Program PWSCF v.5.1.1 starts on 10Jun2016 at 6:23: 1 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Ag2HgI4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 99 51 14 5167 1919 288 Max 100 52 15 5171 1942 295 Sum 4765 2477 697 248049 92589 13949 bravais-lattice index = 14 lattice parameter (alat) = 12.0054 a.u. unit-cell volume = 1730.3465 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.005429 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 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 1279 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 I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Hg 12.00 200.59000 Hg( 1.00) I 7.00 126.90450 I( 1.00) Ag 11.00 107.86820 Ag( 1.00) 8 Sym. Ops. (no 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 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s( 5) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s( 5) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s( 6) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s( 7) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E C2 2S4 -2S4 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 0.00 1.41 -1.41 0.00 0.00 G_7 2.00 -2.00 0.00 -1.41 1.41 0.00 0.00 the symmetry operations in each class: E 1 2C2' -2C2' 2 -2 3 -3 C2 -C2 4 -4 2s_d -2s_d 5 6 -6 -5 2S4 7 8 -E -1 -2S4 -7 -8 Cartesian axes number of k points= 254 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0000000 0.0200000 -0.0000000), wk = 0.0039370 k( 3) = ( 0.0000000 0.0400000 -0.0000000), wk = 0.0039370 k( 4) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0039370 k( 5) = ( 0.0000000 0.0800000 -0.0000000), wk = 0.0039370 k( 6) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0039370 k( 7) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0039370 k( 8) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0039370 k( 9) = ( 0.0000000 0.1600000 -0.0000000), wk = 0.0039370 k( 10) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0039370 k( 11) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0039370 k( 12) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0039370 k( 13) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0039370 k( 14) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0039370 k( 15) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0039370 k( 16) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0039370 k( 17) = ( 0.0000000 0.3200000 -0.0000000), wk = 0.0039370 k( 18) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0039370 k( 19) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0039370 k( 20) = ( 0.0000000 0.3800000 -0.0000000), wk = 0.0039370 k( 21) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0039370 k( 22) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0039370 k( 23) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0039370 k( 24) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0039370 k( 25) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0039370 k( 26) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039370 k( 27) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039370 k( 28) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0039370 k( 29) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0039370 k( 30) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0039370 k( 31) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0039370 k( 32) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0039370 k( 33) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0039370 k( 34) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0039370 k( 35) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0039370 k( 36) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0039370 k( 37) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0039370 k( 38) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0039370 k( 39) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0039370 k( 40) = ( 0.2600000 0.5000000 -0.0000000), wk = 0.0039370 k( 41) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0039370 k( 42) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0039370 k( 43) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0039370 k( 44) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0039370 k( 45) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0039370 k( 46) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0039370 k( 47) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0039370 k( 48) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0039370 k( 49) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0039370 k( 50) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0039370 k( 51) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0039370 k( 52) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 53) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 54) = ( 0.4857143 0.4857143 -0.0000000), wk = 0.0039370 k( 55) = ( 0.4714286 0.4714286 -0.0000000), wk = 0.0039370 k( 56) = ( 0.4571429 0.4571429 -0.0000000), wk = 0.0039370 k( 57) = ( 0.4428571 0.4428571 -0.0000000), wk = 0.0039370 k( 58) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0039370 k( 59) = ( 0.4142857 0.4142857 -0.0000000), wk = 0.0039370 k( 60) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0039370 k( 61) = ( 0.3857143 0.3857143 -0.0000000), wk = 0.0039370 k( 62) = ( 0.3714286 0.3714286 -0.0000000), wk = 0.0039370 k( 63) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0039370 k( 64) = ( 0.3428571 0.3428571 -0.0000000), wk = 0.0039370 k( 65) = ( 0.3285714 0.3285714 -0.0000000), wk = 0.0039370 k( 66) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0039370 k( 67) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0039370 k( 68) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0039370 k( 69) = ( 0.2714286 0.2714286 -0.0000000), wk = 0.0039370 k( 70) = ( 0.2571429 0.2571429 -0.0000000), wk = 0.0039370 k( 71) = ( 0.2428571 0.2428571 -0.0000000), wk = 0.0039370 k( 72) = ( 0.2285714 0.2285714 -0.0000000), wk = 0.0039370 k( 73) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0039370 k( 74) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0039370 k( 75) = ( 0.1857143 0.1857143 -0.0000000), wk = 0.0039370 k( 76) = ( 0.1714286 0.1714286 -0.0000000), wk = 0.0039370 k( 77) = ( 0.1571429 0.1571429 -0.0000000), wk = 0.0039370 k( 78) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0039370 k( 79) = ( 0.1285714 0.1285714 -0.0000000), wk = 0.0039370 k( 80) = ( 0.1142857 0.1142857 -0.0000000), wk = 0.0039370 k( 81) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0039370 k( 82) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0039370 k( 83) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0039370 k( 84) = ( 0.0571429 0.0571429 -0.0000000), wk = 0.0039370 k( 85) = ( 0.0428571 0.0428571 -0.0000000), wk = 0.0039370 k( 86) = ( 0.0285714 0.0285714 -0.0000000), wk = 0.0039370 k( 87) = ( 0.0142857 0.0142857 -0.0000000), wk = 0.0039370 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 90) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0039370 k( 91) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0039370 k( 92) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0039370 k( 93) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0039370 k( 94) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0039370 k( 95) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0039370 k( 96) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0039370 k( 97) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0039370 k( 98) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0039370 k( 99) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0039370 k( 100) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0039370 k( 101) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0039370 k( 102) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0039370 k( 103) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0039370 k( 104) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0039370 k( 105) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0039370 k( 106) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0039370 k( 107) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0039370 k( 108) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0039370 k( 109) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0039370 k( 110) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0039370 k( 111) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0039370 k( 112) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0039370 k( 113) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0039370 k( 114) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 115) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 116) = ( 0.0000000 0.0200000 0.5000000), wk = 0.0039370 k( 117) = ( 0.0000000 0.0400000 0.5000000), wk = 0.0039370 k( 118) = ( 0.0000000 0.0600000 0.5000000), wk = 0.0039370 k( 119) = ( 0.0000000 0.0800000 0.5000000), wk = 0.0039370 k( 120) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0039370 k( 121) = ( 0.0000000 0.1200000 0.5000000), wk = 0.0039370 k( 122) = ( 0.0000000 0.1400000 0.5000000), wk = 0.0039370 k( 123) = ( 0.0000000 0.1600000 0.5000000), wk = 0.0039370 k( 124) = ( 0.0000000 0.1800000 0.5000000), wk = 0.0039370 k( 125) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0039370 k( 126) = ( 0.0000000 0.2200000 0.5000000), wk = 0.0039370 k( 127) = ( 0.0000000 0.2400000 0.5000000), wk = 0.0039370 k( 128) = ( 0.0000000 0.2600000 0.5000000), wk = 0.0039370 k( 129) = ( 0.0000000 0.2800000 0.5000000), wk = 0.0039370 k( 130) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0039370 k( 131) = ( 0.0000000 0.3200000 0.5000000), wk = 0.0039370 k( 132) = ( 0.0000000 0.3400000 0.5000000), wk = 0.0039370 k( 133) = ( 0.0000000 0.3600000 0.5000000), wk = 0.0039370 k( 134) = ( 0.0000000 0.3800000 0.5000000), wk = 0.0039370 k( 135) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0039370 k( 136) = ( 0.0000000 0.4200000 0.5000000), wk = 0.0039370 k( 137) = ( 0.0000000 0.4400000 0.5000000), wk = 0.0039370 k( 138) = ( 0.0000000 0.4600000 0.5000000), wk = 0.0039370 k( 139) = ( 0.0000000 0.4800000 0.5000000), wk = 0.0039370 k( 140) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039370 k( 141) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039370 k( 142) = ( 0.0200000 0.5000000 0.5000000), wk = 0.0039370 k( 143) = ( 0.0400000 0.5000000 0.5000000), wk = 0.0039370 k( 144) = ( 0.0600000 0.5000000 0.5000000), wk = 0.0039370 k( 145) = ( 0.0800000 0.5000000 0.5000000), wk = 0.0039370 k( 146) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0039370 k( 147) = ( 0.1200000 0.5000000 0.5000000), wk = 0.0039370 k( 148) = ( 0.1400000 0.5000000 0.5000000), wk = 0.0039370 k( 149) = ( 0.1600000 0.5000000 0.5000000), wk = 0.0039370 k( 150) = ( 0.1800000 0.5000000 0.5000000), wk = 0.0039370 k( 151) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0039370 k( 152) = ( 0.2200000 0.5000000 0.5000000), wk = 0.0039370 k( 153) = ( 0.2400000 0.5000000 0.5000000), wk = 0.0039370 k( 154) = ( 0.2600000 0.5000000 0.5000000), wk = 0.0039370 k( 155) = ( 0.2800000 0.5000000 0.5000000), wk = 0.0039370 k( 156) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0039370 k( 157) = ( 0.3200000 0.5000000 0.5000000), wk = 0.0039370 k( 158) = ( 0.3400000 0.5000000 0.5000000), wk = 0.0039370 k( 