Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:11:16 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./Zr3Cd2.save/ file Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 196 56 16 15622 2400 366 Max 197 57 17 15626 2427 369 Sum 6279 1811 519 499977 77243 11745 bravais-lattice index = 14 lattice parameter (alat) = 10.0155 a.u. unit-cell volume = 1832.9158 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.015548 celldm(2)= 1.230189 celldm(3)= 1.483019 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 1.230189 0.000000 ) a(3) = ( 0.000000 0.000000 1.483019 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.812883 -0.000000 ) b(3) = ( 0.000000 0.000000 0.674300 ) PseudoPot. # 1 for Zr read from file: /home/autes/Pseudo/Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8b6e13b1b49db219b5566974d4b37ab4 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Zr 12.00 91.22400 Zr( 1.00) Cd 12.00 112.41100 Cd( 1.00) 8 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 4 -4 i 5 s_v -s_v 6 -6 s_v'-s_v' 7 -7 s_v''-s_v' 8 -8 -E -1 -i -5 Cartesian axes number of k points= 312 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0166667 -0.0000000 -0.0000000), wk = 0.0032051 k( 3) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0032051 k( 4) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0032051 k( 5) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0032051 k( 6) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0032051 k( 7) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 8) = ( 0.1166667 -0.0000000 -0.0000000), wk = 0.0032051 k( 9) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0032051 k( 10) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0032051 k( 11) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0032051 k( 12) = ( 0.1833333 -0.0000000 -0.0000000), wk = 0.0032051 k( 13) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 14) = ( 0.2166667 -0.0000000 -0.0000000), wk = 0.0032051 k( 15) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0032051 k( 16) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0032051 k( 17) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0032051 k( 18) = ( 0.2833333 -0.0000000 -0.0000000), wk = 0.0032051 k( 19) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 20) = ( 0.3166667 -0.0000000 -0.0000000), wk = 0.0032051 k( 21) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0032051 k( 22) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0032051 k( 23) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0032051 k( 24) = ( 0.3833333 -0.0000000 -0.0000000), wk = 0.0032051 k( 25) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 26) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0032051 k( 27) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0032051 k( 28) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0032051 k( 29) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0032051 k( 30) = ( 0.4833333 -0.0000000 -0.0000000), wk = 0.0032051 k( 31) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 32) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 33) = ( 0.5000000 0.0162577 -0.0000000), wk = 0.0032051 k( 34) = ( 0.5000000 0.0325153 -0.0000000), wk = 0.0032051 k( 35) = ( 0.5000000 0.0487730 -0.0000000), wk = 0.0032051 k( 36) = ( 0.5000000 0.0650307 -0.0000000), wk = 0.0032051 k( 37) = ( 0.5000000 0.0812883 -0.0000000), wk = 0.0032051 k( 38) = ( 0.5000000 0.0975460 -0.0000000), wk = 0.0032051 k( 39) = ( 0.5000000 0.1138037 -0.0000000), wk = 0.0032051 k( 40) = ( 0.5000000 0.1300613 -0.0000000), wk = 0.0032051 k( 41) = ( 0.5000000 0.1463190 -0.0000000), wk = 0.0032051 k( 42) = ( 0.5000000 0.1625767 -0.0000000), wk = 0.0032051 k( 43) = ( 0.5000000 0.1788344 -0.0000000), wk = 0.0032051 k( 44) = ( 0.5000000 0.1950920 -0.0000000), wk = 0.0032051 k( 45) = ( 0.5000000 0.2113497 -0.0000000), wk = 0.0032051 k( 46) = ( 0.5000000 0.2276074 -0.0000000), wk = 0.0032051 k( 47) = ( 0.5000000 0.2438650 -0.0000000), wk = 0.0032051 k( 48) = ( 0.5000000 0.2601227 -0.0000000), wk = 0.0032051 k( 49) = ( 0.5000000 0.2763804 -0.0000000), wk = 0.0032051 k( 50) = ( 0.5000000 0.2926380 -0.0000000), wk = 0.0032051 k( 51) = ( 0.5000000 0.3088957 -0.0000000), wk = 0.0032051 k( 52) = ( 0.5000000 0.3251534 -0.0000000), wk = 0.0032051 k( 53) = ( 0.5000000 0.3414110 -0.0000000), wk = 0.0032051 k( 54) = ( 0.5000000 0.3576687 -0.0000000), wk = 0.0032051 k( 55) = ( 0.5000000 0.3739264 -0.0000000), wk = 0.0032051 k( 56) = ( 0.5000000 0.3901840 -0.0000000), wk = 0.0032051 k( 57) = ( 0.5000000 0.4064417 -0.0000000), wk = 0.0032051 k( 58) = ( 0.5000000 0.4064417 -0.0000000), wk = 0.0032051 k( 59) = ( 0.4833333 0.4064417 -0.0000000), wk = 0.0032051 k( 60) = ( 0.4666667 0.4064417 -0.0000000), wk = 0.0032051 k( 61) = ( 0.4500000 0.4064417 -0.0000000), wk = 0.0032051 k( 62) = ( 0.4333333 0.4064417 -0.0000000), wk = 0.0032051 k( 63) = ( 0.4166667 0.4064417 -0.0000000), wk = 0.0032051 k( 64) = ( 0.4000000 0.4064417 -0.0000000), wk = 0.0032051 k( 65) = ( 0.3833333 0.4064417 -0.0000000), wk = 0.0032051 k( 66) = ( 0.3666667 0.4064417 -0.0000000), wk = 0.0032051 k( 67) = ( 0.3500000 0.4064417 -0.0000000), wk = 0.0032051 k( 68) = ( 0.3333333 0.4064417 -0.0000000), wk = 0.0032051 k( 69) = ( 0.3166667 0.4064417 -0.0000000), wk = 0.0032051 k( 70) = ( 0.3000000 0.4064417 -0.0000000), wk = 0.0032051 k( 71) = ( 0.2833333 0.4064417 -0.0000000), wk = 0.0032051 k( 72) = ( 0.2666667 0.4064417 -0.0000000), wk = 0.0032051 k( 73) = ( 0.2500000 0.4064417 -0.0000000), wk = 0.0032051 k( 74) = ( 0.2333333 0.4064417 -0.0000000), wk = 0.0032051 k( 75) = ( 0.2166667 0.4064417 -0.0000000), wk = 0.0032051 k( 76) = ( 0.2000000 0.4064417 -0.0000000), wk = 0.0032051 k( 77) = ( 0.1833333 0.4064417 -0.0000000), wk = 0.0032051 k( 78) = ( 0.1666667 0.4064417 -0.0000000), wk = 0.0032051 k( 79) = ( 0.1500000 0.4064417 -0.0000000), wk = 0.0032051 k( 80) = ( 0.1333333 0.4064417 -0.0000000), wk = 0.0032051 k( 81) = ( 0.1166667 0.4064417 -0.0000000), wk = 0.0032051 k( 82) = ( 0.1000000 0.4064417 -0.0000000), wk = 0.0032051 k( 83) = ( 0.0833333 0.4064417 -0.0000000), wk = 0.0032051 k( 84) = ( 0.0666667 0.4064417 -0.0000000), wk = 0.0032051 k( 85) = ( 0.0500000 0.4064417 -0.0000000), wk = 0.0032051 k( 86) = ( 0.0333333 0.4064417 -0.0000000), wk = 0.0032051 k( 87) = ( 0.0166667 0.4064417 -0.0000000), wk = 0.0032051 k( 88) = ( 0.0000000 0.4064417 -0.0000000), wk = 0.0032051 k( 89) = ( 0.0000000 0.4064417 -0.0000000), wk = 0.0032051 k( 90) = ( 0.0000000 0.3901840 -0.0000000), wk = 0.0032051 k( 91) = ( 0.0000000 0.3739264 -0.0000000), wk = 0.0032051 k( 92) = ( 0.0000000 0.3576687 -0.0000000), wk = 0.0032051 k( 93) = ( 0.0000000 0.3414110 -0.0000000), wk = 0.0032051 k( 94) = ( 0.0000000 0.3251534 -0.0000000), wk = 0.0032051 k( 95) = ( 0.0000000 0.3088957 -0.0000000), wk = 0.0032051 k( 96) = ( 0.0000000 0.2926380 -0.0000000), wk = 0.0032051 k( 97) = ( 0.0000000 0.2763804 -0.0000000), wk = 0.0032051 k( 98) = ( 0.0000000 0.2601227 -0.0000000), wk = 0.0032051 k( 99) = ( 0.0000000 0.2438650 -0.0000000), wk = 0.0032051 k( 100) = ( 0.0000000 0.2276074 -0.0000000), wk = 0.0032051 k( 101) = ( 0.0000000 0.2113497 -0.0000000), wk = 0.0032051 k( 102) = ( 0.0000000 0.1950920 -0.0000000), wk = 0.0032051 k( 103) = ( 0.0000000 0.1788344 -0.0000000), wk = 0.0032051 k( 104) = ( 0.0000000 0.1625767 -0.0000000), wk = 0.0032051 k( 105) = ( 0.0000000 0.1463190 -0.0000000), wk = 0.0032051 k( 106) = ( 0.0000000 0.1300613 -0.0000000), wk = 0.0032051 k( 107) = ( 0.0000000 0.1138037 -0.0000000), wk = 0.0032051 k( 108) = ( 0.0000000 0.0975460 -0.0000000), wk = 0.0032051 k( 109) = ( 0.0000000 0.0812883 -0.0000000), wk = 0.0032051 k( 110) = ( 0.0000000 0.0650307 -0.0000000), wk = 0.0032051 k( 111) = ( 0.0000000 0.0487730 -0.0000000), wk = 0.0032051 k( 112) = ( 0.0000000 0.0325153 -0.0000000), wk = 0.0032051 k( 113) = ( 0.0000000 0.0162577 -0.0000000), wk = 0.0032051 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 116) = ( 0.0000000 0.0000000 0.0168575), wk = 0.0032051 k( 117) = ( 0.0000000 0.0000000 0.0337150), wk = 0.0032051 k( 118) = ( 0.0000000 0.0000000 0.0505725), wk = 0.0032051 k( 119) = ( 0.0000000 0.0000000 0.0674300), wk = 0.0032051 k( 120) = ( 0.0000000 0.0000000 0.0842875), wk = 0.0032051 k( 121) = ( 0.0000000 0.0000000 0.1011450), wk = 0.0032051 k( 122) = ( 0.0000000 0.0000000 0.1180025), wk = 0.0032051 k( 123) = ( 0.0000000 0.0000000 0.1348601), wk = 0.0032051 k( 124) = ( 0.0000000 0.0000000 0.1517176), wk = 0.0032051 k( 125) = ( 0.0000000 0.0000000 0.1685751), wk = 0.0032051 k( 126) = ( 0.0000000 0.0000000 0.1854326), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.2022901), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.2191476), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.2360051), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.2528626), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.2697201), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.2865776), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.3034351), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.3202926), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.3371501), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.3371501), wk = 0.0032051 k( 137) = ( 0.0166667 -0.0000000 0.3371501), wk = 0.0032051 k( 138) = ( 0.0333333 -0.0000000 0.3371501), wk = 0.0032051 k( 139) = ( 0.0500000 -0.0000000 0.3371501), wk = 0.0032051 k( 140) = ( 0.0666667 -0.0000000 0.3371501), wk = 0.0032051 k( 141) = ( 0.0833333 -0.0000000 0.3371501), wk = 0.0032051 k( 142) = ( 0.1000000 -0.0000000 0.3371501), wk = 0.0032051 k( 143) = ( 0.1166667 -0.0000000 0.3371501), wk = 0.0032051 k( 144) = ( 0.1333333 -0.0000000 0.3371501), wk = 0.0032051 k( 145) = ( 0.1500000 -0.0000000 0.3371501), wk = 0.0032051 k( 146) = ( 0.1666667 -0.0000000 0.3371501), wk = 0.0032051 k( 147) = ( 0.1833333 -0.0000000 0.3371501), wk = 0.0032051 k( 148) = ( 0.2000000 -0.0000000 0.3371501), wk = 0.0032051 k( 149) = ( 0.2166667 -0.0000000 0.3371501), wk = 0.0032051 k( 150) = ( 0.2333333 -0.0000000 0.3371501), wk = 0.0032051 k( 151) = ( 0.2500000 -0.0000000 0.3371501), wk = 0.0032051 k( 152) = ( 0.2666667 -0.0000000 0.3371501), wk = 0.0032051 k( 153) = ( 0.2833333 -0.0000000 0.3371501), wk = 0.0032051 k( 154) = ( 0.3000000 -0.0000000 0.3371501), wk = 0.0032051 k( 155) = ( 0.3166667 -0.0000000 0.3371501), wk = 0.0032051 k( 156) = ( 0.3333333 -0.0000000 0.3371501), wk = 0.0032051 k( 157) = ( 0.3500000 -0.0000000 0.3371501), wk = 0.0032051 k( 158) = ( 0.3666667 -0.0000000 0.3371501), wk = 0.0032051 k( 159) = ( 0.3833333 -0.0000000 0.3371501), wk = 0.0032051 k( 160) = ( 0.4000000 -0.0000000 0.3371501), wk = 0.0032051 k( 161) = ( 0.4166667 -0.0000000 0.3371501), wk = 0.0032051 k( 162) = ( 0.4333333 -0.0000000 0.3371501), wk = 0.0032051 k( 163) = ( 0.4500000 -0.0000000 0.3371501), wk = 0.0032051 k( 164) = ( 0.4666667 -0.0000000 0.3371501), wk = 0.0032051 k( 165) = ( 0.4833333 -0.0000000 0.3371501), wk = 0.0032051 k( 166) = ( 0.5000000 -0.0000000 0.3371501), wk = 0.0032051 k( 167) = ( 0.5000000 -0.0000000 0.3371501), wk = 0.0032051 k( 168) = ( 0.5000000 0.0162577 0.3371501), wk = 0.0032051 k( 169) = ( 0.5000000 0.0325153 0.3371501), wk = 0.0032051 k( 170) = ( 0.5000000 0.0487730 0.3371501), wk = 0.0032051 k( 171) = ( 0.5000000 0.0650307 0.3371501), wk = 0.0032051 k( 172) = ( 0.5000000 0.0812883 0.3371501), wk = 0.0032051 k( 173) = ( 0.5000000 0.0975460 0.3371501), wk = 0.0032051 k( 174) = ( 0.5000000 0.1138037 0.3371501), wk = 0.0032051 k( 175) = ( 0.5000000 0.1300613 0.3371501), wk = 0.0032051 k( 176) = ( 0.5000000 0.1463190 0.3371501), wk = 0.0032051 k( 177) = ( 0.5000000 0.1625767 0.3371501), wk = 0.0032051 k( 178) = ( 0.5000000 0.1788344 0.3371501), wk = 0.0032051 k( 179) = ( 0.5000000 0.1950920 0.3371501), wk = 0.0032051 k( 180) = ( 0.5000000 0.2113497 0.3371501), wk = 0.0032051 k( 181) = ( 0.5000000 0.2276074 0.3371501), wk = 0.0032051 k( 182) = ( 0.5000000 0.2438650 0.3371501), wk = 0.0032051 k( 183) = ( 0.5000000 0.2601227 0.3371501), wk = 0.0032051 k( 184) = ( 0.5000000 0.2763804 0.3371501), wk = 0.0032051 k( 185) = ( 0.5000000 0.2926380 0.3371501), wk = 0.0032051 k( 186) = ( 0.5000000 0.3088957 0.3371501), wk = 0.0032051 k( 187) = ( 0.5000000 0.3251534 0.3371501), wk = 0.0032051 k( 188) = ( 0.5000000 0.3414110 0.3371501), wk = 0.0032051 k( 189) = ( 0.5000000 0.3576687 0.3371501), wk = 0.0032051 k( 190) = ( 0.5000000 0.3739264 0.3371501), wk = 0.0032051 k( 191) = ( 0.5000000 0.3901840 0.3371501), wk = 0.0032051 k( 192) = ( 0.5000000 0.4064417 0.3371501), wk = 0.0032051 k( 193) = ( 0.5000000 0.4064417 0.3371501), wk = 0.0032051 k( 194) = ( 0.4833333 0.4064417 0.3371501), wk = 0.0032051 k( 195) = ( 0.4666667 0.4064417 0.3371501), wk = 0.0032051 k( 196) = ( 0.4500000 0.4064417 0.3371501), wk = 0.0032051 k( 197) = ( 0.4333333 0.4064417 0.3371501), wk = 0.0032051 k( 198) = ( 0.4166667 0.4064417 0.3371501), wk = 0.0032051 k( 199) = ( 0.4000000 0.4064417 0.3371501), wk = 0.0032051 k( 200) = ( 0.3833333 0.4064417 0.3371501), wk = 0.0032051 k( 201) = ( 0.3666667 0.4064417 0.3371501), wk = 0.0032051 k( 202) = ( 0.3500000 0.4064417 0.3371501), wk = 0.0032051 k( 203) = ( 0.3333333 0.4064417 0.3371501), wk = 0.0032051 k( 204) = ( 0.3166667 0.4064417 0.3371501), wk = 0.0032051 k( 205) = ( 0.3000000 0.4064417 0.3371501), wk = 0.0032051 k( 206) = ( 0.2833333 0.4064417 0.3371501), wk = 0.0032051 k( 207) = ( 0.2666667 0.4064417 0.3371501), wk = 0.0032051 k( 208) = ( 0.2500000 0.4064417 0.3371501), wk = 0.0032051 k( 209) = ( 0.2333333 0.4064417 0.3371501), wk = 0.0032051 k( 210) = ( 0.2166667 0.4064417 0.3371501), wk = 0.0032051 k( 211) = ( 0.2000000 0.4064417 0.3371501), wk = 0.0032051 k( 212) = ( 0.1833333 0.4064417 0.3371501), wk = 0.0032051 k( 213) = ( 0.1666667 0.4064417 0.3371501), wk = 0.0032051 k( 214) = ( 0.1500000 0.4064417 0.3371501), wk = 0.0032051 k( 215) = ( 0.1333333 0.4064417 0.3371501), wk = 0.0032051 k( 216) = ( 0.1166667 0.4064417 0.3371501), wk = 0.0032051 k( 217) = ( 0.1000000 0.4064417 0.3371501), wk = 0.0032051 k( 218) = ( 0.0833333 0.4064417 0.3371501), wk = 0.0032051 k( 219) = ( 0.0666667 0.4064417 0.3371501), wk = 0.0032051 k( 220) = ( 0.0500000 0.4064417 0.3371501), wk = 0.0032051 k( 221) = ( 0.0333333 0.4064417 0.3371501), wk = 0.0032051 k( 222) = ( 0.0166667 0.4064417 0.3371501), wk = 0.0032051 k( 223) = ( 0.0000000 0.4064417 0.3371501), wk = 0.0032051 k( 224) = ( 0.0000000 0.4064417 0.3371501), wk = 0.0032051 k( 225) = ( 0.0000000 0.3901840 0.3371501), wk = 0.0032051 k( 226) = ( 0.0000000 0.3739264 0.3371501), wk = 0.0032051 k( 227) = ( 0.0000000 0.3576687 0.3371501), wk = 0.0032051 k( 228) = ( 0.0000000 0.3414110 0.3371501), wk = 0.0032051 k( 229) = ( 0.0000000 0.3251534 0.3371501), wk = 0.0032051 k( 230) = ( 0.0000000 0.3088957 0.3371501), wk = 0.0032051 k( 231) = ( 0.0000000 0.2926380 0.3371501), wk = 0.0032051 k( 232) = ( 0.0000000 0.2763804 0.3371501), wk = 0.0032051 k( 233) = ( 0.0000000 0.2601227 0.3371501), wk = 0.0032051 k( 234) = ( 0.0000000 0.2438650 0.3371501), wk = 0.0032051 k( 235) = ( 0.0000000 0.2276074 0.3371501), wk = 0.0032051 k( 236) = ( 0.0000000 0.2113497 0.3371501), wk = 0.0032051 k( 237) = ( 0.0000000 0.1950920 0.3371501), wk = 0.0032051 k( 238) = ( 0.0000000 0.1788344 0.3371501), wk = 0.0032051 k( 239) = ( 0.0000000 0.1625767 0.3371501), wk = 0.0032051 k( 240) = ( 0.0000000 0.1463190 0.3371501), wk = 0.0032051 k( 241) = ( 0.0000000 0.1300613 0.3371501), wk = 0.0032051 k( 242) = ( 0.0000000 0.1138037 0.3371501), wk = 0.0032051 k( 243) = ( 0.0000000 0.0975460 0.3371501), wk = 0.0032051 k( 244) = ( 0.0000000 0.0812883 0.3371501), wk = 0.0032051 k( 245) = ( 0.0000000 0.0650307 0.3371501), wk = 0.0032051 k( 246) = ( 0.0000000 0.0487730 0.3371501), wk = 0.0032051 k( 247) = ( 0.0000000 0.0325153 0.3371501), wk = 0.0032051 k( 248) = ( 0.0000000 0.0162577 0.3371501), wk = 0.0032051 k( 249) = ( 0.0000000 0.0000000 0.3371501), wk = 0.0032051 k( 250) = ( 0.0000000 0.4064417 -0.0000000), wk = 0.0032051 k( 251) = ( 0.0000000 0.4064417 0.0168575), wk = 0.0032051 k( 252) = ( 0.0000000 0.4064417 0.0337150), wk = 0.0032051 k( 253) = ( 0.0000000 0.4064417 0.0505725), wk = 0.0032051 k( 254) = ( 0.0000000 0.4064417 0.0674300), wk = 0.0032051 k( 255) = ( 0.0000000 0.4064417 0.0842875), wk = 0.0032051 k( 256) = ( 0.0000000 0.4064417 0.1011450), wk = 0.0032051 k( 257) = ( 0.0000000 0.4064417 0.1180025), wk = 0.0032051 k( 258) = ( 0.0000000 0.4064417 0.1348601), wk = 0.0032051 k( 259) = ( 0.0000000 0.4064417 0.1517176), wk = 0.0032051 k( 260) = ( 0.0000000 0.4064417 0.1685751), wk = 0.0032051 k( 261) = ( 0.0000000 0.4064417 0.1854326), wk = 0.0032051 k( 262) = ( 0.0000000 0.4064417 0.2022901), wk = 0.0032051 k( 263) = ( 0.0000000 0.4064417 0.2191476), wk = 0.0032051 k( 264) = ( 0.0000000 0.4064417 0.2360051), wk = 0.0032051 k( 265) = ( 0.0000000 0.4064417 0.2528626), wk = 0.0032051 k( 266) = ( 0.0000000 0.4064417 0.2697201), wk = 0.0032051 k( 267) = ( 0.0000000 0.4064417 0.2865776), wk = 0.0032051 k( 268) = ( 0.0000000 0.4064417 0.3034351), wk = 0.0032051 k( 269) = ( 0.0000000 0.4064417 0.3202926), wk = 0.0032051 k( 270) = ( 0.0000000 0.4064417 0.3371501), wk = 0.0032051 k( 271) = ( 0.5000000 -0.0000000 0.3371501), wk = 0.0032051 k( 272) = ( 0.5000000 -0.0000000 0.3202926), wk = 0.0032051 k( 273) = ( 0.5000000 -0.0000000 0.3034351), wk = 0.0032051 k( 274) = ( 0.5000000 -0.0000000 0.2865776), wk = 0.0032051 k( 275) = ( 0.5000000 -0.0000000 0.2697201), wk = 0.0032051 k( 276) = ( 0.5000000 -0.0000000 0.2528626), wk = 0.0032051 k( 277) = ( 0.5000000 -0.0000000 0.2360051), wk = 0.0032051 k( 278) = ( 0.5000000 -0.0000000 0.2191476), wk = 0.0032051 k( 279) = ( 0.5000000 -0.0000000 0.2022901), wk = 0.0032051 k( 280) = ( 0.5000000 -0.0000000 0.1854326), wk = 0.0032051 k( 281) = ( 0.5000000 -0.0000000 0.1685751), wk = 0.0032051 k( 282) = ( 0.5000000 -0.0000000 0.1517176), wk = 0.0032051 k( 283) = ( 0.5000000 -0.0000000 0.1348601), wk = 0.0032051 k( 284) = ( 0.5000000 -0.0000000 0.1180025), wk = 0.0032051 k( 285) = ( 0.5000000 -0.0000000 0.1011450), wk = 0.0032051 k( 286) = ( 0.5000000 -0.0000000 0.0842875), wk = 0.0032051 k( 287) = ( 0.5000000 -0.0000000 0.0674300), wk = 0.0032051 k( 288) = ( 0.5000000 -0.0000000 0.0505725), wk = 0.0032051 k( 289) = ( 0.5000000 -0.0000000 0.0337150), wk = 0.0032051 k( 290) = ( 0.5000000 -0.0000000 0.0168575), wk = 0.0032051 k( 291) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 292) = ( 0.5000000 0.4064417 -0.0000000), wk = 0.0032051 k( 293) = ( 0.5000000 0.4064417 0.0168575), wk = 0.0032051 k( 294) = ( 0.5000000 0.4064417 0.0337150), wk = 0.0032051 k( 295) = ( 0.5000000 0.4064417 0.0505725), wk = 0.0032051 k( 296) = ( 0.5000000 0.4064417 0.0674300), wk = 0.0032051 k( 297) = ( 0.5000000 0.4064417 0.0842875), wk = 0.0032051 k( 298) = ( 0.5000000 0.4064417 0.1011450), wk = 0.0032051 k( 299) = ( 0.5000000 0.4064417 0.1180025), wk = 0.0032051 k( 300) = ( 0.5000000 0.4064417 0.1348601), wk = 0.0032051 k( 301) = ( 0.5000000 0.4064417 0.1517176), wk = 0.0032051 k( 302) = ( 0.5000000 0.4064417 0.1685751), wk = 0.0032051 k( 303) = ( 0.5000000 0.4064417 0.1854326), wk = 0.0032051 k( 304) = ( 0.5000000 0.4064417 0.2022901), wk = 0.0032051 k( 305) = ( 0.5000000 0.4064417 0.2191476), wk = 0.0032051 k( 306) = ( 0.5000000 0.4064417 0.2360051), wk = 0.0032051 k( 307) = ( 0.5000000 0.4064417 0.2528626), wk = 0.0032051 k( 308) = ( 0.5000000 0.4064417 0.2697201), wk = 0.0032051 k( 309) = ( 0.5000000 0.4064417 0.2865776), wk = 0.0032051 k( 310) = ( 0.5000000 0.4064417 0.3034351), wk = 0.0032051 k( 311) = ( 0.5000000 0.4064417 0.3202926), wk = 0.0032051 k( 312) = ( 0.5000000 0.4064417 0.3371501), wk = 0.0032051 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0166667 0.0000000 0.0000000), wk = 0.0032051 k( 3) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0032051 k( 4) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0032051 k( 5) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0032051 k( 6) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0032051 k( 7) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0032051 k( 8) = ( 0.1166667 -0.0000000 0.0000000), wk = 0.0032051 k( 9) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0032051 k( 10) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0032051 k( 11) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0032051 k( 12) = ( 0.1833333 0.0000000 0.0000000), wk = 0.0032051 k( 13) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0032051 k( 14) = ( 0.2166667 -0.0000000 -0.0000000), wk = 0.0032051 k( 15) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0032051 k( 16) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0032051 k( 17) = ( 0.2666667 -0.0000000 0.0000000), wk = 0.0032051 k( 18) = ( 0.2833333 0.0000000 0.0000000), wk = 0.0032051 k( 19) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0032051 k( 20) = ( 0.3166667 0.0000000 0.0000000), wk = 0.0032051 k( 21) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0032051 k( 22) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0032051 k( 23) = ( 0.3666667 -0.0000000 0.0000000), wk = 0.0032051 k( 24) = ( 0.3833333 0.0000000 0.0000000), wk = 0.0032051 k( 25) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0032051 k( 26) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0032051 k( 27) = ( 0.4333333 -0.0000000 0.0000000), wk = 0.0032051 k( 28) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0032051 k( 29) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0032051 k( 30) = ( 0.4833333 0.0000000 -0.0000000), wk = 0.0032051 k( 31) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 32) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 33) = ( 0.5000000 0.0200000 0.0000000), wk = 0.0032051 k( 34) = ( 0.5000000 0.0400000 0.0000000), wk = 0.0032051 k( 35) = ( 0.5000000 0.0600000 0.0000000), wk = 0.0032051 k( 36) = ( 0.5000000 0.0800000 0.0000000), wk = 0.0032051 k( 37) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0032051 k( 38) = ( 0.5000000 0.1200000 0.0000000), wk = 0.0032051 k( 39) = ( 0.5000000 0.1400000 0.0000000), wk = 0.0032051 k( 40) = ( 0.5000000 0.1600000 0.0000000), wk = 0.0032051 k( 41) = ( 0.5000000 0.1800000 0.0000000), wk = 0.0032051 k( 42) = ( 0.5000000 0.2000000 0.0000000), wk = 0.0032051 k( 43) = ( 0.5000000 0.2200000 0.0000000), wk = 0.0032051 k( 44) = ( 0.5000000 0.2400000 0.0000000), wk = 0.0032051 k( 45) = ( 0.5000000 0.2600000 -0.0000000), wk = 0.0032051 k( 46) = ( 0.5000000 0.2800000 0.0000000), wk = 0.0032051 k( 47) = ( 0.5000000 0.3000000 0.0000000), wk = 0.0032051 k( 48) = ( 0.5000000 0.3200000 0.0000000), wk = 0.0032051 k( 49) = ( 0.5000000 0.3400000 -0.0000000), wk = 0.0032051 k( 50) = ( 0.5000000 0.3600000 0.0000000), wk = 0.0032051 k( 51) = ( 0.5000000 0.3800000 0.0000000), wk = 0.0032051 k( 52) = ( 0.5000000 0.4000000 0.0000000), wk = 0.0032051 k( 53) = ( 0.5000000 0.4200000 0.0000000), wk = 0.0032051 k( 54) = ( 0.5000000 0.4400000 0.0000000), wk = 0.0032051 k( 55) = ( 0.5000000 0.4600000 0.0000000), wk = 0.0032051 k( 56) = ( 0.5000000 0.4800000 0.0000000), wk = 0.0032051 k( 57) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032051 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032051 k( 59) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0032051 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0032051 k( 61) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032051 k( 62) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0032051 k( 63) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0032051 k( 64) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032051 k( 65) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0032051 k( 66) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0032051 k( 67) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032051 k( 68) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0032051 k( 69) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0032051 k( 70) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0032051 k( 71) = ( 0.2833333 0.5000000 0.0000000), wk = 0.0032051 k( 72) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0032051 k( 73) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032051 k( 74) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0032051 k( 75) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0032051 k( 76) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032051 k( 77) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0032051 k( 78) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0032051 k( 79) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032051 k( 80) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0032051 k( 81) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0032051 k( 82) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032051 k( 83) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0032051 k( 84) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0032051 k( 85) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032051 k( 86) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0032051 k( 87) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0032051 k( 88) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032051 k( 89) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032051 k( 90) = ( 0.0000000 0.4800000 0.0000000), wk = 0.0032051 k( 91) = ( 0.0000000 0.4600000 0.0000000), wk = 0.0032051 k( 92) = ( 0.0000000 0.4400000 0.0000000), wk = 0.0032051 k( 93) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0032051 k( 94) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032051 k( 95) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0032051 k( 96) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0032051 k( 97) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0032051 k( 98) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0032051 k( 99) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032051 k( 100) = ( 0.0000000 0.2800000 0.0000000), wk = 0.0032051 k( 101) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0032051 k( 102) = ( 0.0000000 0.2400000 0.0000000), wk = 0.0032051 k( 103) = ( 0.0000000 0.2200000 0.0000000), wk = 0.0032051 k( 104) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032051 k( 105) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0032051 k( 106) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0032051 k( 107) = ( 0.0000000 0.1400000 0.0000000), wk = 0.0032051 k( 108) = ( 0.0000000 0.1200000 0.0000000), wk = 0.0032051 k( 109) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032051 k( 110) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0032051 k( 111) = ( 0.0000000 0.0600000 0.0000000), wk = 0.0032051 k( 112) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0032051 k( 113) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0032051 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 116) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0032051 k( 117) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0032051 k( 118) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0032051 k( 119) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0032051 k( 120) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0032051 k( 121) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0032051 k( 122) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0032051 k( 123) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0032051 k( 124) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0032051 k( 125) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032051 k( 126) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 137) = ( 0.0166667 0.0000000 0.5000000), wk = 0.0032051 k( 138) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0032051 k( 139) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0032051 k( 140) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0032051 k( 141) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0032051 k( 142) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0032051 k( 143) = ( 0.1166667 -0.0000000 0.5000000), wk = 0.0032051 k( 144) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0032051 k( 145) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0032051 k( 146) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0032051 k( 147) = ( 0.1833333 0.0000000 0.5000000), wk = 0.0032051 k( 148) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0032051 k( 149) = ( 0.2166667 -0.0000000 0.5000000), wk = 0.0032051 k( 150) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0032051 