 k = 0.0000 0.5000 0.2431 ( 7440 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3242 -16.3242 -16.3242 -16.3242 -7.2965 -7.2965 -7.2965 -7.2965 -6.4905 -6.4905 -6.4905 -6.4905 -6.3433 -6.3433 -6.3433 -6.3433 -3.7814 -3.7814 -3.7814 -3.7814 3.0552 3.0552 3.0552 3.0552 4.2329 4.2329 4.2329 4.2329 4.3789 4.3789 4.3789 4.3789 7.3975 7.3975 7.3975 7.3975 7.8147 7.8147 7.8147 7.8147 8.0757 8.0757 k = 0.0000 0.5000 0.2593 ( 7446 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3242 -16.3242 -16.3242 -16.3242 -7.2966 -7.2966 -7.2966 -7.2966 -6.4908 -6.4908 -6.4908 -6.4908 -6.3432 -6.3432 -6.3432 -6.3432 -3.7800 -3.7800 -3.7800 -3.7800 3.0447 3.0447 3.0447 3.0447 4.2334 4.2334 4.2334 4.2334 4.3811 4.3811 4.3811 4.3811 7.4045 7.4045 7.4045 7.4045 7.8199 7.8199 7.8199 7.8199 8.0840 8.0840 k = 0.0000 0.5000 0.2755 ( 7430 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3242 -16.3242 -16.3242 -16.3242 -7.2967 -7.2967 -7.2967 -7.2967 -6.4910 -6.4910 -6.4910 -6.4910 -6.3431 -6.3431 -6.3431 -6.3431 -3.7790 -3.7790 -3.7790 -3.7790 3.0363 3.0363 3.0363 3.0363 4.2337 4.2337 4.2337 4.2337 4.3828 4.3828 4.3828 4.3828 7.4104 7.4104 7.4104 7.4104 7.8240 7.8240 7.8240 7.8240 8.0905 8.0905 k = 0.0000 0.5000 0.2917 ( 7430 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3242 -16.3242 -16.3242 -16.3242 -7.2967 -7.2967 -7.2967 -7.2967 -6.4912 -6.4912 -6.4912 -6.4912 -6.3430 -6.3430 -6.3430 -6.3430 -3.7782 -3.7782 -3.7782 -3.7782 3.0303 3.0303 3.0303 3.0303 4.2340 4.2340 4.2340 4.2340 4.3840 4.3840 4.3840 4.3840 7.4148 7.4148 7.4148 7.4148 7.8271 7.8271 7.8271 7.8271 8.0951 8.0951 k = 0.0000 0.5000 0.3079 ( 7434 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3242 -16.3242 -16.3242 -16.3242 -7.2968 -7.2968 -7.2968 -7.2968 -6.4913 -6.4913 -6.4913 -6.4913 -6.3430 -6.3430 -6.3430 -6.3430 -3.7777 -3.7777 -3.7777 -3.7777 3.0266 3.0266 3.0266 3.0266 4.2341 4.2341 4.2341 4.2341 4.3847 4.3847 4.3847 4.3847 7.4176 7.4176 7.4176 7.4176 7.8290 7.8290 7.8290 7.8290 8.0979 8.0979 k = 0.0000 0.5000 0.3241 ( 7432 PWs) bands (ev): -35.4196 -35.4196 -35.4196 -35.4196 -22.5518 -22.5518 -22.5518 -22.5518 -16.7181 -16.7181 -16.7181 -16.7181 -16.3571 -16.3571 -16.3571 -16.3571 -16.3242 -16.3242 -16.3242 -16.3242 -7.2968 -7.2968 -7.2968 -7.2968 -6.4913 -6.4913 -6.4913 -6.4913 -6.3430 -6.3430 -6.3430 -6.3430 -3.7775 -3.7775 -3.7775 -3.7775 3.0253 3.0253 3.0253 3.0253 4.2342 4.2342 4.2342 4.2342 4.3850 4.3850 4.3850 4.3850 7.4185 7.4185 7.4185 7.4185 7.8296 7.8296 7.8296 7.8296 8.0988 8.0988 k = 0.5000 0.5000-0.0000 ( 7396 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4007 -16.4007 -16.4007 -16.4007 -16.2698 -16.2698 -16.2698 -16.2698 -7.3050 -7.3050 -7.3050 -7.3050 -6.5004 -6.5004 -6.5004 -6.5004 -6.3437 -6.3437 -6.3437 -6.3437 -3.7385 -3.7385 -3.7385 -3.7385 3.0425 3.0425 3.0425 3.0425 4.2213 4.2213 4.2213 4.2213 4.5192 4.5192 4.5192 4.5192 6.5052 6.5052 6.5052 6.5052 7.4381 7.4381 7.4381 7.4381 8.5362 8.5362 k = 0.5000 0.5000 0.0162 ( 7404 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4008 -16.4008 -16.4008 -16.4008 -16.2698 -16.2698 -16.2698 -16.2698 -7.3050 -7.3050 -7.3050 -7.3050 -6.5004 -6.5004 -6.5004 -6.5004 -6.3437 -6.3437 -6.3437 -6.3437 -3.7384 -3.7384 -3.7384 -3.7384 3.0421 3.0421 3.0421 3.0421 4.2215 4.2215 4.2215 4.2215 4.5167 4.5167 4.5167 4.5167 6.5095 6.5095 6.5095 6.5095 7.4395 7.4395 7.4395 7.4395 8.5363 8.5363 k = 0.5000 0.5000 0.0324 ( 7404 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4008 -16.4008 -16.4008 -16.4008 -16.2698 -16.2698 -16.2698 -16.2698 -7.3050 -7.3050 -7.3050 -7.3050 -6.5004 -6.5004 -6.5004 -6.5004 -6.3438 -6.3438 -6.3438 -6.3438 -3.7381 -3.7381 -3.7381 -3.7381 3.0410 3.0410 3.0410 3.0410 4.2221 4.2221 4.2221 4.2221 4.5091 4.5091 4.5091 4.5091 6.5223 6.5223 6.5223 6.5223 7.4440 7.4440 7.4440 7.4440 8.5365 8.5365 k = 0.5000 0.5000 0.0486 ( 7412 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4008 -16.4008 -16.4008 -16.4008 -16.2698 -16.2698 -16.2698 -16.2698 -7.3050 -7.3050 -7.3050 -7.3050 -6.5004 -6.5004 -6.5004 -6.5004 -6.3439 -6.3439 -6.3439 -6.3439 -3.7375 -3.7375 -3.7375 -3.7375 3.0393 3.0393 3.0393 3.0393 4.2232 4.2232 4.2232 4.2232 4.4969 4.4969 4.4969 4.4969 6.5432 6.5432 6.5432 6.5432 7.4513 7.4513 7.4513 7.4513 8.5368 8.5368 k = 0.5000 0.5000 0.0648 ( 7396 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4007 -16.4007 -16.4007 -16.4007 -16.2698 -16.2698 -16.2698 -16.2698 -7.3050 -7.3050 -7.3050 -7.3050 -6.5004 -6.5004 -6.5004 -6.5004 -6.3440 -6.3440 -6.3440 -6.3440 -3.7368 -3.7368 -3.7368 -3.7368 3.0368 3.0368 3.0368 3.0368 4.2245 4.2245 4.2245 4.2245 4.4808 4.4808 4.4808 4.4808 6.5714 6.5714 6.5714 6.5714 7.4614 7.4614 7.4614 7.4614 8.5369 8.5369 k = 0.5000 0.5000 0.0810 ( 7396 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4007 -16.4007 -16.4007 -16.4007 -16.2698 -16.2698 -16.2698 -16.2698 -7.3050 -7.3050 -7.3050 -7.3050 -6.5004 -6.5004 -6.5004 -6.5004 -6.3442 -6.3442 -6.3442 -6.3442 -3.7359 -3.7359 -3.7359 -3.7359 3.0339 3.0339 3.0339 3.0339 4.2259 4.2259 4.2259 4.2259 4.4613 4.4613 4.4613 4.4613 6.6060 6.6060 6.6060 6.6060 7.4742 7.4742 7.4742 7.4742 8.5368 8.5368 k = 0.5000 0.5000 0.0972 ( 7400 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4007 -16.4007 -16.4007 -16.4007 -16.2698 -16.2698 -16.2698 -16.2698 -7.3050 -7.3050 -7.3050 -7.3050 -6.5004 -6.5004 -6.5004 -6.5004 -6.3444 -6.3444 -6.3444 -6.3444 -3.7349 -3.7349 -3.7349 -3.7349 3.0304 3.0304 3.0304 3.0304 4.2273 4.2273 4.2273 4.2273 4.4395 4.4395 4.4395 4.4395 6.6460 6.6460 6.6460 6.6460 7.4896 7.4896 7.4896 7.4896 8.5362 8.5362 k = 0.5000 0.5000 0.1134 ( 7404 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4008 -16.4008 -16.4008 -16.4008 -16.2698 -16.2698 -16.2698 -16.2698 -7.3050 -7.3050 -7.3050 -7.3050 -6.5004 -6.5004 -6.5004 -6.5004 -6.3447 -6.3447 -6.3447 -6.3447 -3.7337 -3.7337 -3.7337 -3.7337 3.0265 3.0265 3.0265 3.0265 4.2284 4.2284 4.2284 4.2284 4.4164 4.4164 4.4164 4.4164 6.6903 6.6903 6.6903 6.6903 7.5074 7.5074 7.5074 7.5074 8.5349 8.5349 k = 0.5000 0.5000 0.1297 ( 7404 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4008 -16.4008 -16.4008 -16.4008 -16.2698 -16.2698 -16.2698 -16.2698 -7.3050 -7.3050 -7.3050 -7.3050 -6.5003 -6.5003 -6.5003 -6.5003 -6.3449 -6.3449 -6.3449 -6.3449 -3.7325 -3.7325 -3.7325 -3.7325 3.0223 3.0223 3.0223 3.0223 4.2287 4.2287 4.2287 4.2287 4.3930 4.3930 4.3930 4.3930 6.7377 6.7377 6.7377 6.7377 7.5273 7.5273 7.5273 7.5273 8.5325 8.5325 k = 0.5000 0.5000 0.1459 ( 7416 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7341 -16.7341 -16.7341 -16.7341 -16.4008 -16.4008 -16.4008 -16.4008 -16.2698 -16.2698 -16.2698 -16.2698 -7.3050 -7.3050 -7.3050 -7.3050 -6.5003 -6.5003 -6.5003 -6.5003 -6.3452 -6.3452 -6.3452 -6.3452 -3.7311 -3.7311 -3.7311 -3.7311 3.0179 3.0179 3.0179 3.0179 4.2278 4.2278 4.2278 4.2278 4.3704 4.3704 4.3704 4.3704 6.7871 6.7871 6.7871 6.7871 7.5490 7.5490 7.5490 7.5490 8.5288 8.5288 k = 0.5000 0.5000 0.1621 ( 7388 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4007 -16.4007 -16.4007 -16.4007 -16.2697 -16.2697 -16.2697 -16.2697 -7.3050 -7.3050 -7.3050 -7.3050 -6.5003 -6.5003 -6.5003 -6.5003 -6.3455 -6.3455 -6.3455 -6.3455 -3.7298 -3.7298 -3.7298 -3.7298 3.0135 3.0135 3.0135 3.0135 4.2250 4.2250 4.2250 4.2250 4.3501 4.3501 4.3501 4.3501 6.8371 6.8371 6.8371 6.8371 7.5723 7.5723 7.5723 7.5723 8.5235 8.5235 k = 0.5000 0.5000 0.1783 ( 7384 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4007 -16.4007 -16.4007 -16.4007 -16.2697 -16.2697 -16.2697 -16.2697 -7.3050 -7.3050 -7.3050 -7.3050 -6.5003 -6.5003 -6.5003 -6.5003 -6.3458 -6.3458 -6.3458 -6.3458 -3.7284 -3.7284 -3.7284 -3.7284 3.0091 3.0091 3.0091 3.0091 4.2196 4.2196 4.2196 4.2196 4.3332 4.3332 4.3332 4.3332 6.8868 6.8868 6.8868 6.8868 7.5966 7.5966 7.5966 7.5966 8.5166 8.5166 k = 0.5000 0.5000 0.1945 ( 7376 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4007 -16.4007 -16.4007 -16.4007 -16.2697 -16.2697 -16.2697 -16.2697 -7.3049 -7.3049 -7.3049 -7.3049 -6.5003 -6.5003 -6.5003 -6.5003 -6.3460 -6.3460 -6.3460 -6.3460 -3.7271 -3.7271 -3.7271 -3.7271 3.0049 3.0049 3.0049 