159) = ( 0.3600000 0.5000000 0.5000000), wk = 0.0039370 k( 160) = ( 0.3800000 0.5000000 0.5000000), wk = 0.0039370 k( 161) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0039370 k( 162) = ( 0.4200000 0.5000000 0.5000000), wk = 0.0039370 k( 163) = ( 0.4400000 0.5000000 0.5000000), wk = 0.0039370 k( 164) = ( 0.4600000 0.5000000 0.5000000), wk = 0.0039370 k( 165) = ( 0.4800000 0.5000000 0.5000000), wk = 0.0039370 k( 166) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 167) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 168) = ( 0.4857143 0.4857143 0.5000000), wk = 0.0039370 k( 169) = ( 0.4714286 0.4714286 0.5000000), wk = 0.0039370 k( 170) = ( 0.4571429 0.4571429 0.5000000), wk = 0.0039370 k( 171) = ( 0.4428571 0.4428571 0.5000000), wk = 0.0039370 k( 172) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0039370 k( 173) = ( 0.4142857 0.4142857 0.5000000), wk = 0.0039370 k( 174) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0039370 k( 175) = ( 0.3857143 0.3857143 0.5000000), wk = 0.0039370 k( 176) = ( 0.3714286 0.3714286 0.5000000), wk = 0.0039370 k( 177) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0039370 k( 178) = ( 0.3428571 0.3428571 0.5000000), wk = 0.0039370 k( 179) = ( 0.3285714 0.3285714 0.5000000), wk = 0.0039370 k( 180) = ( 0.3142857 0.3142857 0.5000000), wk = 0.0039370 k( 181) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0039370 k( 182) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0039370 k( 183) = ( 0.2714286 0.2714286 0.5000000), wk = 0.0039370 k( 184) = ( 0.2571429 0.2571429 0.5000000), wk = 0.0039370 k( 185) = ( 0.2428571 0.2428571 0.5000000), wk = 0.0039370 k( 186) = ( 0.2285714 0.2285714 0.5000000), wk = 0.0039370 k( 187) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0039370 k( 188) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0039370 k( 189) = ( 0.1857143 0.1857143 0.5000000), wk = 0.0039370 k( 190) = ( 0.1714286 0.1714286 0.5000000), wk = 0.0039370 k( 191) = ( 0.1571429 0.1571429 0.5000000), wk = 0.0039370 k( 192) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0039370 k( 193) = ( 0.1285714 0.1285714 0.5000000), wk = 0.0039370 k( 194) = ( 0.1142857 0.1142857 0.5000000), wk = 0.0039370 k( 195) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0039370 k( 196) = ( 0.0857143 0.0857143 0.5000000), wk = 0.0039370 k( 197) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0039370 k( 198) = ( 0.0571429 0.0571429 0.5000000), wk = 0.0039370 k( 199) = ( 0.0428571 0.0428571 0.5000000), wk = 0.0039370 k( 200) = ( 0.0285714 0.0285714 0.5000000), wk = 0.0039370 k( 201) = ( 0.0142857 0.0142857 0.5000000), wk = 0.0039370 k( 202) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 203) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039370 k( 204) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0039370 k( 205) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0039370 k( 206) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0039370 k( 207) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0039370 k( 208) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0039370 k( 209) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0039370 k( 210) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0039370 k( 211) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0039370 k( 212) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0039370 k( 213) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0039370 k( 214) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0039370 k( 215) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0039370 k( 216) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0039370 k( 217) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0039370 k( 218) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0039370 k( 219) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0039370 k( 220) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0039370 k( 221) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0039370 k( 222) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0039370 k( 223) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0039370 k( 224) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0039370 k( 225) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0039370 k( 226) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0039370 k( 227) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0039370 k( 228) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039370 k( 229) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 230) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0039370 k( 231) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0039370 k( 232) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0039370 k( 233) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0039370 k( 234) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0039370 k( 235) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0039370 k( 236) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0039370 k( 237) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0039370 k( 238) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0039370 k( 239) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0039370 k( 240) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0039370 k( 241) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0039370 k( 242) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0039370 k( 243) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0039370 k( 244) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0039370 k( 245) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0039370 k( 246) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0039370 k( 247) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0039370 k( 248) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0039370 k( 249) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0039370 k( 250) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0039370 k( 251) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0039370 k( 252) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0039370 k( 253) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0039370 k( 254) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0039370 k( 3) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0039370 k( 4) = ( 0.0000000 0.0600000 0.0000000), wk = 0.0039370 k( 5) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0039370 k( 6) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0039370 k( 7) = ( 0.0000000 0.1200000 0.0000000), wk = 0.0039370 k( 8) = ( 0.0000000 0.1400000 0.0000000), wk = 0.0039370 k( 9) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0039370 k( 10) = ( 0.0000000 0.1800000 0.0000000), wk = 0.0039370 k( 11) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0039370 k( 12) = ( 0.0000000 0.2200000 0.0000000), wk = 0.0039370 k( 13) = ( 0.0000000 0.2400000 0.0000000), wk = 0.0039370 k( 14) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0039370 k( 15) = ( 0.0000000 0.2800000 0.0000000), wk = 0.0039370 k( 16) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0039370 k( 17) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0039370 k( 18) = ( 0.0000000 0.3400000 0.0000000), wk = 0.0039370 k( 19) = ( 0.0000000 0.3600000 0.0000000), wk = 0.0039370 k( 20) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0039370 k( 21) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0039370 k( 22) = ( 0.0000000 0.4200000 0.0000000), wk = 0.0039370 k( 23) = ( 0.0000000 0.4400000 0.0000000), wk = 0.0039370 k( 24) = ( 0.0000000 0.4600000 0.0000000), wk = 0.0039370 k( 25) = ( 0.0000000 0.4800000 0.0000000), wk = 0.0039370 k( 26) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 27) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 28) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0039370 k( 29) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0039370 k( 30) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0039370 k( 31) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0039370 k( 32) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0039370 k( 33) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0039370 k( 34) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0039370 k( 35) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0039370 k( 36) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0039370 k( 37) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0039370 k( 38) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0039370 k( 39) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0039370 k( 40) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0039370 k( 41) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0039370 k( 42) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0039370 k( 43) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0039370 k( 44) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0039370 k( 45) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0039370 k( 46) = ( 0.3800000 0.5000000 0.0000000), wk = 0.0039370 k( 47) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0039370 k( 48) = ( 0.4200000 0.5000000 0.0000000), wk = 0.0039370 k( 49) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0039370 k( 50) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0039370 k( 51) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0039370 k( 52) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 53) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 54) = ( 0.4857143 0.4857143 0.0000000), wk = 0.0039370 k( 55) = ( 0.4714286 0.4714286 0.0000000), wk = 0.0039370 k( 56) = ( 0.4571429 0.4571429 0.0000000), wk = 0.0039370 k( 57) = ( 0.4428571 0.4428571 0.0000000), wk = 0.0039370 k( 58) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0039370 k( 59) = ( 0.4142857 0.4142857 0.0000000), wk = 0.0039370 k( 60) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0039370 k( 61) = ( 0.3857143 0.3857143 0.0000000), wk = 0.0039370 k( 62) = ( 0.3714286 0.3714286 0.0000000), wk = 0.0039370 k( 63) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0039370 k( 64) = ( 0.3428571 0.3428571 0.0000000), wk = 0.0039370 k( 65) = ( 0.3285714 0.3285714 0.0000000), wk = 0.0039370 k( 66) = ( 0.3142857 0.3142857 0.0000000), wk = 0.0039370 k( 67) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0039370 k( 68) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0039370 k( 69) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0039370 k( 70) = ( 0.2571429 0.2571429 0.0000000), wk = 0.0039370 k( 71) = ( 0.2428571 0.2428571 0.0000000), wk = 0.0039370 k( 72) = ( 0.2285714 0.2285714 0.0000000), wk = 0.0039370 k( 73) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0039370 k( 74) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0039370 k( 75) = ( 0.1857143 0.1857143 0.0000000), wk = 0.0039370 k( 76) = ( 0.1714286 0.1714286 0.0000000), wk = 0.0039370 k( 77) = ( 0.1571429 0.1571429 0.0000000), wk = 0.0039370 k( 78) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0039370 k( 79) = ( 0.1285714 0.1285714 0.0000000), wk = 0.0039370 k( 80) = ( 0.1142857 0.1142857 0.0000000), wk = 0.0039370 k( 81) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0039370 k( 82) = ( 0.0857143 0.0857143 0.0000000), wk = 0.0039370 k( 83) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0039370 k( 84) = ( 0.0571429 0.0571429 0.0000000), wk = 0.0039370 k( 85) = ( 0.0428571 0.0428571 0.0000000), wk = 0.0039370 k( 86) = ( 0.0285714 0.0285714 0.0000000), wk = 0.0039370 k( 87) = ( 0.0142857 0.0142857 0.0000000), wk = 0.0039370 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 90) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0039370 k( 91) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0039370 k( 92) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0039370 k( 93) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0039370 k( 94) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0039370 k( 95) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0039370 k( 96) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0039370 k( 97) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0039370 k( 98) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0039370 k( 99) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0039370 k( 100) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0039370 k( 101) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0039370 k( 102) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0039370 k( 103) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0039370 k( 104) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0039370 k( 105) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0039370 k( 106) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0039370 k( 107) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0039370 k( 108) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0039370 k( 109) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0039370 k( 110) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0039370 k( 111) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0039370 k( 112) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0039370 k( 113) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0039370 k( 114) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 115) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 116) = ( 0.0000000 0.0200000 0.5000000), wk = 0.0039370 k( 117) = ( 0.0000000 0.0400000 0.5000000), wk = 0.0039370 k( 118) = ( 0.0000000 0.0600000 0.5000000), wk = 0.0039370 k( 119) = ( 0.0000000 0.0800000 0.5000000), wk = 0.0039370 k( 120) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0039370 k( 121) = ( 0.0000000 0.1200000 0.5000000), wk = 0.0039370 k( 122) = ( 0.0000000 0.1400000 0.5000000), wk = 0.0039370 k( 123) = ( 0.0000000 0.1600000 0.5000000), wk = 0.0039370 k( 124) = ( 0.0000000 0.1800000 0.5000000), wk = 0.0039370 k( 125) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0039370 k( 126) = ( 0.0000000 0.2200000 0.5000000), wk = 0.0039370 k( 127) = ( 0.0000000 0.2400000 0.5000000), wk = 0.0039370 k( 128) = ( 0.0000000 0.2600000 0.5000000), wk = 0.0039370 k( 129) = ( 0.0000000 0.2800000 0.5000000), wk = 0.0039370 k( 130) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0039370 k( 131) = ( 0.0000000 0.3200000 0.5000000), wk = 0.0039370 k( 132) = ( 0.0000000 0.3400000 0.5000000), wk = 0.0039370 k( 133) = ( 0.0000000 0.3600000 0.5000000), wk = 0.0039370 k( 134) = ( 0.0000000 0.3800000 0.5000000), wk = 0.0039370 k( 135) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0039370 k( 136) = ( 0.0000000 0.4200000 0.5000000), wk = 0.0039370 k( 137) = ( 0.0000000 0.4400000 0.5000000), wk = 0.0039370 k( 138) = ( 0.0000000 0.4600000 0.5000000), wk = 0.0039370 k( 139) = ( 0.0000000 0.4800000 0.5000000), wk = 0.0039370 k( 140) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039370 k( 141) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039370 k( 142) = ( 0.0200000 0.5000000 0.5000000), wk = 0.0039370 k( 143) = ( 0.0400000 0.5000000 0.5000000), wk = 0.0039370 k( 144) = ( 0.0600000 0.5000000 0.5000000), wk = 0.0039370 k( 145) = ( 0.0800000 0.5000000 0.5000000), wk = 0.0039370 k( 146) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0039370 k( 147) = ( 0.1200000 0.5000000 0.5000000), wk = 0.0039370 k( 148) = ( 0.1400000 0.5000000 0.5000000), wk = 0.0039370 k( 149) = ( 0.1600000 0.5000000 0.5000000), wk = 0.0039370 k( 150) = ( 0.1800000 0.5000000 0.5000000), wk = 0.0039370 k( 151) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0039370 k( 152) = ( 0.2200000 0.5000000 0.5000000), wk = 0.0039370 k( 153) = ( 0.2400000 0.5000000 0.5000000), wk = 0.0039370 k( 154) = ( 0.2600000 0.5000000 0.5000000), wk = 0.0039370 k( 155) = ( 0.2800000 0.5000000 0.5000000), wk = 0.0039370 k( 156) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0039370 k( 157) = ( 0.3200000 0.5000000 0.5000000), wk = 0.0039370 k( 158) = ( 0.3400000 0.5000000 0.5000000), wk = 0.0039370 k( 159) = ( 0.3600000 0.5000000 0.5000000), wk = 0.0039370 k( 160) = ( 0.3800000 0.5000000 0.5000000), wk = 0.0039370 k( 161) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0039370 k( 162) = ( 0.4200000 0.5000000 0.5000000), wk = 0.0039370 k( 163) = ( 0.4400000 0.5000000 0.5000000), wk = 0.0039370 k( 164) = ( 0.4600000 0.5000000 0.5000000), wk = 0.0039370 k( 165) = ( 0.4800000 0.5000000 0.5000000), wk = 0.0039370 k( 166) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 167) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 168) = ( 0.4857143 0.4857143 0.5000000), wk = 0.0039370 k( 169) = ( 0.4714286 0.4714286 0.5000000), wk = 0.0039370 k( 170) = ( 0.4571429 0.4571429 0.5000000), wk = 0.0039370 k( 171) = ( 0.4428571 0.4428571 0.5000000), wk = 0.0039370 k( 172) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0039370 k( 173) = ( 0.4142857 0.4142857 0.5000000), wk = 0.0039370 k( 174) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0039370 k( 175) = ( 0.3857143 0.3857143 0.5000000), wk = 0.0039370 k( 176) = ( 0.3714286 0.3714286 0.5000000), wk = 0.0039370 k( 177) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0039370 k( 178) = ( 0.3428571 0.3428571 0.5000000), wk = 0.0039370 k( 179) = ( 0.3285714 0.3285714 0.5000000), wk = 0.0039370 k( 180) = ( 0.3142857 0.3142857 0.5000000), wk = 0.0039370 k( 181) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0039370 k( 182) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0039370 k( 183) = ( 0.2714286 0.2714286 0.5000000), wk = 0.0039370 k( 184) = ( 0.2571429 0.2571429 0.5000000), wk = 0.0039370 k( 185) = ( 0.2428571 0.2428571 0.5000000), wk = 0.0039370 k( 186) = ( 0.2285714 0.2285714 0.5000000), wk = 0.0039370 k( 187) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0039370 k( 188) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0039370 k( 189) = ( 0.1857143 0.1857143 0.5000000), wk = 0.0039370 k( 190) = ( 0.1714286 0.1714286 0.5000000), wk = 0.0039370 k( 191) = ( 0.1571429 0.1571429 0.5000000), wk = 0.0039370 k( 192) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0039370 k( 193) = ( 0.1285714 0.1285714 0.5000000), wk = 0.0039370 k( 194) = ( 0.1142857 0.1142857 0.5000000), wk = 0.0039370 k( 195) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0039370 k( 196) = ( 0.0857143 0.0857143 0.5000000), wk = 0.0039370 k( 197) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0039370 k( 198) = ( 0.0571429 0.0571429 0.5000000), wk = 0.0039370 k( 199) = ( 0.0428571 0.0428571 0.5000000), wk = 0.0039370 k( 200) = ( 0.0285714 0.0285714 0.5000000), wk = 0.0039370 k( 201) = ( 0.0142857 0.0142857 0.5000000), wk = 0.0039370 k( 202) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 203) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 204) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0039370 k( 205) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0039370 k( 206) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0039370 k( 207) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0039370 k( 208) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0039370 k( 209) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0039370 k( 210) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0039370 k( 211) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0039370 k( 212) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0039370 k( 213) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0039370 k( 214) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0039370 k( 215) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0039370 k( 216) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0039370 k( 217) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0039370 k( 218) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0039370 k( 219) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0039370 k( 220) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0039370 k( 221) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0039370 k( 222) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0039370 k( 223) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0039370 k( 224) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0039370 k( 225) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0039370 k( 226) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0039370 k( 227) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0039370 k( 228) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039370 k( 229) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 230) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0039370 k( 231) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0039370 k( 232) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0039370 k( 233) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0039370 k( 234) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0039370 k( 235) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0039370 k( 236) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0039370 k( 237) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0039370 k( 238) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0039370 k( 239) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0039370 k( 240) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0039370 k( 241) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0039370 k( 242) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0039370 k( 243) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0039370 k( 244) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0039370 k( 245) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0039370 k( 246) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0039370 k( 247) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0039370 k( 248) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0039370 k( 249) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0039370 k( 250) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0039370 k( 251) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0039370 k( 252) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0039370 k( 253) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0039370 k( 254) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 Dense grid: 248049 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 92589 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.60 Mb ( 532, 74) NL pseudopotentials 0.67 Mb ( 266, 166) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.04 Mb ( 5167) G-vector shells 0.01 Mb ( 1017) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.40 Mb ( 532, 296) Each subspace H/S matrix 1.34 Mb ( 296, 296) Each matrix 0.37 Mb ( 166, 2, 74) The potential is recalculated from file : ./Ag2HgI4.