k( 151) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0032051 k( 152) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0032051 k( 153) = ( 0.2833333 0.0000000 0.5000000), wk = 0.0032051 k( 154) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0032051 k( 155) = ( 0.3166667 0.0000000 0.5000000), wk = 0.0032051 k( 156) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0032051 k( 157) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0032051 k( 158) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0032051 k( 159) = ( 0.3833333 0.0000000 0.5000000), wk = 0.0032051 k( 160) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0032051 k( 161) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0032051 k( 162) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0032051 k( 163) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0032051 k( 164) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0032051 k( 165) = ( 0.4833333 0.0000000 0.5000000), wk = 0.0032051 k( 166) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 167) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 168) = ( 0.5000000 0.0200000 0.5000000), wk = 0.0032051 k( 169) = ( 0.5000000 0.0400000 0.5000000), wk = 0.0032051 k( 170) = ( 0.5000000 0.0600000 0.5000000), wk = 0.0032051 k( 171) = ( 0.5000000 0.0800000 0.5000000), wk = 0.0032051 k( 172) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0032051 k( 173) = ( 0.5000000 0.1200000 0.5000000), wk = 0.0032051 k( 174) = ( 0.5000000 0.1400000 0.5000000), wk = 0.0032051 k( 175) = ( 0.5000000 0.1600000 0.5000000), wk = 0.0032051 k( 176) = ( 0.5000000 0.1800000 0.5000000), wk = 0.0032051 k( 177) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0032051 k( 178) = ( 0.5000000 0.2200000 0.5000000), wk = 0.0032051 k( 179) = ( 0.5000000 0.2400000 0.5000000), wk = 0.0032051 k( 180) = ( 0.5000000 0.2600000 0.5000000), wk = 0.0032051 k( 181) = ( 0.5000000 0.2800000 0.5000000), wk = 0.0032051 k( 182) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0032051 k( 183) = ( 0.5000000 0.3200000 0.5000000), wk = 0.0032051 k( 184) = ( 0.5000000 0.3400000 0.5000000), wk = 0.0032051 k( 185) = ( 0.5000000 0.3600000 0.5000000), wk = 0.0032051 k( 186) = ( 0.5000000 0.3800000 0.5000000), wk = 0.0032051 k( 187) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0032051 k( 188) = ( 0.5000000 0.4200000 0.5000000), wk = 0.0032051 k( 189) = ( 0.5000000 0.4400000 0.5000000), wk = 0.0032051 k( 190) = ( 0.5000000 0.4600000 0.5000000), wk = 0.0032051 k( 191) = ( 0.5000000 0.4800000 0.5000000), wk = 0.0032051 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032051 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032051 k( 194) = ( 0.4833333 0.5000000 0.5000000), wk = 0.0032051 k( 195) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0032051 k( 196) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0032051 k( 197) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0032051 k( 198) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0032051 k( 199) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0032051 k( 200) = ( 0.3833333 0.5000000 0.5000000), wk = 0.0032051 k( 201) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0032051 k( 202) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0032051 k( 203) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0032051 k( 204) = ( 0.3166667 0.5000000 0.5000000), wk = 0.0032051 k( 205) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0032051 k( 206) = ( 0.2833333 0.5000000 0.5000000), wk = 0.0032051 k( 207) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0032051 k( 208) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0032051 k( 209) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0032051 k( 210) = ( 0.2166667 0.5000000 0.5000000), wk = 0.0032051 k( 211) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0032051 k( 212) = ( 0.1833333 0.5000000 0.5000000), wk = 0.0032051 k( 213) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0032051 k( 214) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0032051 k( 215) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0032051 k( 216) = ( 0.1166667 0.5000000 0.5000000), wk = 0.0032051 k( 217) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0032051 k( 218) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0032051 k( 219) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0032051 k( 220) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0032051 k( 221) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0032051 k( 222) = ( 0.0166667 0.5000000 0.5000000), wk = 0.0032051 k( 223) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032051 k( 224) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032051 k( 225) = ( 0.0000000 0.4800000 0.5000000), wk = 0.0032051 k( 226) = ( 0.0000000 0.4600000 0.5000000), wk = 0.0032051 k( 227) = ( 0.0000000 0.4400000 0.5000000), wk = 0.0032051 k( 228) = ( 0.0000000 0.4200000 0.5000000), wk = 0.0032051 k( 229) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0032051 k( 230) = ( 0.0000000 0.3800000 0.5000000), wk = 0.0032051 k( 231) = ( 0.0000000 0.3600000 0.5000000), wk = 0.0032051 k( 232) = ( 0.0000000 0.3400000 0.5000000), wk = 0.0032051 k( 233) = ( 0.0000000 0.3200000 0.5000000), wk = 0.0032051 k( 234) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0032051 k( 235) = ( 0.0000000 0.2800000 0.5000000), wk = 0.0032051 k( 236) = ( 0.0000000 0.2600000 0.5000000), wk = 0.0032051 k( 237) = ( 0.0000000 0.2400000 0.5000000), wk = 0.0032051 k( 238) = ( 0.0000000 0.2200000 0.5000000), wk = 0.0032051 k( 239) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0032051 k( 240) = ( 0.0000000 0.1800000 0.5000000), wk = 0.0032051 k( 241) = ( 0.0000000 0.1600000 0.5000000), wk = 0.0032051 k( 242) = ( 0.0000000 0.1400000 0.5000000), wk = 0.0032051 k( 243) = ( 0.0000000 0.1200000 0.5000000), wk = 0.0032051 k( 244) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0032051 k( 245) = ( 0.0000000 0.0800000 0.5000000), wk = 0.0032051 k( 246) = ( 0.0000000 0.0600000 0.5000000), wk = 0.0032051 k( 247) = ( 0.0000000 0.0400000 0.5000000), wk = 0.0032051 k( 248) = ( 0.0000000 0.0200000 0.5000000), wk = 0.0032051 k( 249) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 250) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032051 k( 251) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0032051 k( 252) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0032051 k( 253) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0032051 k( 254) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0032051 k( 255) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0032051 k( 256) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0032051 k( 257) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0032051 k( 258) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0032051 k( 259) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0032051 k( 260) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0032051 k( 261) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0032051 k( 262) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0032051 k( 263) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0032051 k( 264) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0032051 k( 265) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0032051 k( 266) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0032051 k( 267) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0032051 k( 268) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0032051 k( 269) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0032051 k( 270) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032051 k( 271) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032051 k( 272) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0032051 k( 273) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0032051 k( 274) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0032051 k( 275) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0032051 k( 276) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0032051 k( 277) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0032051 k( 278) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0032051 k( 279) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0032051 k( 280) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0032051 k( 281) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0032051 k( 282) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0032051 k( 283) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0032051 k( 284) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0032051 k( 285) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0032051 k( 286) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0032051 k( 287) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0032051 k( 288) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0032051 k( 289) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0032051 k( 290) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0032051 k( 291) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032051 k( 292) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032051 k( 293) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032051 k( 294) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032051 k( 295) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032051 k( 296) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032051 k( 297) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032051 k( 298) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032051 k( 299) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032051 k( 300) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032051 k( 301) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032051 k( 302) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032051 k( 303) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032051 k( 304) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032051 k( 305) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032051 k( 306) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032051 k( 307) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032051 k( 308) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032051 k( 309) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032051 k( 310) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032051 k( 311) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032051 k( 312) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032051 Dense grid: 499977 G-vectors FFT dimensions: ( 81, 100, 120) Smooth grid: 77243 G-vectors FFT dimensions: ( 45, 54, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.68 Mb ( 620, 72) NL pseudopotentials 0.80 Mb ( 310, 170) Each V/rho on FFT grid 0.49 Mb ( 32400) Each G-vector array 0.12 Mb ( 15624) G-vector shells 0.06 Mb ( 7515) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.72 Mb ( 620, 288) Each subspace H/S matrix 1.27 Mb ( 288, 288) Each matrix 0.37 Mb ( 170, 2, 72) The potential is recalculated from file : ./Zr3Cd2.save/charge-density.dat Starting wfc are 114 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.6 secs Computing kpt #: 2 total cpu time spent up to now is 10.8 secs Computing kpt #: 3 total cpu time spent up to now is 14.0 secs Computing kpt #: 4 total cpu time spent up to now is 17.2 secs Computing kpt #: 5 total cpu time spent up to now is 20.4 secs Computing kpt #: 6 total cpu time spent up to now is 23.7 secs Computing kpt #: 7 total cpu time spent up to now is 27.2 secs Computing kpt #: 8 total cpu time spent up to now is 30.9 secs Computing kpt #: 9 total cpu time spent up to now is 34.7 secs Computing kpt #: 10 total cpu time spent up to now is 38.8 secs Computing kpt #: 11 total cpu time spent up to now is 42.6 secs Computing kpt #: 12 total cpu time spent up to now is 47.4 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 52.8 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.3 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 63.8 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.2 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 74.7 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 80.3 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 85.9 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.3 secs Computing kpt #: 21 total cpu time spent up to now is 96.1 secs Computing kpt #: 22 total cpu time spent up to now is 101.5 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 107.3 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 113.1 secs Computing kpt #: 25 total cpu time spent up to now is 118.3 secs Computing kpt #: 26 total cpu time spent up to now is 122.2 secs Computing kpt #: 27 total cpu time spent up to now is 126.0 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 131.6 secs Computing kpt #: 29 total cpu time spent up to now is 135.3 secs Computing kpt #: 30 total cpu time spent up to now is 139.1 secs Computing kpt #: 31 total cpu time spent up to now is 142.9 secs Computing kpt #: 32 total cpu time spent up to now is 146.5 secs Computing kpt #: 33 total cpu time spent up to now is 150.3 secs Computing kpt #: 34 total cpu time spent up to now is 154.4 secs Computing kpt #: 35 total cpu time spent up to now is 158.2 secs Computing kpt #: 36 total cpu time spent up to now is 162.0 secs Computing kpt #: 37 total cpu time spent up to now is 165.7 secs Computing kpt #: 38 total cpu time spent up to now is 169.7 secs Computing kpt #: 39 total cpu time spent up to now is 173.4 secs Computing kpt #: 40 total cpu time spent up to now is 177.0 secs Computing kpt #: 41 total cpu time spent up to now is 180.6 secs Computing kpt #: 42 total cpu time spent up to now is 184.3 secs Computing kpt #: 43 total cpu time spent up to now is 188.0 secs Computing kpt #: 44 total cpu time spent up to now is 191.6 secs Computing kpt #: 45 total cpu time spent up to now is 195.3 secs Computing kpt #: 46 total cpu time spent up to now is 201.8 secs Computing kpt #: 47 total cpu time spent up to now is 205.2 secs Computing kpt #: 48 total cpu time spent up to now is 208.5 secs Computing kpt #: 49 total cpu time spent up to now is 212.0 secs Computing kpt #: 50 total cpu time spent up to now is 215.4 secs Computing kpt #: 51 total cpu time spent up to now is 218.7 secs Computing kpt #: 52 total cpu time spent up to now is 222.1 secs Computing kpt #: 53 total cpu time spent up to now is 225.5 secs Computing kpt #: 54 total cpu time spent up to now is 228.8 secs Computing kpt #: 55 total cpu time spent up to now is 232.6 secs Computing kpt #: 56 total cpu time spent up to now is 236.7 secs Computing kpt #: 57 total cpu time spent up to now is 240.0 secs Computing kpt #: 58 total cpu time spent up to now is 243.6 secs Computing kpt #: 59 total cpu time spent up to now is 247.2 secs Computing kpt #: 60 total cpu time spent up to now is 251.4 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.1 secs Computing kpt #: 62 total cpu time spent up to now is 262.2 secs Computing kpt #: 63 total cpu time spent up to now is 265.5 secs Computing kpt #: 64 total cpu time spent up to now is 268.8 secs Computing kpt #: 65 total cpu time spent up to now is 272.5 secs Computing kpt #: 66 total cpu time spent up to now is 275.8 secs Computing kpt #: 67 total cpu time spent up to now is 279.0 secs Computing kpt #: 68 total cpu time spent up to now is 282.5 secs Computing kpt #: 69 total cpu time spent up to now is 286.1 secs Computing kpt #: 70 total cpu time spent up to now is 289.5 secs Computing kpt #: 71 total cpu time spent up to now is 292.8 secs Computing kpt #: 72 total cpu time spent up to now is 296.3 secs Computing kpt #: 73 total cpu time spent up to now is 299.8 secs Computing kpt #: 74 total cpu time spent up to now is 303.3 secs Computing kpt #: 75 total cpu time spent up to now is 306.8 secs Computing kpt #: 76 total cpu time spent up to now is 310.4 secs Computing kpt #: 77 total cpu time spent up to now is 313.9 secs Computing kpt #: 78 total cpu time spent up to now is 317.3 secs Computing kpt #: 79 total cpu time spent up to now is 320.9 secs Computing kpt #: 80 total cpu time spent up to now is 324.5 secs Computing kpt #: 81 total cpu time spent up to now is 328.0 secs Computing kpt #: 82 total cpu time spent up to now is 331.5 secs Computing kpt #: 83 total cpu time spent up to now is 335.0 secs Computing kpt #: 84 total cpu time spent up to now is 338.1 secs Computing kpt #: 85 total cpu time spent up to now is 341.3 secs Computing kpt #: 86 total cpu time spent up to now is 344.4 secs Computing kpt #: 87 total cpu time spent up to now is 347.5 secs Computing kpt #: 88 total cpu time spent up to now is 350.7 secs Computing kpt #: 89 total cpu time spent up to now is 353.8 secs Computing kpt #: 90 total cpu time spent up to now is 356.9 secs Computing kpt #: 91 total cpu time spent up to now is 360.1 secs Computing kpt #: 92 total cpu time spent up to now is 363.5 secs Computing kpt #: 93 total cpu time spent up to now is 366.9 secs Computing kpt #: 94 total cpu time spent up to now is 370.3 secs Computing kpt #: 95 total cpu time spent up to now is 373.9 secs Computing kpt #: 96 total cpu time spent up to now is 377.5 secs Computing kpt #: 97 total cpu time spent up to now is 381.1 secs Computing kpt #: 98 total cpu time spent up to now is 385.4 secs Computing kpt #: 99 total cpu time spent up to now is 389.1 secs Computing kpt #: 100 total cpu time spent up to now is 393.0 secs Computing kpt #: 101 total cpu time spent up to now is 396.7 secs Computing kpt #: 102 total cpu time spent up to now is 400.6 secs Computing kpt #: 103 total cpu time spent up to now is 404.1 secs Computing kpt #: 104 total cpu time spent up to now is 407.8 secs Computing kpt #: 105 total cpu time spent up to now is 411.3 secs Computing kpt #: 106 total cpu time spent up to now is 414.8 secs Computing kpt #: 107 total cpu time spent up to now is 418.1 secs Computing kpt #: 108 total cpu time spent up to now is 421.6 secs Computing kpt #: 109 total cpu time spent up to now is 425.0 secs Computing kpt #: 110 total cpu time spent up to now is 428.3 secs Computing kpt #: 111 total cpu time spent up to now is 431.5 secs Computing kpt #: 112 total cpu time spent up to now is 434.6 secs Computing kpt #: 113 total cpu time spent up to now is 437.7 secs Computing kpt #: 114 total cpu time spent up to now is 440.8 secs Computing kpt #: 115 total cpu time spent up to now is 444.0 secs Computing kpt #: 116 total cpu time spent up to now is 447.1 secs Computing kpt #: 117 total cpu time spent up to now is 450.3 secs Computing kpt #: 118 total cpu time spent up to now is 453.4 secs Computing kpt #: 119 total cpu time spent up to now is 456.5 secs Computing kpt #: 120 total cpu time spent up to now is 459.6 secs Computing kpt #: 121 total cpu time spent up to now is 462.7 secs Computing kpt #: 122 total cpu time spent up to now is 465.8 secs Computing kpt #: 123 total cpu time spent up to now is 468.9 secs Computing kpt #: 124 total cpu time spent up to now is 471.9 secs Computing kpt #: 125 total cpu time spent up to now is 474.9 secs Computing kpt #: 126 total cpu time spent up to now is 478.0 secs Computing kpt #: 127 total cpu time spent up to now is 481.0 secs Computing kpt #: 128 total cpu time spent up to now is 484.0 secs Computing kpt #: 129 total cpu time spent up to now is 486.8 secs Computing kpt #: 130 total cpu time spent up to now is 489.6 secs Computing kpt #: 131 total cpu time spent up to now is 492.6 secs Computing kpt #: 132 total cpu time spent up to now is 495.6 secs Computing kpt #: 133 total cpu time spent up to now is 501.8 secs Computing kpt #: 134 total cpu time spent up to now is 504.6 secs Computing kpt #: 135 total cpu time spent up to now is 507.5 secs Computing kpt #: 136 total cpu time spent up to now is 510.6 secs Computing kpt #: 137 total cpu time spent up to now is 513.4 secs Computing kpt #: 138 total cpu time spent up to now is 516.4 secs Computing kpt #: 139 total cpu time spent up to now is 519.2 secs Computing kpt #: 140 total cpu time spent up to now is 522.3 secs Computing kpt #: 141 total cpu time spent up to now is 525.4 secs Computing kpt #: 142 total cpu time spent up to now is 528.7 secs Computing kpt #: 143 total cpu time spent up to now is 532.1 secs Computing kpt #: 144 total cpu time spent up to now is 535.7 secs Computing kpt #: 145 total cpu time spent up to now is 539.6 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 545.1 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 550.7 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 556.0 secs Computing kpt #: 149 total cpu time spent up to now is 560.8 secs Computing kpt #: 150 total cpu time spent up to now is 565.8 secs Computing kpt #: 151 total cpu time spent up to now is 570.4 secs Computing kpt #: 152 total cpu time spent up to now is 574.4 secs Computing kpt #: 153 total cpu time spent up to now is 578.2 secs Computing kpt #: 154 total cpu time spent up to now is 581.8 secs Computing kpt #: 155 total cpu time spent up to now is 585.5 secs Computing kpt #: 156 total cpu time spent up to now is 589.1 secs Computing kpt #: 157 total cpu time spent up to now is 592.4 secs Computing kpt #: 158 total cpu time spent up to now is 595.8 secs Computing kpt #: 159 total cpu time spent up to now is 599.1 secs Computing kpt #: 160 total cpu time spent up to now is 602.8 secs Computing kpt #: 161 total cpu time spent up to now is 607.5 secs Computing kpt #: 162 total cpu time spent up to now is 612.2 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 618.0 secs Computing kpt #: 164 total cpu time spent up to now is 623.2 secs Computing kpt #: 165 total cpu time spent up to now is 627.8 secs Computing kpt #: 166 total cpu time spent up to now is 632.1 secs Computing kpt #: 167 total cpu time spent up to now is 636.5 secs Computing kpt #: 168 total cpu time spent up to now is 641.0 secs Computing kpt #: 169 total cpu time spent up to now is 645.3 secs Computing kpt #: 170 total cpu time spent up to now is 649.7 secs Computing kpt #: 171 total cpu time spent up to now is 654.1 secs Computing kpt #: 172 total cpu time spent up to now is 658.6 secs Computing kpt #: 173 total cpu time spent up to now is 663.2 secs Computing kpt #: 174 total cpu time spent up to now is 667.7 secs Computing kpt #: 175 total cpu time spent up to now is 672.7 secs Computing kpt #: 176 total cpu time spent up to now is 677.2 secs Computing kpt #: 177 total cpu time spent up to now is 682.0 secs Computing kpt #: 178 total cpu time spent up to now is 686.7 secs Computing kpt #: 179 total cpu time spent up to now is 691.3 secs Computing kpt #: 180 total cpu time spent up to now is 696.0 secs Computing kpt #: 181 total cpu time spent up to now is 700.4 secs Computing kpt #: 182 total cpu time spent up to now is 704.9 secs Computing kpt #: 183 total cpu time spent up to now is 709.5 secs Computing kpt #: 184 total cpu time spent up to now is 713.9 secs Computing kpt #: 185 total cpu time spent up to now is 718.3 secs Computing kpt #: 186 total cpu time spent up to now is 722.7 secs Computing kpt #: 187 total cpu time spent up to now is 727.0 secs Computing kpt #: 188 total cpu time spent up to now is 731.4 secs Computing kpt #: 189 total cpu time spent up to now is 735.7 secs Computing kpt #: 190 total cpu time spent up to now is 739.7 secs Computing kpt #: 191 total cpu time spent up to now is 743.9 secs Computing kpt #: 192 total cpu time spent up to now is 748.2 secs Computing kpt #: 193 total cpu time spent up to now is 752.3 secs Computing kpt #: 194 total cpu time spent up to now is 755.9 secs Computing kpt #: 195 total cpu time spent up to now is 760.2 secs Computing kpt #: 196 total cpu time spent up to now is 764.7 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 770.7 secs Computing kpt #: 198 total cpu time spent up to now is 775.2 secs Computing kpt #: 199 total cpu time spent up to now is 779.6 secs Computing kpt #: 200 total cpu time spent up to now is 783.8 secs Computing kpt #: 201 total cpu time spent up to now is 787.3 secs Computing kpt #: 202 total cpu time spent up to now is 790.8 secs Computing kpt #: 203 total cpu time spent up to now is 794.1 secs Computing kpt #: 204 total cpu time spent up to now is 797.8 secs Computing kpt #: 205 total cpu time spent up to now is 803.5 secs Computing kpt #: 206 total cpu time spent up to now is 806.7 secs Computing kpt #: 207 total cpu time spent up to now is 809.8 secs Computing kpt #: 208 total cpu time spent up to now is 812.9 secs Computing kpt #: 209 total cpu time spent up to now is 816.1 secs Computing kpt #: 210 total cpu time spent up to now is 819.3 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 824.7 secs Computing kpt #: 212 total cpu time spent up to now is 828.7 secs Computing kpt #: 213 total cpu time spent up to now is 832.0 secs Computing kpt #: 214 total cpu time spent up to now is 835.1 secs Computing kpt #: 215 total cpu time spent up to now is 838.2 secs Computing kpt #: 216 total cpu time spent up to now is 841.5 secs Computing kpt #: 217 total cpu time spent up to now is 844.5 secs Computing kpt #: 218 total cpu time spent up to now is 847.6 secs Computing kpt #: 219 total cpu time spent up to now is 850.6 secs Computing kpt #: 220 total cpu time spent up to now is 853.6 secs Computing kpt #: 221 total cpu time spent up to now is 856.6 secs Computing kpt #: 222 total cpu time spent up to now is 859.7 secs Computing kpt #: 223 total cpu time spent up to now is 862.7 secs Computing kpt #: 224 total cpu time spent up to now is 866.0 secs Computing kpt #: 225 total cpu time spent up to now is 869.2 secs Computing kpt #: 226 total cpu time spent up to now is 872.2 secs Computing kpt #: 227 total cpu time spent up to now is 875.1 secs Computing kpt #: 228 total cpu time spent up to now is 878.8 secs Computing kpt #: 229 total cpu time spent up to now is 882.0 secs Computing kpt #: 230 total cpu time spent up to now is 885.6 secs Computing kpt #: 231 total cpu time spent up to now is 888.6 secs Computing kpt #: 232 total cpu time spent up to now is 891.8 secs Computing kpt #: 233 total cpu time spent up to now is 895.2 secs Computing kpt #: 234 total cpu time spent up to now is 898.5 secs Computing kpt #: 235 total cpu time spent up to now is 902.5 secs Computing kpt #: 236 total cpu time spent up to now is 907.4 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 912.5 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 917.6 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 922.7 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 927.9 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 933.0 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 938.1 secs Computing kpt #: 243 total cpu time spent up to now is 942.0 secs Computing kpt #: 244 total cpu time spent up to now is 945.3 secs Computing kpt #: 245 total cpu time spent up to now is 948.6 secs Computing kpt #: 246 total cpu time spent up to now is 951.7 secs Computing kpt #: 247 total cpu time spent up to now is 954.5 secs Computing kpt #: 248 total cpu time spent up to now is 957.6 secs Computing kpt #: 249 total cpu time spent up to now is 960.7 secs Computing kpt #: 250 total cpu time spent up to now is 963.8 secs Computing kpt #: 251 total cpu time spent up to now is 966.9 secs Computing kpt #: 252 total cpu time spent up to now is 970.1 secs Computing kpt #: 253 total cpu time spent up to now is 973.2 secs Computing kpt #: 254 total cpu time spent up to now is 976.4 secs Computing kpt #: 255 total cpu time spent up to now is 979.5 secs Computing kpt #: 256 total cpu time spent up to now is 982.7 secs Computing kpt #: 257 total cpu time spent up to now is 985.8 secs Computing kpt #: 258 total cpu time spent up to now is 988.9 secs Computing kpt #: 259 total cpu time spent up to now is 992.0 secs Computing kpt #: 260 total cpu time spent up to now is 995.3 secs Computing kpt #: 261 total cpu time spent up to now is 998.5 secs Computing kpt #: 262 total cpu time spent up to now is 1001.8 secs Computing kpt #: 263 total cpu time spent up to now is 1004.9 secs Computing kpt #: 264 total cpu time spent up to now is 1008.1 secs Computing kpt #: 265 total cpu time spent up to now is 1011.4 secs Computing kpt #: 266 total cpu time spent up to now is 1014.5 secs Computing kpt #: 267 total cpu time spent up to now is 1017.7 secs Computing kpt #: 268 total cpu time spent up to now is 1020.7 secs Computing kpt #: 269 total cpu time spent up to now is 1023.6 secs Computing kpt #: 270 total cpu time spent up to now is 1026.5 secs Computing kpt #: 271 total cpu time spent up to now is 1030.9 secs Computing kpt #: 272 total cpu time spent up to now is 1035.2 secs Computing kpt #: 273 total cpu time spent up to now is 1039.5 secs Computing kpt #: 274 total cpu time spent up to now is 1043.8 secs Computing kpt #: 275 total cpu time spent up to now is 1047.7 secs Computing kpt #: 276 total cpu time spent up to now is 1052.4 secs Computing kpt #: 277 total cpu time spent up to now is 1057.6 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1063.0 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1068.5 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1074.1 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1079.7 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1085.3 secs Computing kpt #: 283 total cpu time spent up to now is 1090.1 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1095.6 secs Computing kpt #: 285 total cpu time spent up to now is 1103.0 secs Computing kpt #: 286 total cpu time spent up to now is 1107.2 secs Computing kpt #: 287 total cpu time spent up to now is 1111.3 secs Computing kpt #: 288 total cpu time spent up to now is 1115.0 secs Computing kpt #: 289 total cpu time spent up to now is 1119.1 secs Computing kpt #: 290 total cpu time spent up to now is 1123.1 secs Computing kpt #: 291 total cpu time spent up to now is 1127.2 secs Computing kpt #: 292 total cpu time spent up to now is 1130.7 secs Computing kpt #: 293 total cpu time spent up to now is 1134.3 secs Computing kpt #: 294 total cpu time spent up to now is 1138.4 secs Computing kpt #: 295 total cpu time spent up to now is 1142.7 secs Computing kpt #: 296 total cpu time spent up to now is 1146.8 secs Computing kpt #: 297 total cpu time spent up to now is 1151.2 secs Computing kpt #: 298 total cpu time spent up to now is 1155.9 secs Computing kpt #: 299 total cpu time spent up to now is 1161.4 secs Computing kpt #: 300 total cpu time spent up to now is 1166.5 secs Computing kpt #: 301 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1172.6 secs Computing kpt #: 302 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1178.9 secs Computing kpt #: 303 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1184.9 secs Computing kpt #: 304 total cpu time spent up to now is 1190.3 secs Computing kpt #: 305 total cpu time spent up to now is 1195.1 secs Computing kpt #: 306 total cpu time spent up to now is 1199.7 secs Computing kpt #: 307 total cpu time spent up to now is 1204.3 secs Computing kpt #: 308 total cpu time spent up to now is 1208.7 secs Computing kpt #: 309 total cpu time spent up to now is 1212.9 secs Computing kpt #: 310 total cpu time spent up to now is 1217.0 secs Computing kpt #: 311 total cpu time spent up to now is 1221.3 secs Computing kpt #: 312 total cpu time spent up to now is 1225.6 secs ethr = 1.67E-11, avg # of iterations = 58.0 total cpu time spent up to now is 1225.