3.0049 4.2111 4.2111 4.2111 4.2111 4.3205 4.3205 4.3205 4.3205 6.9349 6.9349 6.9349 6.9349 7.6216 7.6216 7.6216 7.6216 8.5080 8.5080 k = 0.5000 0.5000 0.2107 ( 7400 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7340 -16.7340 -16.7340 -16.7340 -16.4008 -16.4008 -16.4008 -16.4008 -16.2697 -16.2697 -16.2697 -16.2697 -7.3049 -7.3049 -7.3049 -7.3049 -6.5003 -6.5003 -6.5003 -6.5003 -6.3463 -6.3463 -6.3463 -6.3463 -3.7258 -3.7258 -3.7258 -3.7258 3.0008 3.0008 3.0008 3.0008 4.2000 4.2000 4.2000 4.2000 4.3121 4.3121 4.3121 4.3121 6.9804 6.9804 6.9804 6.9804 7.6465 7.6465 7.6465 7.6465 8.4978 8.4978 k = 0.5000 0.5000 0.2269 ( 7416 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7341 -16.7341 -16.7341 -16.7341 -16.4008 -16.4008 -16.4008 -16.4008 -16.2698 -16.2698 -16.2698 -16.2698 -7.3049 -7.3049 -7.3049 -7.3049 -6.5003 -6.5003 -6.5003 -6.5003 -6.3465 -6.3465 -6.3465 -6.3465 -3.7246 -3.7246 -3.7246 -3.7246 2.9972 2.9972 2.9972 2.9972 4.1875 4.1875 4.1875 4.1875 4.3071 4.3071 4.3071 4.3071 7.0222 7.0222 7.0222 7.0222 7.6708 7.6708 7.6708 7.6708 8.4865 8.4865 k = 0.5000 0.5000 0.2431 ( 7432 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7341 -16.7341 -16.7341 -16.7341 -16.4008 -16.4008 -16.4008 -16.4008 -16.2698 -16.2698 -16.2698 -16.2698 -7.3049 -7.3049 -7.3049 -7.3049 -6.5003 -6.5003 -6.5003 -6.5003 -6.3468 -6.3468 -6.3468 -6.3468 -3.7236 -3.7236 -3.7236 -3.7236 2.9939 2.9939 2.9939 2.9939 4.1750 4.1750 4.1750 4.1750 4.3044 4.3044 4.3044 4.3044 7.0594 7.0594 7.0594 7.0594 7.6936 7.6936 7.6936 7.6936 8.4747 8.4747 k = 0.5000 0.5000 0.2593 ( 7432 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7341 -16.7341 -16.7341 -16.7341 -16.4008 -16.4008 -16.4008 -16.4008 -16.2698 -16.2698 -16.2698 -16.2698 -7.3049 -7.3049 -7.3049 -7.3049 -6.5003 -6.5003 -6.5003 -6.5003 -6.3469 -6.3469 -6.3469 -6.3469 -3.7227 -3.7227 -3.7227 -3.7227 2.9911 2.9911 2.9911 2.9911 4.1636 4.1636 4.1636 4.1636 4.3031 4.3031 4.3031 4.3031 7.0912 7.0912 7.0912 7.0912 7.7141 7.7141 7.7141 7.7141 8.4632 8.4632 k = 0.5000 0.5000 0.2755 ( 7456 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7341 -16.7341 -16.7341 -16.7341 -16.4009 -16.4009 -16.4009 -16.4009 -16.2698 -16.2698 -16.2698 -16.2698 -7.3049 -7.3049 -7.3049 -7.3049 -6.5003 -6.5003 -6.5003 -6.5003 -6.3471 -6.3471 -6.3471 -6.3471 -3.7220 -3.7220 -3.7220 -3.7220 2.9889 2.9889 2.9889 2.9889 4.1540 4.1540 4.1540 4.1540 4.3026 4.3026 4.3026 4.3026 7.1167 7.1167 7.1167 7.1167 7.7314 7.7314 7.7314 7.7314 8.4529 8.4529 k = 0.5000 0.5000 0.2917 ( 7432 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7341 -16.7341 -16.7341 -16.7341 -16.4008 -16.4008 -16.4008 -16.4008 -16.2698 -16.2698 -16.2698 -16.2698 -7.3049 -7.3049 -7.3049 -7.3049 -6.5003 -6.5003 -6.5003 -6.5003 -6.3472 -6.3472 -6.3472 -6.3472 -3.7215 -3.7215 -3.7215 -3.7215 2.9873 2.9873 2.9873 2.9873 4.1468 4.1468 4.1468 4.1468 4.3024 4.3024 4.3024 4.3024 7.1354 7.1354 7.1354 7.1354 7.7445 7.7445 7.7445 7.7445 8.4446 8.4446 k = 0.5000 0.5000 0.3079 ( 7424 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7341 -16.7341 -16.7341 -16.7341 -16.4008 -16.4008 -16.4008 -16.4008 -16.2698 -16.2698 -16.2698 -16.2698 -7.3049 -7.3049 -7.3049 -7.3049 -6.5003 -6.5003 -6.5003 -6.5003 -6.3473 -6.3473 -6.3473 -6.3473 -3.7211 -3.7211 -3.7211 -3.7211 2.9863 2.9863 2.9863 2.9863 4.1424 4.1424 4.1424 4.1424 4.3024 4.3024 4.3024 4.3024 7.1469 7.1469 7.1469 7.1469 7.7528 7.7528 7.7528 7.7528 8.4393 8.4393 k = 0.5000 0.5000 0.3241 ( 7400 PWs) bands (ev): -35.4194 -35.4194 -35.4194 -35.4194 -22.5507 -22.5507 -22.5507 -22.5507 -16.7341 -16.7341 -16.7341 -16.7341 -16.4008 -16.4008 -16.4008 -16.4008 -16.2697 -16.2697 -16.2697 -16.2697 -7.3049 -7.3049 -7.3049 -7.3049 -6.5003 -6.5003 -6.5003 -6.5003 -6.3473 -6.3473 -6.3473 -6.3473 -3.7210 -3.7210 -3.7210 -3.7210 2.9860 2.9860 2.9860 2.9860 4.1409 4.1409 4.1409 4.1409 4.3024 4.3024 4.3024 4.3024 7.1507 7.1507 7.1507 7.1507 7.7556 7.7556 7.7556 7.7556 8.4375 8.4375 Writing output data file RbCaAs.save init_run : 0.44s CPU 0.64s WALL ( 1 calls) electrons : 340.68s CPU 344.55s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 340.67s CPU 344.54s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.11s WALL ( 281 calls) cegterg : 322.19s CPU 325.36s WALL ( 815 calls) Called by sum_band: Called by *egterg: h_psi : 164.38s CPU 166.09s WALL ( 14768 calls) s_psi : 11.56s CPU 11.44s WALL ( 14768 calls) g_psi : 0.59s CPU 0.64s WALL ( 13672 calls) cdiaghg : 112.07s CPU 113.80s WALL ( 13953 calls) cegterg:over : 15.83s CPU 16.17s WALL ( 13672 calls) cegterg:upda : 18.41s CPU 17.99s WALL ( 13672 calls) cegterg:last : 7.43s CPU 7.26s WALL ( 1687 calls) cdiaghg:chol : 6.33s CPU 6.58s WALL ( 13953 calls) cdiaghg:inve : 4.68s CPU 4.46s WALL ( 13953 calls) cdiaghg:para : 6.84s CPU 7.02s WALL ( 27906 calls) Called by h_psi: h_psi:vloc : 137.95s CPU 139.48s WALL ( 14768 calls) h_psi:vnl : 25.78s CPU 25.93s WALL ( 14768 calls) add_vuspsi : 13.06s CPU 13.10s WALL ( 14768 calls) General routines calbec : 12.68s CPU 12.79s WALL ( 14768 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 127.90s CPU 129.82s WALL ( 1170868 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.32s WALL ( 562 calls) Parallel routines fft_scatter : 43.61s CPU 44.77s WALL ( 1170891 calls) PWSCF : 6m 2.54s CPU 6m23.75s WALL This run was terminated on: 19:42:14 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=