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.8 secs Computing kpt #: 2 total cpu time spent up to now is 53.9 secs Computing kpt #: 3 total cpu time spent up to now is 60.1 secs Computing kpt #: 4 total cpu time spent up to now is 66.2 secs Computing kpt #: 5 total cpu time spent up to now is 72.3 secs Computing kpt #: 6 total cpu time spent up to now is 78.5 secs Computing kpt #: 7 total cpu time spent up to now is 84.7 secs Computing kpt #: 8 total cpu time spent up to now is 91.1 secs Computing kpt #: 9 total cpu time spent up to now is 97.4 secs Computing kpt #: 10 total cpu time spent up to now is 103.7 secs Computing kpt #: 11 total cpu time spent up to now is 109.9 secs Computing kpt #: 12 total cpu time spent up to now is 116.2 secs Computing kpt #: 13 total cpu time spent up to now is 122.5 secs Computing kpt #: 14 total cpu time spent up to now is 129.0 secs Computing kpt #: 15 total cpu time spent up to now is 135.6 secs Computing kpt #: 16 total cpu time spent up to now is 142.2 secs Computing kpt #: 17 total cpu time spent up to now is 149.0 secs Computing kpt #: 18 total cpu time spent up to now is 156.1 secs Computing kpt #: 19 total cpu time spent up to now is 163.3 secs Computing kpt #: 20 total cpu time spent up to now is 171.4 secs Computing kpt #: 21 total cpu time spent up to now is 179.8 secs Computing kpt #: 22 total cpu time spent up to now is 188.2 secs Computing kpt #: 23 total cpu time spent up to now is 196.9 secs Computing kpt #: 24 total cpu time spent up to now is 205.3 secs Computing kpt #: 25 total cpu time spent up to now is 213.4 secs Computing kpt #: 26 total cpu time spent up to now is 220.8 secs Computing kpt #: 27 total cpu time spent up to now is 228.7 secs Computing kpt #: 28 total cpu time spent up to now is 236.8 secs Computing kpt #: 29 total cpu time spent up to now is 245.0 secs Computing kpt #: 30 total cpu time spent up to now is 253.1 secs Computing kpt #: 31 total cpu time spent up to now is 261.3 secs Computing kpt #: 32 total cpu time spent up to now is 269.6 secs Computing kpt #: 33 total cpu time spent up to now is 278.4 secs Computing kpt #: 34 total cpu time spent up to now is 286.9 secs Computing kpt #: 35 total cpu time spent up to now is 297.2 secs Computing kpt #: 36 total cpu time spent up to now is 306.0 secs Computing kpt #: 37 total cpu time spent up to now is 314.3 secs Computing kpt #: 38 total cpu time spent up to now is 322.5 secs Computing kpt #: 39 total cpu time spent up to now is 330.1 secs Computing kpt #: 40 total cpu time spent up to now is 337.7 secs Computing kpt #: 41 total cpu time spent up to now is 346.5 secs Computing kpt #: 42 total cpu time spent up to now is 354.0 secs Computing kpt #: 43 total cpu time spent up to now is 361.8 secs Computing kpt #: 44 total cpu time spent up to now is 370.3 secs Computing kpt #: 45 total cpu time spent up to now is 379.2 secs Computing kpt #: 46 total cpu time spent up to now is 388.7 secs Computing kpt #: 47 total cpu time spent up to now is 397.7 secs Computing kpt #: 48 total cpu time spent up to now is 406.3 secs Computing kpt #: 49 total cpu time spent up to now is 414.7 secs Computing kpt #: 50 total cpu time spent up to now is 423.2 secs Computing kpt #: 51 total cpu time spent up to now is 431.5 secs Computing kpt #: 52 total cpu time spent up to now is 439.6 secs Computing kpt #: 53 total cpu time spent up to now is 447.7 secs Computing kpt #: 54 total cpu time spent up to now is 455.4 secs Computing kpt #: 55 total cpu time spent up to now is 463.7 secs Computing kpt #: 56 total cpu time spent up to now is 472.1 secs Computing kpt #: 57 total cpu time spent up to now is 480.6 secs Computing kpt #: 58 total cpu time spent up to now is 489.4 secs Computing kpt #: 59 total cpu time spent up to now is 499.0 secs Computing kpt #: 60 total cpu time spent up to now is 507.8 secs Computing kpt #: 61 total cpu time spent up to now is 516.6 secs Computing kpt #: 62 total cpu time spent up to now is 525.1 secs Computing kpt #: 63 total cpu time spent up to now is 533.5 secs Computing kpt #: 64 total cpu time spent up to now is 541.7 secs Computing kpt #: 65 total cpu time spent up to now is 549.5 secs Computing kpt #: 66 total cpu time spent up to now is 557.5 secs Computing kpt #: 67 total cpu time spent up to now is 564.9 secs Computing kpt #: 68 total cpu time spent up to now is 572.2 secs Computing kpt #: 69 total cpu time spent up to now is 579.4 secs Computing kpt #: 70 total cpu time spent up to now is 586.5 secs Computing kpt #: 71 total cpu time spent up to now is 593.6 secs Computing kpt #: 72 total cpu time spent up to now is 600.6 secs Computing kpt #: 73 total cpu time spent up to now is 607.3 secs Computing kpt #: 74 total cpu time spent up to now is 614.1 secs Computing kpt #: 75 total cpu time spent up to now is 620.8 secs Computing kpt #: 76 total cpu time spent up to now is 627.5 secs Computing kpt #: 77 total cpu time spent up to now is 633.8 secs Computing kpt #: 78 total cpu time spent up to now is 640.9 secs Computing kpt #: 79 total cpu time spent up to now is 649.3 secs Computing kpt #: 80 total cpu time spent up to now is 655.7 secs Computing kpt #: 81 total cpu time spent up to now is 662.0 secs Computing kpt #: 82 total cpu time spent up to now is 668.3 secs Computing kpt #: 83 total cpu time spent up to now is 674.5 secs Computing kpt #: 84 total cpu time spent up to now is 680.6 secs Computing kpt #: 85 total cpu time spent up to now is 686.8 secs Computing kpt #: 86 total cpu time spent up to now is 692.9 secs Computing kpt #: 87 total cpu time spent up to now is 699.1 secs Computing kpt #: 88 total cpu time spent up to now is 705.2 secs Computing kpt #: 89 total cpu time spent up to now is 711.3 secs Computing kpt #: 90 total cpu time spent up to now is 717.4 secs Computing kpt #: 91 total cpu time spent up to now is 723.4 secs Computing kpt #: 92 total cpu time spent up to now is 729.6 secs Computing kpt #: 93 total cpu time spent up to now is 735.7 secs Computing kpt #: 94 total cpu time spent up to now is 741.9 secs Computing kpt #: 95 total cpu time spent up to now is 748.2 secs Computing kpt #: 96 total cpu time spent up to now is 754.6 secs Computing kpt #: 97 total cpu time spent up to now is 760.8 secs Computing kpt #: 98 total cpu time spent up to now is 767.1 secs Computing kpt #: 99 total cpu time spent up to now is 773.4 secs Computing kpt #: 100 total cpu time spent up to now is 779.7 secs Computing kpt #: 101 total cpu time spent up to now is 786.1 secs Computing kpt #: 102 total cpu time spent up to now is 792.5 secs Computing kpt #: 103 total cpu time spent up to now is 799.3 secs Computing kpt #: 104 total cpu time spent up to now is 805.9 secs Computing kpt #: 105 total cpu time spent up to now is 812.8 secs Computing kpt #: 106 total cpu time spent up to now is 819.8 secs Computing kpt #: 107 total cpu time spent up to now is 827.1 secs Computing kpt #: 108 total cpu time spent up to now is 835.2 secs Computing kpt #: 109 total cpu time spent up to now is 843.6 secs Computing kpt #: 110 total cpu time spent up to now is 852.2 secs Computing kpt #: 111 total cpu time spent up to now is 860.6 secs Computing kpt #: 112 total cpu time spent up to now is 869.0 secs Computing kpt #: 113 total cpu time spent up to now is 877.1 secs Computing kpt #: 114 total cpu time spent up to now is 884.5 secs Computing kpt #: 115 total cpu time spent up to now is 892.0 secs Computing kpt #: 116 total cpu time spent up to now is 899.6 secs Computing kpt #: 117 total cpu time spent up to now is 907.3 secs Computing kpt #: 118 total cpu time spent up to now is 915.0 secs Computing kpt #: 119 total cpu time spent up to now is 923.1 secs Computing kpt #: 120 total cpu time spent up to now is 930.8 secs Computing kpt #: 121 total cpu time spent up to now is 939.1 secs Computing kpt #: 122 total cpu time spent up to now is 949.4 secs Computing kpt #: 123 total cpu time spent up to now is 957.5 secs Computing kpt #: 124 total cpu time spent up to now is 965.1 secs Computing kpt #: 125 total cpu time spent up to now is 972.7 secs Computing kpt #: 126 total cpu time spent up to now is 980.3 secs Computing kpt #: 127 total cpu time spent up to now is 987.6 secs Computing kpt #: 128 total cpu time spent up to now is 995.0 secs Computing kpt #: 129 total cpu time spent up to now is 1002.4 secs Computing kpt #: 130 total cpu time spent up to now is 1010.0 secs Computing kpt #: 131 total cpu time spent up to now is 1017.7 secs Computing kpt #: 132 total cpu time spent up to now is 1025.3 secs Computing kpt #: 133 total cpu time spent up to now is 1033.7 secs Computing kpt #: 134 total cpu time spent up to now is 1042.0 secs Computing kpt #: 135 total cpu time spent up to now is 1052.7 secs Computing kpt #: 136 total cpu time spent up to now is 1061.7 secs Computing kpt #: 137 total cpu time spent up to now is 1071.5 secs Computing kpt #: 138 total cpu time spent up to now is 1082.8 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1096.2 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1108.6 secs Computing kpt #: 141 total cpu time spent up to now is 1118.1 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1130.4 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1142.9 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1155.5 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1168.0 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1180.9 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1193.3 secs Computing kpt #: 148 total cpu time spent up to now is 1204.0 secs Computing kpt #: 149 total cpu time spent up to now is 1213.4 secs Computing kpt #: 150 total cpu time spent up to now is 1224.1 secs Computing kpt #: 151 total cpu time spent up to now is 1234.0 secs Computing kpt #: 152 total cpu time spent up to now is 1245.6 secs Computing kpt #: 153 total cpu time spent up to now is 1255.0 secs Computing kpt #: 154 total cpu time spent up to now is 1264.3 secs Computing kpt #: 155 total cpu time spent up to now is 1272.9 secs Computing kpt #: 156 total cpu time spent up to now is 1281.9 secs Computing kpt #: 157 total cpu time spent up to now is 1290.9 secs Computing kpt #: 158 total cpu time spent up to now is 1299.4 secs Computing kpt #: 159 total cpu time spent up to now is 1308.0 secs Computing kpt #: 160 total cpu time spent up to now is 1317.0 secs Computing kpt #: 161 total cpu time spent up to now is 1326.1 secs Computing kpt #: 162 total cpu time spent up to now is 1335.6 secs Computing kpt #: 163 total cpu time spent up to now is 1345.2 secs Computing kpt #: 164 total cpu time spent up to now is 1355.5 secs Computing kpt #: 165 total cpu time spent up to now is 1365.9 secs Computing kpt #: 166 total cpu time spent up to now is 1376.5 secs Computing kpt #: 167 total cpu time spent up to now is 1387.4 secs Computing kpt #: 168 total cpu time spent up to now is 1398.6 secs Computing kpt #: 169 total cpu time spent up to now is 1409.4 secs Computing kpt #: 170 total cpu time spent up to now is 1419.9 secs Computing kpt #: 171 total cpu time spent up to now is 1430.6 secs Computing kpt #: 172 total cpu time spent up to now is 1441.6 secs Computing kpt #: 173 total cpu time spent up to now is 1453.5 secs Computing kpt #: 174 total cpu time spent up to now is 1465.6 secs