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9623 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9445 -5.9445 -5.4856 -5.4856 -5.3291 -5.3291 -5.1909 -5.1909 -5.1482 -5.1482 -4.9051 -4.9051 -4.6527 -4.6527 -4.4804 -4.4804 -4.4237 -4.4237 -4.3891 -4.3891 -1.2211 -1.2211 1.0362 1.0362 2.0559 2.0559 2.0765 2.0765 2.1504 2.1504 2.4308 2.4308 3.1298 3.1298 3.2694 3.2694 3.3499 3.3499 3.4062 3.4062 4.1903 4.1903 4.4562 4.4562 4.5232 4.5232 4.5874 4.5874 k = 0.0167-0.0000-0.0000 ( 9635 PWs) bands (ev): -46.6175 -46.6175 -45.9934 -45.9934 -45.6428 -45.6428 -25.8431 -25.8431 -25.4627 -25.4627 -25.0451 -25.0451 -24.1573 -24.1573 -23.9618 -23.9618 -23.8360 -23.8360 -23.5968 -23.5968 -23.2590 -23.2590 -22.2377 -22.2377 -5.9437 -5.9437 -5.4855 -5.4855 -5.3290 -5.3290 -5.1908 -5.1908 -5.1480 -5.1480 -4.9051 -4.9051 -4.6527 -4.6527 -4.4804 -4.4804 -4.4237 -4.4237 -4.3891 -4.3891 -1.2196 -1.2196 1.0401 1.0401 2.0579 2.0579 2.0776 2.0776 2.1519 2.1519 2.4318 2.4318 3.1290 3.1290 3.2699 3.2699 3.3506 3.3506 3.4010 3.4010 4.1959 4.1959 4.4515 4.4515 4.5203 4.5203 4.5879 4.5879 k = 0.0333-0.0000-0.0000 ( 9639 PWs) bands (ev): -46.6175 -46.6175 -45.9927 -45.9927 -45.6436 -45.6436 -25.8432 -25.8432 -25.4605 -25.4605 -25.0451 -25.0451 -24.1574 -24.1574 -23.9619 -23.9619 -23.8347 -23.8347 -23.5962 -23.5962 -23.2597 -23.2597 -22.2426 -22.2426 -5.9415 -5.9415 -5.4853 -5.4853 -5.3285 -5.3285 -5.1907 -5.1907 -5.1472 -5.1472 -4.9048 -4.9048 -4.6527 -4.6527 -4.4804 -4.4804 -4.4237 -4.4237 -4.3891 -4.3891 -1.2151 -1.2151 1.0521 1.0521 2.0638 2.0638 2.0809 2.0809 2.1565 2.1565 2.4352 2.4352 3.1265 3.1265 3.2714 3.2714 3.3527 3.3527 3.3857 3.3857 4.2121 4.2121 4.4352 4.4352 4.5135 4.5135 4.5896 4.5896 k = 0.0500-0.0000-0.0000 ( 9637 PWs) bands (ev): -46.6175 -46.6175 -45.9916 -45.9916 -45.6448 -45.6448 -25.8433 -25.8433 -25.4569 -25.4569 -25.0450 -25.0450 -24.1575 -24.1575 -23.9621 -23.9621 -23.8324 -23.8324 -23.5953 -23.5953 -23.2607 -23.2607 -22.2506 -22.2506 -5.9377 -5.9377 -5.4848 -5.4848 -5.3276 -5.3276 -5.1904 -5.1904 -5.1458 -5.1458 -4.9042 -4.9042 -4.6527 -4.6527 -4.4803 -4.4803 -4.4236 -4.4236 -4.3889 -4.3889 -1.2076 -1.2076 1.0719 1.0719 2.0737 2.0737 2.0863 2.0863 2.1640 2.1640 2.4407 2.4407 3.1224 3.1224 3.2738 3.2738 3.3554 3.3554 3.3625 3.3625 4.2371 4.2371 4.4030 4.4030 4.5070 4.5070 4.5925 4.5925 k = 0.0667-0.0000-0.0000 ( 9635 PWs) bands (ev): -46.6175 -46.6175 -45.9900 -45.9900 -45.6465 -45.6465 -25.8434 -25.8434 -25.4518 -25.4518 -25.0448 -25.0448 -24.1577 -24.1577 -23.9624 -23.9624 -23.8292 -23.8292 -23.5939 -23.5939 -23.2621 -23.2621 -22.2618 -22.2618 -5.9324 -5.9324 -5.4842 -5.4842 -5.3264 -5.3264 -5.1901 -5.1901 -5.1437 -5.1437 -4.9034 -4.9034 -4.6526 -4.6526 -4.4803 -4.4803 -4.4236 -4.4236 -4.3887 -4.3887 -1.1972 -1.1972 1.0995 1.0995 2.0874 2.0874 2.0940 2.0940 2.1745 2.1745 2.4484 2.4484 3.1168 3.1168 3.2771 3.2771 3.3298 3.3298 3.3619 3.3619 4.2657 4.2657 4.3565 4.3565 4.5025 4.5025 4.5965 4.5965 k = 0.0833-0.0000-0.0000 ( 9645 PWs) bands (ev): -46.6175 -46.6175 -45.9880 -45.9880 -45.6487 -45.6487 -25.8436 -25.8436 -25.4453 -25.4453 -25.0447 -25.0447 -24.1579 -24.1579 -23.9627 -23.9627 -23.8250 -23.8250 -23.5922 -23.5922 -23.2640 -23.2640 -22.2761 -22.2761 -5.9258 -5.9258 -5.4834 -5.4834 -5.3250 -5.3250 -5.1897 -5.1897 -5.1411 -5.1411 -4.9025 -4.9025 -4.6526 -4.6526 -4.4802 -4.4802 -4.4236 -4.4236 -4.3886 -4.3886 -1.1837 -1.1837 1.1346 1.1346 2.1038 2.1038 2.1050 2.1050 2.1878 2.1878 2.4582 2.4582 3.1099 3.1099 3.2813 3.2813 3.2934 3.2934 3.3684 3.3684 4.2596 4.2596 4.3338 4.3338 4.4995 4.4995 4.6016 4.6016 k = 0.1000-0.0000-0.0000 ( 9649 PWs) bands (ev): -46.6175 -46.6175 -45.9855 -45.9855 -45.6514 -45.6514 -25.8439 -25.8439 -25.4376 -25.4376 -25.0446 -25.0446 -24.1582 -24.1582 -23.9631 -23.9631 -23.8198 -23.8198 -23.5901 -23.5901 -23.2662 -23.2662 -22.2935 -22.2935 -5.9179 -5.9179 -5.4825 -5.4825 -5.3233 -5.3233 -5.1893 -5.1893 -5.1378 -5.1378 -4.9014 -4.9014 -4.6526 -4.6526 -4.4801 -4.4801 -4.4235 -4.4235 -4.3884 -4.3884 -1.1673 -1.1673 1.1771 1.1771 2.1157 2.1157 2.1264 2.1264 2.2037 2.2037 2.4702 2.4702 3.1018 3.1018 3.2533 3.2533 3.2863 3.2863 3.3763 3.3763 4.1876 4.1876 4.3681 4.3681 4.4975 4.4975 4.6076 4.6076 k = 0.1167-0.0000-0.0000 ( 9653 PWs) bands (ev): -46.6174 -46.6174 -45.9826 -45.9826 -45.6545 -45.6545 -25.8442 -25.8442 -25.4286 -25.4286 -25.0444 -25.0444 -24.1585 -24.1585 -23.9636 -23.9636 -23.8136 -23.8136 -23.5877 -23.5877 -23.2688 -23.2688 -22.3138 -22.3138 -5.9089 -5.9089 -5.4814 -5.4814 -5.3214 -5.3214 -5.1889 -5.1889 -5.1338 -5.1338 -4.9001 -4.9001 -4.6526 -4.6526 -4.4800 -4.4800 -4.4235 -4.4235 -4.3882 -4.3882 -1.1478 -1.1478 1.2265 1.2265 2.1299 2.1299 2.1514 2.1514 2.2223 2.2223 2.4842 2.4842 3.0927 3.0927 3.2109 3.2109 3.2919 3.2919 3.3856 3.3856 4.0979 4.0979 4.4130 4.4130 4.4963 4.4963 4.6135 4.6135 k = 0.1333-0.0000-0.0000 ( 9651 PWs) bands (ev): -46.6174 -46.6174 -45.9793 -45.9793 -45.6581 -45.6581 -25.8445 -25.8445 -25.4184 -25.4184 -25.0443 -25.0443 -24.1589 -24.1589 -23.9642 -23.9642 -23.8063 -23.8063 -23.5849 -23.5849 -23.2717 -23.2717 -22.3370 -22.3370 -5.8987 -5.8987 -5.4802 -5.4802 -5.3192 -5.3192 -5.1884 -5.1884 -5.1291 -5.1291 -4.8985 -4.8985 -4.6525 -4.6525 -4.4798 -4.4798 -4.4234 -4.4234 -4.3879 -4.3879 -1.1254 -1.1254 1.2825 1.2825 2.1461 2.1461 2.1799 2.1799 2.2432 2.2432 2.5003 2.5003 3.0823 3.0823 3.1678 3.1678 3.2980 3.2980 3.3963 3.3963 4.0010 4.0010 4.4577 4.4577 4.4978 4.4978 4.6111 4.6111 k = 0.1500-0.0000-0.0000 ( 9649 PWs) bands (ev): -46.6173 -46.6173 -45.9756 -45.9756 -45.6621 -45.6621 -25.8448 -25.8448 -25.4071 -25.4071 -25.0442 -25.0442 -24.1593 -24.1593 -23.9648 -23.9648 -23.7978 -23.7978 -23.5818 -23.5818 -23.2751 -23.2751 -22.3629 -22.3629 -5.8877 -5.8877 -5.4788 -5.4788 -5.3170 -5.3170 -5.1879 -5.1879 -5.1236 -5.1236 -4.8969 -4.8969 -4.6525 -4.6525 -4.4796 -4.4796 -4.4233 -4.4233 -4.3876 -4.3876 -1.1001 -1.1001 1.3445 1.3445 2.1644 2.1644 2.2115 2.2115 2.2665 2.2665 2.5182 2.5182 3.0696 3.0696 3.1266 3.1266 3.3042 3.3042 3.4083 3.4083 3.9011 3.9011 4.4809 4.4809 4.5194 4.5194 4.5825 4.5825 k = 0.1667-0.0000-0.0000 ( 9661 PWs) bands (ev): -46.6173 -46.6173 -45.9715 -45.9715 -45.6666 -45.6666 -25.8452 -25.8452 -25.3948 -25.3948 -25.0441 -25.0441 -24.1598 -24.1598 -23.9654 -23.9654 -23.7882 -23.7882 -23.5783 -23.5783 -23.2787 -23.2787 -22.3914 -22.3914 -5.8759 -5.8759 -5.4774 -5.4774 -5.3147 -5.3147 -5.1875 -5.1875 -5.1175 -5.1175 -4.8951 -4.8951 -4.6525 -4.6525 -4.4795 -4.4795 -4.4232 -4.4232 -4.3873 -4.3873 -1.0718 -1.0718 1.4117 1.4117 2.1847 2.1847 2.2457 2.2457 2.2922 2.2922 2.5377 2.5377 3.0492 3.0492 3.0937 3.0937 3.3098 3.3098 3.4215 3.4215 3.8016 3.8016 4.4800 4.4800 4.5320 4.5320 4.5747 4.5747 k = 0.1833-0.0000-0.0000 ( 9649 PWs) bands (ev): -46.6172 -46.6172 -45.9669 -45.9669 -45.6714 -45.6714 -25.8455 -25.8455 -25.3816 -25.3816 -25.0441 -25.0441 -24.1602 -24.1602 -23.9661 -23.9661 -23.7773 -23.7773 -23.5745 -23.5745 -23.2827 -23.2827 -22.4223 -22.4223 -5.8635 -5.8635 -5.4759 -5.4759 -5.3122 -5.3122 -5.1870 -5.1870 -5.1106 -5.1106 -4.8931 -4.8931 -4.6524 -4.6524 -4.4792 -4.4792 -4.4231 -4.4231 -4.3869 -4.3869 -1.0406 -1.0406 1.4832 1.4832 2.2070 2.2070 2.2810 2.2810 2.3211 2.3211 2.5588 2.5588 3.0156 3.0156 3.0759 3.0759 3.3135 3.3135 3.4359 3.4359 3.7063 3.7063 4.4660 4.4660 4.5019 4.5019 4.6156 4.6156 k = 0.2000-0.0000-0.0000 ( 9656 PWs) bands (ev): -46.6172 -46.6172 -45.9621 -45.9621 -45.6767 -45.6767 -25.8460 -25.8460 -25.3676 -25.3676 -25.0442 -25.0442 -24.1607 -24.1607 -23.9668 -23.9668 -23.7652 -23.7652 -23.5704 -23.5704 -23.2870 -23.2870 -22.4556 -22.4556 -5.8507 -5.8507 -5.4743 -5.4743 -5.3097 -5.3097 -5.1866 -5.1866 -5.1032 -5.1032 -4.8911 -4.8911 -4.6523 -4.6523 -4.4790 -4.4790 -4.4230 -4.4230 -4.3865 -4.3865 -1.0066 -1.0066 1.5577 1.5577 2.2312 2.2312 2.3149 2.3149 2.3549 2.3549 2.5808 2.5808 2.9758 2.9758 3.0675 3.0675 3.3127 3.3127 3.4513 3.4513 3.6204 3.6204 4.4273 4.4273 4.4887 4.4887 4.6545 4.6545 k = 0.2167-0.0000-0.0000 ( 9662 PWs) bands (ev): -46.6172 -46.6172 -45.9568 -45.9568 -45.6824 -45.6824 -25.8464 -25.8464 -25.3530 -25.3530 -25.0445 -25.0445 -24.1613 -24.1613 -23.9675 -23.9675 -23.7516 -23.7516 -23.5661 -23.5661 -23.2915 -23.2915 -22.4911 -22.4911 -5.8376 -5.8376 -5.4727 -5.4727 -5.3073 -5.3073 -5.1862 -5.1862 -5.0951 -5.0951 -4.8889 -4.8889 -4.6523 -4.6523 -4.4789 -4.4789 -4.4228 -4.4228 -4.3861 -4.3861 -0.9698 -0.9698 1.6335 1.6335 2.2570 2.2570 2.3450 2.3450 2.3950 2.3950 2.6033 2.6033 2.9356 2.9356 3.0640 3.0640 3.3028 3.3028 3.4673 3.4673 3.5519 3.5519 4.3768 4.3768 4.4832 4.4832 4.6807 4.6807 k = 0.2333-0.0000-0.0000 ( 9648 PWs) bands (ev): -46.6171 -46.6171 -45.9511 -45.9511 -45.6884 -45.6884 -25.8468 -25.8468 -25.3379 -25.3379 -25.0449 -25.0449 -24.1618 -24.1618 -23.9683 -23.9683 -23.7366 -23.7366 -23.5614 -23.5614 -23.2963 -23.2963 -22.5286 -22.5286 -5.8244 -5.8244 -5.4710 -5.4710 -5.3048 -5.3048 -5.1858 -5.1858 -5.0864 -5.0864 -4.8866 -4.8866 -4.6522 -4.6522 -4.4786 -4.4786 -4.4227 -4.4227 -4.3856 -4.3856 -0.9303 -0.9303 1.7082 1.7082 2.2842 2.2842 2.3713 2.3713 2.4401 2.4401 2.6254 2.6254 2.8972 2.8972 3.0648 3.0648 3.2787 3.2787 3.4820 3.4820 3.5114 3.5114 4.3215 4.3215 4.4787 4.4787 4.6967 4.6967 k = 0.2500-0.0000-0.0000 ( 9648 PWs) bands (ev): -46.6170 -46.6170 -45.9451 -45.9451 -45.6947 -45.6947 -25.8472 -25.8472 -25.3224 -25.3224 -25.0454 -25.0454 -24.1623 -24.1623 -23.9690 -23.9690 -23.7201 -23.7201 -23.5566 -23.5566 -23.3012 -23.3012 -22.5679 -22.5679 -5.8112 -5.8112 -5.4693 -5.4693 -5.3025 -5.3025 -5.1854 -5.1854 -5.0773 -5.0773 -4.8843 -4.8843 -4.6521 -4.6521 -4.4784 -4.4784 -4.4226 -4.4226 -4.3851 -4.3851 -0.8882 -0.8882 1.7786 1.7786 2.3126 2.3126 2.3944 2.3944 2.4878 2.4878 2.6461 2.6461 2.8623 2.8623 3.0704 3.0704 3.2443 3.2443 3.4851 3.4851 3.5100 3.5100 4.2627 4.2627 4.4741 4.4741 4.7096 4.7096 k = 0.2667-0.0000-0.0000 ( 9656 PWs) bands (ev): -46.6170 -46.6170 -45.9388 -45.9388 -45.7014 -45.7014 -25.8477 -25.8477 -25.3066 -25.3066 -25.0462 -25.0462 -24.1629 -24.1629 -23.9697 -23.9697 -23.7021 -23.7021 -23.5515 -23.5515 -23.3064 -23.3064 -22.6088 -22.6088 -5.7983 -5.7983 -5.4677 -5.4677 -5.3003 -5.3003 -5.1851 -5.1851 -5.0677 -5.0677 -4.8821 -4.8821 -4.6521 -4.6521 -4.4782 -4.4782 -4.4225 -4.4225 -4.3846 -4.3846 -0.8437 -0.8437 1.8403 1.8403 2.3420 2.3420 2.4143 2.4143 2.5355 2.5355 2.6645 2.6645 2.8334 2.8334 3.0813 3.0813 3.2125 3.2125 3.4895 3.4895 3.5270 3.5270 4.2009 4.2009 4.4693 4.4693 4.7201 4.7201 k = 0.2833-0.0000-0.0000 ( 9658 PWs) bands (ev): -46.6169 -46.6169 -45.9322 -45.9322 -45.7084 -45.7084 -25.8481 -25.8481 -25.2907 -25.2907 -25.0471 -25.0471 -24.1634 -24.1634 -23.9705 -23.9705 -23.6824 -23.6824 -23.5463 -23.5463 -23.3116 -23.3116 -22.6511 -22.6511 -5.7857 -5.7857 -5.4660 -5.4660 -5.2982 -5.2982 -5.1848 -5.1848 -5.0579 -5.0579 -4.8797 -4.8797 -4.6520 -4.6520 -4.4780 -4.4780 -4.4223 -4.4223 -4.3840 -4.3840 -0.7970 -0.7970 1.8878 1.8878 2.3724 2.3724 2.4311 2.4311 2.5782 2.5782 2.6810 2.6810 2.8151 2.8151 3.0979 3.0979 3.1956 3.1956 3.5040 3.5040 3.5466 3.5466 4.1365 4.1365 4.4639 4.4639 4.7227 4.7256 k = 0.3000-0.0000-0.0000 ( 9650 PWs) bands (ev): -46.6169 -46.6169 -45.9254 -45.9254 -45.7156 -45.7156 -25.8485 -25.8485 -25.2748 -25.2748 -25.0484 -25.0484 -24.1640 -24.1640 -23.9712 -23.9712 -23.6612 -23.6612 -23.5409 -23.5409 -23.3169 -23.3169 -22.6947 -22.6947 -5.7735 -5.7735 -5.4644 -5.4644 -5.2962 -5.2962 -5.1844 -5.1844 -5.0480 -5.0480 -4.8774 -4.8774 -4.6519 -4.6519 -4.4778 -4.4778 -4.4222 -4.4222 -4.3835 -4.3835 -0.7483 -0.7483 1.9153 1.9153 2.4036 2.4036 2.4455 2.4455 2.6076 2.6076 2.6975 2.6975 2.8159 2.8159 3.1201 3.1201 3.1994 3.1994 3.5269 3.5269 3.5676 3.5676 4.0697 4.0697 4.4580 4.4580 4.6669 4.6669 k = 0.3167-0.0000-0.0000 ( 9656 PWs) bands (ev): -46.6168 -46.6168 -45.9182 -45.9182 -45.7231 -45.7231 -25.8489 -25.8489 -25.2591 -25.2591 -25.0499 -25.0499 -24.1645 -24.1645 -23.9719 -23.9719 -23.6383 -23.6383 -23.5354 -23.5354 -23.3222 -23.3222 -22.7394 -22.7394 -5.7620 -5.7620 -5.4629 -5.4629 -5.2943 -5.2943 -5.1842 -5.1842 -5.0382 -5.0382 -4.8752 -4.8752 -4.6518 -4.6518 -4.4777 -4.4777 -4.4220 -4.4220 -4.3829 -4.3829 -0.6981 -0.6981 1.9188 1.9188 2.4326 2.4326 2.4619 2.4619 2.6167 2.6167 2.7167 2.7167 2.8430 2.8430 3.1472 3.1472 3.2240 3.2240 3.5573 3.5573 3.5906 3.5906 4.0012 4.0012 4.4514 4.4514 4.5930 4.5930 k = 0.3333-0.0000-0.0000 ( 9662 PWs) bands (ev): -46.6168 -46.6168 -45.9109 -45.9109 -45.7308 -45.7308 -25.8493 -25.8493 -25.2437 -25.2437 -25.0518 -25.0518 -24.1650 -24.1650 -23.9725 -23.9725 -23.6138 -23.6138 -23.5298 -23.5298 -23.3273 -23.3273 -22.7848 -22.7848 -5.7512 -5.7512 -5.4614 -5.4614 -5.2927 -5.2927 -5.1840 -5.1840 -5.0284 -5.0284 -4.8731 -4.8731 -4.6518 -4.6518 -4.4775 -4.4775 -4.4219 -4.4219 -4.3824 -4.3824 -0.6467 -0.6467 1.8986 1.8986 2.4486 2.4486 2.4916 2.4916 2.6095 2.6095 2.7411 2.7411 2.8923 2.8923 3.1789 3.1789 3.2644 3.2644 3.5911 3.5911 3.6218 3.6218 3.9313 3.9313 4.4438 4.4438 4.5192 4.5192 k = 0.3500-0.0000-0.0000 ( 9648 PWs) bands (ev): -46.6167 -46.6167 -45.9033 -45.9033 -45.7387 -45.7387 -25.8497 -25.8497 -25.2287 -25.2287 -25.0540 -25.0540 -24.1655 -24.1655 -23.9731 -23.9731 -23.5878 -23.5878 -23.5242 -23.5242 -23.3322 -23.3322 -22.8309 -22.8309 -5.7412 -5.7412 -5.4600 -5.4600 -5.2911 -5.2911 -5.1837 -5.1837 -5.0190 -5.0190 -4.8710 -4.8710 -4.6517 -4.6517 -4.4772 -4.4772 -4.4217 -4.4217 -4.3818 -4.3818 -0.5947 -0.5947 1.8590 1.8590 2.4543 2.4543 2.5311 2.5311 2.5951 2.5951 2.7707 2.7707 2.9547 2.9547 3.2146 3.2146 3.3132 3.3132 3.6176 3.6176 3.6751 3.6751 3.8608 3.8608 4.4296 4.4296 4.4520 4.4520 k = 0.3667-0.0000-0.0000 ( 9648 PWs) bands (ev): -46.6167 -46.6167 -45.8956 -45.8956 -45.7467 -45.7467 -25.8500 -25.8500 -25.2143 -25.2143 -25.0565 -25.0565 -24.1659 -24.1659 -23.9737 -23.9737 -23.5605 -23.5605 -23.5187 -23.5187 -23.3366 -23.3366 -22.8774 -22.8774 -5.7320 -5.7320 -5.4587 -5.4587 -5.2897 -5.2897 -5.1834 -5.1834 -5.0101 -5.0101 -4.8691 -4.8691 -4.6516 -4.6516 -4.4771 -4.4771 -4.4216 -4.4216 -4.3813 -4.3813 -0.5429 -0.5429 1.8061 1.8061 2.4559 2.4559 2.5657 2.5657 2.5869 2.5869 2.8043 2.8043 3.0249 3.0249 3.2535 3.2535 3.3630 3.3630 3.6382 3.6382 3.7512 3.7512 3.7912 3.7912 4.3695 4.3695 4.4300 4.4301 k = 0.3833-0.0000-0.0000 ( 9656 PWs) bands (ev): -46.6166 -46.6166 -45.8879 -45.8879 -45.7547 -45.7547 -25.8503 -25.8503 -25.2006 -25.2006 -25.0594 -25.0594 -24.1663 -24.1663 -23.9742 -23.9742 -23.5324 -23.5324 -23.5129 -23.5129 -23.3402 -23.3402 -22.9240 -22.9240 -5.7238 -5.7238 -5.4575 -5.4575 -5.2885 -5.2885 -5.1833 -5.1833 -5.0018 -5.0018 -4.8673 -4.8673 -4.6516 -4.6516 -4.4769 -4.4769 -4.4215 -4.4215 -4.3808 -4.3808 -0.4922 -0.4922 1.7461 1.7461 2.4550 2.4550 2.5567 2.5567 2.6233 2.6233 2.8401 2.8401 3.1000 3.1000 3.2944 3.2944 3.4093 3.4093 3.6537 3.6537 3.7226 3.7226 3.8513 3.8513 4.3005 4.3005 4.3668 4.3668 k = 0.4000-0.0000-0.0000 ( 9660 PWs) bands (ev): -46.6166 -46.6166 -45.8800 -45.8800 -45.7628 -45.7628 -25.8506 -25.8506 -25.1877 -25.1877 -25.0627 -25.0627 -24.1667 -24.1667 -23.9747 -23.9747 -23.5107 -23.5107 -23.5003 -23.5003 -23.3424 -23.3424 -22.9706 -22.9706 -5.7167 -5.7167 -5.4564 -5.4564 -5.2875 -5.2875 -5.1831 -5.1831 -4.9943 -4.9943 -4.8657 -4.8657 -4.6515 -4.6515 -4.4768 -4.4768 -4.4214 -4.4214 -4.3804 -4.3804 -0.4435 -0.4435 1.6839 1.6839 2.4526 2.4526 2.5418 2.5418 2.6664 2.6664 2.8772 2.8772 3.1785 3.1785 3.3359 3.3359 3.4501 3.4501 3.6363 3.6363 3.6882 3.6882 3.9691 3.9691 4.2337 4.2337 4.2820 4.2820 k = 0.4167-0.0000-0.0000 ( 9652 PWs) bands (ev): -46.6166 -46.6166 -45.8722 -45.8722 -45.7708 -45.7708 -25.8509 -25.8509 -25.1758 -25.1758 -25.0662 -25.0662 -24.1670 -24.1670 -23.9750 -23.9750 -23.5047 -23.5047 -23.4729 -23.4729 -23.3422 -23.3422 -23.0168 -23.0168 -5.7105 -5.7105 -5.4555 -5.4555 -5.2865 -5.2865 -5.1829 -5.1829 -4.9877 -4.9877 -4.8643 -4.8643 -4.6515 -4.6515 -4.4767 -4.4767 -4.4213 -4.4213 -4.3799 -4.3799 -0.3983 -0.3983 1.6237 1.6237 2.4493 2.4493 2.5285 2.5285 2.7077 2.7077 2.9148 2.9148 3.2591 3.2591 3.3769 3.3769 3.4840 3.4840 3.5773 3.5773 3.6975 3.6975 4.1027 4.1027 4.1694 4.1694 4.1962 4.1962 k = 0.4333-0.0000-0.0000 ( 9640 PWs) bands (ev): -46.6165 -46.6165 -45.8646 -45.8646 -45.7785 -45.7785 -25.8511 -25.8511 -25.1651 -25.1651 -25.0699 -25.0699 -24.1672 -24.1672 -23.9754 -23.9754 -23.5003 -23.5003 -23.4468 -23.4468 -23.3376 -23.3376 -23.0625 -23.0625 -5.7054 -5.7054 -5.4547 -5.4547 -5.2858 -5.2858 -5.1828 -5.1828 -4.9821 -4.9821 -4.8630 -4.8630 -4.6514 -4.6514 -4.4766 -4.4766 -4.4212 -4.4212 -4.3796 -4.3796 -0.3580 -0.3580 1.5691 1.5691 2.4456 2.4456 2.5176 2.5176 2.7449 2.7449 2.9529 2.9529 3.3388 3.3388 3.4175 3.4175 3.4887 3.4887 3.5417 3.5417 3.7096 3.7096 4.0951 4.0951 4.1222 4.1222 4.2505 4.2505 k = 0.4500-0.0000-0.0000 ( 9620 PWs) bands (ev): -46.6165 -46.6165 -45.8575 -45.8575 -45.7857 -45.7857 -25.8512 -25.8512 -25.1560 -25.1560 -25.0736 -25.0736 -24.1674 -24.1674 -23.9756 -23.9756 -23.4968 -23.4968 -23.4261 -23.4261 -23.3253 -23.3253 -23.1072 -23.1072 -5.7014 -5.7014 -5.4541 -5.4541 -5.2852 -5.2852 -5.1826 -5.1826 -4.9776 -4.9776 -4.8620 -4.8620 -4.6513 -4.6513 -4.4764 -4.4764 -4.4211 -4.4211 -4.3792 -4.3792 -0.3242 -0.3242 1.5231 1.5231 2.4421 2.4421 2.5092 2.5092 2.7761 2.7761 2.9909 2.9909 3.4066 3.4066 3.4396 3.4396 3.4659 3.4659 3.5606 3.5606 3.7199 3.7199 4.0065 4.0065 4.0706 4.0706 4.3910 4.3910 k = 0.4667-0.0000-0.0000 ( 9614 PWs) bands (ev): -46.6165 -46.6165 -45.8513 -45.8513 -45.7920 -45.7920 -25.8513 -25.8513 -25.1487 -25.1487 -25.0768 -25.0768 -24.1676 -24.1676 -23.9758 -23.9758 -23.4942 -23.4942 -23.4133 -23.4133 -23.3035 -23.3035 -23.1505 -23.1505 -5.6985 -5.6985 -5.4536 -5.4536 -5.2848 -5.2848 -5.1826 -5.1826 -4.9744 -4.9744 -4.8613 -4.8613 -4.6513 -4.6513 -4.4763 -4.4763 -4.4211 -4.4211 -4.3791 -4.3791 -0.2986 -0.2986 1.4881 1.4881 2.4393 2.4393 2.5033 2.5033 2.7995 2.7995 3.0268 3.0268 3.3866 3.3866 3.4485 3.4485 3.5337 3.5337 3.5858 3.5858 3.7274 3.7274 3.9164 3.9164 4.0311 4.0311 4.3924 4.3924 k = 0.4833-0.0000-0.0000 ( 9614 PWs) bands (ev): -46.6165 -46.6165 -45.8468 -45.8468 -45.7966 -45.7966 -25.8514 -25.8514 -25.1440 -25.1440 -25.0791 -25.0791 -24.1677 -24.1677 -23.9759 -23.9759 -23.4925 -23.4925 -23.4073 -23.4073 -23.2741 -23.2741 -23.1912 -23.1912 -5.6968 -5.6968 -5.4533 -5.4533 -5.2845 -5.2845 -5.1825 -5.1825 -4.9725 -4.9725 -4.8609 -4.8609 -4.6513 -4.6513 -4.4763 -4.4763 -4.4211 -4.4211 -4.3789 -4.3789 -0.2826 -0.2826 1.4662 1.4662 2.4374 2.4374 2.4997 2.4997 2.8140 2.8140 3.0552 3.0552 3.3483 3.3483 3.4676 3.4676 3.5872 3.5872 3.6288 3.6288 3.7311 3.7311 3.8304 3.8304 4.0053 4.0053 4.3900 4.3900 k = 0.5000-0.0000-0.0000 ( 9610 PWs) bands (ev): -46.6164 -46.6164 -45.8451 -45.8451 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6962 -5.6962 -5.4532 -5.4532 -5.2844 -5.2844 -5.1825 -5.1825 -4.9718 -4.9718 -4.8608 -4.8608 -4.6513 -4.6513 -4.4763 -4.4763 -4.4211 -4.4211 -4.3789 -4.3789 -0.2771 -0.2771 1.4588 1.4588 2.4368 2.4368 2.4986 2.4986 2.8189 2.8189 3.0667 3.0667 3.3334 3.3334 3.4737 3.4737 3.5973 3.5973 3.6797 3.6797 3.7276 3.7276 3.7785 3.7785 3.9963 3.9963 4.3891 4.3891 k = 0.5000-0.0000-0.0000 ( 9610 PWs) bands (ev): -46.6164 -46.6164 -45.8451 -45.8451 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6962 -5.6962 -5.4532 -5.4532 -5.2844 -5.2844 -5.1825 -5.1825 -4.9718 -4.9718 -4.8608 -4.8608 -4.6513 -4.6513 -4.4763 -4.4763 -4.4211 -4.4211 -4.3789 -4.3789 -0.2771 -0.2771 1.4588 1.4588 2.4368 2.4368 2.4986 2.4986 2.8189 2.8189 3.0667 3.0667 3.3334 3.3334 3.4737 3.4737 3.5973 3.5973 3.6797 3.6797 3.7276 3.7276 3.7785 3.7785 3.9963 3.9963 4.3891 4.3891 k = 0.5000 0.0163-0.0000 ( 9614 PWs) bands (ev): -46.6164 -46.6164 -45.8451 -45.8451 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6961 -5.6961 -5.4531 -5.4531 -5.2841 -5.2841 -5.1825 -5.1825 -4.9719 -4.9719 -4.8608 -4.8608 -4.6513 -4.6513 -4.4763 -4.4763 -4.4212 -4.4212 -4.3793 -4.3793 -0.2760 -0.2760 1.4596 1.4596 2.4324 2.4324 2.4867 2.4867 2.8190 2.8190 3.0818 3.0818 3.3338 3.3338 3.4739 3.4739 3.5975 3.5975 3.6788 3.6788 3.7277 3.7277 3.7791 3.7791 3.9976 3.9976 4.3883 4.3883 k = 0.5000 0.0325-0.0000 ( 9618 PWs) bands (ev): -46.6165 -46.6165 -45.8451 -45.8451 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6959 -5.6959 -5.4528 -5.4528 -5.2832 -5.2832 -5.1824 -5.1824 -4.9722 -4.9722 -4.8607 -4.8607 -4.6514 -4.6514 -4.4763 -4.4763 -4.4218 -4.4218 -4.3803 -4.3803 -0.2726 -0.2726 1.4623 1.4623 2.4076 2.4076 2.4672 2.4672 2.8194 2.8194 3.1224 3.1224 3.3350 3.3350 3.4743 3.4743 3.5982 3.5982 3.6760 3.6760 3.7277 3.7277 3.7806 3.7806 4.0016 4.0016 4.3861 4.3861 k = 0.5000 0.0488-0.0000 ( 9622 PWs) bands (ev): -46.6165 -46.6165 -45.8451 -45.8451 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6955 -5.6955 -5.4522 -5.4522 -5.2816 -5.2816 -5.1822 -5.1822 -4.9726 -4.9726 -4.8605 -4.8605 -4.6515 -4.6515 -4.4763 -4.4763 -4.4227 -4.4227 -4.3820 -4.3820 -0.2669 -0.2669 1.4666 1.4666 2.3509 2.3509 2.4607 2.4607 2.8202 2.8202 3.1795 3.1795 3.3370 3.3370 3.4750 3.4750 3.5993 3.5993 3.6719 3.6719 3.7276 3.7276 3.7833 3.7833 4.0080 4.0080 4.3823 4.3823 k = 0.5000 0.0650-0.0000 ( 9628 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6950 -5.6950 -5.4514 -5.4514 -5.2794 -5.2794 -5.1820 -5.1820 -4.9732 -4.9732 -4.8603 -4.8603 -4.6517 -4.6517 -4.4764 -4.4764 -4.4239 -4.4239 -4.3845 -4.3845 -0.2590 -0.2590 1.4726 1.4726 2.2763 2.2763 2.4605 2.4605 2.8213 2.8213 3.2452 3.2452 3.3396 3.3396 3.4761 3.4761 3.6010 3.6010 3.6668 3.6668 3.7270 3.7270 3.7870 3.7870 4.0167 4.0167 4.3772 4.3772 k = 0.5000 0.0813-0.0000 ( 9638 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6944 -5.6944 -5.4504 -5.4504 -5.2766 -5.2766 -5.1817 -5.1817 -4.9741 -4.9741 -4.8601 -4.8601 -4.6518 -4.6518 -4.4764 -4.4764 -4.4254 -4.4254 -4.3876 -4.3876 -0.2488 -0.2488 1.4802 1.4802 2.1930 2.1930 2.4626 2.4626 2.8228 2.8228 3.3143 3.3143 3.3430 3.3430 3.4776 3.4776 3.6034 3.6034 3.6613 3.6613 3.7258 3.7258 3.7920 3.7920 4.0274 4.0274 4.3707 4.3707 k = 0.5000 0.0975-0.0000 ( 9638 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6936 -5.6936 -5.4491 -5.4491 -5.2732 -5.2732 -5.1813 -5.1813 -4.9751 -4.9751 -4.8598 -4.8598 -4.6520 -4.6520 -4.4765 -4.4765 -4.4272 -4.4272 -4.3913 -4.3913 -0.2363 -0.2363 1.4893 1.4893 2.1050 2.1050 2.4659 2.4659 2.8245 2.8245 3.3461 3.3461 3.3840 3.3840 3.4798 3.4798 3.6067 3.6067 3.6557 3.6557 3.7241 3.7241 3.7980 3.7980 4.0399 4.0399 4.3630 4.3630 k = 0.5000 0.1138-0.0000 ( 9642 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6927 -5.6927 -5.4477 -5.4477 -5.2691 -5.2691 -5.1809 -5.1809 -4.9763 -4.9763 -4.8595 -4.8595 -4.6521 -4.6521 -4.4765 -4.4765 -4.4293 -4.4293 -4.3957 -4.3957 -0.2216 -0.2216 1.4998 1.4998 2.0144 2.0144 2.4699 2.4699 2.8266 2.8266 3.3500 3.3500 3.4483 3.4483 3.4845 3.4845 3.6119 3.6119 3.6505 3.6505 3.7218 3.7218 3.8051 3.8051 4.0538 4.0538 4.3542 4.3542 k = 0.5000 0.1301-0.0000 ( 9654 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6918 -5.6918 -5.4462 -5.4462 -5.2646 -5.2646 -5.1805 -5.1805 -4.9777 -4.9777 -4.8592 -4.8592 -4.6522 -4.6522 -4.4767 -4.4767 -4.4316 -4.4316 -4.4005 -4.4005 -0.2046 -0.2046 1.5115 1.5115 1.9226 1.9226 2.4747 2.4747 2.8289 2.8289 3.3536 3.3536 3.4788 3.4788 3.5170 3.5170 3.6214 3.6214 3.6464 3.6464 3.7193 3.7193 3.8133 3.8133 4.0689 4.0689 4.3445 4.3445 k = 0.5000 0.1463-0.0000 ( 9650 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6908 -5.6908 -5.4445 -5.4445 -5.2595 -5.2595 -5.1800 -5.1800 -4.9793 -4.9793 -4.8587 -4.8587 -4.6523 -4.6523 -4.4767 -4.4767 -4.4342 -4.4342 -4.4057 -4.4057 -0.1853 -0.1853 1.5242 1.5242 1.8307 1.8307 2.4799 2.4799 2.8314 2.8314 3.3570 3.3570 3.4838 3.4838 3.5605 3.5605 3.6377 3.6377 3.6485 3.6485 3.7169 3.7169 3.8224 3.8224 4.0850 4.0850 4.3341 4.3341 k = 0.5000 0.1626-0.0000 ( 9646 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6897 -5.6897 -5.4427 -5.4427 -5.2539 -5.2539 -5.1795 -5.1795 -4.9812 -4.9812 -4.8583 -4.8583 -4.6522 -4.6522 -4.4768 -4.4768 -4.4368 -4.4368 -4.4114 -4.4114 -0.1639 -0.1639 1.5376 1.5376 1.7395 1.7395 2.4856 2.4856 2.8340 2.8340 3.3596 3.3596 3.4875 3.4875 3.5836 3.5836 3.6392 3.6392 3.6830 3.6830 3.7173 3.7173 3.8324 3.8324 4.1017 4.1017 4.3230 4.3230 k = 0.5000 0.1788-0.0000 ( 9656 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6886 -5.6886 -5.4409 -5.4409 -5.2479 -5.2479 -5.1789 -5.1789 -4.9832 -4.9832 -4.8579 -4.8579 -4.6521 -4.6521 -4.4769 -4.4769 -4.4397 -4.4397 -4.4175 -4.4175 -0.1402 -0.1402 1.5503 1.5503 1.6506 1.6506 2.4916 2.4916 2.8368 2.8368 3.3613 3.3613 3.4913 3.4913 3.5941 3.5941 3.6393 3.6393 3.7030 3.7030 3.7449 3.7449 3.8430 3.8430 4.1190 4.1190 4.3115 4.3115 k = 0.5000 0.1951-0.0000 ( 9656 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6875 -5.6875 -5.4390 -5.4390 -5.2415 -5.2415 -5.1784 -5.1784 -4.9855 -4.9855 -4.8574 -4.8574 -4.6518 -4.6518 -4.4770 -4.4770 -4.4426 -4.4426 -4.4238 -4.4238 -0.1143 -0.1143 1.5424 1.5424 1.5841 1.5841 2.4978 2.4978 2.8398 2.8398 3.3620 3.3620 3.4953 3.4953 3.5999 3.5999 3.6413 3.6413 3.7029 3.7029 3.7941 3.7941 3.8543 3.8543 4.1364 4.1364 4.2997 4.2997 k = 0.5000 0.2113-0.0000 ( 9648 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6864 -5.6864 -5.4370 -5.4370 -5.2348 -5.2348 -5.1778 -5.1778 -4.9880 -4.9880 -4.8569 -4.8569 -4.6514 -4.6514 -4.4771 -4.4771 -4.4456 -4.4456 -4.4303 -4.4303 -0.0863 -0.0863 1.4654 1.4654 1.5888 1.5888 2.5041 2.5041 2.8427 2.8427 3.3614 3.3614 3.4994 3.4994 3.6037 3.6037 3.6452 3.6452 3.7019 3.7019 3.8430 3.8430 3.8663 3.8663 4.1539 4.1539 4.2879 4.2879 k = 0.5000 0.2276-0.0000 ( 9648 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6853 -5.6853 -5.4352 -5.4352 -5.2279 -5.2279 -5.1772 -5.1772 -4.9907 -4.9907 -4.8564 -4.8564 -4.6509 -4.6509 -4.4772 -4.4772 -4.4486 -4.4486 -4.4369 -4.4369 -0.0562 -0.0562 1.3808 1.3808 1.6033 1.6033 2.5104 2.5104 2.8457 2.8457 3.3597 3.3597 3.5035 3.5035 3.6062 3.6062 3.6503 3.6503 3.7028 3.7028 3.8762 3.8762 3.8915 3.8915 4.1712 4.1712 4.2761 4.2761 k = 0.5000 0.2439-0.0000 ( 9646 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6842 -5.6842 -5.4333 -5.4333 -5.2208 -5.2208 -5.1767 -5.1767 -4.9935 -4.9935 -4.8559 -4.8559 -4.6503 -4.6503 -4.4773 -4.4773 -4.4516 -4.4516 -4.4434 -4.4434 -0.0241 -0.0241 1.2975 1.2975 1.6185 1.6185 2.5167 2.5167 2.8487 2.8487 3.3570 3.3570 3.5075 3.5075 3.6078 3.6078 3.6547 3.6547 3.7079 3.7079 3.8888 3.8888 3.9340 3.9340 4.1881 4.1881 4.2647 4.2647 k = 0.5000 0.2601-0.0000 ( 9650 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6833 -5.6833 -5.4315 -5.4315 -5.2137 -5.2137 -5.1762 -5.1762 -4.9965 -4.9965 -4.8554 -4.8554 -4.6495 -4.6495 -4.4774 -4.4774 -4.4545 -4.4545 -4.4499 -4.4499 0.0099 0.0099 1.2166 1.2166 1.6337 1.6337 2.5228 2.5228 2.8516 2.8516 3.3535 3.3535 3.5114 3.5114 3.6089 3.6089 3.6567 3.6567 3.7188 3.7188 3.9004 3.9004 3.9736 3.9736 4.2043 4.2043 4.2537 4.2537 k = 0.5000 0.2764-0.0000 ( 9642 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6823 -5.6823 -5.4298 -5.4298 -5.2067 -5.2067 -5.1757 -5.1757 -4.9995 -4.9995 -4.8550 -4.8550 -4.6486 -4.6486 -4.4775 -4.4775 -4.4574 -4.4574 -4.4560 -4.4560 0.0454 0.0454 1.1385 1.1385 1.6483 1.6483 2.5285 2.5285 2.8544 2.8544 3.3494 3.3494 3.5150 3.5150 3.6095 3.6095 3.6563 3.6563 3.7353 3.7353 3.9116 3.9116 4.0094 4.0094 4.2198 4.2198 4.2432 4.2432 k = 0.5000 0.2926-0.0000 ( 9652 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6815 -5.6815 -5.4283 -5.4283 -5.2000 -5.2000 -5.1753 -5.1753 -5.0027 -5.0027 -4.8546 -4.8546 -4.6478 -4.6478 -4.4778 -4.4778 -4.4622 -4.4622 -4.4596 -4.4596 0.0824 0.0824 1.0637 1.0637 1.6620 1.6620 2.5339 2.5339 2.8570 2.8570 3.3450 3.3450 3.5184 3.5184 3.6098 3.6098 3.6545 3.6545 3.7561 3.7561 3.9220 3.9220 4.0415 4.0415 4.2332 4.2332 4.2345 4.2345 k = 0.5000 0.3089-0.0000 ( 9658 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6807 -5.6807 -5.4270 -5.4270 -5.1936 -5.1936 -5.1748 -5.1748 -5.0057 -5.0057 -4.8542 -4.8542 -4.6468 -4.6468 -4.4781 -4.4781 -4.4674 -4.4674 -4.4620 -4.4620 0.1202 0.1202 0.9929 0.9929 1.6746 1.6746 2.5388 2.5388 2.8594 2.8594 3.3406 3.3406 3.5215 3.5215 3.6098 3.6098 3.6520 3.6520 3.7799 3.7799 3.9316 3.9316 4.0696 4.0696 4.2247 4.2247 4.2475 4.2475 k = 0.5000 0.3252-0.0000 ( 9662 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6801 -5.6801 -5.4258 -5.4258 -5.1878 -5.1878 -5.1745 -5.1745 -5.0087 -5.0087 -4.8539 -4.8539 -4.6459 -4.6459 -4.4787 -4.4787 -4.4718 -4.4718 -4.4641 -4.4641 0.1583 0.1583 0.9267 0.9267 1.6857 1.6857 2.5431 2.5431 2.8616 2.8616 3.3364 3.3364 3.5244 3.5244 3.6096 3.6096 3.6494 3.6494 3.8054 3.8054 3.9400 3.9400 4.0939 4.0939 4.2169 4.2169 4.2594 4.2594 k = 0.5000 0.3414-0.0000 ( 9668 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6795 -5.6795 -5.4248 -5.4248 -5.1828 -5.1828 -5.1741 -5.1741 -5.0113 -5.0113 -4.8536 -4.8536 -4.6450 -4.6450 -4.4800 -4.4800 -4.4747 -4.4747 -4.4659 -4.4659 0.1954 0.1954 0.8665 0.8665 1.6952 1.6952 2.5467 2.5467 2.8634 2.8634 3.3326 3.3326 3.5268 3.5268 3.6093 3.6093 3.6470 3.6470 3.8313 3.8313 3.9471 3.9471 4.1141 4.1141 4.2101 4.2101 4.2700 4.2700 k = 0.5000 0.3577-0.0000 ( 9678 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6791 -5.6791 -5.4240 -5.4240 -5.1786 -5.1786 -5.1738 -5.1738 -5.0136 -5.0136 -4.8534 -4.8534 -4.6443 -4.6443 -4.4822 -4.4822 -4.4760 -4.4760 -4.4674 -4.4674 0.2299 0.2299 0.8140 0.8140 1.7028 1.7028 2.5497 2.5497 2.8649 2.8649 3.3295 3.3295 3.5289 3.5289 3.6089 3.6089 3.6450 3.6450 3.8557 3.8557 3.9527 3.9527 4.1304 4.1304 4.2043 4.2043 4.2793 4.2793 k = 0.5000 0.3739-0.0000 ( 9688 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6789 -5.6789 -5.4234 -5.4234 -5.1759 -5.1759 -5.1733 -5.1733 -5.0153 -5.0153 -4.8533 -4.8533 -4.6437 -4.6437 -4.4844 -4.4844 -4.4765 -4.4765 -4.4684 -4.4684 0.2591 0.2591 0.7719 0.7719 1.7084 1.7084 2.5518 2.5518 2.8660 2.8660 3.3271 3.3271 3.5305 3.5305 3.6085 3.6085 3.6435 3.6435 3.8765 3.8765 3.9567 3.9567 4.1424 4.1424 4.1998 4.1998 4.2873 4.2873 k = 0.5000 0.3902-0.0000 ( 9676 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6786 -5.6786 -5.4230 -5.4230 -5.1746 -5.1746 -5.1724 -5.1724 -5.0164 -5.0164 -4.8531 -4.8531 -4.6433 -4.6433 -4.4857 -4.4857 -4.4767 -4.4767 -4.4690 -4.4690 0.2792 0.2792 0.7441 0.7441 1.7118 1.7118 2.5531 2.5531 2.8667 2.8667 3.3256 3.3256 3.5314 3.5314 3.6083 3.6083 3.6427 3.6427 3.8907 3.8907 3.9590 3.9590 4.1500 4.1500 4.1967 4.1967 4.2934 4.2934 k = 0.5000 0.4064-0.0000 ( 9684 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6786 -5.6786 -5.4229 -5.4229 -5.1744 -5.1744 -5.1719 -5.1719 -5.0168 -5.0168 -4.8531 -4.8531 -4.6432 -4.6432 -4.4862 -4.4862 -4.4768 -4.4768 -4.4692 -4.4692 0.2864 0.2864 0.7342 0.7342 1.7129 1.7129 2.5535 2.5535 2.8669 2.8669 3.3251 3.3251 3.5318 3.5318 3.6082 3.6082 3.6424 3.6424 3.8959 3.8959 3.9597 3.9597 4.1526 4.1526 4.1956 4.1956 4.2959 4.2959 k = 0.5000 0.4064-0.0000 ( 9684 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6786 -5.6786 -5.4229 -5.4229 -5.1744 -5.1744 -5.1719 -5.1719 -5.0168 -5.0168 -4.8531 -4.8531 -4.6432 -4.6432 -4.4862 -4.4862 -4.4768 -4.4768 -4.4692 -4.4692 0.2864 0.2864 0.7342 0.7342 1.7129 1.7129 2.5535 2.5535 2.8669 2.8669 3.3251 3.3251 3.5318 3.5318 3.6082 3.6082 3.6424 3.6424 3.8959 3.8959 3.9597 3.9597 4.1526 4.1526 4.1956 4.1956 4.2959 4.2959 k = 0.4833 0.4064-0.0000 ( 9680 PWs) bands (ev): -46.6165 -46.6165 -45.8469 -45.8469 -45.7967 -45.7967 -25.8514 -25.8514 -25.1440 -25.1440 -25.0792 -25.0792 -24.1677 -24.1677 -23.9759 -23.9759 -23.4926 -23.4926 -23.4073 -23.4073 -23.2741 -23.2741 -23.1912 -23.1912 -5.6792 -5.6792 -5.4230 -5.4230 -5.1744 -5.1744 -5.1719 -5.1719 -5.0175 -5.0175 -4.8533 -4.8533 -4.6432 -4.6432 -4.4862 -4.4862 -4.4768 -4.4768 -4.4692 -4.4692 0.2782 0.2782 0.7338 0.7338 1.7234 1.7234 2.5537 2.5537 2.8661 2.8661 3.3102 3.3102 3.5264 3.5264 3.6157 3.6157 3.6430 3.6430 3.8942 3.8942 3.9483 3.9483 4.1481 4.1481 4.1991 4.1991 4.3071 4.3071 k = 0.4667 0.4064-0.0000 ( 9684 PWs) bands (ev): -46.6166 -46.6166 -45.8514 -45.8514 -45.7921 -45.7921 -25.8513 -25.8513 -25.1488 -25.1488 -25.0768 -25.0768 -24.1676 -24.1676 -23.9758 -23.9758 -23.4942 -23.4942 -23.4133 -23.4133 -23.3035 -23.3035 -23.1505 -23.1505 -5.6810 -5.6810 -5.4233 -5.4233 -5.1744 -5.1744 -5.1719 -5.1719 -5.0196 -5.0196 -4.8538 -4.8538 -4.6433 -4.6433 -4.4862 -4.4862 -4.4768 -4.4768 -4.4692 -4.4692 0.2543 0.2543 0.7324 0.7324 1.7539 1.7539 2.5542 2.5542 2.8637 2.8637 3.2711 3.2711 3.5117 3.5117 3.6192 3.6192 3.6572 3.6572 3.8856 3.8856 3.9201 3.9201 4.1392 4.1392 4.2080 4.2080 4.3373 4.3373 k = 0.4500 0.4064-0.0000 ( 9676 PWs) bands (ev): -46.6166 -46.6166 -45.8576 -45.8576 -45.7858 -45.7858 -25.8512 -25.8512 -25.1560 -25.1560 -25.0736 -25.0736 -24.1674 -24.1674 -23.9756 -23.9756 -23.4968 -23.4968 -23.4261 -23.4261 -23.3253 -23.3253 -23.1072 -23.1072 -5.6840 -5.6840 -5.4237 -5.4237 -5.1744 -5.1744 -5.1719 -5.1719 -5.0230 -5.0230 -4.8545 -4.8545 -4.6433 -4.6433 -4.4861 -4.4861 -4.4769 -4.4769 -4.4691 -4.4691 0.2170 0.2170 0.7302 0.7302 1.8015 1.8015 2.5548 2.5548 2.8602 2.8602 3.2177 3.2177 3.4895 3.4895 3.6082 3.6082 3.6847 3.6847 3.8493 3.8493 3.9006 3.9006 4.1333 4.1333 4.2209 4.2209 4.3796 4.3796 k = 0.4333 0.4064-0.0000 ( 9682 PWs) bands (ev): -46.6166 -46.6166 -45.8647 -45.8647 -45.7785 -45.7785 -25.8511 -25.8511 -25.1651 -25.1651 -25.0699 -25.0699 -24.1672 -24.1672 -23.9754 -23.9754 -23.5004 -23.5004 -23.4468 -23.4468 -23.3376 -23.3376 -23.0625 -23.0625 -5.6882 -5.6882 -5.4243 -5.4243 -5.1745 -5.1745 -5.1719 -5.1719 -5.0278 -5.0278 -4.8556 -4.8556 -4.6434 -4.6434 -4.4860 -4.4860 -4.4770 -4.4770 -4.4691 -4.4691 0.1692 0.1692 0.7270 0.7270 1.8624 1.8624 2.5554 2.5554 2.8560 2.8560 3.1566 3.1566 3.4613 3.4613 3.5907 3.5907 3.7095 3.7095 3.7857 3.7857 3.8929 3.8929 4.1354 4.1354 4.2358 4.2358 4.3168 4.3168 k = 0.4167 0.4064-0.0000 ( 9688 PWs) bands (ev): -46.6166 -46.6166 -45.8723 -45.8723 -45.7708 -45.7708 -25.8509 -25.8509 -25.1758 -25.1758 -25.0662 -25.0662 -24.1670 -24.1670 -23.9750 -23.9750 -23.5047 -23.5047 -23.4730 -23.4730 -23.3422 -23.3422 -23.0169 -23.0169 -5.6936 -5.6936 -5.4251 -5.4251 -5.1746 -5.1746 -5.1719 -5.1719 -5.0339 -5.0339 -4.8570 -4.8570 -4.6435 -4.6435 -4.4859 -4.4859 -4.4771 -4.4771 -4.4691 -4.4691 0.1137 0.1137 0.7230 0.7230 1.9315 1.9315 2.5555 2.5555 2.8522 2.8522 3.0915 3.0915 3.4292 3.4292 3.5692 3.5692 3.6926 3.6926 3.7400 3.7400 3.8864 3.8864 4.1476 4.1476 4.2058 4.2058 4.2625 4.2625 k = 0.4000 0.4064-0.0000 ( 9680 PWs) bands (ev): -46.6166 -46.6166 -45.8801 -45.8801 -45.7628 -45.7628 -25.8506 -25.8506 -25.1877 -25.1877 -25.0627 -25.0627 -24.1667 -24.1667 -23.9746 -23.9746 -23.5107 -23.5107 -23.5003 -23.5003 -23.3424 -23.3424 -22.9706 -22.9706 -5.7001 -5.7001 -5.4259 -5.4259 -5.1746 -5.1746 -5.1718 -5.1718 -5.0410 -5.0410 -4.8586 -4.8586 -4.6436 -4.6436 -4.4858 -4.4858 -4.4773 -4.4773 -4.4690 -4.4690 0.0532 0.0532 0.7181 0.7181 2.0035 2.0035 2.5547 2.5547 2.8501 2.8501 3.0244 3.0244 3.3952 3.3952 3.5447 3.5447 3.6024 3.6024 3.7482 3.7482 3.8787 3.8787 4.1241 4.1241 4.1716 4.1716 4.2804 4.2804 k = 0.3833 0.4064-0.0000 ( 9672 PWs) bands (ev): -46.6167 -46.6167 -45.8879 -45.8879 -45.7547 -45.7547 -25.8504 -25.8504 -25.2006 -25.2006 -25.0594 -25.0594 -24.1663 -24.1663 -23.9742 -23.9742 -23.5324 -23.5324 -23.5129 -23.5129 -23.3402 -23.3402 -22.9240 -22.9240 -5.7076 -5.7076 -5.4270 -5.4270 -5.1746 -5.1746 -5.1718 -5.1718 -5.0492 -5.0492 -4.8604 -4.8604 -4.6438 -4.6438 -4.4857 -4.4857 -4.4774 -4.4774 -4.4689 -4.4689 -0.0102 -0.0102 0.7125 0.7125 2.0720 2.0720 2.5525 2.5525 2.8515 2.8515 2.9567 2.9567 3.3612 3.3612 3.5003 3.5003 3.5208 3.5208 3.7545 3.7545 3.8685 3.8685 4.0613 4.0613 4.2023 4.2023 4.3015 4.3015 k = 0.3667 0.4064-0.0000 ( 9646 PWs) bands (ev): -46.6167 -46.6167 -45.8956 -45.8956 -45.7467 -45.7467 -25.8500 -25.8500 -25.2143 -25.2143 -25.0565 -25.0565 -24.1659 -24.1659 -23.9737 -23.9737 -23.5605 -23.5605 -23.5187 -23.5187 -23.3366 -23.3366 -22.8774 -22.8774 -5.7161 -5.7161 -5.4281 -5.4281 -5.1746 -5.1746 -5.1717 -5.1717 -5.0582 -5.0582 -4.8624 -4.8624 -4.6439 -4.6439 -4.4855 -4.4855 -4.4775 -4.4775 -4.4687 -4.4687 -0.0748 -0.0748 0.7062 0.7062 2.1293 2.1293 2.5483 2.5483 2.8571 2.8571 2.8903 2.8903 3.3287 3.3287 3.4052 3.4052 3.4920 3.4920 3.7577 3.7577 3.8545 3.8545 4.0148 4.0148 4.2388 4.2388 4.3228 4.3228 k = 0.3500 0.4064-0.0000 ( 9640 PWs) bands (ev): -46.6167 -46.6167 -45.9033 -45.9033 -45.7387 -45.7387 -25.8497 -25.8497 -25.2287 -25.2287 -25.0540 -25.0540 -24.1655 -24.1655 -23.9731 -23.9731 -23.5878 -23.5878 -23.5243 -23.5243 -23.3322 -23.3322 -22.8309 -22.8309 -5.7257 -5.7257 -5.4294 -5.4294 -5.1747 -5.1747 -5.1716 -5.1716 -5.0679 -5.0679 -4.8646 -4.8646 -4.6440 -4.6440 -4.4853 -4.4853 -4.4777 -4.4777 -4.4686 -4.4686 -0.1394 -0.1394 0.6993 0.6993 2.1677 2.1677 2.5415 2.5415 2.8201 2.8201 2.8720 2.8720 3.2986 3.2986 3.3252 3.3252 3.4638 3.4638 3.7595 3.7595 3.8363 3.8363 3.9822 3.9822 4.2779 4.2779 4.3439 4.3439 k = 0.3333 0.4064-0.0000 ( 9640 PWs) bands (ev): -46.6167 -46.6167 -45.9109 -45.9109 -45.7308 -45.7308 -25.8493 -25.8493 -25.2437 -25.2437 -25.0518 -25.0518 -24.1650 -24.1650 -23.9725 -23.9725 -23.6138 -23.6138 -23.5298 -23.5298 -23.3273 -23.3273 -22.7848 -22.7848 -5.7362 -5.7362 -5.4308 -5.4308 -5.1748 -5.1748 -5.1716 -5.1716 -5.0783 -5.0783 -4.8669 -4.8669 -4.6442 -4.6442 -4.4851 -4.4851 -4.4780 -4.4780 -4.4685 -4.4685 -0.2031 -0.2031 0.6918 0.6918 2.1807 2.1807 2.5316 2.5316 2.7552 2.7552 2.8805 2.8805 3.2684 3.2684 3.2807 3.2807 3.4354 3.4354 3.7610 3.7610 3.8151 3.8151 3.9604 3.9604 4.3170 4.3170 4.3643 4.3643 k = 0.3167 0.4064-0.0000 ( 9652 PWs) bands (ev): -46.6168 -46.6168 -45.9182 -45.9182 -45.7231 -45.7231 -25.8489 -25.8489 -25.2591 -25.2591 -25.0499 -25.0499 -24.1645 -24.1645 -23.9719 -23.9719 -23.6383 -23.6383 -23.5354 -23.5354 -23.3222 -23.3222 -22.7394 -22.7394 -5.7476 -5.7476 -5.4323 -5.4323 -5.1749 -5.1749 -5.1716 -5.1716 -5.0892 -5.0892 -4.8695 -4.8695 -4.6444 -4.6444 -4.4850 -4.4850 -4.4782 -4.4782 -4.4684 -4.4684 -0.2652 -0.2652 0.6838 0.6838 2.1663 2.1663 2.5179 2.5179 2.6916 2.6916 2.8744 2.8744 3.2588 3.2588 3.2680 3.2680 3.4072 3.4072 3.7619 3.7619 3.7944 3.7944 3.9460 3.9460 4.3536 4.3536 4.3846 4.3846 k = 0.3000 0.4064-0.0000 ( 9644 PWs) bands (ev): -46.6169 -46.6169 -45.9253 -45.9253 -45.7156 -45.7156 -25.8485 -25.8485 -25.2748 -25.2748 -25.0484 -25.0484 -24.1640 -24.1640 -23.9712 -23.9712 -23.6612 -23.6612 -23.5409 -23.5409 -23.3169 -23.3169 -22.6947 -22.6947 -5.7596 -5.7596 -5.4339 -5.4339 -5.1750 -5.1750 -5.1715 -5.1715 -5.1003 -5.1003 -4.8720 -4.8720 -4.6445 -4.6445 -4.4848 -4.4848 -4.4785 -4.4785 -4.4683 -4.4683 -0.3252 -0.3252 0.6754 0.6754 2.1267 2.1267 2.5002 2.5002 2.6302 2.6302 2.8496 2.8496 3.2469 3.2469 3.3118 3.3118 3.3797 3.3797 3.7566 3.7566 3.7825 3.7825 3.9364 3.9364 4.3837 4.3837 4.4074 4.4074 k = 0.2833 0.4064-0.0000 ( 9644 PWs) bands (ev): -46.6169 -46.6169 -45.9322 -45.9322 -45.7084 -45.7084 -25.8481 -25.8481 -25.2907 -25.2907 -25.0471 -25.0471 -24.1634 -24.1634 -23.9705 -23.9705 -23.6825 -23.6825 -23.5463 -23.5463 -23.3116 -23.3116 -22.6511 -22.6511 -5.7722 -5.7722 -5.4355 -5.4355 -5.1751 -5.1751 -5.1715 -5.1715 -5.1116 -5.1116 -4.8746 -4.8746 -4.6447 -4.6447 -4.4846 -4.4846 -4.4787 -4.4787 -4.4682 -4.4682 -0.3826 -0.3826 0.6668 0.6668 2.0673 2.0673 2.4783 2.4783 2.5715 2.5715 2.8153 2.8153 3.2407 3.2407 3.3514 3.3514 3.3898 3.3898 3.7432 3.7432 3.7847 3.7847 3.9300 3.9300 4.4043 4.4043 4.4347 4.4347 k = 0.2667 0.4064-0.0000 ( 9640 PWs) bands (ev): -46.6170 -46.6170 -45.9388 -45.9388 -45.7014 -45.7014 -25.8477 -25.8477 -25.3066 -25.3066 -25.0462 -25.0462 -24.1629 -24.1629 -23.9697 -23.9697 -23.7021 -23.7021 -23.5515 -23.5515 -23.3064 -23.3064 -22.6088 -22.6088 -5.7853 -5.7853 -5.4372 -5.4372 -5.1752 -5.1752 -5.1715 -5.1715 -5.1228 -5.1228 -4.8772 -4.8772 -4.6449 -4.6449 -4.4844 -4.4844 -4.4790 -4.4790 -4.4680 -4.4680 -0.4372 -0.4372 0.6580 0.6580 1.9938 1.9938 2.4520 2.4520 2.5167 2.5167 2.7800 2.7800 3.2406 3.2406 3.3258 3.3258 3.4786 3.4786 3.7354 3.7354 3.7932 3.7932 3.9263 3.9263 4.4192 4.4192 4.4622 4.4622 k = 0.2500 0.4064-0.0000 ( 9658 PWs) bands (ev): -46.6170 -46.6170 -45.9451 -45.9451 -45.6948 -45.6948 -25.8472 -25.8472 -25.3224 -25.3224 -25.0454 -25.0454 -24.1624 -24.1624 -23.9690 -23.9690 -23.7201 -23.7201 -23.5566 -23.5566 -23.3012 -23.3012 -22.5679 -22.5679 -5.7988 -5.7988 -5.4390 -5.4390 -5.1754 -5.1754 -5.1715 -5.1715 -5.1338 -5.1338 -4.8799 -4.8799 -4.6452 -4.6452 -4.4843 -4.4843 -4.4793 -4.4793 -4.4679 -4.4679 -0.4889 -0.4889 0.6492 0.6492 1.9118 1.9118 2.4205 2.4205 2.4672 2.4672 2.7472 2.7472 3.2457 3.2457 3.3008 3.3008 3.5546 3.5546 3.7505 3.7505 3.8066 3.8066 3.9256 3.9256 4.4312 4.4312 4.4869 4.4869 k = 0.2333 0.4064-0.0000 ( 9654 PWs) bands (ev): -46.6171 -46.6171 -45.9510 -45.9510 -45.6884 -45.6884 -25.8468 -25.8468 -25.3379 -25.3379 -25.0449 -25.0449 -24.1618 -24.1618 -23.9683 -23.9683 -23.7366 -23.7366 -23.5614 -23.5614 -23.2963 -23.2963 -22.5286 -22.5286 -5.8125 -5.8125 -5.4407 -5.4407 -5.1756 -5.1756 -5.1716 -5.1716 -5.1445 -5.1445 -4.8825 -4.8825 -4.6453 -4.6453 -4.4842 -4.4842 -4.4795 -4.4795 -4.4678 -4.4678 -0.5374 -0.5374 0.6403 0.6403 1.8256 1.8256 2.3827 2.3827 2.4252 2.4252 2.7176 2.7176 3.2546 3.2546 3.2781 3.2781 3.5889 3.5889 3.7939 3.7939 3.8380 3.8380 3.9324 3.9324 4.4412 4.4412 4.5080 4.5080 k = 0.2167 0.4064-0.0000 ( 9650 PWs) bands (ev): -46.6171 -46.6171 -45.9567 -45.9567 -45.6824 -45.6824 -25.8464 -25.8464 -25.3530 -25.3530 -25.0445 -25.0445 -24.1613 -24.1613 -23.9675 -23.9675 -23.7516 -23.7516 -23.5661 -23.5661 -23.2915 -23.2915 -22.4911 -22.4911 -5.8261 -5.8261 -5.4424 -5.4424 -5.1759 -5.1759 -5.1717 -5.1717 -5.1546 -5.1546 -4.8850 -4.8850 -4.6455 -4.6455 -4.4840 -4.4840 -4.4798 -4.4798 -4.4677 -4.4677 -0.5826 -0.5826 0.6316 0.6316 1.7385 1.7385 2.3405 2.3405 2.3898 2.3898 2.6912 2.6912 3.2506 3.2506 3.2735 3.2735 3.5909 3.5909 3.8178 3.8178 3.8897 3.8897 3.9791 3.9791 4.4495 4.4495 4.5254 4.5254 k = 0.2000 0.4064-0.0000 ( 9654 PWs) bands (ev): -46.6172 -46.6172 -45.9620 -45.9620 -45.6768 -45.6768 -25.8460 -25.8460 -25.3676 -25.3676 -25.0443 -25.0443 -24.1608 -24.1608 -23.9668 -23.9668 -23.7652 -23.7652 -23.5704 -23.5704 -23.2870 -23.2870 -22.4556 -22.4556 -5.8397 -5.8397 -5.4441 -5.4441 -5.1766 -5.1766 -5.1722 -5.1722 -5.1635 -5.1635 -4.8875 -4.8875 -4.6457 -4.6457 -4.4839 -4.4839 -4.4800 -4.4800 -4.4675 -4.4675 -0.6246 -0.6246 0.6231 0.6231 1.6529 1.6529 2.2977 2.2977 2.3579 2.3579 2.6675 2.6675 3.2306 3.2306 3.2894 3.2894 3.5815 3.5815 3.8329 3.8329 3.9054 3.9054 4.0875 4.0875 4.4563 4.4563 4.5392 4.5392 k = 0.1833 0.4064-0.0000 ( 9648 PWs) bands (ev): -46.6172 -46.6172 -45.9669 -45.9669 -45.6715 -45.6715 -25.8456 -25.8456 -25.3816 -25.3816 -25.0441 -25.0441 -24.1603 -24.1603 -23.9661 -23.9661 -23.7773 -23.7773 -23.5745 -23.5745 -23.2827 -23.2827 -22.4223 -22.4223 -5.8529 -5.8529 -5.4457 -5.4457 -5.1793 -5.1793 -5.1738 -5.1738 -5.1687 -5.1687 -4.8899 -4.8899 -4.6459 -4.6459 -4.4837 -4.4837 -4.4802 -4.4802 -4.4674 -4.4674 -0.6632 -0.6632 0.6149 0.6149 1.5705 1.5705 2.2568 2.2568 2.3280 2.3280 2.6464 2.6464 3.2109 3.2109 3.3089 3.3089 3.5688 3.5688 3.8455 3.8455 3.9126 3.9126 4.2130 4.2130 4.4620 4.4620 4.5499 4.5499 k = 0.1667 0.4064-0.0000 ( 9638 PWs) bands (ev): -46.6173 -46.6173 -45.9714 -45.9714 -45.6666 -45.6666 -25.8452 -25.8452 -25.3948 -25.3948 -25.0441 -25.0441 -24.1598 -24.1598 -23.9654 -23.9654 -23.7882 -23.7882 -23.5783 -23.5783 -23.2787 -23.2787 -22.3914 -22.3914 -5.8656 -5.8656 -5.4472 -5.4472 -5.1859 -5.1859 -5.1748 -5.1748 -5.1700 -5.1700 -4.8921 -4.8921 -4.6460 -4.6460 -4.4836 -4.4836 -4.4804 -4.4804 -4.4672 -4.4672 -0.6984 -0.6984 0.6071 0.6071 1.4928 1.4928 2.2185 2.2185 2.2999 2.2999 2.6274 2.6274 3.1926 3.1926 3.3301 3.3301 3.5556 3.5556 3.8555 3.8555 3.9206 3.9206 4.3416 4.3416 4.4667 4.4667 4.5576 4.5576 k = 0.1500 0.4064-0.0000 ( 9652 PWs) bands (ev): -46.6174 -46.6174 -45.9756 -45.9756 -45.6622 -45.6622 -25.8448 -25.8448 -25.4071 -25.4071 -25.0442 -25.0442 -24.1593 -24.1593 -23.9648 -23.9648 -23.7978 -23.7978 -23.5818 -23.5818 -23.2751 -23.2751 -22.3629 -22.3629 -5.8778 -5.8778 -5.4487 -5.4487 -5.1934 -5.1934 -5.1752 -5.1752 -5.1703 -5.1703 -4.8942 -4.8942 -4.6462 -4.6462 -4.4835 -4.4835 -4.4806 -4.4806 -4.4671 -4.4671 -0.7303 -0.7303 0.5998 0.5998 1.4205 1.4205 2.1833 2.1833 2.2735 2.2735 2.6105 2.6105 3.1757 3.1757 3.3523 3.3523 3.5428 3.5428 3.8627 3.8627 3.9310 3.9310 4.4626 4.4626 4.4764 4.4764 4.5630 4.5630 k = 0.1333 0.4064-0.0000 ( 9628 PWs) bands (ev): -46.6174 -46.6174 -45.9793 -45.9793 -45.6581 -45.6581 -25.8445 -25.8445 -25.4184 -25.4184 -25.0443 -25.0443 -24.1589 -24.1589 -23.9642 -23.9642 -23.8063 -23.8063 -23.5849 -23.5849 -23.2718 -23.2718 -22.3370 -22.3370 -5.8891 -5.8891 -5.4500 -5.4500 -5.2005 -5.2005 -5.1754 -5.1754 -5.1703 -5.1703 -4.8960 -4.8960 -4.6463 -4.6463 -4.4834 -4.4834 -4.4808 -4.4808 -4.4670 -4.4670 -0.7588 -0.7588 0.5930 0.5930 1.3545 1.3545 2.1515 2.1515 2.2493 2.2493 2.5955 2.5955 3.1605 3.1605 3.3747 3.3747 3.5308 3.5308 3.8672 3.8672 3.9436 3.9436 4.4725 4.4725 4.5654 4.5654 4.5918 4.5918 k = 0.1167 0.4064-0.0000 ( 9624 PWs) bands (ev): -46.6174 -46.6174 -45.9826 -45.9826 -45.6545 -45.6545 -25.8442 -25.8442 -25.4286 -25.4286 -25.0444 -25.0444 -24.1586 -24.1586 -23.9636 -23.9636 -23.8136 -23.8136 -23.5877 -23.5877 -23.2688 -23.2688 -22.3138 -22.3138 -5.8995 -5.8995 -5.4513 -5.4513 -5.2070 -5.2070 -5.1755 -5.1755 -5.1704 -5.1704 -4.8977 -4.8977 -4.6464 -4.6464 -4.4833 -4.4833 -4.4809 -4.4809 -4.4668 -4.4668 -0.7839 -0.7839 0.5869 0.5869 1.2952 1.2952 2.1232 2.1232 2.2274 2.2274 2.5823 2.5823 3.1470 3.1470 3.3966 3.3966 3.5200 3.5200 3.8699 3.8699 3.9573 3.9573 4.4748 4.4748 4.5675 4.5675 4.6688 4.6688 k = 0.1000 0.4064-0.0000 ( 9628 PWs) bands (ev): -46.6174 -46.6174 -45.9855 -45.9855 -45.6514 -45.6514 -25.8439 -25.8439 -25.4376 -25.4376 -25.0446 -25.0446 -24.1582 -24.1582 -23.9631 -23.9631 -23.8198 -23.8198 -23.5902 -23.5902 -23.2662 -23.2662 -22.2935 -22.2935 -5.9089 -5.9089 -5.4524 -5.4524 -5.2127 -5.2127 -5.1756 -5.1756 -5.1704 -5.1704 -4.8993 -4.8993 -4.6465 -4.6465 -4.4833 -4.4833 -4.4810 -4.4810 -4.4668 -4.4668 -0.8056 -0.8056 0.5814 0.5814 1.2431 1.2431 2.0985 2.0985 2.2080 2.2080 2.5709 2.5709 3.1352 3.1352 3.4173 3.4173 3.5105 3.5105 3.8714 3.8714 3.9711 3.9711 4.4765 4.4765 4.5681 4.5681 4.6530 4.6530 k = 0.0833 0.4064-0.0000 ( 9628 PWs) bands (ev): -46.6175 -46.6175 -45.9879 -45.9879 -45.6488 -45.6488 -25.8437 -25.8437 -25.4453 -25.4453 -25.0447 -25.0447 -24.1580 -24.1580 -23.9627 -23.9627 -23.8250 -23.8250 -23.5922 -23.5922 -23.2640 -23.2640 -22.2761 -22.2761 -5.9170 -5.9170 -5.4534 -5.4534 -5.2176 -5.2176 -5.1757 -5.1757 -5.1704 -5.1704 -4.9006 -4.9006 -4.6466 -4.6466 -4.4833 -4.4833 -4.4811 -4.4811 -4.4667 -4.4667 -0.8240 -0.8240 0.5767 0.5767 1.1986 1.1986 2.0775 2.0775 2.1913 2.1913 2.5614 2.5614 3.1251 3.1251 3.4363 3.4363 3.5024 3.5024 3.8722 3.8722 3.9841 3.9841 4.4777 4.4777 4.5679 4.5679 4.6354 4.6354 k = 0.0667 0.4064-0.0000 ( 9634 PWs) bands (ev): -46.6175 -46.6175 -45.9899 -45.9899 -45.6466 -45.6466 -25.8435 -25.8435 -25.4518 -25.4518 -25.0449 -25.0449 -24.1577 -24.1577 -23.9624 -23.9624 -23.8292 -23.8292 -23.5940 -23.5940 -23.2621 -23.2621 -22.2618 -22.2618 -5.9238 -5.9238 -5.4542 -5.4542 -5.2216 -5.2216 -5.1758 -5.1758 -5.1704 -5.1704 -4.9017 -4.9017 -4.6467 -4.6467 -4.4833 -4.4833 -4.4812 -4.4812 -4.4666 -4.4666 -0.8391 -0.8391 0.5728 0.5728 1.1618 1.1618 2.0602 2.0602 2.1775 2.1775 2.5535 2.5535 3.1169 3.1169 3.4528 3.4528 3.4957 3.4957 3.8727 3.8727 3.9957 3.9957 4.4785 4.4785 4.5675 4.5675 4.6196 4.6196 k = 0.0500 0.4064-0.0000 ( 9642 PWs) bands (ev): -46.6175 -46.6175 -45.9915 -45.9915 -45.6448 -45.6448 -25.8433 -25.8433 -25.4569 -25.4569 -25.0450 -25.0450 -24.1575 -24.1575 -23.9621 -23.9621 -23.8324 -23.8324 -23.5953 -23.5953 -23.2607 -23.2607 -22.2506 -22.2506 -5.9292 -5.9292 -5.4549 -5.4549 -5.2248 -5.2248 -5.1758 -5.1758 -5.1704 -5.1704 -4.9026 -4.9026 -4.6468 -4.6468 -4.4833 -4.4833 -4.4813 -4.4813 -4.4666 -4.4666 -0.8507 -0.8507 0.5697 0.5697 1.1330 1.1330 2.0467 2.0467 2.1666 2.1666 2.5474 2.5474 3.1104 3.1104 3.4663 3.4663 3.4905 3.4905 3.8729 3.8729 4.0052 4.0052 4.4789 4.4789 4.5673 4.5673 4.6063 4.6063 k = 0.0333 0.4064-0.0000 ( 9634 PWs) bands (ev): -46.6175 -46.6175 -45.9926 -45.9926 -45.6436 -45.6436 -25.8432 -25.8432 -25.4605 -25.4605 -25.0451 -25.0451 -24.1574 -24.1574 -23.9619 -23.9619 -23.8347 -23.8347 -23.5963 -23.5963 -23.2597 -23.2597 -22.2426 -22.2426 -5.9331 -5.9331 -5.4553 -5.4553 -5.2270 -5.2270 -5.1758 -5.1758 -5.1704 -5.1704 -4.9032 -4.9032 -4.6468 -4.6468 -4.4833 -4.4833 -4.4813 -4.4813 -4.4665 -4.4665 -0.8591 -0.8591 0.5675 0.5675 1.1124 1.1124 2.0371 2.0371 2.1588 2.1588 2.5431 2.5431 3.1058 3.1058 3.4764 3.4764 3.4867 3.4867 3.8731 3.8731 4.0123 4.0123 4.4792 4.4792 4.5675 4.5675 4.5960 4.5960 k = 0.0167 0.4064-0.0000 ( 9626 PWs) bands (ev): -46.6175 -46.6175 -45.9933 -45.9933 -45.6429 -45.6429 -25.8431 -25.8431 -25.4627 -25.4627 -25.0451 -25.0451 -24.1573 -24.1573 -23.9618 -23.9618 -23.8360 -23.8360 -23.5968 -23.5968 -23.2591 -23.2591 -22.2377 -22.2377 -5.9354 -5.9354 -5.4556 -5.4556 -5.2284 -5.2284 -5.1758 -5.1758 -5.1704 -5.1704 -4.9035 -4.9035 -4.6469 -4.6469 -4.4833 -4.4833 -4.4813 -4.4813 -4.4665 -4.4665 -0.8641 -0.8641 0.5662 0.5662 1.1000 1.1000 2.0313 2.0313 2.1540 2.1540 2.5405 2.5405 3.1030 3.1030 3.4825 3.4825 3.4845 3.4845 3.8731 3.8731 4.0167 4.0167 4.4793 4.4793 4.5681 4.5681 4.5890 4.5890 k = 0.0000 0.4064-0.0000 ( 9626 PWs) bands (ev): -46.6175 -46.6175 -45.9935 -45.9935 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9362 -5.9362 -5.4557 -5.4557 -5.2288 -5.2288 -5.1758 -5.1758 -5.1704 -5.1704 -4.9036 -4.9036 -4.6469 -4.6469 -4.4833 -4.4833 -4.4813 -4.4813 -4.4665 -4.4665 -0.8657 -0.8657 0.5657 0.5657 1.0958 1.0958 2.0294 2.0294 2.1525 2.1525 2.5396 2.5396 3.1021 3.1021 3.4836 3.4836 3.4848 3.4848 3.8731 3.8731 4.0181 4.0181 4.4793 4.4793 4.5685 4.5685 4.5865 4.5865 k = 0.0000 0.4064-0.0000 ( 9626 PWs) bands (ev): -46.6175 -46.6175 -45.9935 -45.9935 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9362 -5.9362 -5.4557 -5.4557 -5.2288 -5.2288 -5.1758 -5.1758 -5.1704 -5.1704 -4.9036 -4.9036 -4.6469 -4.6469 -4.4833 -4.4833 -4.4813 -4.4813 -4.4665 -4.4665 -0.8657 -0.8657 0.5657 0.5657 1.0958 1.0958 2.0294 2.0294 2.1525 2.1525 2.5396 2.5396 3.1021 3.1021 3.4836 3.4836 3.4848 3.4848 3.8731 3.8731 4.0181 4.0181 4.4793 4.4793 4.5685 4.5685 4.5865 4.5865 k = 0.0000 0.3902-0.0000 ( 9628 PWs) bands (ev): -46.6175 -46.6175 -45.9935 -45.9935 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9362 -5.9362 -5.4558 -5.4558 -5.2295 -5.2295 -5.1757 -5.1757 -5.1703 -5.1703 -4.9036 -4.9036 -4.6470 -4.6470 -4.4829 -4.4829 -4.4812 -4.4812 -4.4663 -4.4663 -0.8679 -0.8679 0.5706 0.5706 1.0958 1.0958 2.0295 2.0295 2.1524 2.1524 2.5391 2.5391 3.1022 3.1022 3.4806 3.4806 3.4856 3.4856 3.8719 3.8719 4.0186 4.0186 4.4794 4.4794 4.5734 4.5734 4.5865 4.5865 k = 0.0000 0.3739-0.0000 ( 9626 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9363 -5.9363 -5.4562 -5.4562 -5.2314 -5.2314 -5.1754 -5.1754 -5.1699 -5.1699 -4.9036 -4.9036 -4.6473 -4.6473 -4.4819 -4.4819 -4.4808 -4.4808 -4.4658 -4.4658 -0.8743 -0.8743 0.5853 0.5853 1.0955 1.0955 2.0298 2.0298 2.1524 2.1524 2.5377 2.5377 3.1025 3.1025 3.4748 3.4748 3.4849 3.4849 3.8684 3.8684 4.0199 4.0199 4.4796 4.4796 4.5860 4.5860 4.5884 4.5884 k = 0.0000 0.3577-0.0000 ( 9622 PWs) bands (ev): -46.6175 -46.6175 -45.9935 -45.9935 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9365 -5.9365 -5.4567 -5.4567 -5.2344 -5.2344 -5.1751 -5.1751 -5.1691 -5.1691 -4.9036 -4.9036 -4.6477 -4.6477 -4.4815 -4.4815 -4.4789 -4.4789 -4.4648 -4.4648 -0.8847 -0.8847 0.6093 0.6093 1.0951 1.0951 2.0303 2.0303 2.1524 2.1524 2.5353 2.5353 3.1030 3.1030 3.4665 3.4665 3.4827 3.4827 3.8629 3.8629 4.0221 4.0221 4.4799 4.4799 4.5864 4.5864 4.6114 4.6114 k = 0.0000 0.3414-0.0000 ( 9622 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9367 -5.9367 -5.4575 -5.4575 -5.2383 -5.2383 -5.1752 -5.1752 -5.1679 -5.1679 -4.9036 -4.9036 -4.6484 -4.6484 -4.4814 -4.4814 -4.4760 -4.4760 -4.4636 -4.4636 -0.8985 -0.8985 0.6421 0.6421 1.0947 1.0947 2.0310 2.0310 2.1523 2.1523 2.5320 2.5320 3.1037 3.1037 3.4560 3.4560 3.4791 3.4791 3.8555 3.8555 4.0252 4.0252 4.4804 4.4804 4.5864 4.5864 4.6427 4.6427 k = 0.0000 0.3252-0.0000 ( 9622 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9369 -5.9369 -5.4585 -5.4585 -5.2429 -5.2429 -5.1755 -5.1755 -5.1664 -5.1664 -4.9036 -4.9036 -4.6491 -4.6491 -4.4813 -4.4813 -4.4723 -4.4723 -4.4620 -4.4620 -0.9152 -0.9152 0.6830 0.6830 1.0943 1.0943 2.0319 2.0319 2.1522 2.1522 2.5278 2.5278 3.1046 3.1046 3.4436 3.4436 3.4744 3.4744 3.8465 3.8465 4.0294 4.0294 4.4811 4.4811 4.5864 4.5864 4.6807 4.6807 k = 0.0000 0.3089-0.0000 ( 9644 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9373 -5.9373 -5.4597 -5.4597 -5.2481 -5.2481 -5.1761 -5.1761 -5.1647 -5.1647 -4.9037 -4.9037 -4.6499 -4.6499 -4.4812 -4.4812 -4.4681 -4.4681 -4.4601 -4.4601 -0.9343 -0.9343 0.7311 0.7311 1.0942 1.0942 2.0330 2.0330 2.1521 2.1521 2.5229 2.5229 3.1057 3.1057 3.4298 3.4298 3.4686 3.4686 3.8363 3.8363 4.0346 4.0346 4.4818 4.4818 4.5864 4.5864 4.7239 4.7239 k = 0.0000 0.2926-0.0000 ( 9648 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9377 -5.9377 -5.4611 -5.4611 -5.2538 -5.2538 -5.1769 -5.1769 -5.1629 -5.1629 -4.9037 -4.9037 -4.6507 -4.6507 -4.4812 -4.4812 -4.4635 -4.4635 -4.4578 -4.4578 -0.9550 -0.9550 0.7854 0.7854 1.0948 1.0948 2.0342 2.0342 2.1520 2.1520 2.5174 2.5174 3.1069 3.1069 3.4150 3.4150 3.4620 3.4620 3.8250 3.8250 4.0407 4.0407 4.4826 4.4826 4.5863 4.5863 4.7707 4.7707 k = 0.0000 0.2764-0.0000 ( 9654 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9381 -5.9381 -5.4626 -5.4626 -5.2597 -5.2597 -5.1777 -5.1777 -5.1612 -5.1612 -4.9038 -4.9038 -4.6514 -4.6514 -4.4811 -4.4811 -4.4589 -4.4589 -4.4549 -4.4549 -0.9769 -0.9769 0.8443 0.8443 1.0968 1.0968 2.0355 2.0355 2.1519 2.1519 2.5112 2.5112 3.1083 3.1083 3.3997 3.3997 3.4546 3.4546 3.8127 3.8127 4.0478 4.0478 4.4836 4.4836 4.5863 4.5863 4.8189 4.8189 k = 0.0000 0.2601-0.0000 ( 9678 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9386 -5.9386 -5.4643 -5.4643 -5.2658 -5.2658 -5.1788 -5.1788 -5.1595 -5.1595 -4.9039 -4.9039 -4.6522 -4.6522 -4.4811 -4.4811 -4.4552 -4.4552 -4.4507 -4.4507 -0.9994 -0.9994 0.9054 0.9054 1.1020 1.1020 2.0370 2.0370 2.1518 2.1518 2.5046 2.5046 3.1097 3.1097 3.3842 3.3842 3.4467 3.4467 3.7994 3.7994 4.0559 4.0559 4.4846 4.4846 4.5863 4.5863 4.8655 4.8655 k = 0.0000 0.2439-0.0000 ( 9684 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6427 -45.6427 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9391 -5.9391 -5.4661 -5.4661 -5.2720 -5.2720 -5.1798 -5.1798 -5.1580 -5.1580 -4.9040 -4.9040 -4.6527 -4.6527 -4.4811 -4.4811 -4.4521 -4.4521 -4.4455 -4.4455 -1.0221 -1.0221 0.9633 0.9633 1.1153 1.1153 2.0385 2.0385 2.1516 2.1516 2.4976 2.4976 3.1114 3.1114 3.3689 3.3689 3.4384 3.4384 3.7849 3.7849 4.0647 4.0647 4.4856 4.4856 4.5863 4.5863 4.9064 4.9064 k = 0.0000 0.2276-0.0000 ( 9677 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9396 -5.9396 -5.4678 -5.4678 -5.2782 -5.2782 -5.1808 -5.1808 -5.1566 -5.1566 -4.9040 -4.9040 -4.6532 -4.6532 -4.4810 -4.4810 -4.4491 -4.4491 -4.4398 -4.4398 -1.0446 -1.0446 1.0075 1.0075 1.1466 1.1466 2.0401 2.0401 2.1515 2.1515 2.4904 2.4904 3.1130 3.1130 3.3540 3.3540 3.4297 3.4297 3.7694 3.7694 4.0743 4.0743 4.4867 4.4867 4.5863 4.5863 4.9369 4.9369 k = 0.0000 0.2113-0.0000 ( 9683 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6427 -45.6427 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9401 -5.9401 -5.4697 -5.4697 -5.2842 -5.2842 -5.1819 -5.1819 -5.1553 -5.1553 -4.9041 -4.9041 -4.6535 -4.6535 -4.4809 -4.4809 -4.4463 -4.4463 -4.4341 -4.4341 -1.0665 -1.0665 1.0307 1.0307 1.2025 1.2025 2.0418 2.0418 2.1514 2.1514 2.4830 2.4830 3.1148 3.1148 3.3399 3.3399 3.4210 3.4210 3.7524 3.7524 4.0845 4.0845 4.4877 4.4877 4.5863 4.5863 4.9536 4.9536 k = 0.0000 0.1951-0.0000 ( 9693 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9406 -5.9406 -5.4716 -5.4716 -5.2902 -5.2902 -5.1830 -5.1830 -5.1542 -5.1542 -4.9042 -4.9042 -4.6538 -4.6538 -4.4809 -4.4809 -4.4436 -4.4436 -4.4284 -4.4284 -1.0876 -1.0876 1.0402 1.0402 1.2751 1.2751 2.0434 2.0434 2.1512 2.1512 2.4758 2.4758 3.1166 3.1166 3.3266 3.3266 3.4122 3.4122 3.7339 3.7339 4.0952 4.0952 4.4888 4.4888 4.5863 4.5863 4.9565 4.9565 k = 0.0000 0.1788-0.0000 ( 9675 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9411 -5.9411 -5.4734 -5.4734 -5.2958 -5.2958 -5.1841 -5.1841 -5.1531 -5.1531 -4.9043 -4.9043 -4.6539 -4.6539 -4.4808 -4.4808 -4.4408 -4.4408 -4.4228 -4.4228 -1.1076 -1.1076 1.0436 1.0436 1.3561 1.3561 2.0451 2.0451 2.1511 2.1511 2.4687 2.4687 3.1184 3.1184 3.3144 3.3144 3.4036 3.4036 3.7134 3.7134 4.1063 4.1063 4.4898 4.4898 4.5863 4.5863 4.9461 4.9461 k = 0.0000 0.1626-0.0000 ( 9675 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9416 -5.9416 -5.4752 -5.4752 -5.3011 -5.3011 -5.1852 -5.1852 -5.1522 -5.1522 -4.9044 -4.9044 -4.6539 -4.6539 -4.4808 -4.4808 -4.4382 -4.4382 -4.4176 -4.4176 -1.1264 -1.1264 1.0445 1.0445 1.4413 1.4413 2.0467 2.0467 2.1510 2.1510 2.4618 2.4618 3.1201 3.1201 3.3033 3.3033 3.3953 3.3953 3.6908 3.6908 4.1176 4.1176 4.4907 4.4907 4.5863 4.5863 4.9213 4.9213 k = 0.0000 0.1463-0.0000 ( 9669 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9421 -5.9421 -5.4770 -5.4770 -5.3061 -5.3061 -5.1862 -5.1862 -5.1514 -5.1514 -4.9046 -4.9046 -4.6539 -4.6539 -4.4807 -4.4807 -4.4357 -4.4357 -4.4126 -4.4126 -1.1437 -1.1437 1.0442 1.0442 1.5284 1.5284 2.0483 2.0483 2.1509 2.1509 2.4554 2.4554 3.1218 3.1218 3.2934 3.2934 3.3873 3.3873 3.6656 3.6656 4.1289 4.1289 4.4914 4.4914 4.5863 4.5863 4.8810 4.8810 k = 0.0000 0.1301-0.0000 ( 9651 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9425 -5.9425 -5.4786 -5.4786 -5.3107 -5.3107 -5.1870 -5.1870 -5.1507 -5.1507 -4.9046 -4.9046 -4.6537 -4.6537 -4.4807 -4.4807 -4.4333 -4.4333 -4.4078 -4.4078 -1.1595 -1.1595 1.0432 1.0432 1.6159 1.6159 2.0498 2.0498 2.1508 2.1508 2.4495 2.4495 3.1235 3.1235 3.2849 3.2849 3.3799 3.3799 3.6376 3.6376 4.1400 4.1400 4.4919 4.4919 4.5864 4.5864 4.8267 4.8267 k = 0.0000 0.1138-0.0000 ( 9637 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9430 -5.9430 -5.4801 -5.4801 -5.3149 -5.3149 -5.1879 -5.1879 -5.1501 -5.1501 -4.9047 -4.9047 -4.6535 -4.6535 -4.4806 -4.4806 -4.4312 -4.4312 -4.4036 -4.4036 -1.1737 -1.1737 1.0420 1.0420 1.7021 1.7021 2.0511 2.0511 2.1507 2.1507 2.4443 2.4443 3.1250 3.1250 3.2777 3.2777 3.3731 3.3731 3.6066 3.6066 4.1505 4.1505 4.4921 4.4921 4.5864 4.5864 4.7640 4.7640 k = 0.0000 0.0975-0.0000 ( 9645 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9434 -5.9434 -5.4815 -5.4815 -5.3186 -5.3186 -5.1887 -5.1887 -5.1496 -5.1496 -4.9049 -4.9049 -4.6534 -4.6534 -4.4806 -4.4806 -4.4293 -4.4293 -4.3999 -4.3999 -1.1861 -1.1861 1.0407 1.0407 1.7851 1.7851 2.0523 2.0523 2.1506 2.1506 2.4399 2.4399 3.1263 3.1263 3.2721 3.2721 3.3670 3.3670 3.5727 3.5727 4.1603 4.1603 4.4916 4.4916 4.5864 4.5864 4.7000 4.7000 k = 0.0000 0.0813-0.0000 ( 9645 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9437 -5.9437 -5.4828 -5.4828 -5.3218 -5.3218 -5.1893 -5.1893 -5.1492 -5.1492 -4.9050 -4.9050 -4.6532 -4.6532 -4.4805 -4.4805 -4.4276 -4.4276 -4.3966 -4.3966 -1.1967 -1.1967 1.0394 1.0394 1.8630 1.8630 2.0534 2.0534 2.1505 2.1505 2.4363 2.4363 3.1275 3.1275 3.2681 3.2681 3.3617 3.3617 3.5367 3.5367 4.1691 4.1691 4.4902 4.4902 4.5861 4.5861 4.6410 4.6410 k = 0.0000 0.0650-0.0000 ( 9629 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9440 -5.9440 -5.4837 -5.4837 -5.3244 -5.3244 -5.1898 -5.1898 -5.1488 -5.1488 -4.9050 -4.9050 -4.6530 -4.6530 -4.4805 -4.4805 -4.4262 -4.4262 -4.3939 -4.3939 -1.2054 -1.2054 1.0383 1.0383 1.9331 1.9331 2.0543 2.0543 2.1504 2.1504 2.4336 2.4336 3.1284 3.1284 3.2659 3.2659 3.3573 3.3573 3.5000 3.5000 4.1766 4.1766 4.4868 4.4868 4.5828 4.5828 4.5949 4.5949 k = 0.0000 0.0488-0.0000 ( 9615 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9442 -5.9442 -5.4845 -5.4845 -5.3264 -5.3264 -5.1902 -5.1902 -5.1486 -5.1486 -4.9050 -4.9050 -4.6529 -4.6529 -4.4804 -4.4804 -4.4251 -4.4251 -4.3918 -4.3918 -1.2122 -1.2122 1.0374 1.0374 1.9925 1.9925 2.0550 2.0550 2.1504 2.1504 2.4319 2.4319 3.1290 3.1290 3.2655 3.2655 3.3539 3.3539 3.4649 3.4649 4.1826 4.1826 4.4801 4.4801 4.5542 4.5542 4.5878 4.5878 k = 0.0000 0.0325-0.0000 ( 9619 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9443 -5.9443 -5.4851 -5.4851 -5.3279 -5.3279 -5.1906 -5.1906 -5.1484 -5.1484 -4.9051 -4.9051 -4.6528 -4.6528 -4.4804 -4.4804 -4.4243 -4.4243 -4.3903 -4.3903 -1.2172 -1.2172 1.0367 1.0367 2.0380 2.0380 2.0555 2.0555 2.1504 2.1504 2.4311 2.4311 3.1295 3.1295 3.2667 3.2667 3.3515 3.3515 3.4349 3.4349 4.1869 4.1869 4.4697 4.4697 4.5342 4.5342 4.5875 4.5875 k = 0.0000 0.0163-0.0000 ( 9625 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9444 -5.9444 -5.4855 -5.4855 -5.3288 -5.3288 -5.1908 -5.1908 -5.1483 -5.1483 -4.9051 -4.9051 -4.6527 -4.6527 -4.4804 -4.4804 -4.4239 -4.4239 -4.3893 -4.3893 -1.2201 -1.2201 1.0363 1.0363 2.0558 2.0558 2.0667 2.0667 2.1504 2.1504 2.4308 2.4308 3.1297 3.1297 3.2685 3.2685 3.3502 3.3502 3.4139 3.4139 4.1894 4.1894 4.4600 4.4600 4.5255 4.5255 4.5874 4.5874 k = 0.0000 0.0000 0.0000 ( 9623 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9445 -5.9445 -5.4856 -5.4856 -5.3291 -5.3291 -5.1909 -5.1909 -5.1482 -5.1482 -4.9051 -4.9051 -4.6527 -4.6527 -4.4804 -4.4804 -4.4237 -4.4237 -4.3891 -4.3891 -1.2211 -1.2211 1.0362 1.0362 2.0559 2.0559 2.0765 2.0765 2.1504 2.1504 2.4308 2.4308 3.1298 3.1298 3.2694 3.2694 3.3499 3.3499 3.4062 3.4062 4.1903 4.1903 4.4562 4.4562 4.5232 4.5232 4.5874 4.5874 k = 0.0000 0.0000 0.0000 ( 9623 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9445 -5.9445 -5.4856 -5.4856 -5.3291 -5.3291 -5.1909 -5.1909 -5.1482 -5.1482 -4.9051 -4.9051 -4.6527 -4.6527 -4.4804 -4.4804 -4.4237 -4.4237 -4.3891 -4.3891 -1.2211 -1.2211 1.0362 1.0362 2.0559 2.0559 2.0765 2.0765 2.1504 2.1504 2.4308 2.4308 3.1298 3.1298 3.2694 3.2694 3.3499 3.3499 3.4062 3.4062 4.1903 4.1903 4.4562 4.4562 4.5232 4.5232 4.5874 4.5874 k = 0.0000 0.0000 0.0169 ( 9623 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9445 -5.9445 -5.4856 -5.4856 -5.3291 -5.3291 -5.1908 -5.1908 -5.1483 -5.1483 -4.9051 -4.9051 -4.6527 -4.6527 -4.4804 -4.4804 -4.4237 -4.4237 -4.3891 -4.3891 -1.2204 -1.2204 1.0348 1.0348 2.0560 2.0560 2.0770 2.0770 2.1505 2.1505 2.4274 2.4274 3.1303 3.1303 3.2717 3.2717 3.3389 3.3389 3.4185 3.4185 4.1902 4.1902 4.4561 4.4561 4.5230 4.5230 4.5846 4.5846 k = 0.0000 0.0000 0.0337 ( 9628 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2589 -23.2589 -22.2361 -22.2361 -5.9445 -5.9445 -5.4856 -5.4856 -5.3291 -5.3291 -5.1909 -5.1909 -5.1483 -5.1483 -4.9051 -4.9051 -4.6527 -4.6527 -4.4804 -4.4804 -4.4237 -4.4237 -4.3890 -4.3890 -1.2183 -1.2183 1.0307 1.0307 2.0560 2.0560 2.0785 2.0785 2.1507 2.1507 2.4178 2.4178 3.1320 3.1320 3.2774 3.2774 3.3185 3.3185 3.4433 3.4433 4.1901 4.1901 4.4559 4.4559 4.5225 4.5225 4.5764 4.5764 k = 0.0000 0.0000 0.0506 ( 9636 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2589 -23.2589 -22.2361 -22.2361 -5.9445 -5.9445 -5.4856 -5.4856 -5.3291 -5.3291 -5.1909 -5.1909 -5.1483 -5.1483 -4.9052 -4.9052 -4.6526 -4.6526 -4.4805 -4.4805 -4.4237 -4.4237 -4.3890 -4.3890 -1.2149 -1.2149 1.0240 1.0240 2.0561 2.0561 2.0809 2.0809 2.1510 2.1510 2.4025 2.4025 3.1354 3.1354 3.2798 3.2798 3.3030 3.3030 3.4718 3.4718 4.1898 4.1898 4.4555 4.4555 4.5215 4.5215 4.5640 4.5640 k = 0.0000 0.0000 0.0674 ( 9640 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5971 -23.5971 -23.2589 -23.2589 -22.2361 -22.2361 -5.9445 -5.9445 -5.4856 -5.4856 -5.3291 -5.3291 -5.1909 -5.1909 -5.1483 -5.1483 -4.9051 -4.9051 -4.6526 -4.6526 -4.4805 -4.4805 -4.4237 -4.4237 -4.3890 -4.3890 -1.2102 -1.2102 1.0148 1.0148 2.0562 2.0562 2.0842 2.0842 2.1515 2.1515 2.3825 2.3825 3.1410 3.1410 3.2642 3.2642 3.3077 3.3077 3.5021 3.5021 4.1894 4.1894 4.4547 4.4547 4.5198 4.5198 4.5486 4.5486 k = 0.0000 0.0000 0.0843 ( 9648 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9616 -23.9616 -23.8365 -23.8365 -23.5971 -23.5971 -23.2589 -23.2589 -22.2361 -22.2361 -5.9445 -5.9445 -5.4856 -5.4856 -5.3292 -5.3292 -5.1909 -5.1909 -5.1483 -5.1483 -4.9051 -4.9051 -4.6526 -4.6526 -4.4805 -4.4805 -4.4237 -4.4237 -4.3889 -4.3889 -1.2043 -1.2043 1.0031 1.0031 2.0563 2.0563 2.0883 2.0883 2.1521 2.1521 2.3591 2.3591 3.1490 3.1490 3.2431 3.2431 3.3192 3.3192 3.5334 3.5334 4.1890 4.1890 4.4531 4.4531 4.5164 4.5164 4.5325 4.5325 k = 0.0000 0.0000 0.1011 ( 9652 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9616 -23.9616 -23.8365 -23.8365 -23.5971 -23.5971 -23.2589 -23.2589 -22.2361 -22.2361 -5.9445 -5.9445 -5.4855 -5.4855 -5.3292 -5.3292 -5.1910 -5.1910 -5.1483 -5.1483 -4.9051 -4.9051 -4.6526 -4.6526 -4.4805 -4.4805 -4.4237 -4.4237 -4.3889 -4.3889 -1.1973 -1.1973 0.9893 0.9893 2.0564 2.0564 2.0932 2.0932 2.1528 2.1528 2.3334 2.3334 3.1593 3.1593 3.2224 3.2224 3.3311 3.3311 3.5654 3.5654 4.1884 4.1884 4.4501 4.4501 4.5069 4.5069 4.5216 4.5216 k = 0.0000 0.0000 0.1180 ( 9660 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9616 -23.9616 -23.8365 -23.8365 -23.5972 -23.5972 -23.2589 -23.2589 -22.2361 -22.2361 -5.9445 -5.9445 -5.4855 -5.4855 -5.3292 -5.3292 -5.1910 -5.1910 -5.1483 -5.1483 -4.9051 -4.9051 -4.6525 -4.6525 -4.4805 -4.4805 -4.4237 -4.4237 -4.3888 -4.3888 -1.1894 -1.1894 0.9735 0.9735 2.0566 2.0566 2.0988 2.0988 2.1535 2.1535 2.3066 2.3066 3.1707 3.1707 3.2039 3.2039 3.3419 3.3419 3.5979 3.5979 4.1878 4.1878 4.4448 4.4448 4.4917 4.4917 4.5169 4.5169 k = 0.0000 0.0000 0.1349 ( 9660 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9615 -23.9615 -23.8366 -23.8366 -23.5972 -23.5972 -23.2590 -23.2590 -22.2361 -22.2361 -5.9445 -5.9445 -5.4854 -5.4854 -5.3292 -5.3292 -5.1909 -5.1909 -5.1483 -5.1483 -4.9051 -4.9051 -4.6525 -4.6525 -4.4805 -4.4805 -4.4237 -4.4237 -4.3887 -4.3887 -1.1806 -1.1806 0.9560 0.9560 2.0567 2.0567 2.1050 2.1050 2.1544 2.1544 2.2796 2.2796 3.1739 3.1739 3.1967 3.1967 3.3510 3.3510 3.6306 3.6306 4.1871 4.1871 4.4358 4.4358 4.4778 4.4778 4.5134 4.5134 k = 0.0000 0.0000 0.1517 ( 9654 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9615 -23.9615 -23.8366 -23.8366 -23.5972 -23.5972 -23.2590 -23.2590 -22.2361 -22.2361 -5.9445 -5.9445 -5.4854 -5.4854 -5.3292 -5.3292 -5.1909 -5.1909 -5.1482 -5.1482 -4.9050 -4.9050 -4.6524 -4.6524 -4.4805 -4.4805 -4.4237 -4.4237 -4.3887 -4.3887 -1.1713 -1.1713 0.9372 0.9372 2.0569 2.0569 2.1115 2.1115 2.1553 2.1553 2.2533 2.2533 3.1606 3.1606 3.2088 3.2088 3.3585 3.3585 3.6635 3.6635 4.1863 4.1863 4.4226 4.4226 4.4668 4.4668 4.5102 4.5102 k = 0.0000 0.0000 0.1686 ( 9648 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9614 -23.9614 -23.8366 -23.8366 -23.5973 -23.5973 -23.2590 -23.2590 -22.2361 -22.2361 -5.9445 -5.9445 -5.4853 -5.4853 -5.3292 -5.3292 -5.1909 -5.1909 -5.1481 -5.1481 -4.9049 -4.9049 -4.6523 -4.6523 -4.4805 -4.4805 -4.4236 -4.4236 -4.3886 -4.3886 -1.1616 -1.1616 0.9177 0.9177 2.0571 2.0571 2.1184 2.1184 2.1562 2.1562 2.2283 2.2283 3.1450 3.1450 3.2252 3.2252 3.3646 3.3646 3.6962 3.6962 4.1855 4.1855 4.4070 4.4070 4.4573 4.4573 4.5073 4.5073 k = 0.0000 0.0000 0.1854 ( 9656 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9614 -23.9614 -23.8366 -23.8366 -23.5973 -23.5973 -23.2590 -23.2590 -22.2361 -22.2361 -5.9445 -5.9445 -5.4852 -5.4852 -5.3292 -5.3292 -5.1909 -5.1909 -5.1481 -5.1481 -4.9049 -4.9049 -4.6523 -4.6523 -4.4805 -4.4805 -4.4236 -4.4236 -4.3885 -4.3885 -1.1516 -1.1516 0.8977 0.8977 2.0572 2.0572 2.1253 2.1253 2.1571 2.1571 2.2050 2.2050 3.1303 3.1303 3.2418 3.2418 3.3702 3.3702 3.7285 3.7285 4.1847 4.1847 4.3907 4.3907 4.4477 4.4477 4.5049 4.5049 k = 0.0000 0.0000 0.2023 ( 9670 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9613 -23.9613 -23.8366 -23.8366 -23.5973 -23.5973 -23.2591 -23.2591 -22.2361 -22.2361 -5.9445 -5.9445 -5.4852 -5.4852 -5.3292 -5.3292 -5.1910 -5.1910 -5.1481 -5.1481 -4.9049 -4.9049 -4.6523 -4.6523 -4.4805 -4.4805 -4.4237 -4.4237 -4.3884 -4.3884 -1.1418 -1.1418 0.8778 0.8778 2.0574 2.0574 2.1322 2.1322 2.1580 2.1580 2.1838 2.1838 3.1168 3.1168 3.2571 3.2571 3.3762 3.3762 3.7602 3.7602 4.1838 4.1838 4.3750 4.3750 4.4368 4.4368 4.5030 4.5030 k = 0.0000 0.0000 0.2191 ( 9668 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9613 -23.9613 -23.8366 -23.8366 -23.5974 -23.5974 -23.2591 -23.2591 -22.2361 -22.2361 -5.9445 -5.9445 -5.4851 -5.4851 -5.3292 -5.3292 -5.1909 -5.1909 -5.1481 -5.1481 -4.9048 -4.9048 -4.6522 -4.6522 -4.4805 -4.4805 -4.4237 -4.4237 -4.3883 -4.3883 -1.1323 -1.1323 0.8587 0.8587 2.0576 2.0576 2.1389 2.1389 2.1589 2.1589 2.1650 2.1650 3.1048 3.1048 3.2696 3.2696 3.3836 3.3836 3.7908 3.7908 4.1830 4.1830 4.3605 4.3605 4.4246 4.4246 4.5018 4.5018 k = 0.0000 0.0000 0.2360 ( 9662 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9612 -23.9612 -23.8367 -23.8367 -23.5974 -23.5974 -23.2591 -23.2591 -22.2361 -22.2361 -5.9445 -5.9445 -5.4851 -5.4851 -5.3292 -5.3292 -5.1909 -5.1909 -5.1481 -5.1481 -4.9048 -4.9048 -4.6522 -4.6522 -4.4805 -4.4805 -4.4236 -4.4236 -4.3882 -4.3882 -1.1234 -1.1234 0.8407 0.8407 2.0577 2.0577 2.1442 2.1442 2.1494 2.1494 2.1597 2.1597 3.0944 3.0944 3.2784 3.2784 3.3930 3.3930 3.8198 3.8198 4.1822 4.1822 4.3476 4.3476 4.4113 4.4113 4.5010 4.5010 k = 0.0000 0.0000 0.2529 ( 9668 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9612 -23.9612 -23.8367 -23.8367 -23.5974 -23.5974 -23.2591 -23.2591 -22.2361 -22.2361 -5.9445 -5.9445 -5.4850 -5.4850 -5.3292 -5.3292 -5.1909 -5.1909 -5.1481 -5.1481 -4.9048 -4.9048 -4.6521 -4.6521 -4.4805 -4.4805 -4.4236 -4.4236 -4.3882 -4.3882 -1.1153 -1.1153 0.8245 0.8245 2.0578 2.0578 2.1340 2.1340 2.1513 2.1513 2.1604 2.1604 3.0854 3.0854 3.2837 3.2837 3.4042 3.4042 3.8466 3.8466 4.1815 4.1815 4.3367 4.3367 4.3973 4.3973 4.5005 4.5005 k = 0.0000 0.0000 0.2697 ( 9676 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9612 -23.9612 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9445 -5.9445 -5.4850 -5.4850 -5.3292 -5.3292 -5.1910 -5.1910 -5.1481 -5.1481 -4.9048 -4.9048 -4.6521 -4.6521 -4.4805 -4.4805 -4.4236 -4.4236 -4.3881 -4.3881 -1.1083 -1.1083 0.8104 0.8104 2.0580 2.0580 2.1227 2.1227 2.1561 2.1561 2.1611 2.1611 3.0781 3.0781 3.2862 3.2862 3.4159 3.4159 3.8705 3.8705 4.1809 4.1809 4.3278 4.3278 4.3834 4.3834 4.5003 4.5003 k = 0.0000 0.0000 0.2866 ( 9686 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9445 -5.9445 -5.4850 -5.4850 -5.3293 -5.3293 -5.1910 -5.1910 -5.1481 -5.1481 -4.9048 -4.9048 -4.6521 -4.6521 -4.4806 -4.4806 -4.4237 -4.4237 -4.3881 -4.3881 -1.1026 -1.1026 0.7990 0.7990 2.0580 2.0580 2.1139 2.1139 2.1600 2.1600 2.1617 2.1617 3.0723 3.0723 3.2870 3.2870 3.4268 3.4268 3.8907 3.8907 4.1804 4.1804 4.3212 4.3212 4.3707 4.3707 4.5002 4.5002 k = 0.0000 0.0000 0.3034 ( 9680 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9445 -5.9445 -5.4850 -5.4850 -5.3292 -5.3292 -5.1910 -5.1910 -5.1481 -5.1481 -4.9047 -4.9047 -4.6521 -4.6521 -4.4806 -4.4806 -4.4237 -4.4237 -4.3880 -4.3880 -1.0984 -1.0984 0.7906 0.7906 2.0581 2.0581 2.1076 2.1076 2.1617 2.1617 2.1633 2.1633 3.0682 3.0682 3.2869 3.2869 3.4356 3.4356 3.9060 3.9060 4.1801 4.1801 4.3168 4.3168 4.3602 4.3602 4.5002 4.5002 k = 0.0000 0.0000 0.3203 ( 9684 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9445 -5.9445 -5.4850 -5.4850 -5.3292 -5.3292 -5.1910 -5.1910 -5.1481 -5.1481 -4.9047 -4.9047 -4.6521 -4.6521 -4.4806 -4.4806 -4.4237 -4.4237 -4.3880 -4.3880 -1.0958 -1.0958 0.7854 0.7854 2.0582 2.0582 2.1039 2.1039 2.1620 2.1620 2.1650 2.1650 3.0658 3.0658 3.2865 3.2865 3.4412 3.4412 3.9157 3.9157 4.1798 4.1798 4.3143 4.3143 4.3531 4.3531 4.5003 4.5003 k = 0.0000 0.0000 0.3372 ( 9696 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6427 -45.6427 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9446 -5.9446 -5.4850 -5.4850 -5.3292 -5.3292 -5.1910 -5.1910 -5.1481 -5.1481 -4.9047 -4.9047 -4.6521 -4.6521 -4.4806 -4.4806 -4.4237 -4.4237 -4.3881 -4.3881 -1.0949 -1.0949 0.7837 0.7837 2.0582 2.0582 2.1026 2.1026 2.1621 2.1621 2.1656 2.1656 3.0649 3.0649 3.2864 3.2864 3.4432 3.4432 3.9190 3.9190 4.1798 4.1798 4.3136 4.3136 4.3506 4.3506 4.5003 4.5003 k = 0.0000 0.0000 0.3372 ( 9696 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6427 -45.6427 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9446 -5.9446 -5.4850 -5.4850 -5.3292 -5.3292 -5.1910 -5.1910 -5.1481 -5.1481 -4.9047 -4.9047 -4.6521 -4.6521 -4.4806 -4.4806 -4.4237 -4.4237 -4.3881 -4.3881 -1.0949 -1.0949 0.7837 0.7837 2.0582 2.0582 2.1026 2.1026 2.1621 2.1621 2.1656 2.1656 3.0649 3.0649 3.2864 3.2864 3.4432 3.4432 3.9190 3.9190 4.1798 4.1798 4.3136 4.3136 4.3506 4.3506 4.5003 4.5003 k = 0.0167-0.0000 0.3372 ( 9688 PWs) bands (ev): -46.6176 -46.6176 -45.9934 -45.9934 -45.6429 -45.6429 -25.8430 -25.8430 -25.4627 -25.4627 -25.0450 -25.0450 -24.1572 -24.1572 -23.9612 -23.9612 -23.8363 -23.8363 -23.5973 -23.5973 -23.2594 -23.2594 -22.2377 -22.2377 -5.9438 -5.9438 -5.4849 -5.4849 -5.3291 -5.3291 -5.1909 -5.1909 -5.1478 -5.1478 -4.9046 -4.9046 -4.6521 -4.6521 -4.4805 -4.4805 -4.4237 -4.4237 -4.3880 -4.3880 -1.0935 -1.0935 0.7872 0.7872 2.0602 2.0602 2.1048 2.1048 2.1632 2.1632 2.1670 2.1670 3.0635 3.0635 3.2869 3.2869 3.4431 3.4431 3.9190 3.9190 4.1655 4.1655 4.3064 4.3064 4.3711 4.3711 4.4949 4.4949 k = 0.0333-0.0000 0.3372 ( 9672 PWs) bands (ev): -46.6176 -46.6176 -45.9927 -45.9927 -45.6436 -45.6436 -25.8431 -25.8431 -25.4605 -25.4605 -25.0450 -25.0450 -24.1573 -24.1573 -23.9613 -23.9613 -23.8349 -23.8349 -23.5967 -23.5967 -23.2600 -23.2600 -22.2426 -22.2426 -5.9414 -5.9414 -5.4846 -5.4846 -5.3285 -5.3285 -5.1907 -5.1907 -5.1469 -5.1469 -4.9043 -4.9043 -4.6520 -4.6520 -4.4805 -4.4805 -4.4236 -4.4236 -4.3880 -4.3880 -1.0892 -1.0892 0.7975 0.7975 2.0661 2.0661 2.1112 2.1112 2.1667 2.1667 2.1709 2.1709 3.0591 3.0591 3.2884 3.2884 3.4426 3.4426 3.9192 3.9192 4.1333 4.1333 4.2920 4.2920 4.4132 4.4132 4.4804 4.4804 k = 0.0500-0.0000 0.3372 ( 9660 PWs) bands (ev): -46.6175 -46.6175 -45.9916 -45.9916 -45.6448 -45.6448 -25.8432 -25.8432 -25.4568 -25.4568 -25.0449 -25.0449 -24.1574 -24.1574 -23.9615 -23.9615 -23.8326 -23.8326 -23.5958 -23.5958 -23.2610 -23.2610 -22.2506 -22.2506 -5.9376 -5.9376 -5.4841 -5.4841 -5.3276 -5.3276 -5.1905 -5.1905 -5.1455 -5.1455 -4.9037 -4.9037 -4.6520 -4.6520 -4.4804 -4.4804 -4.4236 -4.4236 -4.3878 -4.3878 -1.0821 -1.0821 0.8146 0.8146 2.0760 2.0760 2.1221 2.1221 2.1723 2.1723 2.1775 2.1775 3.0519 3.0519 3.2908 3.2908 3.4420 3.4420 3.9194 3.9194 4.0960 4.0960 4.2717 4.2717 4.4351 4.4351 4.4859 4.4859 k = 0.0667-0.0000 0.3372 ( 9668 PWs) bands (ev): -46.6175 -46.6175 -45.9900 -45.9900 -45.6466 -45.6466 -25.8434 -25.8434 -25.4518 -25.4518 -25.0448 -25.0448 -24.1576 -24.1576 -23.9618 -23.9618 -23.8294 -23.8294 -23.5944 -23.5944 -23.2625 -23.2625 -22.2618 -22.2618 -5.9323 -5.9323 -5.4835 -5.4835 -5.3265 -5.3265 -5.1902 -5.1902 -5.1434 -5.1434 -4.9030 -4.9030 -4.6520 -4.6520 -4.4803 -4.4803 -4.4236 -4.4236 -4.3877 -4.3877 -1.0722 -1.0722 0.8382 0.8382 2.0899 2.0899 2.1374 2.1374 2.1800 2.1800 2.1867 2.1867 3.0416 3.0416 3.2942 3.2942 3.4410 3.4410 3.9195 3.9195 4.0595 4.0595 4.2452 4.2452 4.4023 4.4023 4.5413 4.5413 k = 0.0833-0.0000 0.3372 ( 9660 PWs) bands (ev): -46.6175 -46.6175 -45.9880 -45.9880 -45.6488 -45.6488 -25.8436 -25.8436 -25.4453 -25.4453 -25.0446 -25.0446 -24.1578 -24.1578 -23.9621 -23.9621 -23.8252 -23.8252 -23.5927 -23.5927 -23.2643 -23.2643 -22.2762 -22.2762 -5.9257 -5.9257 -5.4827 -5.4827 -5.3250 -5.3250 -5.1898 -5.1898 -5.1408 -5.1408 -4.9020 -4.9020 -4.6520 -4.6520 -4.4802 -4.4802 -4.4235 -4.4235 -4.3875 -4.3875 -1.0594 -1.0594 0.8683 0.8683 2.1076 2.1076 2.1573 2.1573 2.1899 2.1899 2.1983 2.1983 3.0282 3.0282 3.2984 3.2984 3.4396 3.4396 3.9196 3.9196 4.0263 4.0263 4.2131 4.2131 4.3545 4.3545 4.6061 4.6061 k = 0.1000-0.0000 0.3372 ( 9652 PWs) bands (ev): -46.6175 -46.6175 -45.9855 -45.9855 -45.6514 -45.6514 -25.8438 -25.8438 -25.4376 -25.4376 -25.0445 -25.0445 -24.1581 -24.1581 -23.9626 -23.9626 -23.8200 -23.8200 -23.5906 -23.5906 -23.2665 -23.2665 -22.2935 -22.2935 -5.9178 -5.9178 -5.4817 -5.4817 -5.3232 -5.3232 -5.1893 -5.1893 -5.1374 -5.1374 -4.9008 -4.9008 -4.6519 -4.6519 -4.4801 -4.4801 -4.4234 -4.4234 -4.3873 -4.3873 -1.0438 -1.0438 0.9044 0.9044 2.1290 2.1290 2.1819 2.1819 2.2020 2.2020 2.2122 2.2122 3.0119 3.0119 3.3033 3.3033 3.4380 3.4380 3.9193 3.9193 3.9975 3.9975 4.1764 4.1764 4.2974 4.2974 4.6747 4.6747 k = 0.1167-0.0000 0.3372 ( 9664 PWs) bands (ev): -46.6174 -46.6174 -45.9826 -45.9826 -45.6546 -45.6546 -25.8441 -25.8441 -25.4285 -25.4285 -25.0443 -25.0443 -24.1585 -24.1585 -23.9631 -23.9631 -23.8138 -23.8138 -23.5882 -23.5882 -23.2691 -23.2691 -22.3138 -22.3138 -5.9087 -5.9087 -5.4807 -5.4807 -5.3213 -5.3213 -5.1889 -5.1889 -5.1334 -5.1334 -4.8995 -4.8995 -4.6519 -4.6519 -4.4800 -4.4800 -4.4234 -4.4234 -4.3871 -4.3871 -1.0253 -1.0253 0.9462 0.9462 2.1541 2.1541 2.2106 2.2106 2.2170 2.2170 2.2283 2.2283 2.9925 2.9925 3.3089 3.3089 3.4359 3.4359 3.9183 3.9183 3.9741 3.9741 4.1360 4.1360 4.2330 4.2330 4.7459 4.7459 k = 0.1333-0.0000 0.3372 ( 9646 PWs) bands (ev): -46.6174 -46.6174 -45.9793 -45.9793 -45.6581 -45.6581 -25.8444 -25.8444 -25.4183 -25.4183 -25.0442 -25.0442 -24.1588 -24.1588 -23.9636 -23.9636 -23.8065 -23.8065 -23.5853 -23.5853 -23.2721 -23.2721 -22.3370 -22.3370 -5.8986 -5.8986 -5.4794 -5.4794 -5.3192 -5.3192 -5.1884 -5.1884 -5.1287 -5.1287 -4.8979 -4.8979 -4.6518 -4.6518 -4.4798 -4.4798 -4.4233 -4.4233 -4.3868 -4.3868 -1.0040 -1.0040 0.9933 0.9933 2.1826 2.1826 2.2315 2.2315 2.2446 2.2446 2.2488 2.2488 2.9703 2.9703 3.3149 3.3149 3.4333 3.4333 3.9160 3.9160 3.9567 3.9567 4.0928 4.0928 4.1633 4.1633 4.8190 4.8190 k = 0.1500-0.0000 0.3372 ( 9650 PWs) bands (ev): -46.6173 -46.6173 -45.9756 -45.9756 -45.6621 -45.6621 -25.8447 -25.8447 -25.4071 -25.4071 -25.0441 -25.0441 -24.1592 -24.1592 -23.9642 -23.9642 -23.7980 -23.7980 -23.5822 -23.5822 -23.2754 -23.2754 -22.3629 -22.3629 -5.8876 -5.8876 -5.4781 -5.4781 -5.3169 -5.3169 -5.1879 -5.1879 -5.1233 -5.1233 -4.8963 -4.8963 -4.6518 -4.6518 -4.4796 -4.4796 -4.4232 -4.4232 -4.3865 -4.3865 -0.9799 -0.9799 1.0450 1.0450 2.2137 2.2137 2.2497 2.2497 2.2659 2.2659 2.2878 2.2878 2.9455 2.9455 3.3211 3.3211 3.4300 3.4300 3.9116 3.9116 3.9456 3.9456 4.0476 4.0476 4.0909 4.0909 4.8932 4.8932 k = 0.1667-0.0000 0.3372 ( 9660 PWs) bands (ev): -46.6173 -46.6173 -45.9715 -45.9715 -45.6666 -45.6666 -25.8451 -25.8451 -25.3948 -25.3948 -25.0440 -25.0440 -24.1597 -24.1597 -23.9649 -23.9649 -23.7884 -23.7884 -23.5787 -23.5787 -23.2791 -23.2791 -22.3914 -22.3914 -5.8758 -5.8758 -5.4767 -5.4767 -5.3146 -5.3146 -5.1875 -5.1875 -5.1172 -5.1172 -4.8945 -4.8945 -4.6518 -4.6518 -4.4795 -4.4795 -4.4231 -4.4231 -4.3862 -4.3862 -0.9529 -0.9529 1.1008 1.1008 2.2458 2.2458 2.2692 2.2692 2.2896 2.2896 2.3340 2.3340 2.9185 2.9185 3.3271 3.3271 3.4260 3.4260 3.9045 3.9045 3.9392 3.9392 3.9985 3.9985 4.0224 4.0224 4.9614 4.9614 k = 0.1833-0.0000 0.3372 ( 9654 PWs) bands (ev): -46.6173 -46.6173 -45.9669 -45.9669 -45.6715 -45.6715 -25.8455 -25.8455 -25.3816 -25.3816 -25.0440 -25.0440 -24.1602 -24.1602 -23.9656 -23.9656 -23.7775 -23.7775 -23.5749 -23.5749 -23.2831 -23.2831 -22.4224 -22.4224 -5.8634 -5.8634 -5.4752 -5.4752 -5.3121 -5.3121 -5.1870 -5.1870 -5.1104 -5.1104 -4.8925 -4.8925 -4.6517 -4.6517 -4.4792 -4.4792 -4.4230 -4.4230 -4.3858 -4.3858 -0.9231 -0.9231 1.1601 1.1601 2.2743 2.2743 2.2908 2.2908 2.3194 2.3194 2.3865 2.3865 2.8896 2.8896 3.3326 3.3326 3.4211 3.4211 3.8884 3.8884 3.9336 3.9336 3.9431 3.9431 3.9737 3.9737 4.9315 4.9315 k = 0.2000-0.0000 0.3372 ( 9652 PWs) bands (ev): -46.6172 -46.6172 -45.9620 -45.9620 -45.6768 -45.6768 -25.8459 -25.8459 -25.3676 -25.3676 -25.0442 -25.0442 -24.1607 -24.1607 -23.9663 -23.9663 -23.7653 -23.7653 -23.5708 -23.5708 -23.2873 -23.2873 -22.4557 -22.4557 -5.8505 -5.8505 -5.4736 -5.4736 -5.3097 -5.3097 -5.1866 -5.1866 -5.1029 -5.1029 -4.8904 -4.8904 -4.6517 -4.6517 -4.4790 -4.4790 -4.4229 -4.4229 -4.3854 -4.3854 -0.8906 -0.8906 1.2221 1.2221 2.2939 2.2939 2.3167 2.3167 2.3575 2.3575 2.4454 2.4454 2.8593 2.8593 3.3370 3.3370 3.4148 3.4148 3.8395 3.8395 3.9046 3.9046 3.9259 3.9259 3.9513 3.9513 4.8615 4.8615 k = 0.2167-0.0000 0.3372 ( 9660 PWs) bands (ev): -46.6172 -46.6172 -45.9567 -45.9567 -45.6824 -45.6824 -25.8463 -25.8463 -25.3530 -25.3530 -25.0444 -25.0444 -24.1612 -24.1612 -23.9670 -23.9670 -23.7517 -23.7517 -23.5664 -23.5664 -23.2919 -23.2919 -22.4912 -22.4912 -5.8374 -5.8374 -5.4720 -5.4720 -5.3072 -5.3072 -5.1862 -5.1862 -5.0948 -5.0948 -4.8883 -4.8883 -4.6517 -4.6517 -4.4788 -4.4788 -4.4229 -4.4229 -4.3850 -4.3850 -0.8554 -0.8554 1.2861 1.2861 2.3059 2.3059 2.3455 2.3455 2.4024 2.4024 2.5109 2.5109 2.8282 2.8282 3.3398 3.3398 3.4070 3.4070 3.7752 3.7752 3.8682 3.8682 3.9247 3.9247 3.9472 3.9472 4.7872 4.7872 k = 0.2333-0.0000 0.3372 ( 9670 PWs) bands (ev): -46.6171 -46.6171 -45.9511 -45.9511 -45.6884 -45.6884 -25.8467 -25.8467 -25.3379 -25.3379 -25.0448 -25.0448 -24.1617 -24.1617 -23.9678 -23.9678 -23.7367 -23.7367 -23.5618 -23.5618 -23.2967 -23.2967 -22.5286 -22.5286 -5.8243 -5.8243 -5.4703 -5.4703 -5.3048 -5.3048 -5.1858 -5.1858 -5.0862 -5.0862 -4.8861 -4.8861 -4.6516 -4.6516 -4.4786 -4.4786 -4.4227 -4.4227 -4.3846 -4.3846 -0.8176 -0.8176 1.3512 1.3512 2.3111 2.3111 2.3760 2.3760 2.4526 2.4526 2.5830 2.5830 2.7967 2.7967 3.3403 3.3403 3.3973 3.3973 3.7146 3.7146 3.8326 3.8326 3.9287 3.9287 3.9488 3.9488 4.7106 4.7106 k = 0.2500-0.0000 0.3372 ( 9662 PWs) bands (ev): -46.6170 -46.6170 -45.9451 -45.9451 -45.6948 -45.6948 -25.8472 -25.8472 -25.3224 -25.3224 -25.0453 -25.0453 -24.1623 -24.1623 -23.9686 -23.9686 -23.7202 -23.7202 -23.5569 -23.5569 -23.3017 -23.3017 -22.5679 -22.5679 -5.8111 -5.8111 -5.4687 -5.4687 -5.3025 -5.3025 -5.1854 -5.1854 -5.0770 -5.0770 -4.8838 -4.8838 -4.6515 -4.6515 -4.4784 -4.4784 -4.4226 -4.4226 -4.3841 -4.3841 -0.7773 -0.7773 1.4169 1.4169 2.3084 2.3084 2.4085 2.4085 2.5069 2.5069 2.6605 2.6605 2.7660 2.7660 3.3383 3.3383 3.3860 3.3860 3.6628 3.6628 3.8012 3.8012 3.9331 3.9331 3.9553 3.9553 4.6327 4.6327 k = 0.2667-0.0000 0.3372 ( 9658 PWs) bands (ev): -46.6170 -46.6170 -45.9388 -45.9388 -45.7015 -45.7015 -25.8476 -25.8476 -25.3066 -25.3066 -25.0461 -25.0461 -24.1628 -24.1628 -23.9693 -23.9693 -23.7022 -23.7022 -23.5518 -23.5518 -23.3068 -23.3068 -22.6088 -22.6088 -5.7981 -5.7981 -5.4670 -5.4670 -5.3002 -5.3002 -5.1851 -5.1851 -5.0675 -5.0675 -4.8815 -4.8815 -4.6515 -4.6515 -4.4782 -4.4782 -4.4225 -4.4225 -4.3835 -4.3835 -0.7347 -0.7347 1.4824 1.4824 2.2963 2.2963 2.4430 2.4430 2.5649 2.5649 2.7232 2.7232 2.7558 2.7558 3.3340 3.3340 3.3738 3.3738 3.6217 3.6217 3.7756 3.7756 3.9356 3.9356 3.9677 3.9677 4.5547 4.5547 k = 0.2833-0.0000 