Computing kpt #: 175 total cpu time spent up to now is 1477.4 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1490.0 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1502.6 secs Computing kpt #: 178 total cpu time spent up to now is 1512.1 secs Computing kpt #: 179 total cpu time spent up to now is 1521.0 secs Computing kpt #: 180 total cpu time spent up to now is 1529.5 secs Computing kpt #: 181 total cpu time spent up to now is 1537.6 secs Computing kpt #: 182 total cpu time spent up to now is 1548.5 secs Computing kpt #: 183 total cpu time spent up to now is 1556.6 secs Computing kpt #: 184 total cpu time spent up to now is 1564.8 secs Computing kpt #: 185 total cpu time spent up to now is 1572.5 secs Computing kpt #: 186 total cpu time spent up to now is 1580.2 secs Computing kpt #: 187 total cpu time spent up to now is 1587.8 secs Computing kpt #: 188 total cpu time spent up to now is 1595.4 secs Computing kpt #: 189 total cpu time spent up to now is 1602.9 secs Computing kpt #: 190 total cpu time spent up to now is 1610.5 secs Computing kpt #: 191 total cpu time spent up to now is 1618.0 secs Computing kpt #: 192 total cpu time spent up to now is 1625.7 secs Computing kpt #: 193 total cpu time spent up to now is 1633.5 secs Computing kpt #: 194 total cpu time spent up to now is 1641.7 secs Computing kpt #: 195 total cpu time spent up to now is 1650.0 secs Computing kpt #: 196 total cpu time spent up to now is 1658.2 secs Computing kpt #: 197 total cpu time spent up to now is 1666.4 secs Computing kpt #: 198 total cpu time spent up to now is 1674.6 secs Computing kpt #: 199 total cpu time spent up to now is 1682.3 secs Computing kpt #: 200 total cpu time spent up to now is 1690.3 secs Computing kpt #: 201 total cpu time spent up to now is 1698.2 secs Computing kpt #: 202 total cpu time spent up to now is 1705.6 secs Computing kpt #: 203 total cpu time spent up to now is 1713.1 secs Computing kpt #: 204 total cpu time spent up to now is 1720.6 secs Computing kpt #: 205 total cpu time spent up to now is 1728.3 secs Computing kpt #: 206 total cpu time spent up to now is 1736.0 secs Computing kpt #: 207 total cpu time spent up to now is 1743.6 secs Computing kpt #: 208 total cpu time spent up to now is 1751.8 secs Computing kpt #: 209 total cpu time spent up to now is 1759.5 secs Computing kpt #: 210 total cpu time spent up to now is 1767.3 secs Computing kpt #: 211 total cpu time spent up to now is 1774.8 secs Computing kpt #: 212 total cpu time spent up to now is 1782.5 secs Computing kpt #: 213 total cpu time spent up to now is 1789.9 secs Computing kpt #: 214 total cpu time spent up to now is 1797.3 secs Computing kpt #: 215 total cpu time spent up to now is 1804.6 secs Computing kpt #: 216 total cpu time spent up to now is 1811.8 secs Computing kpt #: 217 total cpu time spent up to now is 1819.1 secs Computing kpt #: 218 total cpu time spent up to now is 1826.6 secs Computing kpt #: 219 total cpu time spent up to now is 1834.2 secs Computing kpt #: 220 total cpu time spent up to now is 1843.4 secs Computing kpt #: 221 total cpu time spent up to now is 1852.4 secs Computing kpt #: 222 total cpu time spent up to now is 1861.0 secs Computing kpt #: 223 total cpu time spent up to now is 1870.4 secs Computing kpt #: 224 total cpu time spent up to now is 1881.4 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1894.1 secs Computing kpt #: 226 total cpu time spent up to now is 1905.3 secs Computing kpt #: 227 total cpu time spent up to now is 1917.8 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1930.1 secs Computing kpt #: 229 total cpu time spent up to now is 1938.2 secs Computing kpt #: 230 total cpu time spent up to now is 1946.5 secs Computing kpt #: 231 total cpu time spent up to now is 1954.8 secs Computing kpt #: 232 total cpu time spent up to now is 1963.0 secs Computing kpt #: 233 total cpu time spent up to now is 1971.3 secs Computing kpt #: 234 total cpu time spent up to now is 1979.5 secs Computing kpt #: 235 total cpu time spent up to now is 1987.1 secs Computing kpt #: 236 total cpu time spent up to now is 1995.5 secs Computing kpt #: 237 total cpu time spent up to now is 2003.1 secs Computing kpt #: 238 total cpu time spent up to now is 2011.2 secs Computing kpt #: 239 total cpu time spent up to now is 2019.3 secs Computing kpt #: 240 total cpu time spent up to now is 2027.5 secs Computing kpt #: 241 total cpu time spent up to now is 2036.0 secs Computing kpt #: 242 total cpu time spent up to now is 2044.5 secs Computing kpt #: 243 total cpu time spent up to now is 2053.0 secs Computing kpt #: 244 total cpu time spent up to now is 2061.7 secs Computing kpt #: 245 total cpu time spent up to now is 2070.5 secs Computing kpt #: 246 total cpu time spent up to now is 2080.0 secs Computing kpt #: 247 total cpu time spent up to now is 2089.9 secs Computing kpt #: 248 total cpu time spent up to now is 2100.3 secs Computing kpt #: 249 total cpu time spent up to now is 2111.1 secs Computing kpt #: 250 total cpu time spent up to now is 2122.9 secs Computing kpt #: 251 total cpu time spent up to now is 2134.6 secs Computing kpt #: 252 total cpu time spent up to now is 2148.5 secs Computing kpt #: 253 total cpu time spent up to now is 2159.4 secs Computing kpt #: 254 total cpu time spent up to now is 2170.3 secs ethr = 1.61E-11, avg # of iterations = 49.4 total cpu time spent up to now is 2170.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11633 PWs) bands (ev): -8.4688 -8.4688 -7.9585 -7.9585 -7.9560 -7.9560 -7.9541 -7.9541 -3.2868 -3.2868 -3.2261 -3.2261 -1.7007 -1.7007 -1.5995 -1.5995 -1.5539 -1.5539 -1.0136 -1.0136 0.2786 0.2786 0.4363 0.4363 0.5656 0.5656 0.6144 0.6144 0.7129 0.7129 0.7774 0.7774 0.8528 0.8528 1.1768 1.1768 1.4576 1.4576 1.4899 1.4899 1.7814 1.7814 1.8149 1.8149 2.0192 2.0192 2.1242 2.1242 2.2577 2.2577 2.4206 2.4206 2.8726 2.8726 2.8862 2.8862 3.5300 3.5300 4.2325 4.2325 4.2735 4.2735 5.1429 5.1429 6.9151 6.9151 7.7271 7.7271 7.8291 7.8291 7.9938 7.9938 8.0429 8.0429 k = 0.0000 0.0200-0.0000 ( 11589 PWs) bands (ev): -8.4683 -8.4682 -7.9587 -7.9585 -7.9564 -7.9561 -7.9544 -7.9541 -3.2869 -3.2866 -3.2263 -3.2260 -1.7024 -1.6990 -1.6016 -1.5976 -1.5553 -1.5524 -1.0144 -1.0108 0.2782 0.2784 0.4353 0.4374 0.5627 0.5685 0.6099 0.6191 0.7101 0.7161 0.7766 0.7798 0.8475 0.8584 1.1767 1.1773 1.4535 1.4599 1.4885 1.4900 1.7772 1.7850 1.8129 1.8150 2.0117 2.0270 2.1218 2.1267 2.2539 2.2612 2.4206 2.4217 2.8715 2.8740 2.8858 2.8870 3.5217 3.5349 4.2279 4.2312 4.2685 4.2690 5.1503 5.1515 6.9133 6.9243 7.7249 7.7335 7.8219 7.8408 7.9949 7.9972 8.0428 8.0497 k = 0.0000 0.0400-0.0000 ( 11593 PWs) bands (ev): -8.4670 -8.4668 -7.9594 -7.9590 -7.9572 -7.9569 -7.9546 -7.9544 -3.2870 -3.2864 -3.2266 -3.2260 -1.7039 -1.6972 -1.6040 -1.5960 -1.5564 -1.5508 -1.0131 -1.0060 0.2772 0.2777 0.4342 0.4382 0.5597 0.5711 0.6059 0.6237 0.7077 0.7189 0.7774 0.7835 0.8424 0.8642 1.1767 1.1781 1.4467 1.4601 1.4862 1.4884 1.7721 1.7880 1.8091 1.8127 2.0045 2.0347 2.1198 2.1290 2.2495 2.2649 2.4217 2.4238 2.8701 2.8757 2.8859 2.8886 3.5103 3.5364 4.2185 4.2199 4.2544 4.2585 5.1731 5.1757 6.9187 6.9407 7.7268 7.7440 7.8194 7.8564 8.0013 8.0047 8.0492 8.0634 k = 0.0000 0.0600-0.0000 ( 11596 PWs) bands (ev): -8.4647 -8.4644 -7.9612 -7.9608 -7.9580 -7.9579 -7.9545 -7.9544 -3.2871 -3.2861 -3.2270 -3.2261 -1.7054 -1.6954 -1.6067 -1.5946 -1.5572 -1.5493 -1.0098 -0.9993 0.2756 0.2764 0.4331 0.4388 0.5565 0.5733 0.6028 0.6284 0.7058 0.7210 0.7801 0.7883 0.8377 0.8702 1.1769 1.1792 1.4370 1.4579 1.4838 1.4854 1.7658 1.7905 1.8039 1.8081 1.9980 2.0420 2.1185 2.1304 2.2442 2.2691 2.4240 2.4270 2.8679 2.8764 2.8880 2.8915 3.4958 3.5342 4.1948 4.2027 4.2331 4.2494 5.2092 5.2136 6.9312 6.9643 7.7327 7.7585 7.8219 7.8752 8.0134 8.0160 8.0622 8.0842 k = 0.0000 0.0800-0.0000 ( 11604 PWs) bands (ev): -8.4615 -8.4611 -7.9647 -7.9642 -7.9586 -7.9582 -7.9544 -7.9542 -3.2871 -3.2858 -3.2275 -3.2264 -1.7067 -1.6936 -1.6096 -1.5934 -1.5577 -1.5478 -1.0045 -0.9909 0.2737 0.2746 0.4318 0.4390 0.5531 0.5747 0.6013 0.6333 0.7045 0.7223 0.7844 0.7940 0.8334 0.8763 1.1774 1.1807 1.4242 1.4522 1.4816 1.4822 1.7577 1.7927 1.7982 1.8014 1.9921 2.0485 2.1180 2.1307 2.2380 2.2739 2.4276 2.4316 2.8648 2.8751 2.8934 2.8962 3.4784 3.5282 4.1586 4.1769 4.2111 4.2407 5.2562 5.2628 6.9505 6.9947 7.7425 7.7768 7.8296 7.8963 8.0309 8.0319 8.0819 8.1122 k = 0.0000 0.1000-0.0000 ( 11588 PWs) bands (ev): -8.4574 -8.4569 -7.9695 -7.9689 -7.9591 -7.9586 -7.9542 -7.9538 -3.2870 -3.2855 -3.2280 -3.2267 -1.7079 -1.6918 -1.6126 -1.5923 -1.5579 -1.5465 -0.9971 -0.9808 0.2713 0.2724 0.4305 0.4389 0.5496 0.5751 0.6019 0.6387 0.7036 0.7226 0.7903 0.8003 0.8296 0.8825 1.1782 1.1829 1.4086 1.4421 1.4798 1.4800 1.7472 1.7921 1.7928 1.7952 1.9870 2.0538 2.1184 2.1294 2.2307 2.2793 2.4328 2.4379 2.8609 2.8726 2.9018 2.9027 3.4581 3.5183 4.1155 4.1410 4.1910 4.2306 5.3120 5.3210 6.9761 7.0314 7.7560 7.7982 7.8427 7.9188 8.0497 8.0577 8.1084 8.1473 k = 0.0000 0.1200-0.0000 ( 11592 PWs) bands (ev): -8.4524 -8.4518 -7.9753 -7.9746 -7.9594 -7.9589 -7.9539 -7.9535 -3.2870 -3.2851 -3.2286 -3.2272 -1.7090 -1.6902 -1.6156 -1.5914 -1.5578 -1.5453 -0.9880 -0.9693 0.2687 0.2699 0.4290 0.4382 0.5460 0.5745 0.6044 0.6447 0.7031 0.7222 0.7969 0.8069 0.8264 0.8885 1.1793 1.1856 1.3906 1.4274 1.4780 1.4785 1.7338 1.7815 1.7884 1.7970 1.9825 2.0574 2.1197 2.1265 2.2226 2.2846 2.4397 2.4466 2.8564 2.8693 2.9111 2.9129 3.4351 3.5044 4.0680 4.0994 4.1703 4.2181 5.3745 5.3861 7.0074 7.0739 7.7730 7.8218 7.8618 7.9416 8.0726 8.0911 8.1419 8.1892 k = 0.0000 0.1400-0.0000 ( 11576 PWs) bands (ev): -8.4466 -8.4459 -7.9822 -7.9813 -7.9597 -7.9592 -7.9536 -7.9532 -3.2869 -3.2846 -3.2292 -3.2277 -1.7100 -1.6887 -1.6184 -1.5905 -1.5573 -1.5443 -0.9771 -0.9564 0.2659 0.2672 0.4272 0.4369 0.5423 0.5738 0.6085 0.6516 0.7028 0.7212 0.8036 0.8136 0.8244 0.8943 1.1805 1.1890 1.3709 1.4090 1.4767 1.4774 1.7176 1.7689 1.7853 1.7992 1.9788 2.0590 2.1217 2.1219 2.2139 2.2892 2.4486 2.4584 2.8516 2.8656 2.9214 2.9267 3.4096 3.4863 4.0179 4.0548 4.1479 4.2030 5.4421 5.4564 7.0439 7.1216 7.7933 7.8466 7.8874 7.9645 8.1000 8.1323 8.1822 8.2379 k = 0.0000 0.1600-0.0000 ( 11568 PWs) bands (ev): -8.4398 -8.4390 -7.9901 -7.9891 -7.9600 -7.9595 -7.9533 -7.9528 -3.2868 -3.2842 -3.2299 -3.2284 -1.7108 -1.6876 -1.6208 -1.5898 -1.5566 -1.5434 -0.9646 -0.9424 0.2631 0.2643 0.4251 0.4349 0.5389 0.5733 0.6136 0.6594 0.7026 0.7197 0.8084 0.8200 0.8252 0.8998 1.1814 1.1930 1.3507 1.3875 1.4755 1.4764 1.6990 1.7547 1.7833 1.8015 1.9757 2.0584 2.1158 2.1240 2.2049 2.2920 2.4596 2.4737 2.8467 2.8618 2.9337 2.9432 3.3817 3.4643 3.9664 4.0088 4.1233 4.1852 5.5136 5.5306 7.0848 7.1736 7.8168 7.8722 7.9190 7.9876 8.1324 8.1810 8.2293 8.2929 k = 0.0000 0.1800-0.0000 ( 11564 PWs) bands (ev): -8.4323 -8.4314 -7.9989 -7.9977 -7.9603 -7.9598 -7.9530 -7.9525 -3.2866 -3.2837 -3.2305 -3.2291 -1.7116 -1.6868 -1.6228 -1.5891 -1.5556 -1.5427 -0.9507 -0.9273 0.2603 0.2615 0.4226 0.4321 0.5357 0.5733 0.6194 0.6682 0.7024 0.7179 0.8095 0.8258 0.8304 0.9048 1.1811 1.1975 1.3312 1.3635 1.4741 1.4755 1.6782 1.7392 1.7824 1.8041 1.9731 2.0555 2.1087 2.1261 2.1963 2.2925 2.4729 2.4931 2.8421 2.8582 2.9482 2.9624 3.3517 3.4385 3.9144 3.9624 4.0965 4.1646 5.5879 5.6076 7.1294 7.2290 7.8432 7.8985 7.9558 8.0112 8.1702 8.2366 8.2830 8.3541 k = 0.0000 0.2000-0.0000 ( 11560 PWs) bands (ev): -8.4239 -8.4229 -8.0086 -8.0073 -7.9606 -7.9600 -7.9526 -7.9522 -3.2865 -3.2832 -3.2312 -3.2299 -1.7123 -1.6864 -1.6242 -1.5886 -1.5545 -1.5420 -0.9356 -0.9115 0.2577 0.2588 0.4195 0.4285 0.5330 0.5738 0.6256 0.6780 0.7023 0.7161 0.8084 0.8309 0.8383 0.9092 1.1781 1.2023 1.3148 1.3377 1.4724 1.4746 1.6556 1.7227 1.7824 1.8069 1.9712 2.0504 2.1007 2.1273 2.1884 2.2903 2.4888 2.5166 2.8378 2.8549 2.9647 2.9842 3.3199 3.4091 3.8622 3.9161 4.0675 4.1412 5.6642 5.6865 7.1767 7.2866 7.8722 7.9259 7.9965 8.0357 8.2138 8.2986 8.3431 8.4212 k = 0.0000 0.2200-0.0000 ( 11552 PWs) bands (ev): -8.4147 -8.4136 -8.0191 -8.0177 -7.9609 -7.9603 -7.9523 -7.9518 -3.2863 -3.2828 -3.2319 -3.2307 -1.7128 -1.6866 -1.6250 -1.5882 -1.5533 -1.5413 -0.9195 -0.8950 0.2553 0.2563 0.4159 0.4243 0.5309 0.5748 0.6321 0.6886 0.7023 0.7143 0.8068 0.8349 0.8472 0.9131 1.1702 1.2069 1.3038 1.3111 1.4704 1.4738 1.6317 1.7054 1.7833 1.8097 1.9699 2.0432 2.0923 2.1273 2.1817 2.2854 2.5072 2.5438 2.8341 2.8521 2.9834 3.0086 3.2867 3.3767 3.8103 3.8700 4.0364 4.1152 5.7417 5.7663 7.2259 7.3454 7.9036 7.9541 8.0403 8.0612 8.2636 8.3664 8.4091 8.4938 k = 0.0000 0.2400-0.0000 ( 11556 PWs) bands (ev): -8.4048 -8.4036 -8.0304 -8.0288 -7.9611 -7.9606 -7.9520 -7.9515 -3.2861 -3.2823 -3.2325 -3.2316 -1.7133 -1.6872 -1.6251 -1.5880 -1.5519 -1.5407 -0.9026 -0.8782 0.2533 0.2541 0.4116 0.4194 0.5295 0.5762 0.6387 0.6984 0.7039 0.7129 0.8051 0.8377 0.8564 0.9162 1.1566 1.2102 1.2850 1.2998 1.4679 1.4728 1.6067 1.6877 1.7849 1.8124 1.9693 2.0341 2.0837 2.1259 2.1764 2.2782 2.5282 2.5742 2.8311 2.8501 3.0040 3.0354 3.2526 3.3418 3.7588 3.8244 4.0033 4.0867 5.8197 5.8464 7.2759 7.4040 7.9373 7.9829 8.0865 8.0881 8.3197 8.4394 8.4809 8.5716 k = 0.0000 0.2600-0.0000 ( 11576 PWs) bands (ev): -8.3941 -8.3929 -8.0424 -8.0408 -7.9613 -7.9608 -7.9517 -7.9513 -3.2859 -3.2819 -3.2331 -3.2324 -1.7136 -1.6883 -1.6246 -1.5879 -1.5504 -1.5400 -0.8852 -0.8612 0.2518 0.2524 0.4066 0.4138 0.5288 0.5776 0.6452 0.7006 0.7118 0.7140 0.8036 0.8393 0.8657 0.9185 1.1378 1.2098 1.2623 1.3024 1.4650 1.4717 1.5810 1.6698 1.7872 1.8148 1.9697 2.0235 2.0751 2.1232 2.1724 2.2691 2.5515 2.6073 2.8292 2.8491 3.0263 3.0644 3.2183 3.3051 3.7080 3.7790 3.9684 4.0556 5.8975 5.9261 7.3259 7.4608 7.9731 8.0123 8.1164 8.1342 8.3820 8.5171 8.5579 8.6540 k = 0.0000 0.2800-0.0000 ( 11588 PWs) bands (ev): -8.3828 -8.3815 -8.0550 -8.0534 -7.9615 -7.9611 -7.9514 -7.9510 -3.2856 -3.2815 -3.2337 -3.2333 -1.7138 -1.6897 -1.6235 -1.5880 -1.5489 -1.5394 -0.8676 -0.8443 0.2508 0.2512 0.4011 0.4076 0.5288 0.5791 0.6514 0.7005 0.7115 0.7269 0.8025 0.8398 0.8748 0.9200 1.1160 1.2000 1.2490 1.3100 1.4617 1.4704 1.5549 1.6521 1.7902 1.8165 1.9710 2.0119 2.0670 2.1194 2.1695 2.2584 2.5769 2.6425 2.8285 2.8493 3.0494 3.0952 3.1851 3.2676 3.6578 3.7338 3.9318 4.0223 5.9745 6.0045 7.3748 7.5142 8.0109 8.0420 8.1460 8.1827 8.4502 8.5986 8.6399 8.7406 k = 0.0000 0.3000-0.0000 ( 11588 PWs) bands (ev): -8.3708 -8.3694 -8.0683 -8.0666 -7.9617 -7.9613 -7.9511 -7.9507 -3.2854 -3.2812 -3.2343 -3.2341 -1.7139 -1.6913 -1.6220 -1.5883 -1.5474 -1.5387 -0.8500 -0.8277 0.2505 0.2505 0.3949 0.4010 0.5297 0.5804 0.6572 0.7003 0.7121 0.7404 0.8019 0.8392 0.8836 0.9202 1.0934 1.1804 1.2459 1.3209 1.4583 1.4688 1.5288 1.6349 1.7935 1.8176 1.9734 1.9999 2.0594 2.1150 2.1673 2.2467 2.6040 2.6789 2.8295 2.8511 3.0700 3.1265 3.1567 3.2310 3.6084 3.6887 3.8937 3.9868 6.0499 6.0808 7.4216 7.5628 8.0505 8.0719 8.1768 8.2313 8.5238 8.6832 8.7263 8.8307 k = 0.0000 0.3200-0.0000 ( 11576 PWs) bands (ev): -8.3583 -8.3568 -8.0821 -8.0803 -7.9619 -7.9615 -7.9509 -7.9505 -3.2851 -3.2809 -3.2349 -3.2349 -1.7139 -1.6932 -1.6201 -1.5888 -1.5458 -1.5381 -0.8326 -0.8116 0.2505 0.2507 0.3883 0.3940 0.5313 0.5813 0.6623 0.6999 0.7138 0.7540 0.8019 0.8377 0.8917 0.9188 1.0719 1.1575 1.2469 1.3337 1.4548 1.4666 1.5037 1.6183 1.7972 1.8179 1.9767 1.9881 2.0528 2.1101 2.1655 2.2343 2.6322 2.7154 2.8330 2.8548 3.0760 3.1455 3.1510 3.2031 3.5598 3.6436 3.8543 3.9495 6.1231 6.1544 7.4655 7.6052 8.0918 8.1021 8.2082 8.2788 8.6020 8.7695 8.8166 8.9233 k = 0.0000 0.3400-0.0000 ( 11576 PWs) bands (ev): -8.3452 -8.3436 -8.0964 -8.0945 -7.9621 -7.9617 -7.9506 -7.9503 -3.2848 -3.2807 -3.2356 -3.2354 -1.7138 -1.6951 -1.6180 -1.5894 -1.5443 -1.5375 -0.8159 -0.7964 0.2512 0.2516 0.3812 0.3865 0.5334 0.5817 0.6668 0.6994 0.7165 0.7674 0.8025 0.8356 0.8988 0.9150 1.0532 1.1350 1.2487 1.3471 1.4515 1.4619 1.4817 1.6024 1.8010 1.8174 1.9772 1.9803 2.0476 2.1050 2.1641 2.2216 2.6607 2.7498 2.8407 2.8609 3.0578 3.1383 3.1614 3.2147 3.5123 3.5984 3.8138 3.9104 6.1931 6.2242 7.5058 7.6403 8.1324 8.1345 8.2395 8.3240 8.6842 8.8561 8.9102 9.0172 k = 0.0000 0.3600-0.0000 ( 11592 PWs) bands (ev): -8.3316 -8.3300 -8.1111 -8.1092 -7.9622 -7.9619 -7.9504 -7.9501 -3.2845 -3.2806 -3.2362 -3.2359 -1.7136 -1.6971 -1.6158 -1.5903 -1.5429 -1.5369 -0.8000 -0.7824 0.2525 0.2532 0.3739 0.3789 0.5362 0.5815 0.6706 0.6987 0.7202 0.7797 0.8038 0.8337 0.9044 0.9085 1.0385 1.1144 1.2503 1.3595 1.4487 1.4489 1.4702 1.5871 1.8046 1.8164 1.9675 1.9833 2.0442 2.0998 2.1628 2.2092 2.6887 2.7782 2.8560 2.8700 3.0307 3.1058 3.1893 3.2488 3.4662 3.5532 3.7724 3.8697 6.2591 6.2893 7.5418 7.6676 8.1628 8.1780 8.2698 8.3654 8.7691 8.9410 9.0058 9.1108 k = 0.0000 0.3800-0.0000 ( 11576 PWs) bands (ev): -8.3176 -8.3159 -8.1261 -8.1241 -7.9623 -7.9620 -7.9502 -7.9500 -3.2841 -3.2805 -3.2368 -3.2363 -1.7132 -1.6990 -1.6135 -1.5912 -1.5415 -1.5364 -0.7852 -0.7697 0.2545 0.2554 0.3664 0.3711 0.5394 0.5807 0.6740 0.6979 0.7249 0.7895 0.8059 0.8333 0.8992 0.9080 1.0287 1.0966 1.2517 1.3676 1.4339 1.4466 1.4661 1.5725 1.8077 1.8150 1.9597 1.9847 2.0436 2.0949 2.1616 2.1975 2.7152 2.7975 2.8811 2.8826 3.0035 3.0723 3.2209 3.2868 3.4224 3.5086 3.7304 3.8278 6.3201 6.3485 7.5734 7.6872 8.1931 8.2214 8.2978 8.4015 8.8555 9.0214 9.1014 9.1998 k = 0.0000 0.4000-0.0000 ( 11548 PWs) bands (ev): -8.3032 -8.3015 -8.1412 -8.1393 -7.9624 -7.9622 -7.9500 -7.9498 -3.2838 -3.2806 -3.2372 -3.2367 -1.7127 -1.7008 -1.6111 -1.5924 -1.5403 -1.5360 -0.7719 -0.7586 0.2570 0.2581 0.3591 0.3633 0.5432 0.5792 0.6770 0.6969 0.7303 0.7946 0.8088 0.8363 0.8879 0.9092 1.0236 1.0819 1.2533 1.3651 1.4289 1.4454 1.4633 1.5585 1.8102 1.8136 1.9542 1.9838 2.0457 2.0902 2.1605 2.1867 2.7391 2.8098 2.8990 2.9110 2.9807 3.0410 3.2524 3.3250 3.3831 3.4659 3.6879 3.7848 6.3750 6.4009 7.6005 7.6994 8.2229 8.2635 8.3225 8.4307 8.9416 9.0932 9.1914 9.2531 k = 0.0000 0.4200-0.0000 ( 11564 PWs) bands (ev): -8.2886 -8.2869 -8.1565 -8.1546 -7.9625 -7.9623 -7.9499 -7.9497 -3.2834 -3.2807 -3.2376 -3.2371 -1.7121 -1.7026 -1.6088 -1.5937 -1.5391 -1.5357 -0.7604 -0.7495 0.2600 0.2612 0.3522 0.3559 0.5471 0.5771 0.6797 0.6957 0.7364 0.7941 0.8124 0.8433 0.8756 0.9078 1.0222 1.0700 1.2555 1.3518 1.4354 1.4451 1.4608 1.5447 1.8118 1.8124 1.9511 1.9808 2.0500 2.0859 2.1593 2.1773 2.7601 2.8186 2.9176 2.9283 2.9757 3.0144 3.2759 3.3564 3.3564 3.4315 3.6452 3.7409 6.4229 6.4451 7.6234 7.7053 8.2516 8.3023 8.3433 8.4514 9.0253 9.1493 9.2376 9.2504 k = 0.0000 0.4400-0.0000 ( 11564 PWs) bands (ev): -8.2740 -8.2723 -8.1716 -8.1697 -7.9625 -7.9624 -7.9498 -7.9497 -3.2830 -3.2809 -3.2378 -3.2374 -1.7114 -1.7042 -1.6065 -1.5951 -1.5381 -1.5355 -0.7508 -0.7425 0.2631 0.2642 0.3460 0.3491 0.5512 0.5745 0.6822 0.6943 0.7432 0.7896 0.8168 0.8525 0.8639 0.9040 1.0239 1.0605 1.2593 1.3342 1.4456 1.4473 1.4583 1.5310 1.8115 1.8125 1.9505 1.9763 2.0555 2.0820 2.1582 2.1696 2.7784 2.8254 2.9196 2.9326 2.9978 2.9991 3.2734 3.3523 3.3623 3.4347 3.6028 3.6964 6.4624 6.4802 7.6428 7.7057 8.2785 8.3324 8.3636 8.4627 9.1036 9.1797 9.2185 9.2698 k = 0.0000 0.4600-0.0000 ( 11568 PWs) bands (ev): -8.2598 -8.2582 -8.1861 -8.1844 -7.9625 -7.9624 -7.9497 -7.9496 -3.2826 -3.2812 -3.2379 -3.2376 -1.7105 -1.7057 -1.6043 -1.5967 -1.5373 -1.5355 -0.7433 -0.7377 0.2660 0.2669 0.3412 0.3434 0.5555 0.5713 0.6845 0.6926 0.7506 0.7830 0.8220 0.8522 0.8634 0.8982 1.0276 1.0525 1.2653 1.3163 1.4468 1.4555 1.4613 1.5173 1.8110 1.8125 1.9520 1.9710 2.0611 2.0784 2.1574 2.1638 2.7944 2.8293 2.9082 2.9320 3.0018 3.0246 3.2564 3.3192 3.3928 3.4687 3.5619 3.6517 6.4927 6.5050 7.6592 7.7019 8.3025 8.3458 8.3899 8.4643 9.1708 9.1874 9.2069 9.2857 k = 0.0000 0.4800-0.0000 ( 11580 PWs) bands (ev): -8.2472 -8.2460 -8.1985 -8.1972 -7.9625 -7.9625 -7.9496 -7.9496 -3.2822 -3.2815 -3.2380 -3.2378 -1.7095 -1.7071 -1.6022 -1.5984 -1.5366 -1.5357 -0.7382 -0.7354 0.2682 0.2687 0.3382 0.3394 0.5597 0.5677 0.6867 0.6908 0.7585 0.7751 0.8279 0.8429 0.8731 0.8908 1.0327 1.0453 1.2740 1.2998 1.4486 1.4531 1.4753 1.5035 1.8111 1.8120 1.9554 1.9653 2.0662 2.0747 2.1571 2.1599 2.8085 2.8280 2.9040 2.9203 3.0196 3.0384 3.2488 3.2851 3.4301 3.4955 3.5350 3.6072 6.5126 6.5189 7.6732 7.6947 8.3226 8.3459 8.4173 8.4564 9.1877 9.1910 9.2345 9.2890 k = 0.0000 0.5000-0.0000 ( 11524 PWs) bands (ev): -8.2406 -8.2406 -8.2039 -8.2039 -7.9625 -7.9625 -7.9496 -7.9496 -3.2818 -3.2818 -3.2379 -3.2379 -1.7084 -1.7084 -1.6002 -1.6002 -1.5360 -1.5360 -0.7356 -0.7356 0.2692 0.2692 0.3376 0.3376 0.5639 0.5639 0.6889 0.6889 0.7668 0.7668 0.8349 0.8349 0.8824 0.8824 1.0388 1.0388 1.2856 1.2856 1.4508 1.4508 1.4896 1.4896 1.8115 1.8115 1.9600 1.9600 2.0708 2.0708 2.1578 2.1578 2.8204 2.8204 2.9090 2.9090 3.0354 3.0354 3.2592 3.2592 3.4687 3.4687 3.5643 3.5643 6.5215 6.5215 7.6850 7.6850 8.3375 8.3375 8.4403 8.4403 9.1883 9.1883 9.2718 9.2718 k = 0.0000 0.5000-0.0000 ( 11524 PWs) bands (ev): -8.2406 -8.2406 -8.2039 -8.2039 -7.9625 -7.9625 -7.9496 -7.9496 -3.2818 -3.2818 -3.2379 -3.2379 -1.7084 -1.7084 -1.6002 -1.6002 -1.5360 -1.5360 -0.7356 -0.7356 0.2692 0.2692 0.3376 0.3376 0.5639 0.5639 0.6889 0.6889 0.7668 0.7668 0.8349 0.8349 0.8824 0.8824 1.0388 1.0388 1.2856 1.2856 1.4508 1.4508 1.4896 1.4896 1.8115 1.8115 1.9600 1.9600 2.0708 2.0708 2.1578 2.1578 2.8204 2.8204 2.9090 2.9090 3.0354 3.0354 3.2592 3.2592 3.4687 3.4687 3.5643 3.5643 6.5215 6.5215 7.6850 7.6850 8.3375 8.3375 8.4403 8.4403 9.1883 9.1883 9.2718 9.2718 k = 0.0200 0.5000-0.0000 ( 11576 PWs) bands (ev): -8.2405 -8.2402 -8.2038 -8.2037 -7.9628 -7.9627 -7.9500 -7.9497 -3.2819 -3.2818 -3.2387 -3.2371 -1.7101 -1.7067 -1.6011 -1.5994 -1.5366 -1.5354 -0.7361 -0.7347 0.2672 0.2712 0.3333 0.3419 0.5622 0.5651 0.6879 0.6889 0.7621 0.7701 0.8317 0.8347 0.8822 0.8864 1.0286 1.0485 1.2837 1.2864 1.4489 1.4502 1.4885 1.4891 1.7986 1.8238 1.9514 1.9692 2.0686 2.0749 2.1571 2.1624 2.8067 2.8326 2.9036 2.9158 3.0342 3.0373 3.2512 3.2642 3.4701 3.4708 3.5633 3.5643 6.5129 6.5297 7.6807 7.6930 8.3401 8.3404 8.4390 8.4425 9.1749 9.1997 9.2613 9.2903 k = 0.0400 0.5000-0.0000 ( 11576 PWs) bands (ev): -8.2399 -8.2393 -8.2032 -8.2031 -7.9634 -7.9632 -7.9509 -7.9504 -3.2820 -3.2818 -3.2395 -3.2363 -1.7118 -1.7051 -1.6018 -1.5985 -1.5370 -1.5347 -0.7361 -0.7334 0.2653 0.2732 0.3292 0.3464 0.5602 0.5660 0.6863 0.6878 0.7561 0.7715 0.8268 0.8314 0.8852 0.8938 1.0182 1.0578 1.2810 1.2865 1.4450 1.4472 1.4860 1.4882 1.7863 1.8338 1.9453 1.9777 2.0683 2.0810 2.1603 2.1712 2.7922 2.8424 2.9004 2.9235 3.0325 3.0415 3.2403 3.2664 3.4750 3.4762 3.5618 3.5631 6.5041 6.5374 7.6802 7.7044 8.3475 8.3484 8.4392 8.4458 9.1632 9.2016 9.2662 9.3127 k = 0.0600 0.5000-0.0000 ( 11582 PWs) bands (ev): -8.2388 -8.2379 -8.2023 -8.2020 -7.9643 -7.9642 -7.9524 -7.9516 -3.2821 -3.2818 -3.2402 -3.2354 -1.7136 -1.7036 -1.6026 -1.5975 -1.5374 -1.5339 -0.7358 -0.7318 0.2636 0.2750 0.3253 0.3509 0.5579 0.5665 0.6845 0.6853 0.7492 0.7706 0.8218 0.8256 0.8901 0.9031 1.0077 1.0669 1.2774 1.2859 1.4390 1.4419 1.4820 1.4872 1.7750 1.8389 1.9439 1.9845 2.0693 2.0889 2.1675 2.1842 2.7774 2.8481 2.8999 2.9325 3.0292 3.0490 3.2268 3.2658 3.4830 3.4842 3.5606 3.5608 6.4951 6.5446 7.6836 7.7188 8.3581 8.3597 8.4428 8.4514 9.1547 9.1949 9.2860 9.3376 k = 0.0800 0.5000-0.0000 ( 11574 PWs) bands (ev): -8.2371 -8.2360 -8.2009 -8.2006 -7.9657 -7.9655 -7.9543 -7.9533 -3.2822 -3.2818 -3.2409 -3.2346 -1.7152 -1.7022 -1.6032 -1.5966 -1.5376 -1.5331 -0.7351 -0.7298 0.2620 0.2766 0.3215 0.3555 0.5552 0.5666 0.6811 0.6826 0.7414 0.7672 0.8181 0.8184 0.8962 0.9133 0.9975 1.0758 1.2729 1.2846 1.4308 1.4349 1.4770 1.4864 1.7648 1.8372 1.9484 1.9892 2.0710 2.0985 2.1790 2.2009 2.7628 2.8482 2.9027 2.9441 3.0239 3.0596 3.2111 3.2622 3.4936 3.4942 3.5578 3.5606 6.4860 6.5510 7.6909 7.7356 8.3685 8.3699 8.4539 8.4619 9.1501 9.1865 9.3138 9.3636 k = 0.1000 0.5000-0.0000 ( 11580 PWs) bands (ev): -8.2350 -8.2336 -8.1992 -8.1988 -7.9674 -7.9671 -7.9568 -7.9555 -3.2824 -3.2819 -3.2415 -3.2338 -1.7168 -1.7010 -1.6038 -1.5955 -1.5378 -1.5322 -0.7340 -0.7276 0.2607 0.2779 0.3179 0.3600 0.5519 0.5661 0.6751 0.6810 0.7327 0.7615 0.8101 0.8159 0.9031 0.9230 0.9884 1.0849 1.2677 1.2828 1.4205 1.4271 1.4715 1.4859 1.7555 1.8290 1.9581 1.9920 2.0729 2.1093 2.1950 2.2206 2.7485 2.8424 2.9093 2.9589 3.0162 3.0721 3.1940 3.2555 3.5057 3.5061 3.5547 3.5625 6.4768 6.5565 7.7016 7.7544 8.3742 8.3746 8.4774 8.4808 9.1497 9.1798 9.3463 9.3891 k = 0.1200 0.5000-0.0000 ( 11588 PWs) bands (ev): -8.2324 -8.2308 -8.1970 -8.1966 -7.9695 -7.9692 -7.9597 -7.9582 -3.2826 -3.2820 -3.2420 -3.2330 -1.7183 -1.7000 -1.6042 -1.5945 -1.5379 -1.5313 -0.7326 -0.7250 0.2596 0.2789 0.3144 0.3645 0.5481 0.5647 0.6673 0.6799 0.7233 0.7544 0.8011 0.8149 0.9107 0.9307 0.9816 1.0945 1.2623 1.2803 1.4082 1.4191 1.4658 1.4855 1.7468 1.8159 1.9707 1.9936 2.0745 2.1206 2.2152 2.2425 2.7348 2.8318 2.9200 2.9761 3.0062 3.0845 3.1770 3.2453 3.5181 3.5194 3.5526 3.5674 6.4677 6.5611 7.7156 7.7747 8.3715 8.3744 8.5096 8.5138 9.1537 9.1762 9.3817 9.4111 k = 0.1400 0.5000-0.0000 ( 11586 PWs) bands (ev): -8.2293 -8.2274 -8.1946 -8.1940 -7.9719 -7.9716 -7.9631 -7.9615 -3.2828 -3.2821 -3.2423 -3.2323 -1.7197 -1.6991 -1.6045 -1.5934 -1.5379 -1.5303 -0.7307 -0.7222 0.2589 0.2795 0.3112 0.3688 0.5435 0.5623 0.6581 0.6792 0.7133 0.7466 0.7920 0.8147 0.9188 0.9335 0.9796 1.1047 1.2570 1.2774 1.3943 1.4118 1.4602 1.4852 1.7383 1.7995 1.9844 1.9949 2.0762 2.1315 2.2388 2.2655 2.7219 2.8180 2.9348 2.9938 2.9944 3.0929 3.1640 3.2315 3.5307 3.5311 3.5548 3.5753 6.4586 6.5644 7.7322 7.7959 8.3634 8.3682 8.5473 8.5611 9.1622 9.1762 9.4174 9.4259 k = 0.1600 0.5000-0.0000 ( 11584 PWs) bands (ev): -8.2258 -8.2237 -8.1918 -8.1912 -7.9746 -7.9744 -7.9670 -7.9651 -3.2830 -3.2823 -3.2426 -3.2317 -1.7209 -1.6985 -1.6047 -1.5923 -1.5378 -1.5294 -0.7286 -0.7192 0.2584 0.2797 0.3081 0.3728 0.5381 0.5584 0.6479 0.6790 0.7030 0.7387 0.7830 0.8149 0.9272 0.9302 0.9837 1.1157 1.2525 1.2741 1.3792 1.4053 1.4548 1.4850 1.7296 1.7808 1.9967 1.9977 2.0785 2.1411 2.2647 2.2889 2.7101 2.8026 2.9516 2.9829 3.0094 3.0904 3.1627 3.2142 3.5365 3.5445 3.5650 3.5864 6.4497 6.5665 7.7510 7.8175 8.3514 8.3573 8.5922 8.6174 9.1752 9.1801 9.4330 9.4470 k = 0.1800 0.5000-0.0000 ( 11582 PWs) bands (ev): -8.2219 -8.2195 -8.1886 -8.1879 -7.9776 -7.9775 -7.9711 -7.9693 -3.2832 -3.2825 -3.2428 -3.2311 -1.7221 -1.6982 -1.6047 -1.5911 -1.5377 -1.5285 -0.7261 -0.7161 0.2583 0.2794 0.3054 0.3765 0.5319 0.5525 0.6378 0.6784 0.6933 0.7308 0.7746 0.8153 0.9228 0.9358 0.9917 1.1275 1.2492 1.2705 1.3633 1.3999 1.4494 1.4848 1.7206 1.7603 1.9999 2.0095 2.0822 2.1485 2.2917 2.3122 2.6995 2.7867 2.9541 2.9883 3.0200 3.0762 3.1756 3.1942 3.5395 3.5582 3.5807 3.6001 6.4410 6.5671 7.7713 7.8389 8.3364 8.3427 8.6427 8.6813 9.1879 9.1926 9.4354 9.4619 k = 0.2000 0.5000-0.0000 ( 11596 PWs) bands (ev): -8.2175 -8.2149 -8.1852 -8.1845 -7.9811 -7.9810 -7.9756 -7.9738 -3.2835 -3.2828 -3.2428 -3.2306 -1.7230 -1.6981 -1.6046 -1.5899 -1.5375 -1.5276 -0.7234 -0.7128 0.2584 0.2786 0.3028 0.3797 0.5248 0.5442 0.6286 0.6744 0.6874 0.7232 0.7670 0.8158 0.9138 0.9445 1.0012 1.1399 1.2474 1.2667 1.3471 1.3955 1.4440 1.4845 1.7110 1.7387 2.0049 2.0187 2.0885 2.1530 2.3184 2.3349 2.6905 2.7710 2.9389 3.0134 3.0230 3.0570 3.1723 3.1980 3.5432 3.5717 3.5986 3.6160 6.4326 6.5662 7.7925 7.8598 8.3190 8.3252 8.6974 8.7519 9.1996 9.2143 9.4367 9.4651 k = 0.2200 0.5000-0.0000 ( 11604 PWs) bands (ev): -8.2127 -8.2099 -8.1815 -8.1807 -7.9851 -7.9846 -7.9803 -7.9787 -3.2837 -3.2831 -3.2428 -3.2301 -1.7239 -1.6983 -1.6043 -1.5887 -1.5373 -1.5268 -0.7204 -0.7095 0.2587 0.2774 0.3006 0.3822 0.5168 0.5331 0.6210 0.6656 0.6866 0.7156 0.7606 0.8164 0.9046 0.9533 1.0109 1.1527 1.2472 1.2630 1.3308 1.3921 1.4386 1.4843 1.7011 1.7163 2.0121 2.0243 2.0981 2.1542 2.3437 2.3566 2.6829 2.7560 2.9201 3.0163 3.0387 3.0430 3.1509 3.2262 3.5486 3.5846 3.6173 3.6338 6.4245 6.5637 7.8139 7.8797 8.2998 8.3056 8.7552 8.8278 9.2148 9.2405 9.4394 9.4644 k = 0.2400 0.5000-0.0000 ( 11628 PWs) bands (ev): -8.2076 -8.2046 -8.1775 -8.1767 -7.9897 -7.9885 -7.9849 -7.9839 -3.2840 -3.2834 -3.2426 -3.2298 -1.7245 -1.6987 -1.6039 -1.5875 -1.5370 -1.5261 -0.7173 -0.7062 0.2593 0.2757 0.2988 0.3839 0.5080 0.5197 0.6153 0.6554 0.6870 0.7082 0.7561 0.8171 0.8962 0.9619 1.0203 1.1655 1.2486 1.2596 1.3149 1.3898 1.4333 1.4841 1.6909 1.6935 2.0217 2.0265 2.1109 2.1519 2.3666 2.3772 2.6767 2.7416 2.8998 3.0014 3.0228 3.0689 3.1363 3.2581 3.5557 3.5965 3.6363 3.6529 6.4169 6.5596 7.8348 7.8982 8.2794 8.2845 8.8144 8.9078 9.2331 9.2712 9.4455 9.4640 k = 0.2600 0.5000-0.0000 ( 11628 PWs) bands (ev): -8.2022 -8.1990 -8.1734 -8.1725 -7.9949 -7.9927 -7.9895 -7.9894 -3.2842 -3.2837 -3.2423 -3.2295 -1.7250 -1.6994 -1.6033 -1.5863 -1.5366 -1.5254 -0.7140 -0.7029 0.2600 0.2737 0.2974 0.3848 0.4986 0.5046 0.6113 0.6455 0.6866 0.7009 0.7541 0.8178 0.8890 0.9703 1.0291 1.1773 1.2512 1.2563 1.3004 1.3885 1.4281 1.4840 1.6709 1.6807 2.0260 2.0336 2.1265 2.1461 2.3863 2.3964 2.6713 2.7273 2.8787 2.9848 3.0058 3.0734 3.1467 3.2920 3.5643 3.6072 3.6552 3.6727 6.4099 6.5539 7.8548 7.9148 8.2583 8.2625 8.8733 8.9899 9.2541 9.3063 9.4569 9.4666 k = 0.2800 0.5000-0.0000 ( 11616 PWs) bands (ev): -8.1964 -8.1931 -8.1691 -8.1682 -8.0005 -7.9973 -7.9948 -7.9940 -3.2845 -3.2840 -3.2419 -3.2294 -1.7253 -1.7002 -1.6025 -1.5853 -1.5362 -1.5249 -0.7107 -0.6997 0.2609 0.2715 0.2965 0.3847 0.4886 0.4888 0.6086 0.6362 0.6847 0.6936 0.7548 0.8186 0.8838 0.9783 1.0374 1.1871 1.2518 1.2545 1.2898 1.3880 1.4230 1.4841 1.6488 1.6708 2.0234 2.0479 2.1372 2.1441 2.4026 2.4143 2.6659 2.7118 2.8569 2.9714 2.9858 3.0596 3.1794 3.3265 3.5737 3.6166 3.6737 3.6927 6.4036 6.5466 7.8733 7.9293 8.2374 8.2404 8.9301 9.0714 9.2774 9.3447 9.4739 9.4763 k = 0.3000 0.5000-0.0000 ( 11612 PWs) bands (ev): -8.1905 -8.1870 -8.1647 -8.1637 -8.0066 -8.0028 -7.9997 -7.9985 -3.2848 -3.2843 -3.2414 -3.2293 -1.7254 -1.7013 -1.6015 -1.5844 -1.5357 -1.5244 -0.7073 -0.6967 0.2618 0.2690 0.2962 0.3835 0.4725 0.4786 0.6068 0.6278 0.6812 0.6865 0.7580 0.8194 0.8807 0.9859 1.0449 1.1934 1.2438 1.2580 1.2870 1.3884 1.4181 1.4844 1.6276 1.6613 2.0193 2.0641 2.1258 2.1633 2.4156 2.4309 2.6596 2.6937 2.8341 2.9599 2.9664 3.0438 3.2185 3.3606 3.5838 3.6246 3.6914 3.7121 6.3982 6.5379 7.8900 7.9414 8.2170 8.2187 8.9831 9.1483 9.3023 9.3835 9.4884 9.5076 k = 0.3200 0.5000-0.0000 ( 11598 PWs) bands (ev): -8.1843 -8.1808 -8.1602 -8.1592 -8.0128 -8.0089 -8.0043 -8.0030 -3.2851 -3.2847 -3.2408 -3.2293 -1.7253 -1.7026 -1.6004 -1.5836 -1.5351 -1.5241 -0.7039 -0.6938 0.2626 0.2665 0.2966 0.3813 0.4569 0.4683 0.6058 0.6204 0.6765 0.6794 0.7630 0.8200 0.8802 0.9929 1.0517 1.1948 1.2333 1.2612 1.2924 1.3894 1.4134 1.4850 1.6078 1.6523 2.0140 2.0812 2.1135 2.1837 2.4260 2.4462 2.6520 2.6722 2.8101 2.9362 2.9630 3.0311 3.2594 3.3932 3.5941 3.6313 3.7080 3.7306 6.3939 6.5279 7.9046 7.9510 8.1979 8.1980 9.0313 9.2155 9.3278 9.4186 9.5116 9.5550 k = 0.3400 0.5000-0.0000 ( 11602 PWs) bands (ev): -8.1780 -8.1745 -8.1557 -8.1548 -8.0192 -8.0152 -8.0087 -8.0074 -3.2853 -3.2850 -3.2401 -3.2295 -1.7250 -1.7040 -1.5992 -1.5831 -1.5344 -1.5239 -0.7007 -0.6912 0.2632 0.2640 0.2976 0.3779 0.4423 0.4581 0.6053 0.6143 0.6711 0.6725 0.7692 0.8205 0.8824 0.9990 1.0578 1.1895 1.2248 1.2635 1.3034 1.3907 1.4090 1.4855 1.5901 1.6439 2.0078 2.0879 2.1121 2.2052 2.4345 2.4599 2.6432 2.6472 2.7846 2.9093 2.9669 3.0231 3.3002 3.4234 3.6044 3.6365 3.7234 3.7476 6.3907 6.5167 7.9170 7.9579 8.1788 8.1805 9.0742 9.2687 9.3525 9.4491 9.5412 9.6182 k = 0.3600 0.5000-0.0000 ( 11614 PWs) bands (ev): -8.1717 -8.1682 -8.1514 -8.1504 -8.0256 -8.0217 -8.0130 -8.0117 -3.2855 -3.2853 -3.2394 -3.2297 -1.7246 -1.7055 -1.5979 -1.5828 -1.5337 -1.5238 -0.6975 -0.6888 0.2617 0.2635 0.2994 0.3736 0.4291 0.4479 0.6053 0.6094 0.6655 0.6659 0.7757 0.8207 0.8873 1.0040 1.0633 1.1776 1.2209 1.2645 1.3174 1.3919 1.4050 1.4857 1.5754 1.6361 2.0013 2.0749 2.1314 2.2274 2.4417 2.4714 2.6196 2.6341 2.7576 2.8813 2.9751 3.0199 3.3399 3.4506 3.6145 3.6406 3.7374 3.7627 6.3888 6.5047 7.9272 7.9623 8.1616 8.1650 9.1122 9.3071 9.3753 9.4765 9.5686 9.6902 k = 0.3800 0.5000-0.0000 ( 11618 PWs) bands (ev): -8.1655 -8.1620 -8.1471 -8.1462 -8.0318 -8.0280 -8.0170 -8.0158 -3.2858 -3.2856 -3.2386 -3.2300 -1.7239 -1.7071 -1.5964 -1.5827 -1.5329 -1.5239 -0.6946 -0.6868 0.2597 0.2635 0.3020 0.3685 0.4178 0.4381 0.6055 0.6059 0.6596 0.6601 0.7822 0.8206 0.8949 1.0075 1.0683 1.1624 1.2200 1.2642 1.3329 1.3929 1.4015 1.4845 1.5648 1.6288 1.9947 2.0585 2.1555 2.2503 2.4479 2.4794 2.5909 2.6264 2.7295 2.8528 2.9860 3.0204 3.3776 3.4741 3.6240 3.6435 3.7500 3.7755 6.3884 6.4920 7.9353 7.9644 8.1468 8.1517 9.1460 9.3322 9.3966 9.5022 9.5868 9.7430 k = 0.4000 0.5000-0.0000 ( 11612 PWs) bands (ev): -8.1595 -8.1562 -8.1432 -8.1424 -8.0377 -8.0342 -8.0207 -8.0196 -3.2860 -3.2858 -3.2378 -3.2304 -1.7232 -1.7087 -1.5949 -1.5829 -1.5320 -1.5241 -0.6918 -0.6852 0.2581 0.2632 0.3052 0.3628 0.4085 0.4287 0.6036 0.6059 0.6538 0.6549 0.7883 0.8202 0.9049 1.0092 1.0728 1.1465 1.2209 1.2625 1.3492 1.3933 1.3986 1.4808 1.5595 1.6219 1.9887 2.0420 2.1819 2.2735 2.4522 2.4822 2.5635 2.6224 2.7012 2.8243 2.9978 3.0236 3.4126 3.4934 3.6325 3.6454 3.7612 3.7860 6.3895 6.4790 7.9414 7.9646 8.1346 8.1405 9.1764 9.3455 9.4172 9.5259 9.5994 9.7338 k = 0.4200 0.5000-0.0000 ( 11618 PWs) bands (ev): -8.1538 -8.1508 -8.1397 -8.1390 -8.0431 -8.0400 -8.0240 -8.0231 -3.2861 -3.2860 -3.2369 -3.2309 -1.7222 -1.7104 -1.5934 -1.5834 -1.5310 -1.5245 -0.6894 -0.6839 0.2569 0.2624 0.3092 0.3566 0.4014 0.4199 0.6025 0.6063 0.6486 0.6503 0.7938 0.8193 0.9170 1.0084 1.0769 1.1314 1.2230 1.2595 1.3653 1.3931 1.3963 1.4739 1.5594 1.6151 1.9837 2.0263 2.2098 2.2963 2.4518 2.4786 2.5421 2.6232 2.6744 2.7961 3.0094 3.0279 3.4440 3.5084 3.6395 3.6466 3.7712 3.7937 6.3922 6.4659 7.9459 7.9635 8.1252 8.1314 9.2040 9.3482 9.4376 9.5454 9.6131 9.7104 k = 0.4400 0.5000-0.0000 ( 11602 PWs) bands (ev): -8.1488 -8.1462 -8.1368 -8.1362 -8.0477 -8.0451 -8.0267 -8.0260 -3.2863 -3.2862 -3.2361 -3.2315 -1.7211 -1.7121 -1.5918 -1.5841 -1.5301 -1.5250 -0.6873 -0.6831 0.2563 0.2614 0.3139 0.3502 0.3967 0.4121 0.6025 0.6066 0.6444 0.6462 0.7989 0.8180 0.9306 