0.3372 ( 9666 PWs) bands (ev): -46.6169 -46.6169 -45.9322 -45.9322 -45.7084 -45.7084 -25.8480 -25.8480 -25.2907 -25.2907 -25.0471 -25.0471 -24.1634 -24.1634 -23.9701 -23.9701 -23.6825 -23.6825 -23.5466 -23.5466 -23.3121 -23.3121 -22.6512 -22.6512 -5.7855 -5.7855 -5.4654 -5.4654 -5.2981 -5.2981 -5.1847 -5.1847 -5.0577 -5.0577 -4.8793 -4.8793 -4.6514 -4.6514 -4.4780 -4.4780 -4.4223 -4.4223 -4.3830 -4.3830 -0.6900 -0.6900 1.5471 1.5471 2.2735 2.2735 2.4798 2.4798 2.6263 2.6263 2.7002 2.7002 2.8347 2.8347 3.3298 3.3298 3.3624 3.3624 3.5914 3.5914 3.7568 3.7568 3.9363 3.9363 3.9849 3.9849 4.4776 4.4776 k = 0.3000-0.0000 0.3372 ( 9668 PWs) bands (ev): -46.6169 -46.6169 -45.9254 -45.9254 -45.7157 -45.7157 -25.8484 -25.8484 -25.2748 -25.2748 -25.0483 -25.0483 -24.1639 -24.1639 -23.9708 -23.9708 -23.6613 -23.6613 -23.5412 -23.5412 -23.3174 -23.3174 -22.6948 -22.6948 -5.7734 -5.7734 -5.4638 -5.4638 -5.2962 -5.2962 -5.1844 -5.1844 -5.0478 -5.0478 -4.8770 -4.8770 -4.6513 -4.6513 -4.4778 -4.4778 -4.4222 -4.4222 -4.3825 -4.3825 -0.6435 -0.6435 1.6104 1.6104 2.2396 2.2396 2.5187 2.5187 2.6713 2.6713 2.6910 2.6910 2.9177 2.9177 3.3302 3.3302 3.3551 3.3551 3.5701 3.5701 3.7450 3.7450 3.9358 3.9358 4.0056 4.0056 4.4027 4.4027 k = 0.3167-0.0000 0.3372 ( 9652 PWs) bands (ev): -46.6168 -46.6168 -45.9182 -45.9182 -45.7231 -45.7231 -25.8488 -25.8488 -25.2591 -25.2591 -25.0498 -25.0498 -24.1644 -24.1644 -23.9715 -23.9715 -23.6384 -23.6384 -23.5356 -23.5356 -23.3227 -23.3227 -22.7394 -22.7394 -5.7618 -5.7618 -5.4622 -5.4622 -5.2943 -5.2943 -5.1841 -5.1841 -5.0379 -5.0379 -4.8747 -4.8747 -4.6513 -4.6513 -4.4776 -4.4776 -4.4221 -4.4221 -4.3819 -4.3819 -0.5955 -0.5955 1.6720 1.6720 2.1951 2.1951 2.5595 2.5595 2.6438 2.6438 2.7585 2.7585 2.9877 2.9877 3.3358 3.3358 3.3637 3.3637 3.5556 3.5556 3.7397 3.7397 3.9343 3.9343 4.0293 4.0293 4.3318 4.3318 k = 0.3333-0.0000 0.3372 ( 9666 PWs) bands (ev): -46.6168 -46.6168 -45.9109 -45.9109 -45.7308 -45.7308 -25.8492 -25.8492 -25.2437 -25.2437 -25.0517 -25.0517 -24.1649 -24.1649 -23.9721 -23.9721 -23.6139 -23.6139 -23.5301 -23.5301 -23.3278 -23.3278 -22.7849 -22.7849 -5.7511 -5.7511 -5.4607 -5.4607 -5.2926 -5.2926 -5.1839 -5.1839 -5.0282 -5.0282 -4.8726 -4.8726 -4.6512 -4.6512 -4.4774 -4.4774 -4.4220 -4.4220 -4.3814 -4.3814 -0.5464 -0.5464 1.7314 1.7314 2.1416 2.1416 2.5995 2.5995 2.6207 2.6207 2.8287 2.8287 3.0304 3.0304 3.3379 3.3379 3.4120 3.4120 3.5452 3.5452 3.7404 3.7404 3.9316 3.9316 4.0556 4.0556 4.2667 4.2667 k = 0.3500-0.0000 0.3372 ( 9654 PWs) bands (ev): -46.6167 -46.6167 -45.9033 -45.9033 -45.7387 -45.7387 -25.8496 -25.8496 -25.2287 -25.2287 -25.0539 -25.0539 -24.1654 -24.1654 -23.9727 -23.9727 -23.5879 -23.5879 -23.5244 -23.5244 -23.3327 -23.3327 -22.8310 -22.8310 -5.7410 -5.7410 -5.4593 -5.4593 -5.2911 -5.2911 -5.1836 -5.1836 -5.0187 -5.0187 -4.8706 -4.8706 -4.6511 -4.6511 -4.4772 -4.4772 -4.4218 -4.4218 -4.3809 -4.3809 -0.4970 -0.4970 1.7881 1.7881 2.0815 2.0815 2.5905 2.5905 2.6507 2.6507 2.9012 2.9012 3.0421 3.0421 3.3402 3.3402 3.4982 3.4982 3.5368 3.5368 3.7464 3.7464 3.9274 3.9274 4.0840 4.0840 4.2101 4.2101 k = 0.3667-0.0000 0.3372 ( 9670 PWs) bands (ev): -46.6167 -46.6167 -45.8956 -45.8956 -45.7467 -45.7467 -25.8499 -25.8499 -25.2143 -25.2143 -25.0564 -25.0564 -24.1659 -24.1659 -23.9733 -23.9733 -23.5605 -23.5605 -23.5188 -23.5188 -23.3372 -23.3372 -22.8774 -22.8774 -5.7319 -5.7319 -5.4580 -5.4580 -5.2897 -5.2897 -5.1835 -5.1835 -5.0098 -5.0098 -4.8687 -4.8687 -4.6511 -4.6511 -4.4771 -4.4771 -4.4217 -4.4217 -4.3804 -4.3804 -0.4478 -0.4478 1.8417 1.8417 2.0176 2.0176 2.5686 2.5686 2.6978 2.6978 2.9745 2.9745 3.0336 3.0336 3.3438 3.3438 3.5244 3.5244 3.6115 3.6115 3.7594 3.7594 3.9214 3.9214 4.1142 4.1142 4.1649 4.1649 k = 0.3833-0.0000 0.3372 ( 9676 PWs) bands (ev): -46.6167 -46.6167 -45.8879 -45.8879 -45.7548 -45.7548 -25.8503 -25.8503 -25.2005 -25.2005 -25.0593 -25.0593 -24.1663 -24.1663 -23.9738 -23.9738 -23.5324 -23.5324 -23.5131 -23.5131 -23.3408 -23.3408 -22.9241 -22.9241 -5.7237 -5.7237 -5.4569 -5.4569 -5.2885 -5.2885 -5.1833 -5.1833 -5.0016 -5.0016 -4.8669 -4.8669 -4.6511 -4.6511 -4.4769 -4.4769 -4.4217 -4.4217 -4.3799 -4.3799 -0.3998 -0.3998 1.8900 1.8900 1.9545 1.9545 2.5485 2.5485 2.7474 2.7474 3.0052 3.0052 3.0582 3.0582 3.3470 3.3470 3.5098 3.5098 3.7159 3.7159 3.7998 3.7998 3.9127 3.9127 4.1313 4.1313 4.1487 4.1487 k = 0.4000-0.0000 0.3372 ( 9682 PWs) bands (ev): -46.6166 -46.6166 -45.8800 -45.8800 -45.7628 -45.7628 -25.8505 -25.8505 -25.1877 -25.1877 -25.0626 -25.0626 -24.1666 -24.1666 -23.9743 -23.9743 -23.5108 -23.5108 -23.5004 -23.5004 -23.3430 -23.3430 -22.9707 -22.9707 -5.7165 -5.7165 -5.4559 -5.4559 -5.2875 -5.2875 -5.1831 -5.1831 -4.9941 -4.9941 -4.8653 -4.8653 -4.6510 -4.6510 -4.4768 -4.4768 -4.4216 -4.4216 -4.3795 -4.3795 -0.3539 -0.3539 1.8824 1.8824 1.9450 1.9450 2.5308 2.5308 2.7990 2.7990 2.9807 2.9807 3.1342 3.1342 3.3476 3.3476 3.4894 3.4894 3.7550 3.7550 3.9000 3.9000 3.9195 3.9195 4.1173 4.1173 4.1809 4.1809 k = 0.4167-0.0000 0.3372 ( 9690 PWs) bands (ev): -46.6166 -46.6166 -45.8723 -45.8723 -45.7708 -45.7708 -25.8508 -25.8508 -25.1758 -25.1758 -25.0661 -25.0661 -24.1669 -24.1669 -23.9747 -23.9747 -23.5048 -23.5048 -23.4730 -23.4730 -23.3428 -23.3428 -23.0169 -23.0169 -5.7104 -5.7104 -5.4550 -5.4550 -5.2866 -5.2866 -5.1830 -5.1830 -4.9875 -4.9875 -4.8640 -4.8640 -4.6510 -4.6510 -4.4767 -4.4767 -4.4215 -4.4215 -4.3791 -4.3791 -0.3115 -0.3115 1.8249 1.8249 1.9849 1.9849 2.5156 2.5156 2.8524 2.8524 2.9530 2.9530 3.2130 3.2130 3.3425 3.3425 3.4648 3.4648 3.7714 3.7714 3.8815 3.8815 4.0708 4.0708 4.1184 4.1184 4.2150 4.2150 k = 0.4333-0.0000 0.3372 ( 9702 PWs) bands (ev): -46.6166 -46.6166 -45.8647 -45.8647 -45.7786 -45.7786 -25.8510 -25.8510 -25.1651 -25.1651 -25.0698 -25.0698 -24.1672 -24.1672 -23.9750 -23.9750 -23.5004 -23.5004 -23.4469 -23.4469 -23.3381 -23.3381 -23.0626 -23.0626 -5.7054 -5.7054 -5.4542 -5.4542 -5.2859 -5.2859 -5.1829 -5.1829 -4.9820 -4.9820 -4.8628 -4.8628 -4.6510 -4.6510 -4.4766 -4.4766 -4.4215 -4.4215 -4.3788 -4.3788 -0.2739 -0.2739 1.7719 1.7719 2.0215 2.0215 2.5031 2.5031 2.9067 2.9067 2.9270 2.9270 3.2913 3.2913 3.3274 3.3274 3.4417 3.4417 3.7838 3.7838 3.8554 3.8554 4.1320 4.1320 4.2255 4.2255 4.2523 4.2523 k = 0.4500-0.0000 0.3372 ( 9714 PWs) bands (ev): -46.6166 -46.6166 -45.8576 -45.8576 -45.7859 -45.7859 -25.8511 -25.8511 -25.1560 -25.1560 -25.0735 -25.0735 -24.1674 -24.1674 -23.9753 -23.9753 -23.4969 -23.4969 -23.4263 -23.4263 -23.3258 -23.3258 -23.1074 -23.1074 -5.7014 -5.7014 -5.4537 -5.4537 -5.2854 -5.2854 -5.1829 -5.1829 -4.9776 -4.9776 -4.8619 -4.8619 -4.6510 -4.6510 -4.4766 -4.4766 -4.4214 -4.4214 -4.3785 -4.3785 -0.2426 -0.2426 1.7276 1.7276 2.0519 2.0519 2.4933 2.4933 2.9024 2.9024 2.9641 2.9641 3.2954 3.2954 3.3698 3.3698 3.4267 3.4267 3.7928 3.7928 3.8214 3.8214 4.1540 4.1540 4.2532 4.2532 4.3035 4.3035 k = 0.4667-0.0000 0.3372 ( 9726 PWs) bands (ev): -46.6166 -46.6166 -45.8514 -45.8514 -45.7922 -45.7922 -25.8512 -25.8512 -25.1488 -25.1488 -25.0767 -25.0767 -24.1675 -24.1675 -23.9755 -23.9755 -23.4942 -23.4942 -23.4136 -23.4136 -23.3038 -23.3038 -23.1507 -23.1507 -5.6986 -5.6986 -5.4533 -5.4533 -5.2850 -5.2850 -5.1828 -5.1828 -4.9744 -4.9744 -4.8612 -4.8612 -4.6510 -4.6510 -4.4766 -4.4766 -4.4214 -4.4214 -4.3784 -4.3784 -0.2189 -0.2189 1.6942 1.6942 2.0749 2.0749 2.4864 2.4864 2.8841 2.8841 3.0205 3.0205 3.2527 3.2527 3.4146 3.4146 3.4471 3.4471 3.7741 3.7741 3.8049 3.8049 4.1762 4.1762 4.2467 4.2467 4.2911 4.2911 k = 0.4833-0.0000 0.3372 ( 9740 PWs) bands (ev): -46.6166 -46.6166 -45.8470 -45.8470 -45.7967 -45.7967 -25.8513 -25.8513 -25.1440 -25.1440 -25.0790 -25.0790 -24.1676 -24.1676 -23.9756 -23.9756 -23.4925 -23.4925 -23.4076 -23.4076 -23.2743 -23.2743 -23.1914 -23.1914 -5.6970 -5.6970 -5.4530 -5.4530 -5.2848 -5.2848 -5.1828 -5.1828 -4.9725 -4.9725 -4.8608 -4.8608 -4.6510 -4.6510 -4.4766 -4.4766 -4.4214 -4.4214 -4.3783 -4.3783 -0.2041 -0.2041 1.6735 1.6735 2.0892 2.0892 2.4822 2.4822 2.8725 2.8725 3.0753 3.0753 3.2041 3.2041 3.4128 3.4128 3.5077 3.5077 3.7312 3.7312 3.8087 3.8087 4.1907 4.1907 4.2445 4.2445 4.2684 4.2684 k = 0.5000-0.0000 0.3372 ( 9732 PWs) bands (ev): -46.6166 -46.6166 -45.8453 -45.8453 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6964 -5.6964 -5.4529 -5.4529 -5.2847 -5.2847 -5.1828 -5.1828 -4.9718 -4.9718 -4.8607 -4.8607 -4.6509 -4.6509 -4.4766 -4.4766 -4.4213 -4.4213 -4.3783 -4.3783 -0.1991 -0.1991 1.6664 1.6664 2.0941 2.0941 2.4808 2.4808 2.8684 2.8684 3.1105 3.1105 3.1706 3.1706 3.4120 3.4120 3.5364 3.5364 3.7085 3.7085 3.8103 3.8103 4.1949 4.1949 4.2464 4.2464 4.2595 4.2595 k = 0.5000-0.0000 0.3372 ( 9732 PWs) bands (ev): -46.6166 -46.6166 -45.8453 -45.8453 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6964 -5.6964 -5.4529 -5.4529 -5.2847 -5.2847 -5.1828 -5.1828 -4.9718 -4.9718 -4.8607 -4.8607 -4.6509 -4.6509 -4.4766 -4.4766 -4.4213 -4.4213 -4.3783 -4.3783 -0.1991 -0.1991 1.6664 1.6664 2.0941 2.0941 2.4808 2.4808 2.8684 2.8684 3.1105 3.1105 3.1706 3.1706 3.4120 3.4120 3.5364 3.5364 3.7085 3.7085 3.8103 3.8103 4.1949 4.1949 4.2464 4.2464 4.2595 4.2595 k = 0.5000 0.0163 0.3372 ( 9720 PWs) bands (ev): -46.6166 -46.6166 -45.8453 -45.8453 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6963 -5.6963 -5.4528 -5.4528 -5.2843 -5.2843 -5.1828 -5.1828 -4.9719 -4.9719 -4.8606 -4.8606 -4.6509 -4.6509 -4.4766 -4.4766 -4.4215 -4.4215 -4.3786 -4.3786 -0.1980 -0.1980 1.6673 1.6673 2.0946 2.0946 2.4668 2.4668 2.8691 2.8691 3.1107 3.1107 3.1828 3.1828 3.4125 3.4125 3.5358 3.5358 3.7055 3.7055 3.8135 3.8135 4.1951 4.1951 4.2467 4.2467 4.2594 4.2594 k = 0.5000 0.0325 0.3372 ( 9712 PWs) bands (ev): -46.6166 -46.6166 -45.8453 -45.8453 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6960 -5.6960 -5.4524 -5.4524 -5.2833 -5.2833 -5.1826 -5.1826 -4.9721 -4.9721 -4.8605 -4.8605 -4.6509 -4.6509 -4.4766 -4.4766 -4.4220 -4.4220 -4.3797 -4.3797 -0.1946 -0.1946 1.6699 1.6699 2.0963 2.0963 2.4277 2.4277 2.8710 2.8710 3.1114 3.1114 3.2164 3.2164 3.4139 3.4139 3.5341 3.5341 3.6977 3.6977 3.8223 3.8223 4.1957 4.1957 4.2475 4.2475 4.2592 4.2592 k = 0.5000 0.0488 0.3372 ( 9724 PWs) bands (ev): -46.6166 -46.6166 -45.8453 -45.8453 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6957 -5.6957 -5.4518 -5.4518 -5.2818 -5.2818 -5.1825 -5.1825 -4.9726 -4.9726 -4.8604 -4.8604 -4.6511 -4.6511 -4.4766 -4.4766 -4.4229 -4.4229 -4.3814 -4.3814 -0.1889 -0.1889 1.6743 1.6743 2.0990 2.0990 2.3698 2.3698 2.8741 2.8741 3.1125 3.1125 3.2653 3.2653 3.4163 3.4163 3.5312 3.5312 3.6867 3.6867 3.8348 3.8348 4.1966 4.1966 4.2490 4.2490 4.2588 4.2588 k = 0.5000 0.0650 0.3372 ( 9732 PWs) bands (ev): -46.6166 -46.6166 -45.8453 -45.8453 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6951 -5.6951 -5.4510 -5.4510 -5.2795 -5.2795 -5.1823 -5.1823 -4.9733 -4.9733 -4.8602 -4.8602 -4.6512 -4.6512 -4.4767 -4.4767 -4.4241 -4.4241 -4.3840 -4.3840 -0.1809 -0.1809 1.6803 1.6803 2.1025 2.1025 2.2993 2.2993 2.8785 2.8785 3.1141 3.1141 3.3232 3.3232 3.4198 3.4198 3.5272 3.5272 3.6740 3.6740 3.8497 3.8497 4.1977 4.1977 4.2509 4.2509 4.2585 4.2585 k = 0.5000 0.0813 0.3372 ( 9728 PWs) bands (ev): -46.6166 -46.6166 -45.8453 -45.8453 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6945 -5.6945 -5.4499 -5.4499 -5.2767 -5.2767 -5.1819 -5.1819 -4.9741 -4.9741 -4.8599 -4.8599 -4.6514 -4.6514 -4.4767 -4.4767 -4.4256 -4.4256 -4.3870 -4.3870 -0.1707 -0.1707 1.6879 1.6879 2.1060 2.1060 2.2217 2.2217 2.8840 2.8840 3.1161 3.1161 3.3854 3.3854 3.4245 3.4245 3.5222 3.5222 3.6604 3.6604 3.8661 3.8661 4.1988 4.1988 4.2528 4.2528 4.2588 4.2588 k = 0.5000 0.0975 0.3372 ( 9720 PWs) bands (ev): -46.6166 -46.6166 -45.8453 -45.8453 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6937 -5.6937 -5.4487 -5.4487 -5.2732 -5.2732 -5.1816 -5.1816 -4.9751 -4.9751 -4.8596 -4.8596 -4.6515 -4.6515 -4.4768 -4.4768 -4.4274 -4.4274 -4.3907 -4.3907 -0.1582 -0.1582 1.6969 1.6969 2.1014 2.1014 2.1481 2.1481 2.8907 2.8907 3.1185 3.1185 3.4288 3.4288 3.4499 3.4499 3.5165 3.5165 3.6467 3.6467 3.8834 3.8834 4.1999 4.1999 4.2535 4.2535 4.2608 4.2608 k = 0.5000 0.1138 0.3372 ( 9696 PWs) bands (ev): -46.6166 -46.6166 -45.8452 -45.8452 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6928 -5.6928 -5.4472 -5.4472 -5.2691 -5.2691 -5.1811 -5.1811 -4.9762 -4.9762 -4.8592 -4.8592 -4.6515 -4.6515 -4.4768 -4.4768 -4.4294 -4.4294 -4.3950 -4.3950 -0.1434 -0.1434 1.7073 1.7073 2.0395 2.0395 2.1297 2.1297 2.8986 2.8986 3.1213 3.1213 3.4360 3.4360 3.5037 3.5037 3.5173 3.5173 3.6336 3.6336 3.9013 3.9013 4.2008 4.2008 4.2530 4.2530 4.2644 4.2644 k = 0.5000 0.1301 0.3372 ( 9696 PWs) bands (ev): -46.6166 -46.6166 -45.8452 -45.8452 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6918 -5.6918 -5.4456 -5.4456 -5.2645 -5.2645 -5.1806 -5.1806 -4.9776 -4.9776 -4.8588 -4.8588 -4.6516 -4.6516 -4.4769 -4.4769 -4.4317 -4.4317 -4.3999 -4.3999 -0.1263 -0.1263 1.7186 1.7186 1.9534 1.9534 2.1349 2.1349 2.9074 2.9074 3.1245 3.1245 3.4439 3.4439 3.5001 3.5001 3.5692 3.5692 3.6246 3.6246 3.9197 3.9197 4.2014 4.2014 4.2518 4.2518 4.2687 4.2687 k = 0.5000 0.1463 0.3372 ( 9708 PWs) bands (ev): -46.6166 -46.6166 -45.8453 -45.8453 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6908 -5.6908 -5.4440 -5.4440 -5.2595 -5.2595 -5.1802 -5.1802 -4.9793 -4.9793 -4.8584 -4.8584 -4.6516 -4.6516 -4.4769 -4.4769 -4.4343 -4.4343 -4.4052 -4.4052 -0.1069 -0.1069 1.7299 1.7299 1.8655 1.8655 2.1430 2.1430 2.9173 2.9173 3.1280 3.1280 3.4531 3.4531 3.4915 3.4915 3.5918 3.5918 3.6463 3.6463 3.9383 3.9383 4.2017 4.2017 4.2503 4.2503 4.2727 4.2727 k = 0.5000 0.1626 0.3372 ( 9708 PWs) bands (ev): -46.6166 -46.6166 -45.8453 -45.8453 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6897 -5.6897 -5.4422 -5.4422 -5.2539 -5.2539 -5.1796 -5.1796 -4.9811 -4.9811 -4.8580 -4.8580 -4.6516 -4.6516 -4.4770 -4.4770 -4.4370 -4.4370 -4.4109 -4.4109 -0.0853 -0.0853 1.7341 1.7341 1.7853 1.7853 2.1522 2.1522 2.9281 2.9281 3.1318 3.1318 3.4636 3.4636 3.4819 3.4819 3.5831 3.5831 3.6965 3.6965 3.9571 3.9571 4.2016 4.2016 4.2485 4.2485 4.2753 4.2753 k = 0.5000 0.1788 0.3372 ( 9696 PWs) bands (ev): -46.6166 -46.6166 -45.8452 -45.8452 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6886 -5.6886 -5.4403 -5.4403 -5.2479 -5.2479 -5.1791 -5.1791 -4.9831 -4.9831 -4.8575 -4.8575 -4.6514 -4.6514 -4.4771 -4.4771 -4.4398 -4.4398 -4.4170 -4.4170 -0.0613 -0.0613 1.6758 1.6758 1.7686 1.7686 2.1621 2.1621 2.9397 2.9397 3.1358 3.1358 3.4715 3.4715 3.4757 3.4757 3.5707 3.5707 3.7471 3.7471 3.9758 3.9758 4.2012 4.2012 4.2463 4.2463 4.2749 4.2749 k = 0.5000 0.1951 0.3372 ( 9688 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6875 -5.6875 -5.4384 -5.4384 -5.2415 -5.2415 -5.1785 -5.1785 -4.9854 -4.9854 -4.8570 -4.8570 -4.6511 -4.6511 -4.4771 -4.4771 -4.4427 -4.4427 -4.4234 -4.4234 -0.0352 -0.0352 1.5901 1.5901 1.7808 1.7808 2.1726 2.1726 2.9521 2.9521 3.1400 3.1400 3.4605 3.4605 3.4893 3.4893 3.5578 3.5578 3.7947 3.7947 3.9943 3.9943 4.2004 4.2004 4.2432 4.2432 4.2705 4.2705 k = 0.5000 0.2113 0.3372 ( 9688 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6863 -5.6863 -5.4365 -5.4365 -5.2348 -5.2348 -5.1779 -5.1779 -4.9879 -4.9879 -4.8564 -4.8564 -4.6507 -4.6507 -4.4772 -4.4772 -4.4457 -4.4457 -4.4299 -4.4299 -0.0067 -0.0067 1.5035 1.5035 1.7955 1.7955 2.1834 2.1834 2.9651 2.9651 3.1443 3.1443 3.4490 3.4490 3.5046 3.5046 3.5452 3.5452 3.8386 3.8386 4.0125 4.0125 4.1993 4.1993 4.2382 4.2382 4.2629 4.2629 k = 0.5000 0.2276 0.3372 ( 9680 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6852 -5.6852 -5.4346 -5.4346 -5.2279 -5.2279 -5.1773 -5.1773 -4.9905 -4.9905 -4.8559 -4.8559 -4.6502 -4.6502 -4.4773 -4.4773 -4.4488 -4.4488 -4.4365 -4.4365 0.0239 0.0239 1.4180 1.4180 1.8107 1.8107 2.1942 2.1942 2.9786 2.9786 3.1486 3.1486 3.4370 3.4370 3.5213 3.5213 3.5333 3.5333 3.8788 3.8788 4.0302 4.0302 4.1977 4.1977 4.2287 4.2287 4.2556 4.2556 k = 0.5000 0.2439 0.3372 ( 9676 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6842 -5.6842 -5.4327 -5.4327 -5.2209 -5.2209 -5.1768 -5.1768 -4.9933 -4.9933 -4.8554 -4.8554 -4.6495 -4.6495 -4.4774 -4.4774 -4.4517 -4.4517 -4.4431 -4.4431 0.0567 0.0567 1.3344 1.3344 1.8260 1.8260 2.2050 2.2050 2.9924 2.9924 3.1529 3.1529 3.4246 3.4246 3.5205 3.5205 3.5415 3.5415 3.9152 3.9152 4.0473 4.0473 4.1958 4.1958 4.2131 4.2131 4.2507 4.2507 k = 0.5000 0.2601 0.3372 ( 9684 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6832 -5.6832 -5.4310 -5.4310 -5.2138 -5.2138 -5.1763 -5.1763 -4.9964 -4.9964 -4.8550 -4.8550 -4.6487 -4.6487 -4.4775 -4.4775 -4.4546 -4.4546 -4.4496 -4.4496 0.0915 0.0915 1.2529 1.2529 1.8409 1.8409 2.2156 2.2156 3.0065 3.0065 3.1571 3.1571 3.4121 3.4121 3.5096 3.5096 3.5626 3.5626 3.9479 3.9479 4.0636 4.0636 4.1925 4.1925 4.1935 4.1935 4.2478 4.2478 k = 0.5000 0.2764 0.3372 ( 9664 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6822 -5.6822 -5.4292 -5.4292 -5.2068 -5.2068 -5.1757 -5.1757 -4.9994 -4.9994 -4.8545 -4.8545 -4.6478 -4.6478 -4.4776 -4.4776 -4.4575 -4.4575 -4.4558 -4.4558 0.1283 0.1283 1.1740 1.1740 1.8552 1.8552 2.2257 2.2257 3.0205 3.0205 3.1610 3.1610 3.3995 3.3995 3.4993 3.4993 3.5859 3.5859 3.9770 3.9770 4.0788 4.0788 4.1683 4.1683 4.1907 4.1907 4.2459 4.2459 k = 0.5000 0.2926 0.3372 ( 9652 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6813 -5.6813 -5.4277 -5.4277 -5.2000 -5.2000 -5.1753 -5.1753 -5.0025 -5.0025 -4.8540 -4.8540 -4.6468 -4.6468 -4.4778 -4.4778 -4.4619 -4.4619 -4.4597 -4.4597 0.1668 0.1668 1.0979 1.0979 1.8686 1.8686 2.2352 2.2352 3.0344 3.0344 3.1647 3.1647 3.3871 3.3871 3.4899 3.4899 3.6114 3.6114 4.0022 4.0022 4.0929 4.0929 4.1415 4.1415 4.1875 4.1875 4.2445 4.2445 k = 0.5000 0.3089 0.3372 ( 9640 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6805 -5.6805 -5.4263 -5.4263 -5.1936 -5.1936 -5.1748 -5.1748 -5.0055 -5.0055 -4.8536 -4.8536 -4.6457 -4.6457 -4.4780 -4.4780 -4.4672 -4.4672 -4.4621 -4.4621 0.2068 0.2068 1.0253 1.0253 1.8808 1.8808 2.2438 2.2438 3.0477 3.0477 3.1680 3.1680 3.3752 3.3752 3.4814 3.4814 3.6391 3.6391 4.0224 4.0224 4.1054 4.1054 4.1137 4.1137 4.1838 4.1838 4.2434 4.2434 k = 0.5000 0.3252 0.3372 ( 9640 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6799 -5.6799 -5.4250 -5.4250 -5.1878 -5.1878 -5.1744 -5.1744 -5.0085 -5.0085 -4.8532 -4.8532 -4.6447 -4.6447 -4.4786 -4.4786 -4.4716 -4.4716 -4.4641 -4.4641 0.2475 0.2475 0.9566 0.9566 1.8915 1.8915 2.2515 2.2515 3.0603 3.0603 3.1709 3.1709 3.3639 3.3639 3.4740 3.4740 3.6687 3.6687 4.0327 4.0327 4.0906 4.0906 4.1164 4.1164 4.1796 4.1796 4.2426 4.2426 k = 0.5000 0.3414 0.3372 ( 9636 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6793 -5.6793 -5.4240 -5.4240 -5.1827 -5.1827 -5.1741 -5.1741 -5.0111 -5.0111 -4.8529 -4.8529 -4.6438 -4.6438 -4.4799 -4.4799 -4.4746 -4.4746 -4.4659 -4.4659 0.2882 0.2882 0.8930 0.8930 1.9006 1.9006 2.2580 2.2580 3.0716 3.0716 3.1734 3.1734 3.3537 3.3537 3.4678 3.4678 3.6999 3.6999 4.0201 4.0201 4.0859 4.0859 4.1254 4.1254 4.1750 4.1750 4.2421 4.2421 k = 0.5000 0.3577 0.3372 ( 9632 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6788 -5.6788 -5.4232 -5.4232 -5.1785 -5.1785 -5.1737 -5.1737 -5.0133 -5.0133 -4.8527 -4.8527 -4.6430 -4.6430 -4.4821 -4.4821 -4.4759 -4.4759 -4.4673 -4.4673 0.3272 0.3272 0.8361 0.8361 1.9079 1.9079 2.2633 2.2633 3.0812 3.0812 3.1753 3.1753 3.3450 3.3450 3.4629 3.4629 3.7321 3.7321 3.9910 3.9910 4.0946 4.0946 4.1325 4.1325 4.1701 4.1701 4.2418 4.2418 k = 0.5000 0.3739 0.3372 ( 9628 PWs) bands (ev): -46.6165 -46.6165 -45.8451 -45.8451 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6785 -5.6785 -5.4226 -5.4226 -5.1757 -5.1757 -5.1732 -5.1732 -5.0150 -5.0150 -4.8525 -4.8525 -4.6424 -4.6424 -4.4842 -4.4842 -4.4764 -4.4764 -4.4683 -4.4683 0.3615 0.3615 0.7889 0.7889 1.9133 1.9133 2.2671 2.2671 3.0886 3.0886 3.1766 3.1766 3.3383 3.3383 3.4593 3.4593 3.7638 3.7638 3.9587 3.9587 4.1047 4.1047 4.1373 4.1373 4.1654 4.1654 4.2416 4.2416 k = 0.5000 0.3902 0.3372 ( 9628 PWs) bands (ev): -46.6165 -46.6165 -45.8451 -45.8451 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6783 -5.6783 -5.4222 -5.4222 -5.1745 -5.1745 -5.1723 -5.1723 -5.0161 -5.0161 -4.8524 -4.8524 -4.6420 -4.6420 -4.4856 -4.4856 -4.4766 -4.4766 -4.4689 -4.4689 0.3864 0.3864 0.7563 0.7563 1.9165 1.9165 2.2694 2.2694 3.0933 3.0933 3.1774 3.1774 3.3340 3.3340 3.4571 3.4571 3.7908 3.7908 3.9307 3.9307 4.1125 4.1125 4.1398 4.1398 4.1618 4.1618 4.2415 4.2415 k = 0.5000 0.4064 0.3372 ( 9624 PWs) bands (ev): -46.6165 -46.6165 -45.8451 -45.8451 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6783 -5.6783 -5.4221 -5.4221 -5.1742 -5.1742 -5.1718 -5.1718 -5.0165 -5.0165 -4.8523 -4.8523 -4.6419 -4.6419 -4.4861 -4.4861 -4.4766 -4.4766 -4.4691 -4.4691 0.3958 0.3958 0.7444 0.7444 1.9176 1.9176 2.2702 2.2702 3.0949 3.0949 3.1777 3.1777 3.3325 3.3325 3.4564 3.4564 3.8030 3.8030 3.9181 3.9181 4.1156 4.1156 4.1404 4.1404 4.1604 4.1604 4.2414 4.2414 k = 0.5000 0.4064 0.3372 ( 9624 PWs) bands (ev): -46.6165 -46.6165 -45.8451 -45.8451 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6783 -5.6783 -5.4221 -5.4221 -5.1742 -5.1742 -5.1718 -5.1718 -5.0165 -5.0165 -4.8523 -4.8523 -4.6419 -4.6419 -4.4861 -4.4861 -4.4766 -4.4766 -4.4691 -4.4691 0.3958 0.3958 0.7444 0.7444 1.9176 1.9176 2.2702 2.2702 3.0949 3.0949 3.1777 3.1777 3.3325 3.3325 3.4564 3.4564 3.8030 3.8030 3.9181 3.9181 4.1156 4.1156 4.1404 4.1404 4.1604 4.1604 4.2414 4.2414 k = 0.4833 0.4064 0.3372 ( 9628 PWs) bands (ev): -46.6165 -46.6165 -45.8468 -45.8468 -45.7966 -45.7966 -25.8513 -25.8513 -25.1440 -25.1440 -25.0790 -25.0790 -24.1677 -24.1677 -23.9756 -23.9756 -23.4926 -23.4926 -23.4077 -23.4077 -23.2743 -23.2743 -23.1914 -23.1914 -5.6789 -5.6789 -5.4222 -5.4222 -5.1743 -5.1743 -5.1718 -5.1718 -5.0172 -5.0172 -4.8525 -4.8525 -4.6419 -4.6419 -4.4861 -4.4861 -4.4766 -4.4766 -4.4691 -4.4691 0.3881 0.3881 0.7439 0.7439 1.9271 1.9271 2.2664 2.2664 3.0972 3.0972 3.1788 3.1788 3.3137 3.3137 3.4690 3.4690 3.8000 3.8000 3.9175 3.9175 4.1061 4.1061 4.1360 4.1360 4.1624 4.1624 4.2451 4.2451 k = 0.4667 0.4064 0.3372 ( 9656 PWs) bands (ev): -46.6165 -46.6165 -45.8514 -45.8514 -45.7921 -45.7921 -25.8512 -25.8512 -25.1488 -25.1488 -25.0767 -25.0767 -24.1676 -24.1676 -23.9755 -23.9755 -23.4942 -23.4942 -23.4136 -23.4136 -23.3038 -23.3038 -23.1507 -23.1507 -5.6808 -5.6808 -5.4225 -5.4225 -5.1744 -5.1744 -5.1719 -5.1719 -5.0194 -5.0194 -4.8531 -4.8531 -4.6420 -4.6420 -4.4861 -4.4861 -4.4768 -4.4768 -4.4691 -4.4691 0.3658 0.3658 0.7425 0.7425 1.9549 1.9549 2.2552 2.2552 3.1039 3.1039 3.1821 3.1821 3.2710 3.2710 3.4934 3.4934 3.7919 3.7919 3.9151 3.9151 4.0809 4.0809 4.1191 4.1191 4.1712 4.1712 4.2565 4.2565 k = 0.4500 0.4064 0.3372 ( 9652 PWs) bands (ev): -46.6165 -46.6165 -45.8575 -45.8575 -45.7858 -45.7858 -25.8511 -25.8511 -25.1560 -25.1560 -25.0735 -25.0735 -24.1674 -24.1674 -23.9753 -23.9753 -23.4969 -23.4969 -23.4263 -23.4263 -23.3258 -23.3258 -23.1074 -23.1074 -5.6838 -5.6838 -5.4229 -5.4229 -5.1744 -5.1744 -5.1719 -5.1719 -5.0229 -5.0229 -4.8538 -4.8538 -4.6420 -4.6420 -4.4860 -4.4860 -4.4768 -4.4768 -4.4691 -4.4691 0.3308 0.3308 0.7402 0.7402 1.9984 1.9984 2.2368 2.2368 3.1138 3.1138 3.1849 3.1849 3.2214 3.2214 3.5170 3.5170 3.7803 3.7803 3.9091 3.9091 4.0468 4.0468 4.0887 4.0887 4.1845 4.1845 4.2755 4.2755 k = 0.4333 0.4064 0.3372 ( 9656 PWs) bands (ev): -46.6165 -46.6165 -45.8646 -45.8646 -45.7786 -45.7786 -25.8510 -25.8510 -25.1651 -25.1651 -25.0698 -25.0698 -24.1672 -24.1672 -23.9750 -23.9750 -23.5004 -23.5004 -23.4469 -23.4469 -23.3381 -23.3381 -23.0626 -23.0626 -5.6880 -5.6880 -5.4236 -5.4236 -5.1744 -5.1744 -5.1718 -5.1718 -5.0276 -5.0276 -4.8550 -4.8550 -4.6421 -4.6421 -4.4860 -4.4860 -4.4770 -4.4770 -4.4691 -4.4691 0.2856 0.2856 0.7370 0.7370 2.0536 2.0536 2.2120 2.2120 3.1218 3.1218 3.1557 3.1557 3.2070 3.2070 3.5356 3.5356 3.7670 3.7670 3.8962 3.8962 4.0124 4.0124 4.0425 4.0425 4.1963 4.1963 4.2923 4.2924 k = 0.4167 0.4064 0.3372 ( 9672 PWs) bands (ev): -46.6166 -46.6166 -45.8722 -45.8722 -45.7708 -45.7708 -25.8508 -25.8508 -25.1758 -25.1758 -25.0661 -25.0661 -24.1669 -24.1669 -23.9747 -23.9747 -23.5048 -23.5048 -23.4730 -23.4730 -23.3428 -23.3428 -23.0169 -23.0169 -5.6934 -5.6934 -5.4243 -5.4243 -5.1745 -5.1745 -5.1719 -5.1719 -5.0337 -5.0337 -4.8564 -4.8564 -4.6422 -4.6422 -4.4859 -4.4859 -4.4771 -4.4771 -4.4690 -4.4690 0.2329 0.2329 0.7330 0.7330 2.1152 2.1152 2.1823 2.1823 3.0826 3.0826 3.1483 3.1483 3.2211 3.2211 3.5485 3.5485 3.7537 3.7537 3.8725 3.8725 3.9709 3.9709 3.9861 3.9861 4.1826 4.1826 4.2131 4.2131 k = 0.4000 0.4064 0.3372 ( 9664 PWs) bands (ev): -46.6166 -46.6166 -45.8800 -45.8800 -45.7628 -45.7628 -25.8505 -25.8505 -25.1877 -25.1877 -25.0626 -25.0626 -24.1666 -24.1666 -23.9743 -23.9743 -23.5108 -23.5108 -23.5004 -23.5004 -23.3430 -23.3430 -22.9707 -22.9707 -5.6998 -5.6998 -5.4252 -5.4252 -5.1746 -5.1746 -5.1718 -5.1718 -5.0409 -5.0409 -4.8579 -4.8579 -4.6423 -4.6423 -4.4858 -4.4858 -4.4773 -4.4773 -4.4690 -4.4690 0.1751 0.1751 0.7280 0.7280 2.1375 2.1375 2.1891 2.1891 3.0192 3.0192 3.1603 3.1603 3.2436 3.2436 3.5560 3.5560 3.7415 3.7415 3.8383 3.8383 3.8724 3.8724 3.9696 3.9696 4.1163 4.1163 4.2048 4.2048 k = 0.3833 0.4064 0.3372 ( 9652 PWs) bands (ev): -46.6166 -46.6166 -45.8879 -45.8879 -45.7547 -45.7547 -25.8503 -25.8503 -25.2005 -25.2005 -25.0594 -25.0594 -24.1663 -24.1663 -23.9738 -23.9738 -23.5324 -23.5324 -23.5131 -23.5131 -23.3408 -23.3408 -22.9241 -22.9241 -5.7074 -5.7074 -5.4263 -5.4263 -5.1746 -5.1746 -5.1718 -5.1718 -5.0490 -5.0490 -4.8598 -4.8598 -4.6425 -4.6425 -4.4856 -4.4856 -4.4774 -4.4774 -4.4689 -4.4689 0.1142 0.1142 0.7223 0.7223 2.0976 2.0976 2.2510 2.2510 2.9534 2.9534 3.1688 3.1688 3.2746 3.2746 3.5587 3.5587 3.7309 3.7309 3.7617 3.7617 3.8030 3.8030 3.9600 3.9600 4.0690 4.0690 4.1936 4.1936 k = 0.3667 0.4064 0.3372 ( 9656 PWs) bands (ev): -46.6167 -46.6167 -45.8957 -45.8957 -45.7467 -45.7467 -25.8500 -25.8500 -25.2143 -25.2143 -25.0564 -25.0564 -24.1659 -24.1659 -23.9733 -23.9733 -23.5605 -23.5605 -23.5189 -23.5189 -23.3372 -23.3372 -22.8774 -22.8774 -5.7160 -5.7160 -5.4274 -5.4274 -5.1747 -5.1747 -5.1717 -5.1717 -5.0581 -5.0581 -4.8618 -4.8618 -4.6426 -4.6426 -4.4855 -4.4855 -4.4776 -4.4776 -4.4688 -4.4688 0.0519 0.0519 0.7159 0.7159 2.0501 2.0501 2.3091 2.3091 2.8870 2.8870 3.1665 3.1665 3.3152 3.3152 3.5574 3.5574 3.6634 3.6634 3.7227 3.7227 3.7682 3.7682 3.9537 3.9537 4.0328 4.0328 4.1767 4.1767 k = 0.3500 0.4064 0.3372 ( 9676 PWs) bands (ev): -46.6168 -46.6168 -45.9034 -45.9034 -45.7387 -45.7387 -25.8496 -25.8496 -25.2287 -25.2287 -25.0539 -25.0539 -24.1654 -24.1654 -23.9727 -23.9727 -23.5879 -23.5879 -23.5245 -23.5245 -23.3327 -23.3327 -22.8310 -22.8310 -5.7257 -5.7257 -5.4288 -5.4288 -5.1748 -5.1748 -5.1717 -5.1717 -5.0679 -5.0679 -4.8640 -4.8640 -4.6428 -4.6428 -4.4854 -4.4854 -4.4779 -4.4779 -4.4687 -4.4687 -0.0105 -0.0105 0.7089 0.7089 1.9974 1.9974 2.3577 2.3577 2.8211 2.8211 3.1447 3.1447 3.3646 3.3646 3.5527 3.5527 3.5899 3.5899 3.7166 3.7166 3.7423 3.7423 3.9488 3.9488 4.0028 4.0028 4.1562 4.1562 k = 0.3333 0.4064 0.3372 ( 9680 PWs) bands (ev): -46.6168 -46.6168 -45.9109 -45.9109 -45.7309 -45.7309 -25.8492 -25.8492 -25.2437 -25.2437 -25.0517 -25.0517 -24.1650 -24.1650 -23.9721 -23.9721 -23.6139 -23.6139 -23.5301 -23.5301 -23.3278 -23.3278 -22.7849 -22.7849 -5.7362 -5.7362 -5.4302 -5.4302 -5.1749 -5.1749 -5.1717 -5.1717 -5.0783 -5.0783 -4.8664 -4.8664 -4.6430 -4.6430 -4.4852 -4.4852 -4.4781 -4.4781 -4.4687 -4.4687 -0.0722 -0.0722 0.7012 0.7012 1.9399 1.9399 2.3939 2.3939 2.7562 2.7562 3.0981 3.0981 3.4179 3.4179 3.5439 3.5439 3.5502 3.5502 3.7132 3.7132 3.7324 3.7324 3.9446 3.9446 3.9770 3.9770 4.1340 4.1340 k = 0.3167 0.4064 0.3372 ( 9660 PWs) bands (ev): -46.6168 -46.6168 -45.9182 -45.9182 -45.7231 -45.7231 -25.8489 -25.8489 -25.2591 -25.2591 -25.0498 -25.0498 -24.1645 -24.1645 -23.9715 -23.9715 -23.6384 -23.6384 -23.5356 -23.5356 -23.3227 -23.3227 -22.7394 -22.7394 -5.7474 -5.7474 -5.4316 -5.4316 -5.1750 -5.1750 -5.1716 -5.1716 -5.0891 -5.0891 -4.8688 -4.8688 -4.6431 -4.6431 -4.4850 -4.4850 -4.4783 -4.4783 -4.4685 -4.4685 -0.1323 -0.1323 0.6932 0.6932 1.8780 1.8780 2.4172 2.4172 2.6929 2.6929 3.0311 3.0311 3.4628 3.4628 3.5335 3.5335 3.5391 3.5391 3.7128 3.7128 3.7506 3.7506 3.9405 3.9405 3.9556 3.9556 4.1112 4.1112 k = 0.3000 0.4064 0.3372 ( 9660 PWs) bands (ev): -46.6169 -46.6169 -45.9253 -45.9253 -45.7157 -45.7157 -25.8484 -25.8484 -25.2748 -25.2748 -25.0483 -25.0483 -24.1639 -24.1639 -23.9708 -23.9708 -23.6613 -23.6613 -23.5412 -23.5412 -23.3174 -23.3174 -22.6948 -22.6948 -5.7594 -5.7594 -5.4332 -5.4332 -5.1751 -5.1751 -5.1716 -5.1716 -5.1002 -5.1002 -4.8713 -4.8713 -4.6433 -4.6433 -4.4848 -4.4848 -4.4785 -4.4785 -4.4684 -4.4684 -0.1904 -0.1904 0.6847 0.6847 1.8121 1.8121 2.4280 2.4280 2.6316 2.6316 2.9540 2.9540 3.4857 3.4857 3.5274 3.5274 3.5416 3.5416 3.7148 3.7148 3.8079 3.8079 3.9340 3.9340 3.9415 3.9415 4.0887 4.0887 k = 0.2833 0.4064 0.3372 ( 9660 PWs) bands (ev): -46.6169 -46.6169 -45.9322 -45.9322 -45.7084 -45.7084 -25.8480 -25.8480 -25.2907 -25.2907 -25.0471 -25.0471 -24.1634 -24.1634 -23.9701 -23.9701 -23.6825 -23.6825 -23.5466 -23.5466 -23.3121 -23.3121 -22.6512 -22.6512 -5.7721 -5.7721 -5.4348 -5.4348 -5.1752 -5.1752 -5.1716 -5.1716 -5.1114 -5.1114 -4.8739 -4.8739 -4.6435 -4.6435 -4.4847 -4.4847 -4.4787 -4.4787 -4.4683 -4.4683 -0.2461 -0.2461 0.6760 0.6760 1.7428 1.7428 2.4280 2.4280 2.5729 2.5729 2.8751 2.8751 3.4886 3.4886 3.5167 3.5167 3.5575 3.5575 3.7188 3.7188 3.8931 3.8931 3.9246 3.9246 3.9436 3.9436 4.0673 4.0673 k = 0.2667 0.4064 0.3372 ( 9660 PWs) bands (ev): -46.6170 -46.6170 -45.9388 -45.9388 -45.7015 -45.7015 -25.8476 -25.8476 -25.3066 -25.3066 -25.0461 -25.0461 -24.1628 -24.1628 -23.9693 -23.9693 -23.7022 -23.7022 -23.5518 -23.5518 -23.3068 -23.3068 -22.6088 -22.6088 -5.7852 -5.7852 -5.4365 -5.4365 -5.1753 -5.1753 -5.1715 -5.1715 -5.1227 -5.1227 -4.8765 -4.8765 -4.6437 -4.6437 -4.4845 -4.4845 -4.4790 -4.4790 -4.4682 -4.4682 -0.2990 -0.2990 0.6670 0.6670 1.6708 1.6708 2.4189 2.4189 2.5173 2.5173 2.7993 2.7993 3.4827 3.4827 3.5049 3.5049 3.5759 3.5759 3.7246 3.7246 3.9132 3.9132 3.9255 3.9255 4.0302 4.0302 4.0477 4.0477 k = 0.2500 0.4064 0.3372 ( 9648 PWs) bands (ev): -46.6170 -46.6170 -45.9451 -45.9451 -45.6948 -45.6948 -25.8472 -25.8472 -25.3224 -25.3224 -25.0453 -25.0453 -24.1623 -24.1623 -23.9686 -23.9686 -23.7202 -23.7202 -23.5569 -23.5569 -23.3017 -23.3017 -22.5679 -22.5679 -5.7986 -5.7986 -5.4382 -5.4382 -5.1754 -5.1754 -5.1715 -5.1715 -5.1337 -5.1337 -4.8791 -4.8791 -4.6439 -4.6439 -4.4843 -4.4843 -4.4792 -4.4792 -4.4680 -4.4680 -0.3489 -0.3489 0.6581 0.6581 1.5970 1.5970 2.4016 2.4016 2.4661 2.4661 2.7286 2.7286 3.4740 3.4740 3.4924 3.4924 3.5925 3.5925 3.7317 3.7317 3.9137 3.9137 3.9227 3.9227 4.0307 4.0307 4.1622 4.1622 k = 0.2333 0.4064 0.3372 ( 9640 PWs) bands (ev): -46.6171 -46.6171 -45.9510 -45.9510 -45.6884 -45.6884 -25.8467 -25.8467 -25.3379 -25.3379 -25.0448 -25.0448 -24.1617 -24.1617 -23.9678 -23.9678 -23.7367 -23.7367 -23.5618 -23.5618 -23.2967 -23.2967 -22.5286 -22.5286 -5.8122 -5.8122 -5.4399 -5.4399 -5.1756 -5.1756 -5.1716 -5.1716 -5.1443 -5.1443 -4.8817 -4.8817 -4.6440 -4.6440 -4.4841 -4.4841 -4.4794 -4.4794 -4.4679 -4.4679 -0.3958 -0.3958 0.6491 0.6491 1.5225 1.5225 2.3755 2.3755 2.4220 2.4220 2.6641 2.6641 3.4648 3.4648 3.4799 3.4799 3.6049 3.6049 3.7395 3.7395 3.9175 3.9175 3.9218 3.9218 4.0176 4.0176 4.3060 4.3060 k = 0.2167 0.4064 0.3372 ( 9648 PWs) bands (ev): -46.6171 -46.6171 -45.9567 -45.9567 -45.6824 -45.6824 -25.8463 -25.8463 -25.3530 -25.3530 -25.0444 -25.0444 -24.1612 -24.1612 -23.9670 -23.9670 -23.7517 -23.7517 -23.5665 -23.5665 -23.2919 -23.2919 -22.4912 -22.4912 -5.8259 -5.8259 -5.4416 -5.4416 -5.1759 -5.1759 -5.1718 -5.1718 -5.1544 -5.1544 -4.8842 -4.8842 -4.6443 -4.6443 -4.4840 -4.4840 -4.4797 -4.4797 -4.4678 -4.4678 -0.4395 -0.4395 0.6403 0.6403 1.4483 1.4483 2.3401 2.3401 2.3872 2.3872 2.6060 2.6060 3.4555 3.4555 3.4684 3.4684 3.6121 3.6121 3.7470 3.7470 3.9134 3.9134 3.9339 3.9339 4.0104 4.0104 4.4571 4.4571 k = 0.2000 0.4064 0.3372 ( 9648 PWs) bands (ev): -46.6172 -46.6172 -45.9620 -45.9620 -45.6768 -45.6768 -25.8459 -25.8459 -25.3676 -25.3676 -25.0442 -25.0442 -24.1607 -24.1607 -23.9663 -23.9663 -23.7653 -23.7653 -23.5708 -23.5708 -23.2874 -23.2874 -22.4557 -22.4557 -5.8394 -5.8394 -5.4433 -5.4433 -5.1765 -5.1765 -5.1723 -5.1723 -5.1632 -5.1632 -4.8867 -4.8867 -4.6445 -4.6445 -4.4839 -4.4839 -4.4799 -4.4799 -4.4677 -4.4677 -0.4799 -0.4799 0.6317 0.6317 1.3755 1.3755 2.3000 2.3000 2.3585 2.3585 2.5540 2.5540 3.4455 3.4455 3.4588 3.4588 3.6145 3.6145 3.7536 3.7536 3.9083 3.9083 3.9473 3.9473 4.0133 4.0133 4.6127 4.6127 k = 0.1833 0.4064 0.3372 ( 9640 PWs) bands (ev): -46.6172 -46.6172 -45.9669 -45.9669 -45.6715 -45.6715 -25.8455 -25.8455 -25.3816 -25.3816 -25.0441 -25.0441 -24.1602 -24.1602 -23.9656 -23.9656 -23.7775 -23.7775 -23.5749 -23.5749 -23.2831 -23.2831 -22.4224 -22.4224 -5.8526 -5.8526 -5.4449 -5.4449 -5.1792 -5.1792 -5.1737 -5.1737 -5.1686 -5.1686 -4.8890 -4.8890 -4.6446 -4.6446 -4.4837 -4.4837 -4.4801 -4.4801 -4.4675 -4.4675 -0.5170 -0.5170 0.6234 0.6234 1.3051 1.3051 2.2600 2.2600 2.3322 2.3322 2.5078 2.5078 3.4347 3.4347 3.4517 3.4517 3.6130 3.6130 3.7588 3.7588 3.9033 3.9033 3.9558 3.9558 4.0306 4.0306 4.6901 4.6901 k = 0.1667 0.4064 0.3372 ( 9648 PWs) bands (ev): -46.6173 -46.6173 -45.9714 -45.9714 -45.6666 -45.6666 -25.8451 -25.8451 -25.3948 -25.3948 -25.0440 -25.0440 -24.1597 -24.1597 -23.9649 -23.9649 -23.7884 -23.7884 -23.5787 -23.5787 -23.2791 -23.2791 -22.3914 -22.3914 -5.8655 -5.8655 -5.4465 -5.4465 -5.1857 -5.1857 -5.1748 -5.1748 -5.1700 -5.1700 -4.8912 -4.8912 -4.6448 -4.6448 -4.4836 -4.4836 -4.4804 -4.4804 -4.4674 -4.4674 -0.5509 -0.5509 0.6155 0.6155 1.2381 1.2381 2.2222 2.2222 2.3073 2.3073 2.4670 2.4670 3.4236 3.4236 3.4464 3.4464 3.6089 3.6089 3.7622 3.7622 3.8986 3.8986 3.9601 3.9601 4.0593 4.0593 4.6994 4.6994 k = 0.1500 0.4064 0.3372 ( 9648 PWs) bands (ev): -46.6173 -46.6173 -45.9756 -45.9756 -45.6621 -45.6621 -25.8447 -25.8447 -25.4071 -25.4071 -25.0441 -25.0441 -24.1593 -24.1593 -23.9642 -23.9642 -23.7980 -23.7980 -23.5822 -23.5822 -23.2754 -23.2754 -22.3629 -22.3629 -5.8776 -5.8776 -5.4480 -5.4480 -5.1932 -5.1932 -5.1752 -5.1752 -5.1703 -5.1703 -4.8933 -4.8933 -4.6449 -4.6449 -4.4835 -4.4835 -4.4806 -4.4806 -4.4673 -4.4673 -0.5814 -0.5814 0.6081 0.6081 1.1752 1.1752 2.1873 2.1873 2.2836 2.2836 2.4312 2.4312 3.4128 3.4128 3.4424 3.4424 3.6032 3.6032 3.7636 3.7636 3.8947 3.8947 3.9636 3.9636 4.0938 4.0938 4.7074 4.7074 k = 0.1333 0.4064 0.3372 ( 9668 PWs) bands (ev): -46.6174 -46.6174 -45.9794 -45.9794 -45.6581 -45.6581 -25.8444 -25.8444 -25.4183 -25.4183 -25.0442 -25.0442 -24.1588 -24.1588 -23.9636 -23.9636 -23.8065 -23.8065 -23.5854 -23.5854 -23.2721 -23.2721 -22.3370 -22.3370 -5.8890 -5.8890 -5.4494 -5.4494 -5.2004 -5.2004 -5.1754 -5.1754 -5.1705 -5.1705 -4.8952 -4.8952 -4.6451 -4.6451 -4.4835 -4.4835 -4.4808 -4.4808 -4.4672 -4.4672 -0.6087 -0.6087 0.6012 0.6012 1.1172 1.1172 2.1556 2.1556 2.2615 2.2615 2.4001 2.4001 3.4028 3.4028 3.4394 3.4394 3.5967 3.5967 3.7631 3.7631 3.8916 3.8916 3.9681 3.9681 4.1303 4.1303 4.7140 4.7140 k = 0.1167 0.4064 0.3372 ( 9676 PWs) bands (ev): -46.6175 -46.6175 -45.9827 -45.9827 -45.6546 -45.6546 -25.8441 -25.8441 -25.4285 -25.4285 -25.0443 -25.0443 -24.1585 -24.1585 -23.9631 -23.9631 -23.8138 -23.8138 -23.5882 -23.5882 -23.2691 -23.2691 -22.3138 -22.3138 -5.8995 -5.8995 -5.4507 -5.4507 -5.2069 -5.2069 -5.1756 -5.1756 -5.1705 -5.1705 -4.8969 -4.8969 -4.6452 -4.6452 -4.4835 -4.4835 -4.4810 -4.4810 -4.4671 -4.4671 -0.6326 -0.6326 0.5950 0.5950 1.0647 1.0647 2.1274 2.1274 2.2413 2.2413 2.3733 2.3733 3.3936 3.3936 3.4371 3.4371 3.5900 3.5900 3.7612 3.7612 3.8893 3.8893 3.9736 3.9736 4.1668 4.1668 4.7196 4.7196 k = 0.1000 0.4064 0.3372 ( 9672 PWs) bands (ev): -46.6175 -46.6175 -45.9856 -45.9856 -45.6514 -45.6514 -25.8438 -25.8438 -25.4376 -25.4376 -25.0445 -25.0445 -24.1581 -24.1581 -23.9626 -23.9626 -23.8200 -23.8200 -23.5906 -23.5906 -23.2665 -23.2665 -22.2935 -22.2935 -5.9088 -5.9088 -5.4518 -5.4518 -5.2126 -5.2126 -5.1757 -5.1757 -5.1705 -5.1705 -4.8985 -4.8985 -4.6453 -4.6453 -4.4834 -4.4834 -4.4811 -4.4811 -4.4670 -4.4670 -0.6534 -0.6534 0.5895 0.5895 1.0183 1.0183 2.1028 2.1028 2.2233 2.2233 2.3506 2.3506 3.3854 3.3854 3.4354 3.4354 3.5837 3.5837 3.7582 3.7582 3.8875 3.8875 3.9799 3.9799 4.2017 4.2017 4.7242 4.7242 k = 0.0833 0.4064 0.3372 ( 9672 PWs) bands (ev): -46.6175 -46.6175 -45.9880 -45.9880 -45.6488 -45.6488 -25.8436 -25.8436 -25.4453 -25.4453 -25.0446 -25.0446 -24.1579 -24.1579 -23.9621 -23.9621 -23.8252 -23.8252 -23.5927 -23.5927 -23.2643 -23.2643 -22.2762 -22.2762 -5.9169 -5.9169 -5.4527 -5.4527 -5.2174 -5.2174 -5.1758 -5.1758 -5.1705 -5.1705 -4.8997 -4.8997 -4.6454 -4.6454 -4.4834 -4.4834 -4.4812 -4.4812 -4.4670 -4.4670 -0.6708 -0.6708 0.5848 0.5848 0.9784 0.9784 2.0818 2.0818 2.2077 2.2077 2.3317 2.3317 3.3784 3.3784 3.4341 3.4341 3.5779 3.5779 3.7549 3.7549 3.8862 3.8862 3.9864 3.9864 4.2337 4.2337 4.7279 4.7279 k = 0.0667 0.4064 0.3372 ( 9664 PWs) bands (ev): -46.6175 -46.6175 -45.9900 -45.9900 -45.6465 -45.6465 -25.8434 -25.8434 -25.4518 -25.4518 -25.0448 -25.0448 -24.1576 -24.1576 -23.9618 -23.9618 -23.8294 -23.8294 -23.5944 -23.5944 -23.2625 -23.2625 -22.2618 -22.2618 -5.9237 -5.9237 -5.4535 -5.4535 -5.2214 -5.2214 -5.1758 -5.1758 -5.1705 -5.1705 -4.9008 -4.9008 -4.6455 -4.6455 -4.4834 -4.4834 -4.4812 -4.4812 -4.4669 -4.4669 -0.6851 -0.6851 0.5808 0.5808 0.9452 0.9452 2.0646 2.0646 2.1947 2.1947 2.3164 2.3164 3.3725 3.3725 3.4332 3.4332 3.5730 3.5730 3.7516 3.7516 3.8851 3.8851 3.9926 3.9926 4.2617 4.2617 4.7308 4.7308 k = 0.0500 0.4064 0.3372 ( 9656 PWs) bands (ev): -46.6176 -46.6176 -45.9916 -45.9916 -45.6448 -45.6448 -25.8432 -25.8432 -25.4568 -25.4568 -25.0449 -25.0449 -24.1574 -24.1574 -23.9615 -23.9615 -23.8326 -23.8326 -23.5958 -23.5958 -23.2610 -23.2610 -22.2506 -22.2506 -5.9290 -5.9290 -5.4542 -5.4542 -5.2246 -5.2246 -5.1759 -5.1759 -5.1705 -5.1705 -4.9016 -4.9016 -4.6455 -4.6455 -4.4833 -4.4833 -4.4813 -4.4813 -4.4668 -4.4668 -0.6962 -0.6962 0.5777 0.5777 0.9192 0.9192 2.0512 2.0512 2.1844 2.1844 2.3047 2.3047 3.3679 3.3679 3.4326 3.4326 3.5690 3.5690 3.7488 3.7488 3.8843 3.8843 3.9980 3.9980 4.2846 4.2846 4.7330 4.7330 k = 0.0333 0.4064 0.3372 ( 9652 PWs) bands (ev): -46.6176 -46.6176 -45.9927 -45.9927 -45.6436 -45.6436 -25.8431 -25.8431 -25.4605 -25.4605 -25.0450 -25.0450 -24.1573 -24.1573 -23.9613 -23.9613 -23.8349 -23.8349 -23.5968 -23.5968 -23.2600 -23.2600 -22.2426 -22.2426 -5.9329 -5.9329 -5.4546 -5.4546 -5.2268 -5.2268 -5.1759 -5.1759 -5.1705 -5.1705 -4.9022 -4.9022 -4.6456 -4.6456 -4.4833 -4.4833 -4.4813 -4.4813 -4.4667 -4.4667 -0.7041 -0.7041 0.5754 0.5754 0.9005 0.9005 2.0416 2.0416 2.1770 2.1770 2.2964 2.2964 3.3646 3.3646 3.4322 3.4322 3.5661 3.5661 3.7465 3.7465 3.8838 3.8838 4.0022 4.0022 4.3017 4.3017 4.7346 4.7346 k = 0.0167 0.4064 0.3372 ( 9640 PWs) bands (ev): -46.6176 -46.6176 -45.9934 -45.9934 -45.6428 -45.6428 -25.8430 -25.8430 -25.4627 -25.4627 -25.0450 -25.0450 -24.1572 -24.1572 -23.9612 -23.9612 -23.8363 -23.8363 -23.5973 -23.5973 -23.2594 -23.2594 -22.2377 -22.2377 -5.9353 -5.9353 -5.4549 -5.4549 -5.2282 -5.2282 -5.1759 -5.1759 -5.1704 -5.1704 -4.9026 -4.9026 -4.6456 -4.6456 -4.4833 -4.4833 -4.4813 -4.4813 -4.4667 -4.4667 -0.7088 -0.7088 0.5741 0.5741 0.8892 0.8892 2.0358 2.0358 2.1726 2.1726 2.2914 2.2914 3.3626 3.3626 3.4319 3.4319 3.5643 3.5643 3.7451 3.7451 3.8834 3.8834 4.0048 4.0048 4.3123 4.3123 4.7355 4.7355 k = 0.0000 0.4064 0.3372 ( 9648 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9361 -5.9361 -5.4550 -5.4550 -5.2286 -5.2286 -5.1759 -5.1759 -5.1705 -5.1705 -4.9027 -4.9027 -4.6456 -4.6456 -4.4833 -4.4833 -4.4813 -4.4813 -4.4667 -4.4667 -0.7104 -0.7104 0.5736 0.5736 0.8854 0.8854 2.0339 2.0339 2.1711 2.1711 2.2898 2.2898 3.3619 3.3619 3.4318 3.4318 3.5637 3.5637 3.7447 3.7447 3.8833 3.8833 4.0057 4.0057 4.3158 4.3158 4.7358 4.7358 k = 0.0000 0.4064 0.3372 ( 9648 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9361 -5.9361 -5.4550 -5.4550 -5.2286 -5.2286 -5.1759 -5.1759 -5.1705 -5.1705 -4.9027 -4.9027 -4.6456 -4.6456 -4.4833 -4.4833 -4.4813 -4.4813 -4.4667 -4.4667 -0.7104 -0.7104 0.5736 0.5736 0.8854 0.8854 2.0339 2.0339 2.1711 2.1711 2.2898 2.2898 3.3619 3.3619 3.4318 3.4318 3.5637 3.5637 3.7447 3.7447 3.8833 3.8833 4.0057 4.0057 4.3158 4.3158 4.7358 4.7358 k = 0.0000 0.3902 0.3372 ( 9650 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9361 -5.9361 -5.4551 -5.4551 -5.2293 -5.2293 -5.1758 -5.1758 -5.1704 -5.1704 -4.9027 -4.9027 -4.6457 -4.6457 -4.4829 -4.4829 -4.4812 -4.4812 -4.4665 -4.4665 -0.7129 -0.7129 0.5790 0.5790 0.8850 0.8850 2.0340 2.0340 2.1710 2.1710 2.2887 2.2887 3.3620 3.3620 3.4316 3.4316 3.5651 3.5651 3.7431 3.7431 3.8845 3.8845 4.0063 4.0063 4.3158 4.3158 4.7382 4.7382 k = 0.0000 0.3739 0.3372 ( 9650 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9362 -5.9362 -5.4554 -5.4554 -5.2312 -5.2312 -5.1754 -5.1754 -5.1700 -5.1700 -4.9027 -4.9027 -4.6460 -4.6460 -4.4819 -4.4819 -4.4808 -4.4808 -4.4660 -4.4660 -0.7203 -0.7203 0.5949 0.5949 0.8838 0.8838 2.0342 2.0342 2.1709 2.1709 2.2855 2.2855 3.3624 3.3624 3.4310 3.4310 3.5694 3.5694 3.7387 3.7387 3.8881 3.8881 4.0080 4.0080 4.3158 4.3158 4.7454 4.7454 k = 0.0000 0.3577 0.3372 ( 9654 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9364 -5.9364 -5.4560 -5.4560 -5.2342 -5.2342 -5.1752 -5.1752 -5.1692 -5.1692 -4.9028 -4.9028 -4.6465 -4.6465 -4.4815 -4.4815 -4.4789 -4.4789 -4.4651 -4.4651 -0.7321 -0.7321 0.6210 0.6210 0.8818 0.8818 2.0347 2.0347 2.1707 2.1707 2.2802 2.2802 3.3627 3.3627 3.4299 3.4299 3.5765 3.5765 3.7317 3.7317 3.8937 3.8937 4.0109 4.0109 4.3157 4.3157 4.7574 4.7574 k = 0.0000 0.3414 0.3372 ( 9678 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9366 -5.9366 -5.4569 -5.4569 -5.2382 -5.2382 -5.1753 -5.1753 -5.1680 -5.1680 -4.9028 -4.9028 -4.6472 -4.6472 -4.4814 -4.4814 -4.4760 -4.4760 -4.4639 -4.4639 -0.7478 -0.7478 0.6566 0.6566 0.8791 0.8791 2.0353 2.0353 2.1705 2.1705 2.2732 2.2732 3.3627 3.3627 3.4285 3.4285 3.5866 3.5866 3.7223 3.7223 3.9011 3.9011 4.0149 4.0149 4.3155 4.3155 4.7741 4.7741 k = 0.0000 0.3252 0.3372 ( 9680 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9369 -5.9369 -5.4579 -5.4579 -5.2429 -5.2429 -5.1756 -5.1756 -5.1664 -5.1664 -4.9029 -4.9029 -4.6480 -4.6480 -4.4814 -4.4814 -4.4723 -4.4723 -4.4623 -4.4623 -0.7667 -0.7667 0.7009 0.7009 0.8757 0.8757 2.0362 2.0362 2.1702 2.1702 2.2646 2.2646 3.3621 3.3621 3.4265 3.4265 3.5995 3.5995 3.7111 3.7111 3.9098 3.9098 4.0200 4.0200 4.3154 4.3154 4.7955 4.7955 k = 0.0000 0.3089 0.3372 ( 9660 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9372 -5.9372 -5.4590 -5.4590 -5.2480 -5.2480 -5.1762 -5.1762 -5.1646 -5.1646 -4.9028 -4.9028 -4.6487 -4.6487 -4.4812 -4.4812 -4.4680 -4.4680 -4.4603 -4.4603 -0.7880 -0.7880 0.7531 0.7531 0.8718 0.8718 2.0371 2.0371 2.1698 2.1698 2.2547 2.2547 3.3607 3.3607 3.4242 3.4242 3.6151 3.6151 3.6981 3.6981 3.9197 3.9197 4.0262 4.0262 4.3152 4.3152 4.8216 4.8216 k = 0.0000 0.2926 0.3372 ( 9664 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9375 -5.9375 -5.4604 -5.4604 -5.2537 -5.2537 -5.1769 -5.1769 -5.1628 -5.1628 -4.9029 -4.9029 -4.6496 -4.6496 -4.4812 -4.4812 -4.4633 -4.4633 -4.4579 -4.4579 -0.8110 -0.8110 0.8120 0.8120 0.8676 0.8676 2.0382 2.0382 2.1694 2.1694 2.2439 2.2439 3.3583 3.3583 3.4214 3.4214 3.6327 3.6327 3.6839 3.6839 3.9307 3.9307 4.0334 4.0334 4.3150 4.3150 4.8524 4.8524 k = 0.0000 0.2764 0.3372 ( 9676 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9380 -5.9380 -5.4619 -5.4619 -5.2596 -5.2596 -5.1778 -5.1778 -5.1611 -5.1611 -4.9030 -4.9030 -4.6504 -4.6504 -4.4811 -4.4811 -4.4588 -4.4588 -4.4549 -4.4549 -0.8351 -0.8351 0.8587 0.8587 0.8816 0.8816 2.0395 2.0395 2.1689 2.1689 2.2323 2.2323 3.3551 3.3551 3.4180 3.4180 3.6501 3.6501 3.6704 3.6704 3.9426 3.9426 4.0415 4.0415 4.3147 4.3147 4.8877 4.8877 k = 0.0000 0.2601 0.3372 ( 9664 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9384 -5.9384 -5.4635 -5.4635 -5.2657 -5.2657 -5.1787 -5.1787 -5.1594 -5.1594 -4.9030 -4.9030 -4.6510 -4.6510 -4.4811 -4.4811 -4.4550 -4.4550 -4.4504 -4.4504 -0.8597 -0.8597 0.8552 0.8552 0.9508 0.9508 2.0408 2.0408 2.1684 2.1684 2.2204 2.2204 3.3510 3.3510 3.4141 3.4141 3.6466 3.6466 3.6781 3.6781 3.9554 3.9554 4.0505 4.0505 4.3145 4.3145 4.9274 4.9274 k = 0.0000 0.2439 0.3372 ( 9656 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9389 -5.9389 -5.4652 -5.4652 -5.2718 -5.2718 -5.1797 -5.1797 -5.1578 -5.1578 -4.9031 -4.9031 -4.6516 -4.6516 -4.4810 -4.4810 -4.4520 -4.4520 -4.4450 -4.4450 -0.8843 -0.8843 0.8495 0.8495 1.0270 1.0270 2.0422 2.0422 2.1679 2.1679 2.2084 2.2084 3.3463 3.3463 3.4094 3.4094 3.6289 3.6289 3.6994 3.6994 3.9691 3.9691 4.0603 4.0603 4.3143 4.3143 4.9713 4.9713 k = 0.0000 0.2276 0.3372 ( 9644 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9394 -5.9394 -5.4670 -5.4670 -5.2779 -5.2779 -5.1808 -5.1808 -5.1563 -5.1563 -4.9031 -4.9031 -4.6521 -4.6521 -4.4809 -4.4809 -4.4490 -4.4490 -4.4392 -4.4392 -0.9086 -0.9086 0.8434 0.8434 1.1077 1.1077 2.0437 2.0437 2.1673 2.1673 2.1964 2.1964 3.3410 3.3410 3.4039 3.4039 3.6091 3.6091 3.7222 3.7222 3.9837 3.9837 4.0709 4.0709 4.3140 4.3140 5.0191 5.0191 k = 0.0000 0.2113 0.3372 ( 9644 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9399 -5.9399 -5.4688 -5.4688 -5.2840 -5.2840 -5.1818 -5.1818 -5.1550 -5.1550 -4.9032 -4.9032 -4.6525 -4.6525 -4.4809 -4.4809 -4.4462 -4.4462 -4.4333 -4.4333 -0.9320 -0.9320 0.8372 0.8372 1.1921 1.1921 2.0452 2.0452 2.1668 2.1668 2.1847 2.1847 3.3352 3.3352 3.3971 3.3971 3.5881 3.5881 3.7451 3.7451 3.9992 3.9992 4.0821 4.0821 4.3138 4.3138 5.0702 5.0702 k = 0.0000 0.1951 0.3372 ( 9640 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9404 -5.9404 -5.4707 -5.4707 -5.2899 -5.2899 -5.1829 -5.1829 -5.1538 -5.1538 -4.9033 -4.9033 -4.6527 -4.6527 -4.4808 -4.4808 -4.4434 -4.4434 -4.4275 -4.4275 -0.9545 -0.9545 0.8308 0.8308 1.2797 1.2797 2.0468 2.0468 2.1662 2.1662 2.1734 2.1734 3.3293 3.3293 3.3886 3.3886 3.5664 3.5664 3.7677 3.7677 4.0158 4.0158 4.0938 4.0938 4.3136 4.3136 5.1237 5.1237 k = 0.0000 0.1788 0.3372 ( 9634 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9409 -5.9409 -5.4725 -5.4725 -5.2956 -5.2956 -5.1840 -5.1840 -5.1528 -5.1528 -4.9034 -4.9034 -4.6529 -4.6529 -4.4808 -4.4808 -4.4407 -4.4407 -4.4219 -4.4219 -0.9758 -0.9758 0.8245 0.8245 1.3699 1.3699 2.0483 2.0483 2.1628 2.1628 2.1656 2.1656 3.3231 3.3231 3.3777 3.3777 3.5445 3.5445 3.7896 3.7896 4.0335 4.0335 4.1059 4.1059 4.3135 4.3135 5.1764 5.1764 k = 0.0000 0.1626 0.3372 ( 9630 PWs) bands (ev): -46.6175 -46.6175 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9414 -5.9414 -5.4744 -5.4744 -5.3010 -5.3010 -5.1850 -5.1850 -5.1518 -5.1518 -4.9036 -4.9036 -4.6530 -4.6530 -4.4807 -4.4807 -4.4380 -4.4380 -4.4165 -4.4165 -0.9956 -0.9956 0.8184 0.8184 1.4619 1.4619 2.0498 2.0498 2.1528 2.1528 2.1651 2.1651 3.3168 3.3168 3.3635 3.3635 3.5234 3.5234 3.8104 3.8104 4.0523 4.0523 4.1184 4.1184 4.3134 4.3134 5.2168 5.2168 k = 0.0000 0.1463 0.3372 ( 9650 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9419 -5.9419 -5.4762 -5.4762 -5.3060 -5.3060 -5.1861 -5.1861 -5.1511 -5.1511 -4.9038 -4.9038 -4.6530 -4.6530 -4.4807 -4.4807 -4.4356 -4.4356 -4.4116 -4.4116 -1.0139 -1.0139 0.8125 0.8125 1.5549 1.5549 2.0512 2.0512 2.1436 2.1436 2.1646 2.1646 3.3101 3.3101 3.3451 3.3451 3.5042 3.5042 3.8298 3.8298 4.0721 4.0721 4.1312 4.1312 4.3133 4.3133 5.2315 5.2315 k = 0.0000 0.1301 0.3372 ( 9656 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9424 -5.9424 -5.4778 -5.4778 -5.3107 -5.3107 -5.1870 -5.1870 -5.1504 -5.1504 -4.9039 -4.9039 -4.6529 -4.6529 -4.4807 -4.4807 -4.4333 -4.4333 -4.4069 -4.4069 -1.0305 -1.0305 0.8070 0.8070 1.6481 1.6481 2.0525 2.0525 2.1352 2.1352 2.1641 2.1641 3.3011 3.3011 3.3237 3.3237 3.4879 3.4879 3.8478 3.8478 4.0929 4.0929 4.1445 4.1445 4.3134 4.3134 5.1798 5.1798 k = 0.0000 0.1138 0.3372 ( 9662 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9429 -5.9429 -5.4794 -5.4794 -5.3149 -5.3149 -5.1879 -5.1879 -5.1498 -5.1498 -4.9041 -4.9041 -4.6528 -4.6528 -4.4806 -4.4806 -4.4311 -4.4311 -4.4026 -4.4026 -1.0454 -1.0454 0.8019 0.8019 1.7404 1.7404 2.0538 2.0538 2.1277 2.1277 2.1637 2.1637 3.2806 3.2806 3.3083 3.3083 3.4747 3.4747 3.8639 3.8639 4.1139 4.1139 4.1591 4.1591 4.3135 4.3135 5.0561 5.0561 k = 0.0000 0.0975 0.3372 ( 9672 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9433 -5.9433 -5.4808 -5.4808 -5.3186 -5.3186 -5.1887 -5.1887 -5.1494 -5.1494 -4.9043 -4.9043 -4.6527 -4.6527 -4.4806 -4.4806 -4.4293 -4.4293 -4.3989 -4.3989 -1.0584 -1.0584 0.7973 0.7973 1.8302 1.8302 2.0549 2.0549 2.1212 2.1212 2.1633 2.1633 3.2472 3.2472 3.3011 3.3011 3.4647 3.4647 3.8782 3.8782 4.1335 4.1335 4.1766 4.1766 4.3137 4.3137 4.9412 4.9412 k = 0.0000 0.0813 0.3372 ( 9676 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9437 -5.9437 -5.4820 -5.4820 -5.3218 -5.3218 -5.1894 -5.1894 -5.1489 -5.1489 -4.9044 -4.9044 -4.6525 -4.6525 -4.4806 -4.4806 -4.4276 -4.4276 -4.3956 -4.3956 -1.0694 -1.0694 0.7932 0.7932 1.9158 1.9158 2.0559 2.0559 2.1156 2.1156 2.1629 2.1629 3.2083 3.2083 3.2964 3.2964 3.4572 3.4572 3.8905 3.8905 4.1495 4.1495 4.1993 4.1993 4.3140 4.3140 4.8355 4.8355 k = 0.0000 0.0650 0.3372 ( 9672 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9440 -5.9440 -5.4831 -5.4831 -5.3244 -5.3244 -5.1899 -5.1899 -5.1486 -5.1486 -4.9045 -4.9045 -4.6524 -4.6524 -4.4806 -4.4806 -4.4262 -4.4262 -4.3929 -4.3929 -1.0786 -1.0786 0.7899 0.7899 1.9945 1.9945 2.0567 2.0567 2.1111 2.1111 2.1626 2.1626 3.1676 3.1676 3.2927 3.2927 3.4517 3.4517 3.9007 3.9007 4.1613 4.1613 4.2279 4.2279 4.3144 4.3144 4.7398 4.7398 k = 0.0000 0.0488 0.3372 ( 9668 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9442 -5.9442 -5.4839 -5.4839 -5.3265 -5.3265 -5.1904 -5.1904 -5.1484 -5.1484 -4.9046 -4.9046 -4.6522 -4.6522 -4.4806 -4.4806 -4.4251 -4.4251 -4.3908 -4.3908 -1.0857 -1.0857 0.7872 0.7872 2.0573 2.0573 2.0630 2.0630 2.1077 2.1077 2.1624 2.1624 3.1287 3.1287 3.2900 3.2900 3.4478 3.4478 3.9086 3.9086 4.1697 4.1697 4.2610 4.2610 4.3149 4.3149 4.6546 4.6546 k = 0.0000 0.0325 0.3372 ( 9678 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9444 -5.9444 -5.4845 -5.4845 -5.3280 -5.3280 -5.1907 -5.1907 -5.1482 -5.1482 -4.9046 -4.9046 -4.6521 -4.6521 -4.4806 -4.4806 -4.4243 -4.4243 -4.3892 -4.3892 -1.0908 -1.0908 0.7853 0.7853 2.0578 2.0578 2.1039 2.1039 2.1186 2.1186 2.1622 2.1622 3.0956 3.0956 3.2880 3.2880 3.4452 3.4452 3.9144 3.9144 4.1754 4.1754 4.2961 4.2961 4.3164 4.3164 4.5813 4.5813 k = 0.0000 0.0163 0.3372 ( 9680 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9445 -5.9445 -5.4848 -5.4848 -5.3289 -5.3289 -5.1909 -5.1909 -5.1481 -5.1481 -4.9047 -4.9047 -4.6520 -4.6520 -4.4806 -4.4806 -4.4238 -4.4238 -4.3883 -4.3883 -1.0939 -1.0939 0.7841 0.7841 2.0581 2.0581 2.1031 2.1031 2.1534 2.1534 2.1621 2.1621 3.0730 3.0730 3.2868 3.2868 3.4437 3.4437 3.9179 3.9179 4.1787 4.1787 4.3127 4.3127 4.3343 4.3343 4.5247 4.5247 k = 0.0000 0.0000 0.3372 ( 9696 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6427 -45.6427 -25.8430 -25.8430 -25.4634 -25.4634 -25.0450 -25.0450 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9446 -5.9446 -5.4850 -5.4850 -5.3292 -5.3292 -5.1910 -5.1910 -5.1481 -5.1481 -4.9047 -4.9047 -4.6521 -4.6521 -4.4806 -4.4806 -4.4237 -4.4237 -4.3881 -4.3881 -1.0949 -1.0949 0.7837 0.7837 2.0582 2.0582 2.1026 2.1026 2.1621 2.1621 2.1656 2.1656 3.0649 3.0649 3.2864 3.2864 3.4432 3.4432 3.9190 3.9190 4.1798 4.1798 4.3136 4.3136 4.3506 4.3506 4.5003 4.5003 k = 0.0000 0.4064-0.0000 ( 9626 PWs) bands (ev): -46.6175 -46.6175 -45.9935 -45.9935 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2588 -23.2588 -22.2361 -22.2361 -5.9362 -5.9362 -5.4557 -5.4557 -5.2288 -5.2288 -5.1758 -5.1758 -5.1704 -5.1704 -4.9036 -4.9036 -4.6469 -4.6469 -4.4833 -4.4833 -4.4813 -4.4813 -4.4665 -4.4665 -0.8657 -0.8657 0.5657 0.5657 1.0958 1.0958 2.0294 2.0294 2.1525 2.1525 2.5396 2.5396 3.1021 3.1021 3.4836 3.4836 3.4848 3.4848 3.8731 3.8731 4.0181 4.0181 4.4793 4.4793 4.5685 4.5685 4.5865 4.5865 k = 0.0000 0.4064 0.0169 ( 9626 PWs) bands (ev): -46.6175 -46.6175 -45.9935 -45.9935 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2589 -23.2589 -22.2361 -22.2361 -5.9362 -5.9362 -5.4557 -5.4557 -5.2289 -5.2289 -5.1758 -5.1758 -5.1704 -5.1704 -4.9036 -4.9036 -4.6468 -4.6468 -4.4833 -4.4833 -4.4813 -4.4813 -4.4665 -4.4665 -0.8649 -0.8649 0.5658 0.5658 1.0948 1.0948 2.0294 2.0294 2.1526 2.1526 2.5382 2.5382 3.1030 3.1030 3.4737 3.4737 3.4920 3.4920 3.8742 3.8742 4.0181 4.0181 4.4679 4.4679 4.5731 4.5731 4.5872 4.5872 k = 0.0000 0.4064 0.0337 ( 9634 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5970 -23.5970 -23.2589 -23.2589 -22.2361 -22.2361 -5.9362 -5.9362 -5.4557 -5.4557 -5.2288 -5.2288 -5.1759 -5.1759 -5.1704 -5.1704 -4.9036 -4.9036 -4.6469 -4.6469 -4.4833 -4.4833 -4.4813 -4.4813 -4.4665 -4.4665 -0.8624 -0.8624 0.5659 0.5659 1.0916 1.0916 2.0295 2.0295 2.1529 2.1529 2.5340 2.5340 3.1059 3.1059 3.4606 3.4606 3.4980 3.4980 3.8771 3.8771 4.0180 4.0180 4.4406 4.4406 4.5722 4.5722 4.5975 4.5975 k = 0.0000 0.4064 0.0506 ( 9634 PWs) bands (ev): -46.6176 -46.6176 -45.9935 -45.9935 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5971 -23.5971 -23.2589 -23.2589 -22.2361 -22.2361 -5.9362 -5.9362 -5.4557 -5.4557 -5.2288 -5.2288 -5.1759 -5.1759 -5.1704 -5.1704 -4.9036 -4.9036 -4.6468 -4.6468 -4.4833 -4.4833 -4.4813 -4.4813 -4.4665 -4.4665 -0.8583 -0.8583 0.5661 0.5661 1.0864 1.0864 2.0296 2.0296 2.1534 2.1534 2.5270 2.5270 3.1106 3.1106 3.4453 3.4453 3.5028 3.5028 3.8812 3.8812 4.0178 4.0178 4.4049 4.4049 4.5628 4.5628 4.6138 4.6138 k = 0.0000 0.4064 0.0674 ( 9652 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9617 -23.9617 -23.8365 -23.8365 -23.5971 -23.5971 -23.2589 -23.2589 -22.2361 -22.2361 -5.9362 -5.9362 -5.4557 -5.4557 -5.2289 -5.2289 -5.1759 -5.1759 -5.1705 -5.1705 -4.9036 -4.9036 -4.6468 -4.6468 -4.4833 -4.4833 -4.4813 -4.4813 -4.4666 -4.4666 -0.8526 -0.8526 0.5665 0.5665 1.0792 1.0792 2.0298 2.0298 2.1542 2.1542 2.5172 2.5172 3.1172 3.1172 3.4290 3.4290 3.5071 3.5071 3.8856 3.8856 4.0175 4.0175 4.3642 4.3642 4.5491 4.5491 4.6297 4.6297 k = 0.0000 0.4064 0.0843 ( 9652 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9616 -23.9616 -23.8365 -23.8365 -23.5971 -23.5971 -23.2589 -23.2589 -22.2361 -22.2361 -5.9362 -5.9362 -5.4557 -5.4557 -5.2289 -5.2289 -5.1759 -5.1759 -5.1705 -5.1705 -4.9036 -4.9036 -4.6468 -4.6468 -4.4833 -4.4833 -4.4813 -4.4813 -4.4666 -4.4666 -0.8455 -0.8455 0.5669 0.5669 1.0701 1.0701 2.0300 2.0300 2.1551 2.1551 2.5048 2.5048 3.1256 3.1256 3.4133 3.4133 3.5112 3.5112 3.8897 3.8897 4.0171 4.0171 4.3201 4.3201 4.5325 4.5325 4.6441 4.6441 k = 0.0000 0.4064 0.1011 ( 9668 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9616 -23.9616 -23.8365 -23.8365 -23.5971 -23.5971 -23.2589 -23.2589 -22.2361 -22.2361 -5.9362 -5.9362 -5.4557 -5.4557 -5.2289 -5.2289 -5.1759 -5.1759 -5.1705 -5.1705 -4.9036 -4.9036 -4.6467 -4.6467 -4.4834 -4.4834 -4.4814 -4.4814 -4.4666 -4.4666 -0.8370 -0.8370 0.5674 0.5674 1.0591 1.0591 2.0303 2.0303 2.1562 2.1562 2.4898 2.4898 3.1358 3.1358 3.3993 3.3993 3.5155 3.5155 3.8930 3.8930 4.0166 4.0166 4.2734 4.2734 4.5138 4.5138 4.6569 4.6569 k = 0.0000 0.4064 0.1180 ( 9678 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6427 -45.6427 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9615 -23.9615 -23.8365 -23.8365 -23.5972 -23.5972 -23.2589 -23.2589 -22.2361 -22.2361 -5.9362 -5.9362 -5.4556 -5.4556 -5.2289 -5.2289 -5.1760 -5.1760 -5.1705 -5.1705 -4.9035 -4.9035 -4.6466 -4.6466 -4.4834 -4.4834 -4.4814 -4.4814 -4.4667 -4.4667 -0.8274 -0.8274 0.5679 0.5679 1.0465 1.0465 2.0306 2.0306 2.1574 2.1574 2.4728 2.4728 3.1479 3.1479 3.3881 3.3881 3.5200 3.5200 3.8953 3.8953 4.0159 4.0159 4.2251 4.2251 4.4936 4.4936 4.6681 4.6681 k = 0.0000 0.4064 0.1349 ( 9686 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6427 -45.6427 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1573 -24.1573 -23.9615 -23.9615 -23.8366 -23.8366 -23.5972 -23.5972 -23.2590 -23.2590 -22.2361 -22.2361 -5.9363 -5.9363 -5.4556 -5.4556 -5.2289 -5.2289 -5.1760 -5.1760 -5.1705 -5.1705 -4.9035 -4.9035 -4.6466 -4.6466 -4.4834 -4.4834 -4.4814 -4.4814 -4.4667 -4.4667 -0.8168 -0.8168 0.5685 0.5685 1.0325 1.0325 2.0309 2.0309 2.1587 2.1587 2.4540 2.4540 3.1616 3.1616 3.3804 3.3804 3.5248 3.5248 3.8965 3.8965 4.0151 4.0151 4.1759 4.1759 4.4728 4.4728 4.6781 4.6781 k = 0.0000 0.4064 0.1517 ( 9680 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6427 -45.6427 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9615 -23.9615 -23.8366 -23.8366 -23.5972 -23.5972 -23.2590 -23.2590 -22.2361 -22.2361 -5.9362 -5.9362 -5.4555 -5.4555 -5.2288 -5.2288 -5.1760 -5.1760 -5.1705 -5.1705 -4.9034 -4.9034 -4.6465 -4.6465 -4.4834 -4.4834 -4.4814 -4.4814 -4.4667 -4.4667 -0.8054 -0.8054 0.5691 0.5691 1.0172 1.0172 2.0313 2.0313 2.1602 2.1602 2.4342 2.4342 3.1770 3.1770 3.3762 3.3762 3.5297 3.5297 3.8968 3.8968 4.0142 4.0142 4.1262 4.1262 4.4518 4.4518 4.6870 4.6870 k = 0.0000 0.4064 0.1686 ( 9682 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8431 -25.8431 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9614 -23.9614 -23.8366 -23.8366 -23.5973 -23.5973 -23.2590 -23.2590 -22.2361 -22.2361 -5.9362 -5.9362 -5.4555 -5.4555 -5.2288 -5.2288 -5.1760 -5.1760 -5.1705 -5.1705 -4.9033 -4.9033 -4.6463 -4.6463 -4.4834 -4.4834 -4.4814 -4.4814 -4.4667 -4.4667 -0.7935 -0.7935 0.5697 0.5697 1.0011 1.0011 2.0316 2.0316 2.1616 2.1616 2.4138 2.4138 3.1939 3.1939 3.3755 3.3755 3.5348 3.5348 3.8963 3.8963 4.0131 4.0131 4.0768 4.0768 4.4312 4.4312 4.6950 4.6950 k = 0.0000 0.4064 0.1854 ( 9676 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9614 -23.9614 -23.8366 -23.8366 -23.5973 -23.5973 -23.2590 -23.2590 -22.2361 -22.2361 -5.9362 -5.9362 -5.4554 -5.4554 -5.2288 -5.2288 -5.1760 -5.1760 -5.1705 -5.1705 -4.9032 -4.9032 -4.6462 -4.6462 -4.4834 -4.4834 -4.4814 -4.4814 -4.4667 -4.4667 -0.7813 -0.7813 0.5703 0.5703 0.9845 0.9845 2.0320 2.0320 2.1631 2.1631 2.3935 2.3935 3.2122 3.2122 3.3779 3.3779 3.5398 3.5398 3.8951 3.8951 4.0119 4.0119 4.0284 4.0284 4.4114 4.4114 4.7023 4.7023 k = 0.0000 0.4064 0.2023 ( 9664 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9613 -23.9613 -23.8366 -23.8366 -23.5974 -23.5974 -23.2591 -23.2591 -22.2361 -22.2361 -5.9362 -5.9362 -5.4553 -5.4553 -5.2288 -5.2288 -5.1759 -5.1759 -5.1705 -5.1705 -4.9031 -4.9031 -4.6461 -4.6461 -4.4834 -4.4834 -4.4813 -4.4813 -4.4667 -4.4667 -0.7692 -0.7692 0.5709 0.5709 0.9677 0.9677 2.0323 2.0323 2.1645 2.1645 2.3740 2.3740 3.2317 3.2317 3.3828 3.3828 3.5448 3.5448 3.8935 3.8935 3.9807 3.9807 4.0111 4.0111 4.3928 4.3928 4.7088 4.7088 k = 0.0000 0.4064 0.2191 ( 9660 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9613 -23.9613 -23.8367 -23.8367 -23.5974 -23.5974 -23.2591 -23.2591 -22.2361 -22.2361 -5.9362 -5.9362 -5.4552 -5.4552 -5.2287 -5.2287 -5.1759 -5.1759 -5.1705 -5.1705 -4.9030 -4.9030 -4.6460 -4.6460 -4.4834 -4.4834 -4.4813 -4.4813 -4.4667 -4.4667 -0.7574 -0.7574 0.5715 0.5715 0.9514 0.9514 2.0326 2.0326 2.1659 2.1659 2.3557 2.3557 3.2522 3.2522 3.3897 3.3897 3.5495 3.5495 3.8916 3.8916 3.9353 3.9353 4.0100 4.0100 4.3757 4.3757 4.7148 4.7148 k = 0.0000 0.4064 0.2360 ( 9674 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9612 -23.9612 -23.8367 -23.8367 -23.5974 -23.5974 -23.2591 -23.2591 -22.2361 -22.2361 -5.9362 -5.9362 -5.4552 -5.4552 -5.2287 -5.2287 -5.1760 -5.1760 -5.1705 -5.1705 -4.9030 -4.9030 -4.6459 -4.6459 -4.4834 -4.4834 -4.4814 -4.4814 -4.4667 -4.4667 -0.7463 -0.7463 0.5720 0.5720 0.9359 0.9359 2.0329 2.0329 2.1671 2.1671 2.3390 2.3390 3.2733 3.2733 3.3977 3.3977 3.5537 3.5537 3.8887 3.8887 3.8934 3.8934 4.0089 4.0089 4.3604 4.3604 4.7200 4.7200 k = 0.0000 0.4064 0.2529 ( 9666 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9612 -23.9612 -23.8367 -23.8367 -23.5975 -23.5975 -23.2591 -23.2591 -22.2361 -22.2361 -5.9361 -5.9361 -5.4551 -5.4551 -5.2287 -5.2287 -5.1759 -5.1759 -5.1705 -5.1705 -4.9029 -4.9029 -4.6458 -4.6458 -4.4834 -4.4834 -4.4814 -4.4814 -4.4667 -4.4667 -0.7361 -0.7361 0.5725 0.5725 0.9217 0.9217 2.0332 2.0332 2.1683 2.1683 2.3244 2.3244 3.2943 3.2943 3.4062 3.4062 3.5574 3.5574 3.8526 3.8526 3.8881 3.8881 4.0080 4.0080 4.3471 4.3471 4.7247 4.7247 k = 0.0000 0.4064 0.2697 ( 9650 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9612 -23.9612 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9361 -5.9361 -5.4551 -5.4551 -5.2287 -5.2287 -5.1759 -5.1759 -5.1705 -5.1705 -4.9028 -4.9028 -4.6457 -4.6457 -4.4833 -4.4833 -4.4813 -4.4813 -4.4667 -4.4667 -0.7273 -0.7273 0.5729 0.5729 0.9093 0.9093 2.0334 2.0334 2.1692 2.1692 2.3122 2.3122 3.3146 3.3146 3.4143 3.4143 3.5602 3.5602 3.8172 3.8172 3.8864 3.8864 4.0072 4.0072 4.3360 4.3360 4.7286 4.7286 k = 0.0000 0.4064 0.2866 ( 9644 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9361 -5.9361 -5.4550 -5.4550 -5.2286 -5.2286 -5.1759 -5.1759 -5.1705 -5.1705 -4.9028 -4.9028 -4.6457 -4.6457 -4.4833 -4.4833 -4.4813 -4.4813 -4.4667 -4.4667 -0.7201 -0.7201 0.5732 0.5732 0.8991 0.8991 2.0336 2.0336 2.1700 2.1700 2.3025 2.3025 3.3331 3.3331 3.4215 3.4215 3.5622 3.5622 3.7873 3.7873 3.8851 3.8851 4.0066 4.0066 4.3273 4.3273 4.7317 4.7317 k = 0.0000 0.4064 0.3034 ( 9652 PWs) bands (ev): -46.6176 -46.6176 -45.9937 -45.9937 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9361 -5.9361 -5.4550 -5.4550 -5.2286 -5.2286 -5.1759 -5.1759 -5.1705 -5.1705 -4.9028 -4.9028 -4.6456 -4.6456 -4.4833 -4.4833 -4.4813 -4.4813 -4.4667 -4.4667 -0.7148 -0.7148 0.5734 0.5734 0.8916 0.8916 2.0337 2.0337 2.1706 2.1706 2.2955 2.2955 3.3482 3.3482 3.4271 3.4271 3.5633 3.5633 3.7643 3.7643 3.8841 3.8841 4.0061 4.0061 4.3209 4.3209 4.7340 4.7340 k = 0.0000 0.4064 0.3203 ( 9638 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9361 -5.9361 -5.4550 -5.4550 -5.2286 -5.2286 -5.1759 -5.1759 -5.1704 -5.1704 -4.9027 -4.9027 -4.6456 -4.6456 -4.4833 -4.4833 -4.4813 -4.4813 -4.4667 -4.4667 -0.7115 -0.7115 0.5736 0.5736 0.8870 0.8870 2.0338 2.0338 2.1710 2.1710 2.2912 2.2912 3.3583 3.3583 3.4306 3.4306 3.5637 3.5637 3.7497 3.7497 3.8835 3.8835 4.0058 4.0058 4.3171 4.3171 4.7354 4.7354 k = 0.0000 0.4064 0.3372 ( 9648 PWs) bands (ev): -46.6176 -46.6176 -45.9936 -45.9936 -45.6426 -45.6426 -25.8430 -25.8430 -25.4634 -25.4634 -25.0451 -25.0451 -24.1572 -24.1572 -23.9611 -23.9611 -23.8367 -23.8367 -23.5975 -23.5975 -23.2592 -23.2592 -22.2361 -22.2361 -5.9361 -5.9361 -5.4550 -5.4550 -5.2286 -5.2286 -5.1759 -5.1759 -5.1705 -5.1705 -4.9027 -4.9027 -4.6456 -4.6456 -4.4833 -4.4833 -4.4813 -4.4813 -4.4667 -4.4667 -0.7104 -0.7104 0.5736 0.5736 0.8854 0.8854 2.0339 2.0339 2.1711 2.1711 2.2898 2.2898 3.3619 3.3619 3.4318 3.4318 3.5637 3.5637 3.7447 3.7447 3.8833 3.8833 4.0057 4.0057 4.3158 4.3158 4.7358 4.7358 k = 0.5000-0.0000 0.3372 ( 9732 PWs) bands (ev): -46.6166 -46.6166 -45.8453 -45.8453 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6964 -5.6964 -5.4529 -5.4529 -5.2847 -5.2847 -5.1828 -5.1828 -4.9718 -4.9718 -4.8607 -4.8607 -4.6509 -4.6509 -4.4766 -4.4766 -4.4213 -4.4213 -4.3783 -4.3783 -0.1991 -0.1991 1.6664 1.6664 2.0941 2.0941 2.4808 2.4808 2.8684 2.8684 3.1105 3.1105 3.1706 3.1706 3.4120 3.4120 3.5364 3.5364 3.7085 3.7085 3.8103 3.8103 4.1949 4.1949 4.2464 4.2464 4.2595 4.2595 k = 0.5000-0.0000 0.3203 ( 9736 PWs) bands (ev): -46.6166 -46.6166 -45.8453 -45.8453 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6964 -5.6964 -5.4529 -5.4529 -5.2847 -5.2847 -5.1828 -5.1828 -4.9718 -4.9718 -4.8607 -4.8607 -4.6510 -4.6510 -4.4766 -4.4766 -4.4214 -4.4214 -4.3783 -4.3783 -0.1996 -0.1996 1.6649 1.6649 2.0960 2.0960 2.4808 2.4808 2.8675 2.8675 3.1134 3.1134 3.1700 3.1700 3.4116 3.4116 3.5367 3.5367 3.7088 3.7088 3.8084 3.8084 4.1947 4.1947 4.2412 4.2412 4.2532 4.2532 k = 0.5000-0.0000 0.3034 ( 9726 PWs) bands (ev): -46.6166 -46.6166 -45.8453 -45.8453 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6963 -5.6963 -5.4529 -5.4529 -5.2847 -5.2847 -5.1828 -5.1828 -4.9718 -4.9718 -4.8607 -4.8607 -4.6509 -4.6509 -4.4766 -4.4766 -4.4213 -4.4213 -4.3783 -4.3783 -0.2012 -0.2012 1.6605 1.6605 2.1018 2.1018 2.4810 2.4810 2.8649 2.8649 3.1220 3.1220 3.1682 3.1682 3.4105 3.4105 3.5377 3.5377 3.7097 3.7097 3.8029 3.8029 4.1895 4.1895 4.2238 4.2238 4.2494 4.2494 k = 0.5000-0.0000 0.2866 ( 9710 PWs) bands (ev): -46.6166 -46.6166 -45.8453 -45.8453 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6963 -5.6963 -5.4529 -5.4529 -5.2846 -5.2846 -5.1828 -5.1828 -4.9718 -4.9718 -4.8607 -4.8607 -4.6509 -4.6509 -4.4766 -4.4766 -4.4213 -4.4213 -4.3782 -4.3782 -0.2037 -0.2037 1.6533 1.6533 2.1113 2.1113 2.4811 2.4811 2.8610 2.8610 3.1355 3.1355 3.1653 3.1653 3.4086 3.4086 3.5395 3.5395 3.7111 3.7111 3.7944 3.7944 4.1689 4.1689 4.2091 4.2091 4.2534 4.2534 k = 0.5000-0.0000 0.2697 ( 9702 PWs) bands (ev): -46.6166 -46.6166 -45.8452 -45.8452 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4059 -23.4059 -23.2506 -23.2506 -23.2185 -23.2185 -5.6963 -5.6963 -5.4529 -5.4529 -5.2846 -5.2846 -5.1827 -5.1827 -4.9717 -4.9717 -4.8607 -4.8607 -4.6509 -4.6509 -4.4765 -4.4765 -4.4213 -4.4213 -4.3782 -4.3782 -0.2071 -0.2071 1.6435 1.6435 2.1244 2.1244 2.4814 2.4814 2.8564 2.8564 3.1528 3.1528 3.1616 3.1616 3.4062 3.4062 3.5419 3.5419 3.7131 3.7131 3.7834 3.7834 4.1379 4.1379 4.1956 4.1956 4.2657 4.2657 k = 0.5000-0.0000 0.2529 ( 9686 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9757 -23.9757 -23.4920 -23.4920 -23.4059 -23.4059 -23.2506 -23.2506 -23.2185 -23.2185 -5.6963 -5.6963 -5.4529 -5.4529 -5.2846 -5.2846 -5.1827 -5.1827 -4.9717 -4.9717 -4.8607 -4.8607 -4.6509 -4.6509 -4.4765 -4.4765 -4.4212 -4.4212 -4.3782 -4.3782 -0.2113 -0.2113 1.6317 1.6317 2.1407 2.1407 2.4817 2.4817 2.8515 2.8515 3.1561 3.1561 3.1741 3.1741 3.4032 3.4032 3.5450 3.5450 3.7154 3.7154 3.7708 3.7708 4.1043 4.1043 4.1797 4.1797 4.2842 4.2842 k = 0.5000-0.0000 0.2360 ( 9690 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9757 -23.9757 -23.4920 -23.4920 -23.4059 -23.4059 -23.2506 -23.2506 -23.2185 -23.2185 -5.6963 -5.6963 -5.4530 -5.4530 -5.2846 -5.2846 -5.1827 -5.1827 -4.9717 -4.9717 -4.8607 -4.8607 -4.6510 -4.6510 -4.4765 -4.4765 -4.4212 -4.4212 -4.3783 -4.3783 -0.2162 -0.2162 1.6180 1.6180 2.1601 2.1601 2.4820 2.4820 2.8467 2.8467 3.1504 3.1504 3.1969 3.1969 3.4000 3.4000 3.5489 3.5489 3.7176 3.7176 3.7576 3.7576 4.0704 4.0704 4.1622 4.1622 4.3066 4.3066 k = 0.5000-0.0000 0.2191 ( 9692 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9757 -23.9757 -23.4920 -23.4920 -23.4059 -23.4059 -23.2506 -23.2506 -23.2184 -23.2184 -5.6963 -5.6963 -5.4530 -5.4530 -5.2846 -5.2846 -5.1827 -5.1827 -4.9718 -4.9718 -4.8607 -4.8607 -4.6510 -4.6510 -4.4765 -4.4765 -4.4213 -4.4213 -4.3784 -4.3784 -0.2216 -0.2216 1.6031 1.6031 2.1821 2.1821 2.4825 2.4825 2.8421 2.8421 3.1438 3.1438 3.2212 3.2212 3.3967 3.3967 3.5535 3.5535 3.7186 3.7186 3.7454 3.7454 4.0371 4.0371 4.1439 4.1439 4.3314 4.3314 k = 0.5000-0.0000 0.2023 ( 9696 PWs) bands (ev): -46.6166 -46.6166 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9757 -23.9757 -23.4920 -23.4920 -23.4058 -23.4058 -23.2506 -23.2506 -23.2184 -23.2184 -5.6963 -5.6963 -5.4531 -5.4531 -5.2846 -5.2846 -5.1827 -5.1827 -4.9718 -4.9718 -4.8608 -4.8608 -4.6511 -4.6511 -4.4765 -4.4765 -4.4213 -4.4213 -4.3785 -4.3785 -0.2274 -0.2274 1.5873 1.5873 2.2062 2.2062 2.4830 2.4830 2.8380 2.8380 3.1367 3.1367 3.2459 3.2459 3.3936 3.3936 3.5588 3.5588 3.7148 3.7148 3.7381 3.7381 4.0046 4.0046 4.1256 4.1256 4.3575 4.3575 k = 0.5000-0.0000 0.1854 ( 9696 PWs) bands (ev): -46.6166 -46.6166 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9757 -23.9757 -23.4920 -23.4920 -23.4058 -23.4058 -23.2506 -23.2506 -23.2184 -23.2184 -5.6963 -5.6963 -5.4531 -5.4531 -5.2846 -5.2846 -5.1827 -5.1827 -4.9718 -4.9718 -4.8608 -4.8608 -4.6511 -4.6511 -4.4765 -4.4765 -4.4213 -4.4213 -4.3786 -4.3786 -0.2334 -0.2334 1.5710 1.5710 2.2320 2.2320 2.4836 2.4836 2.8343 2.8343 3.1292 3.1292 3.2700 3.2700 3.3913 3.3913 3.5648 3.5648 3.7044 3.7044 3.7379 3.7379 3.9733 3.9733 4.1077 4.1077 4.3837 4.3837 k = 0.5000-0.0000 0.1686 ( 9700 PWs) bands (ev): -46.6166 -46.6166 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9758 -23.9758 -23.4920 -23.4920 -23.4058 -23.4058 -23.2506 -23.2506 -23.2184 -23.2184 -5.6963 -5.6963 -5.4532 -5.4532 -5.2846 -5.2846 -5.1827 -5.1827 -4.9718 -4.9718 -4.8608 -4.8608 -4.6512 -4.6512 -4.4765 -4.4765 -4.4213 -4.4213 -4.3786 -4.3786 -0.2396 -0.2396 1.5547 1.5547 2.2588 2.2588 2.4843 2.4843 2.8311 2.8311 3.1213 3.1213 3.2923 3.2923 3.3905 3.3905 3.5715 3.5715 3.6916 3.6916 3.7407 3.7407 3.9432 3.9432 4.0905 4.0905 4.4072 4.4072 k = 0.5000-0.0000 0.1517 ( 9684 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9758 -23.9758 -23.4920 -23.4920 -23.4057 -23.4057 -23.2506 -23.2506 -23.2183 -23.2183 -5.6963 -5.6963 -5.4532 -5.4532 -5.2846 -5.2846 -5.1827 -5.1827 -4.9718 -4.9718 -4.8608 -4.8608 -4.6512 -4.6512 -4.4765 -4.4765 -4.4213 -4.4213 -4.3786 -4.3786 -0.2456 -0.2456 1.5388 1.5388 2.2861 2.2861 2.4851 2.4851 2.8284 2.8284 3.1134 3.1134 3.3111 3.3111 3.3925 3.3925 3.5788 3.5788 3.6786 3.6786 3.7444 3.7444 3.9145 3.9145 4.0742 4.0742 4.4187 4.4187 k = 0.5000-0.0000 0.1349 ( 9692 PWs) bands (ev): -46.6166 -46.6166 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9758 -23.9758 -23.4920 -23.4920 -23.4057 -23.4057 -23.2506 -23.2506 -23.2183 -23.2183 -5.6963 -5.6963 -5.4533 -5.4533 -5.2846 -5.2846 -5.1827 -5.1827 -4.9719 -4.9719 -4.8609 -4.8609 -4.6513 -4.6513 -4.4765 -4.4765 -4.4213 -4.4213 -4.3787 -4.3787 -0.2515 -0.2515 1.5236 1.5236 2.3132 2.3132 2.4860 2.4860 2.8261 2.8261 3.1055 3.1055 3.3246 3.3246 3.3987 3.3987 3.5865 3.5865 3.6666 3.6666 3.7484 3.7484 3.8873 3.8873 4.0591 4.0591 4.4174 4.4174 k = 0.5000-0.0000 0.1180 ( 9682 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4057 -23.4057 -23.2506 -23.2506 -23.2183 -23.2183 -5.6963 -5.6963 -5.4533 -5.4533 -5.2846 -5.2846 -5.1827 -5.1827 -4.9719 -4.9719 -4.8609 -4.8609 -4.6513 -4.6513 -4.4765 -4.4765 -4.4213 -4.4213 -4.3788 -4.3788 -0.2570 -0.2570 1.5095 1.5095 2.3393 2.3393 2.4871 2.4871 2.8242 2.8242 3.0979 3.0979 3.3322 3.3322 3.4094 3.4094 3.5941 3.5941 3.6562 3.6562 3.7521 3.7521 3.8617 3.8617 4.0453 4.0453 4.4127 4.4127 k = 0.5000-0.0000 0.1011 ( 9656 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4057 -23.4057 -23.2506 -23.2506 -23.2183 -23.2183 -5.6963 -5.6963 -5.4532 -5.4532 -5.2845 -5.2845 -5.1826 -5.1826 -4.9719 -4.9719 -4.8608 -4.8608 -4.6513 -4.6513 -4.4764 -4.4764 -4.4212 -4.4212 -4.3788 -4.3788 -0.2620 -0.2620 1.4968 1.4968 2.3637 2.3637 2.4884 2.4884 2.8227 2.8227 3.0906 3.0906 3.3353 3.3353 3.4227 3.4227 3.6008 3.6008 3.6488 3.6488 3.7552 3.7552 3.8379 3.8379 4.0329 4.0329 4.4074 4.4074 k = 0.5000-0.0000 0.0843 ( 9652 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6963 -5.6963 -5.4533 -5.4533 -5.2845 -5.2845 -5.1826 -5.1826 -4.9719 -4.9719 -4.8608 -4.8608 -4.6513 -4.6513 -4.4764 -4.4764 -4.4212 -4.4212 -4.3788 -4.3788 -0.2664 -0.2664 1.4856 1.4856 2.3855 2.3855 2.4900 2.4900 2.8214 2.8214 3.0840 3.0840 3.3360 3.3360 3.4365 3.4365 3.6048 3.6048 3.6461 3.6461 3.7573 3.7573 3.8164 3.8164 4.0222 4.0222 4.4024 4.4024 k = 0.5000-0.0000 0.0674 ( 9646 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6963 -5.6963 -5.4533 -5.4533 -5.2845 -5.2845 -5.1826 -5.1826 -4.9719 -4.9719 -4.8608 -4.8608 -4.6513 -4.6513 -4.4764 -4.4764 -4.4211 -4.4211 -4.3789 -4.3789 -0.2702 -0.2702 1.4761 1.4761 2.4040 2.4040 2.4919 2.4919 2.8205 2.8205 3.0782 3.0782 3.3356 3.3356 3.4491 3.4491 3.6048 3.6048 3.6495 3.6495 3.7570 3.7570 3.7982 3.7982 4.0131 4.0131 4.3979 4.3979 k = 0.5000-0.0000 0.0506 ( 9636 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6962 -5.6962 -5.4533 -5.4533 -5.2844 -5.2844 -5.1826 -5.1826 -4.9719 -4.9719 -4.8608 -4.8608 -4.6513 -4.6513 -4.4764 -4.4764 -4.4211 -4.4211 -4.3789 -4.3789 -0.2732 -0.2732 1.4686 1.4686 2.4185 2.4185 2.4941 2.4941 2.8198 2.8198 3.0733 3.0733 3.3348 3.3348 3.4596 3.4596 3.6025 3.6025 3.6572 3.6572 3.7523 3.7523 3.7860 3.7860 4.0058 4.0058 4.3942 4.3942 k = 0.5000-0.0000 0.0337 ( 9628 PWs) bands (ev): -46.6165 -46.6165 -45.8451 -45.8451 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6962 -5.6962 -5.4533 -5.4533 -5.2844 -5.2844 -5.1825 -5.1825 -4.9718 -4.9718 -4.8608 -4.8608 -4.6513 -4.6513 -4.4763 -4.4763 -4.4211 -4.4211 -4.3789 -4.3789 -0.2754 -0.2754 1.4632 1.4632 2.4288 2.4288 2.4963 2.4963 2.8193 2.8193 3.0697 3.0697 3.3341 3.3341 3.4673 3.4673 3.5998 3.5998 3.6668 3.6668 3.7426 3.7426 3.7805 3.7805 4.0006 4.0006 4.3914 4.3914 k = 0.5000-0.0000 0.0169 ( 9612 PWs) bands (ev): -46.6164 -46.6164 -45.8451 -45.8451 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6962 -5.6962 -5.4532 -5.4532 -5.2844 -5.2844 -5.1825 -5.1825 -4.9718 -4.9718 -4.8608 -4.8608 -4.6513 -4.6513 -4.4763 -4.4763 -4.4211 -4.4211 -4.3789 -4.3789 -0.2767 -0.2767 1.4599 1.4599 2.4348 2.4348 2.4979 2.4979 2.8190 2.8190 3.0675 3.0675 3.3336 3.3336 3.4721 3.4721 3.5979 3.5979 3.6757 3.6757 3.7323 3.7323 3.7789 3.7789 3.9974 3.9974 4.3897 4.3897 k = 0.5000-0.0000-0.0000 ( 9610 PWs) bands (ev): -46.6164 -46.6164 -45.8451 -45.8451 -45.7983 -45.7983 -25.8514 -25.8514 -25.1423 -25.1423 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6962 -5.6962 -5.4532 -5.4532 -5.2844 -5.2844 -5.1825 -5.1825 -4.9718 -4.9718 -4.8608 -4.8608 -4.6513 -4.6513 -4.4763 -4.4763 -4.4211 -4.4211 -4.3789 -4.3789 -0.2771 -0.2771 1.4588 1.4588 2.4368 2.4368 2.4986 2.4986 2.8189 2.8189 3.0667 3.0667 3.3334 3.3334 3.4737 3.4737 3.5973 3.5973 3.6797 3.6797 3.7276 3.7276 3.7785 3.7785 3.9963 3.9963 4.3891 4.3891 k = 0.5000 0.4064-0.0000 ( 9684 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6786 -5.6786 -5.4229 -5.4229 -5.1744 -5.1744 -5.1719 -5.1719 -5.0168 -5.0168 -4.8531 -4.8531 -4.6432 -4.6432 -4.4862 -4.4862 -4.4768 -4.4768 -4.4692 -4.4692 0.2864 0.2864 0.7342 0.7342 1.7129 1.7129 2.5535 2.5535 2.8669 2.8669 3.3251 3.3251 3.5318 3.5318 3.6082 3.6082 3.6424 3.6424 3.8959 3.8959 3.9597 3.9597 4.1526 4.1526 4.1956 4.1956 4.2959 4.2959 k = 0.5000 0.4064 0.0169 ( 9680 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6786 -5.6786 -5.4229 -5.4229 -5.1744 -5.1744 -5.1719 -5.1719 -5.0168 -5.0168 -4.8531 -4.8531 -4.6432 -4.6432 -4.4862 -4.4862 -4.4768 -4.4768 -4.4692 -4.4692 0.2870 0.2870 0.7343 0.7343 1.7140 1.7140 2.5518 2.5518 2.8673 2.8673 3.3251 3.3251 3.5308 3.5308 3.6073 3.6073 3.6427 3.6427 3.8961 3.8961 3.9601 3.9601 4.1526 4.1526 4.1973 4.1973 4.2961 4.2961 k = 0.5000 0.4064 0.0337 ( 9688 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6786 -5.6786 -5.4229 -5.4229 -5.1744 -5.1744 -5.1719 -5.1719 -5.0168 -5.0168 -4.8531 -4.8531 -4.6432 -4.6432 -4.4862 -4.4862 -4.4768 -4.4768 -4.4692 -4.4692 0.2888 0.2888 0.7345 0.7345 1.7174 1.7174 2.5467 2.5467 2.8685 2.8685 3.3251 3.3251 3.5279 3.5279 3.6046 3.6046 3.6441 3.6441 3.8967 3.8967 3.9614 3.9614 4.1527 4.1527 4.2023 4.2023 4.2967 4.2967 k = 0.5000 0.4064 0.0506 ( 9672 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6786 -5.6786 -5.4229 -5.4229 -5.1744 -5.1744 -5.1719 -5.1719 -5.0167 -5.0167 -4.8531 -4.8531 -4.6431 -4.6431 -4.4862 -4.4862 -4.4767 -4.4767 -4.4692 -4.4692 0.2918 0.2918 0.7348 0.7348 1.7230 1.7230 2.5385 2.5385 2.8707 2.8707 3.3250 3.3250 3.5231 3.5231 3.5998 3.5998 3.6470 3.6470 3.8977 3.8977 3.9634 3.9634 4.1529 4.1529 4.2103 4.2103 4.2978 4.2978 k = 0.5000 0.4064 0.0674 ( 9672 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7984 -45.7984 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4056 -23.4056 -23.2506 -23.2506 -23.2182 -23.2182 -5.6785 -5.6785 -5.4228 -5.4228 -5.1744 -5.1744 -5.1719 -5.1719 -5.0167 -5.0167 -4.8530 -4.8530 -4.6431 -4.6431 -4.4862 -4.4862 -4.4767 -4.4767 -4.4692 -4.4692 0.2959 0.2959 0.7352 0.7352 1.7307 1.7307 2.5271 2.5271 2.8737 2.8737 3.3249 3.3249 3.5162 3.5162 3.5929 3.5929 3.6515 3.6515 3.8991 3.8991 3.9663 3.9663 4.1531 4.1531 4.2210 4.2210 4.2994 4.2994 k = 0.5000 0.4064 0.0843 ( 9664 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4057 -23.4057 -23.2506 -23.2506 -23.2182 -23.2182 -5.6785 -5.6785 -5.4228 -5.4228 -5.1744 -5.1744 -5.1719 -5.1719 -5.0167 -5.0167 -4.8530 -4.8530 -4.6430 -4.6430 -4.4862 -4.4862 -4.4767 -4.4767 -4.4692 -4.4692 0.3011 0.3011 0.7357 0.7357 1.7403 1.7403 2.5130 2.5130 2.8777 2.8777 3.3247 3.3247 3.5074 3.5074 3.5842 3.5842 3.6577 3.6577 3.9007 3.9007 3.9700 3.9700 4.1534 4.1534 4.2339 4.2339 4.3016 4.3016 k = 0.5000 0.4064 0.1011 ( 9652 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9759 -23.9759 -23.4920 -23.4920 -23.4057 -23.4057 -23.2506 -23.2506 -23.2182 -23.2182 -5.6785 -5.6785 -5.4227 -5.4227 -5.1743 -5.1743 -5.1719 -5.1719 -5.0167 -5.0167 -4.8529 -4.8529 -4.6429 -4.6429 -4.4861 -4.4861 -4.4767 -4.4767 -4.4691 -4.4691 0.3071 0.3071 0.7363 0.7363 1.7517 1.7517 2.4963 2.4963 2.8828 2.8828 3.3246 3.3246 3.4965 3.4965 3.5739 3.5739 3.6654 3.6654 3.9026 3.9026 3.9746 3.9746 4.1538 4.1538 4.2482 4.2482 4.3046 4.3046 k = 0.5000 0.4064 0.1180 ( 9640 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9758 -23.9758 -23.4920 -23.4920 -23.4057 -23.4057 -23.2506 -23.2506 -23.2183 -23.2183 -5.6785 -5.6785 -5.4226 -5.4226 -5.1743 -5.1743 -5.1718 -5.1718 -5.0167 -5.0167 -4.8528 -4.8528 -4.6427 -4.6427 -4.4861 -4.4861 -4.4767 -4.4767 -4.4691 -4.4691 0.3140 0.3140 0.7370 0.7370 1.7647 1.7647 2.4776 2.4776 2.8891 2.8891 3.3244 3.3244 3.4835 3.4835 3.5627 3.5627 3.6745 3.6745 3.9046 3.9046 3.9801 3.9801 4.1542 4.1542 4.2630 4.2630 4.3086 4.3086 k = 0.5000 0.4064 0.1349 ( 9632 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9758 -23.9758 -23.4920 -23.4920 -23.4057 -23.4057 -23.2506 -23.2506 -23.2183 -23.2183 -5.6784 -5.6784 -5.4225 -5.4225 -5.1743 -5.1743 -5.1718 -5.1718 -5.0166 -5.0166 -4.8527 -4.8527 -4.6426 -4.6426 -4.4861 -4.4861 -4.4767 -4.4767 -4.4691 -4.4691 0.3216 0.3216 0.7377 0.7377 1.7789 1.7789 2.4573 2.4573 2.8968 2.8968 3.3242 3.3242 3.4685 3.4685 3.5508 3.5508 3.6848 3.6848 3.9067 3.9067 3.9864 3.9864 4.1546 4.1546 4.2769 4.2769 4.3136 4.3136 k = 0.5000 0.4064 0.1517 ( 9636 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9758 -23.9758 -23.4920 -23.4920 -23.4058 -23.4058 -23.2506 -23.2506 -23.2183 -23.2183 -5.6784 -5.6784 -5.4225 -5.4225 -5.1743 -5.1743 -5.1718 -5.1718 -5.0166 -5.0166 -4.8527 -4.8527 -4.6425 -4.6425 -4.4861 -4.4861 -4.4767 -4.4767 -4.4691 -4.4691 0.3297 0.3297 0.7385 0.7385 1.7941 1.7941 2.4358 2.4358 2.9058 2.9058 3.3239 3.3239 3.4514 3.4514 3.5387 3.5387 3.6961 3.6961 3.9088 3.9088 3.9937 3.9937 4.1551 4.1551 4.2875 4.2875 4.3185 4.3185 k = 0.5000 0.4064 0.1686 ( 9640 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0800 -25.0800 -24.1677 -24.1677 -23.9758 -23.9758 -23.4920 -23.4920 -23.4058 -23.4058 -23.2506 -23.2506 -23.2184 -23.2184 -5.6784 -5.6784 -5.4225 -5.4225 -5.1743 -5.1743 -5.1718 -5.1718 -5.0166 -5.0166 -4.8527 -4.8527 -4.6424 -4.6424 -4.4861 -4.4861 -4.4767 -4.4767 -4.4691 -4.4691 0.3382 0.3382 0.7393 0.7393 1.8100 1.8100 2.4137 2.4137 2.9165 2.9165 3.3234 3.3234 3.4324 3.4324 3.5266 3.5266 3.7082 3.7082 3.9108 3.9108 4.0019 4.0019 4.1555 4.1555 4.2908 4.2908 4.3213 4.3213 k = 0.5000 0.4064 0.1854 ( 9660 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9757 -23.9757 -23.4920 -23.4920 -23.4058 -23.4058 -23.2506 -23.2506 -23.2184 -23.2184 -5.6785 -5.6785 -5.4225 -5.4225 -5.1744 -5.1744 -5.1719 -5.1719 -5.0167 -5.0167 -4.8527 -4.8527 -4.6424 -4.6424 -4.4862 -4.4862 -4.4768 -4.4768 -4.4691 -4.4691 0.3468 0.3468 0.7401 0.7401 1.8261 1.8261 2.3915 2.3915 2.9289 2.9289 3.3226 3.3226 3.4116 3.4116 3.5148 3.5148 3.7208 3.7208 3.9127 3.9127 4.0109 4.0109 4.1559 4.1559 4.2844 4.2844 4.3213 4.3213 k = 0.5000 0.4064 0.2023 ( 9660 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9757 -23.9757 -23.4920 -23.4920 -23.4059 -23.4059 -23.2506 -23.2506 -23.2184 -23.2184 -5.6785 -5.6785 -5.4224 -5.4224 -5.1744 -5.1744 -5.1719 -5.1719 -5.0167 -5.0167 -4.8526 -4.8526 -4.6423 -4.6423 -4.4862 -4.4862 -4.4767 -4.4767 -4.4691 -4.4691 0.3553 0.3553 0.7408 0.7408 1.8421 1.8421 2.3697 2.3697 2.9431 2.9431 3.3210 3.3210 3.3896 3.3896 3.5036 3.5036 3.7337 3.7337 3.9143 3.9143 4.0208 4.0208 4.1562 4.1562 4.2713 4.2713 4.3126 4.3126 k = 0.5000 0.4064 0.2191 ( 9660 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9757 -23.9757 -23.4920 -23.4920 -23.4059 -23.4059 -23.2506 -23.2506 -23.2184 -23.2184 -5.6785 -5.6785 -5.4224 -5.4224 -5.1744 -5.1744 -5.1719 -5.1719 -5.0167 -5.0167 -4.8526 -4.8526 -4.6422 -4.6422 -4.4862 -4.4862 -4.4767 -4.4767 -4.4691 -4.4691 0.3635 0.3635 0.7416 0.7416 1.8575 1.8575 2.3490 2.3490 2.9592 2.9592 3.3175 3.3175 3.3677 3.3677 3.4933 3.4933 3.7465 3.7465 3.9157 3.9157 4.0315 4.0315 4.1564 4.1564 4.2549 4.2549 4.2988 4.2988 k = 0.5000 0.4064 0.2360 ( 9656 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9757 -23.9757 -23.4920 -23.4920 -23.4059 -23.4059 -23.2506 -23.2506 -23.2185 -23.2185 -5.6784 -5.6784 -5.4223 -5.4223 -5.1744 -5.1744 -5.1719 -5.1719 -5.0166 -5.0166 -4.8526 -4.8526 -4.6421 -4.6421 -4.4862 -4.4862 -4.4767 -4.4767 -4.4691 -4.4691 0.3712 0.3712 0.7423 0.7423 1.8719 1.8719 2.3298 2.3298 2.9773 2.9773 3.3086 3.3086 3.3495 3.3495 3.4839 3.4839 3.7590 3.7590 3.9167 3.9167 4.0431 4.0431 4.1565 4.1565 4.2372 4.2372 4.2852 4.2852 k = 0.5000 0.4064 0.2529 ( 9644 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8514 -25.8514 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9757 -23.9757 -23.4920 -23.4920 -23.4059 -23.4059 -23.2506 -23.2506 -23.2185 -23.2185 -5.6784 -5.6784 -5.4222 -5.4222 -5.1743 -5.1743 -5.1718 -5.1718 -5.0166 -5.0166 -4.8525 -4.8525 -4.6420 -4.6420 -4.4861 -4.4861 -4.4767 -4.4767 -4.4691 -4.4691 0.3782 0.3782 0.7429 0.7429 1.8849 1.8849 2.3126 2.3126 2.9973 2.9973 3.2902 3.2902 3.3396 3.3396 3.4758 3.4758 3.7708 3.7708 3.9175 3.9175 4.0553 4.0553 4.1565 4.1565 4.2191 4.2191 4.2728 4.2728 k = 0.5000 0.4064 0.2697 ( 9644 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6783 -5.6783 -5.4222 -5.4222 -5.1743 -5.1743 -5.1719 -5.1719 -5.0166 -5.0166 -4.8525 -4.8525 -4.6420 -4.6420 -4.4861 -4.4861 -4.4767 -4.4767 -4.4691 -4.4691 0.3843 0.3843 0.7434 0.7434 1.8962 1.8962 2.2979 2.2979 3.0190 3.0190 3.2652 3.2652 3.3355 3.3355 3.4689 3.4689 3.7814 3.7814 3.9179 3.9179 4.0683 4.0683 4.1563 4.1563 4.2014 4.2014 4.2621 4.2621 k = 0.5000 0.4064 0.2866 ( 9660 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6784 -5.6784 -5.4223 -5.4223 -5.1743 -5.1743 -5.1719 -5.1719 -5.0166 -5.0166 -4.8525 -4.8525 -4.6420 -4.6420 -4.4862 -4.4862 -4.4767 -4.4767 -4.4692 -4.4692 0.3892 0.3892 0.7438 0.7438 1.9053 1.9053 2.2860 2.2860 3.0419 3.0419 3.2378 3.2378 3.3338 3.3338 3.4635 3.4635 3.7903 3.7903 3.9181 3.9181 4.0817 4.0817 4.1557 4.1557 4.1844 4.1844 4.2533 4.2533 k = 0.5000 0.4064 0.3034 ( 9644 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6783 -5.6783 -5.4222 -5.4222 -5.1743 -5.1743 -5.1719 -5.1719 -5.0165 -5.0165 -4.8524 -4.8524 -4.6420 -4.6420 -4.4861 -4.4861 -4.4767 -4.4767 -4.4691 -4.4691 0.3928 0.3928 0.7441 0.7441 1.9121 1.9121 2.2773 2.2773 3.0651 3.0651 3.2108 3.2108 3.3330 3.3330 3.4596 3.4596 3.7972 3.7972 3.9182 3.9182 4.0954 4.0954 4.1537 4.1537 4.1698 4.1698 4.2468 4.2468 k = 0.5000 0.4064 0.3203 ( 9632 PWs) bands (ev): -46.6165 -46.6165 -45.8452 -45.8452 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6783 -5.6783 -5.4221 -5.4221 -5.1743 -5.1743 -5.1719 -5.1719 -5.0165 -5.0165 -4.8524 -4.8524 -4.6419 -4.6419 -4.4861 -4.4861 -4.4766 -4.4766 -4.4691 -4.4691 0.3950 0.3950 0.7443 0.7443 1.9162 1.9162 2.2720 2.2720 3.0854 3.0854 3.1880 3.1880 3.3326 3.3326 3.4572 3.4572 3.8015 3.8015 3.9181 3.9181 4.1083 4.1083 4.1467 4.1467 4.1619 4.1619 4.2428 4.2428 k = 0.5000 0.4064 0.3372 ( 9624 PWs) bands (ev): -46.6165 -46.6165 -45.8451 -45.8451 -45.7983 -45.7983 -25.8513 -25.8513 -25.1424 -25.1424 -25.0799 -25.0799 -24.1677 -24.1677 -23.9756 -23.9756 -23.4920 -23.4920 -23.4060 -23.4060 -23.2506 -23.2506 -23.2185 -23.2185 -5.6783 -5.6783 -5.4221 -5.4221 -5.1742 -5.1742 -5.1718 -5.1718 -5.0165 -5.0165 -4.8523 -4.8523 -4.6419 -4.6419 -4.4861 -4.4861 -4.4766 -4.4766 -4.4691 -4.4691 0.3958 0.3958 0.7444 0.7444 1.9176 1.9176 2.2702 2.2702 3.0949 3.0949 3.1777 3.1777 3.3325 3.3325 3.4564 3.4564 3.8030 3.8030 3.9181 3.9181 4.1156 4.1156 4.1404 4.1404 4.1604 4.1604 4.2414 4.2414 Writing output data file Zr3Cd2.save init_run : 1.95s CPU 2.22s WALL ( 1 calls) electrons : 1184.03s CPU 1221.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.11s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 1184.02s CPU 1221.18s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.04s WALL ( 1 calls) newd : 0.90s CPU 0.90s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.15s WALL ( 312 calls) cegterg : 1124.53s CPU 1159.02s WALL ( 1042 calls) Called by sum_band: Called by *egterg: h_psi : 648.05s CPU 689.95s WALL ( 19464 calls) s_psi : 52.33s CPU 52.45s WALL ( 19464 calls) g_psi : 1.77s CPU 1.87s WALL ( 18110 calls) cdiaghg : 288.31s CPU 282.29s WALL ( 18422 calls) cegterg:over : 72.07s CPU 69.87s WALL ( 18110 calls) cegterg:upda : 38.72s CPU 44.87s WALL ( 18110 calls) cegterg:last : 26.24s CPU 27.15s WALL ( 2388 calls) Called by h_psi: h_psi:vloc : 568.16s CPU 608.29s WALL ( 19464 calls) h_psi:vnl : 79.11s CPU 80.34s WALL ( 19464 calls) add_vuspsi : 38.00s CPU 42.57s WALL ( 19464 calls) General routines calbec : 41.07s CPU 37.72s WALL ( 19464 calls) fft : 0.09s CPU 0.13s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 528.38s CPU 560.31s WALL ( 2123248 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.06s CPU 0.28s WALL ( 624 calls) Parallel routines fft_scatter : 325.46s CPU 328.02s WALL ( 2123271 calls) PWSCF : 20m34.91s CPU 21m23.56s WALL This run was terminated on: 16:32:40 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=