1.0046 1.0807 1.1182 1.2261 1.2555 1.3806 1.3925 1.3954 1.4645 1.5635 1.6082 1.9802 2.0122 2.2389 2.3177 2.4423 2.4688 2.5329 2.6237 2.6550 2.7686 3.0196 3.0323 3.4712 3.5190 3.6446 3.6474 3.7800 3.7988 6.3965 6.4531 7.9490 7.9616 8.1186 8.1243 9.2294 9.3422 9.4583 9.5564 9.6311 9.6941 k = 0.4600 0.5000-0.0000 ( 11584 PWs) bands (ev): -8.1446 -8.1428 -8.1345 -8.1340 -8.0512 -8.0493 -8.0288 -8.0283 -3.2863 -3.2863 -3.2352 -3.2322 -1.7198 -1.7138 -1.5903 -1.5850 -1.5291 -1.5256 -0.6855 -0.6827 0.2563 0.2602 0.3191 0.3437 0.3943 0.4053 0.6031 0.6066 0.6414 0.6430 0.8034 0.8161 0.9452 0.9974 1.0846 1.1076 1.2301 1.2507 1.3897 1.3919 1.4007 1.4533 1.5701 1.6011 1.9788 2.0001 2.2686 2.3344 2.4264 2.4545 2.5368 2.6089 2.6578 2.7422 3.0278 3.0357 3.4934 3.5247 3.6476 3.6480 3.7877 3.8012 6.4025 6.4409 7.9514 7.9594 8.1145 8.1188 9.2529 9.3301 9.4794 9.5544 9.6525 9.6900 k = 0.4800 0.5000-0.0000 ( 11588 PWs) bands (ev): -8.1417 -8.1407 -8.1330 -8.1328 -8.0532 -8.0522 -8.0300 -8.0298 -3.2864 -3.2864 -3.2344 -3.2329 -1.7185 -1.7154 -1.5888 -1.5861 -1.5281 -1.5264 -0.6842 -0.6828 0.2568 0.2588 0.3247 0.3372 0.3942 0.3999 0.6041 0.6062 0.6397 0.6406 0.8073 0.8137 0.9600 0.9871 1.0886 1.0994 1.2348 1.2454 1.3906 1.3912 1.4139 1.4410 1.5777 1.5936 1.9799 1.9906 2.2977 2.3384 2.4168 2.4380 2.5492 2.5872 2.6736 2.7171 3.0336 3.0374 3.5100 3.5254 3.6485 3.6489 3.7939 3.8010 6.4101 6.4295 7.9533 7.9572 8.1127 8.1150 9.2749 9.3140 9.5007 9.5410 9.6738 9.6924 k = 0.5000 0.5000-0.0000 ( 11576 PWs) bands (ev): -8.1404 -8.1404 -8.1324 -8.1324 -8.0536 -8.0536 -8.0303 -8.0303 -3.2864 -3.2864 -3.2336 -3.2336 -1.7170 -1.7170 -1.5874 -1.5874 -1.5272 -1.5272 -0.6832 -0.6832 0.2577 0.2577 0.3308 0.3308 0.3961 0.3961 0.6053 0.6053 0.6395 0.6395 0.8108 0.8108 0.9743 0.9743 1.0933 1.0933 1.2400 1.2400 1.3908 1.3908 1.4278 1.4278 1.5858 1.5858 1.9838 1.9838 2.3234 2.3234 2.4230 2.4230 2.5666 2.5666 2.6940 2.6940 3.0368 3.0368 3.5206 3.5206 3.6490 3.6490 3.7985 3.7985 6.4191 6.4191 7.9552 7.9552 8.1129 8.1129 9.2954 9.2954 9.5218 9.5218 9.6888 9.6888 k = 0.5000 0.5000-0.0000 ( 11576 PWs) bands (ev): -8.1404 -8.1404 -8.1324 -8.1324 -8.0536 -8.0536 -8.0303 -8.0303 -3.2864 -3.2864 -3.2336 -3.2336 -1.7170 -1.7170 -1.5874 -1.5874 -1.5272 -1.5272 -0.6832 -0.6832 0.2577 0.2577 0.3308 0.3308 0.3961 0.3961 0.6053 0.6053 0.6395 0.6395 0.8108 0.8108 0.9743 0.9743 1.0933 1.0933 1.2400 1.2400 1.3908 1.3908 1.4278 1.4278 1.5858 1.5858 1.9838 1.9838 2.3234 2.3234 2.4230 2.4230 2.5666 2.5666 2.6940 2.6940 3.0368 3.0368 3.5206 3.5206 3.6490 3.6490 3.7985 3.7985 6.4191 6.4191 7.9552 7.9552 8.1129 8.1129 9.2954 9.2954 9.5218 9.5218 9.6888 9.6888 k = 0.4857 0.4857-0.0000 ( 11588 PWs) bands (ev): -8.1461 -8.1454 -8.1280 -8.1275 -8.0543 -8.0533 -8.0299 -8.0291 -3.2868 -3.2861 -3.2342 -3.2330 -1.7197 -1.7144 -1.5889 -1.5859 -1.5278 -1.5265 -0.6843 -0.6827 0.2571 0.2590 0.3266 0.3355 0.3935 0.4002 0.6030 0.6073 0.6368 0.6431 0.8079 0.8131 0.9624 0.9848 1.0893 1.0972 1.2297 1.2502 1.3780 1.4022 1.4187 1.4394 1.5761 1.5961 1.9814 1.9896 2.3006 2.3384 2.4147 2.4350 2.5542 2.5813 2.6766 2.7175 3.0298 3.0400 3.5127 3.5248 3.6465 3.6468 3.7944 3.8022 6.4104 6.4271 7.9400 7.9716 8.1000 8.1289 9.2766 9.3112 9.5037 9.5373 9.6652 9.7052 k = 0.4714 0.4714-0.0000 ( 11586 PWs) bands (ev): -8.1549 -8.1539 -8.1215 -8.1206 -8.0552 -8.0533 -8.0278 -8.0263 -3.2873 -3.2859 -3.2347 -3.2324 -1.7224 -1.7118 -1.5906 -1.5846 -1.5283 -1.5259 -0.6858 -0.6826 0.2573 0.2611 0.3230 0.3406 0.3923 0.4058 0.6004 0.6093 0.6350 0.6477 0.8045 0.8148 0.9496 0.9935 1.0849 1.1014 1.2194 1.2602 1.3646 1.4080 1.4159 1.4532 1.5677 1.6067 1.9825 1.9987 2.2737 2.3441 2.4105 2.4445 2.5521 2.5948 2.6649 2.7468 3.0194 3.0395 3.5011 3.5246 3.6390 3.6404 3.7904 3.8058 6.4010 6.4341 7.9264 7.9880 8.0910 8.1469 9.2551 9.3238 9.4850 9.5456 9.6419 9.7135 k = 0.4571 0.4571-0.0000 ( 11600 PWs) bands (ev): -8.1647 -8.1635 -8.1152 -8.1139 -8.0559 -8.0534 -8.0244 -8.0224 -3.2878 -3.2857 -3.2351 -3.2317 -1.7252 -1.7094 -1.5923 -1.5835 -1.5288 -1.5252 -0.6877 -0.6830 0.2583 0.2638 0.3201 0.3459 0.3925 0.4128 0.5976 0.6113 0.6342 0.6529 0.8009 0.8156 0.9362 1.0002 1.0798 1.1063 1.2095 1.2698 1.3514 1.4037 1.4239 1.4683 1.5609 1.6171 1.9869 2.0108 2.2456 2.3424 2.4072 2.4443 2.5673 2.6063 2.6583 2.7803 3.0064 3.0358 3.4857 3.5190 3.6258 3.6308 3.7872 3.8101 6.3911 6.4394 7.9145 8.0024 8.0871 8.1661 9.2310 9.3331 9.4668 9.5377 9.6305 9.7185 k = 0.4429 0.4429-0.0000 ( 11604 PWs) bands (ev): -8.1752 -8.1738 -8.1092 -8.1075 -8.0561 -8.0533 -8.0202 -8.0178 -3.2884 -3.2856 -3.2354 -3.2310 -1.7278 -1.7072 -1.5941 -1.5825 -1.5292 -1.5245 -0.6901 -0.6842 0.2602 0.2669 0.3180 0.3514 0.3939 0.4213 0.5947 0.6138 0.6341 0.6586 0.7969 0.8154 0.9228 1.0047 1.0737 1.1117 1.2005 1.2792 1.3387 1.3994 1.4325 1.4842 1.5560 1.6269 1.9943 2.0258 2.2182 2.3364 2.4002 2.4394 2.5935 2.6184 2.6569 2.8159 2.9920 3.0300 3.4659 3.5071 3.6070 3.6183 3.7861 3.8157 6.3804 6.4425 7.9041 8.0123 8.0898 8.1854 9.2046 9.3389 9.4495 9.5108 9.6349 9.7246 k = 0.4286 0.4286-0.0000 ( 11632 PWs) bands (ev): -8.1863 -8.1849 -8.1035 -8.1013 -8.0559 -8.0528 -8.0156 -8.0128 -3.2890 -3.2857 -3.2357 -3.2303 -1.7303 -1.7052 -1.5959 -1.5816 -1.5295 -1.5238 -0.6930 -0.6861 0.2626 0.2702 0.3167 0.3570 0.3964 0.4312 0.5919 0.6169 0.6345 0.6647 0.7928 0.8140 0.9099 1.0071 1.0666 1.1176 1.1930 1.2884 1.3269 1.3961 1.4407 1.5002 1.5535 1.6359 2.0041 2.0434 2.1923 2.3280 2.3872 2.4368 2.6084 2.6450 2.6608 2.8496 2.9782 3.0246 3.4417 3.4884 3.5828 3.6026 3.7880 3.8234 6.3686 6.4426 7.8945 8.0164 8.0987 8.2035 9.1757 9.3404 9.4331 9.4729 9.6470 9.7343 k = 0.4143 0.4143-0.0000 ( 11624 PWs) bands (ev): -8.1980 -8.1965 -8.0979 -8.0953 -8.0551 -8.0519 -8.0107 -8.0075 -3.2896 -3.2858 -3.2358 -3.2297 -1.7327 -1.7034 -1.5976 -1.5809 -1.5297 -1.5233 -0.6965 -0.6889 0.2656 0.2736 0.3163 0.3628 0.3999 0.4423 0.5892 0.6213 0.6355 0.6709 0.7887 0.8115 0.8981 1.0077 1.0585 1.1232 1.1878 1.2974 1.3162 1.3937 1.4489 1.5156 1.5537 1.6442 2.0152 2.0632 2.1688 2.3183 2.3713 2.4367 2.6117 2.6673 2.6843 2.8755 2.9673 3.0251 3.4134 3.4634 3.5538 3.5833 3.7936 3.8336 6.3553 6.4392 7.8849 8.0154 8.1109 8.2194 9.1438 9.3365 9.4174 9.4289 9.6595 9.7476 k = 0.4000 0.4000-0.0000 ( 11616 PWs) bands (ev): -8.2102 -8.2087 -8.0923 -8.0893 -8.0537 -8.0504 -8.0057 -8.0022 -3.2902 -3.2860 -3.2359 -3.2291 -1.7350 -1.7019 -1.5994 -1.5803 -1.5300 -1.5228 -0.7006 -0.6926 0.2689 0.2770 0.3169 0.3688 0.4040 0.4541 0.5867 0.6273 0.6367 0.6770 0.7844 0.8078 0.8879 1.0068 1.0497 1.1276 1.1857 1.3058 1.3071 1.3920 1.4573 1.5295 1.5573 1.6517 2.0268 2.0843 2.1482 2.3078 2.3558 2.4373 2.6122 2.6781 2.7206 2.8897 2.9580 3.0403 3.3815 3.4330 3.5209 3.5605 3.8028 3.8462 6.3401 6.4317 7.8746 8.0108 8.1231 8.2320 9.1080 9.3246 9.3799 9.4027 9.6630 9.7578 k = 0.3857 0.3857-0.0000 ( 11618 PWs) bands (ev): -8.2227 -8.2212 -8.0867 -8.0834 -8.0517 -8.0485 -8.0008 -7.9970 -3.2907 -3.2862 -3.2358 -3.2285 -1.7370 -1.7006 -1.6010 -1.5799 -1.5302 -1.5225 -0.7055 -0.6974 0.2723 0.2801 0.3186 0.3749 0.4087 0.4660 0.5845 0.6352 0.6381 0.6827 0.7798 0.8036 0.8799 1.0047 1.0402 1.1302 1.1871 1.2978 1.3153 1.3910 1.4660 1.5405 1.5654 1.6585 2.0375 2.1030 2.1339 2.2970 2.3425 2.4377 2.6117 2.6903 2.7476 2.9003 2.9473 3.0715 3.3470 3.3984 3.4847 3.5348 3.8152 3.8608 6.3225 6.4196 7.8627 8.0027 8.1329 8.2405 9.0674 9.3000 9.3286 9.3881 9.6400 9.7318 k = 0.3714 0.3714-0.0000 ( 11594 PWs) bands (ev): -8.2356 -8.2341 -8.0810 -8.0775 -8.0493 -8.0461 -7.9960 -7.9920 -3.2913 -3.2865 -3.2357 -3.2280 -1.7388 -1.6996 -1.6026 -1.5795 -1.5304 -1.5223 -0.7112 -0.7033 0.2756 0.2829 0.3216 0.3811 0.4138 0.4776 0.5825 0.6395 0.6457 0.6878 0.7746 0.7999 0.8741 1.0017 1.0306 1.1312 1.1919 1.2901 1.3242 1.3906 1.4754 1.5487 1.5777 1.6649 2.0464 2.1037 2.1405 2.2864 2.3326 2.4374 2.6109 2.7027 2.7591 2.9166 2.9391 3.1115 3.3112 3.3608 3.4460 3.5074 3.8301 3.8772 6.3023 6.4027 7.8481 7.9910 8.1390 8.2444 9.0209 9.2528 9.2842 9.3719 9.5809 9.6656 k = 0.3571 0.3571-0.0000 ( 11604 PWs) bands (ev): -8.2486 -8.2473 -8.0752 -8.0714 -8.0464 -8.0432 -7.9914 -7.9873 -3.2918 -3.2869 -3.2354 -3.2275 -1.7403 -1.6988 -1.6041 -1.5793 -1.5306 -1.5223 -0.7179 -0.7105 0.2785 0.2853 0.3258 0.3870 0.4193 0.4882 0.5809 0.6409 0.6582 0.6917 0.7690 0.7981 0.8704 0.9979 1.0209 1.1312 1.1989 1.2831 1.3330 1.3906 1.4858 1.5558 1.5919 1.6710 2.0523 2.0936 2.1594 2.2768 2.3268 2.4362 2.6096 2.7115 2.7603 2.9155 2.9599 3.1538 3.2759 3.3215 3.4055 3.4802 3.8469 3.8950 6.2791 6.3807 7.8303 7.9751 8.1407 8.2435 8.9679 9.1881 9.2427 9.3506 9.5011 9.5794 k = 0.3429 0.3429-0.0000 ( 11590 PWs) bands (ev): -8.2619 -8.2606 -8.0693 -8.0653 -8.0431 -8.0400 -7.9872 -7.9828 -3.2922 -3.2873 -3.2351 -3.2271 -1.7415 -1.6982 -1.6054 -1.5791 -1.5309 -1.5224 -0.7256 -0.7189 0.2810 0.2874 0.3311 0.3926 0.4250 0.4976 0.5796 0.6421 0.6724 0.6941 0.7634 0.7992 0.8688 0.9934 1.0116 1.1313 1.2072 1.2770 1.3418 1.3910 1.4973 1.5631 1.6068 1.6771 2.0542 2.0852 2.1759 2.2699 2.3255 2.4339 2.6072 2.7097 2.7651 2.9059 2.9952 3.1920 3.2445 3.2832 3.3639 3.4564 3.8650 3.9139 6.2527 6.3538 7.8085 7.9545 8.1379 8.2380 8.9086 9.1161 9.1968 9.3178 9.4191 9.4839 k = 0.3286 0.3286-0.0000 ( 11590 PWs) bands (ev): -8.2752 -8.2740 -8.0632 -8.0591 -8.0394 -8.0364 -7.9832 -7.9787 -3.2925 -3.2876 -3.2348 -3.2268 -1.7424 -1.6978 -1.6067 -1.5791 -1.5312 -1.5227 -0.7345 -0.7284 0.2830 0.2892 0.3375 0.3976 0.4311 0.5057 0.5786 0.6431 0.6865 0.6952 0.7591 0.8040 0.8690 0.9883 1.0030 1.1320 1.2157 1.2715 1.3506 1.3919 1.5101 1.5710 1.6216 1.6833 2.0519 2.0804 2.1849 2.2676 2.3285 2.4303 2.6029 2.6978 2.7777 2.8998 3.0264 3.2042 3.2262 3.2593 3.3222 3.4409 3.8840 3.9335 6.2231 6.3220 7.7824 7.9286 8.1309 8.2282 8.8439 9.0397 9.1448 9.2607 9.3519 9.3885 k = 0.3143 0.3143-0.0000 ( 11584 PWs) bands (ev): -8.2885 -8.2874 -8.0571 -8.0529 -8.0354 -8.0325 -7.9795 -7.9749 -3.2928 -3.2880 -3.2343 -3.2265 -1.7430 -1.6976 -1.6079 -1.5791 -1.5316 -1.5232 -0.7446 -0.7391 0.2847 0.2906 0.3447 0.4017 0.4375 0.5126 0.5780 0.6436 0.6931 0.7006 0.7568 0.8134 0.8709 0.9823 0.9954 1.1338 1.2240 1.2668 1.3594 1.3932 1.5241 1.5797 1.6361 1.6898 2.0473 2.0780 2.1849 2.2703 2.3351 2.4251 2.5954 2.6834 2.7927 2.9007 3.0432 3.1812 3.2087 3.2692 3.2849 3.4410 3.9036 3.9536 6.1902 6.2855 7.7518 7.8972 8.1199 8.2147 8.7752 8.9609 9.0854 9.1793 9.2937 9.3068 k = 0.3000 0.3000-0.0000 ( 11570 PWs) bands (ev): -8.3018 -8.3007 -8.0508 -8.0465 -8.0311 -8.0284 -7.9762 -7.9715 -3.2930 -3.2884 -3.2338 -3.2263 -1.7432 -1.6976 -1.6090 -1.5792 -1.5321 -1.5239 -0.7560 -0.7508 0.2860 0.2918 0.3525 0.4051 0.4440 0.5184 0.5777 0.6435 0.6915 0.7096 0.7568 0.8275 0.8744 0.9760 0.9889 1.1371 1.2313 1.2629 1.3681 1.3950 1.5394 1.5893 1.6501 1.6969 2.0425 2.0765 2.1783 2.2754 2.3436 2.4177 2.5839 2.6700 2.8073 2.9099 3.0415 3.1466 3.2002 3.2381 3.2976 3.4602 3.9237 3.9742 6.1540 6.2447 7.7167 7.8604 8.1057 8.1979 8.7043 8.8814 9.0173 9.0894 9.2135 9.2580 k = 0.2857 0.2857-0.0000 ( 11574 PWs) bands (ev): -8.3149 -8.3139 -8.0445 -8.0401 -8.0266 -8.0240 -7.9731 -7.9685 -3.2931 -3.2887 -3.2333 -3.2261 -1.7431 -1.6976 -1.6100 -1.5794 -1.5327 -1.5247 -0.7688 -0.7634 0.2870 0.2927 0.3606 0.4078 0.4504 0.5233 0.5777 0.6427 0.6894 0.7152 0.7588 0.8446 0.8797 0.9706 0.9831 1.1419 1.2370 1.2602 1.3769 1.3975 1.5559 1.5999 1.6634 1.7044 2.0385 2.0753 2.1682 2.2806 2.3521 2.4075 2.5689 2.6575 2.8224 2.9248 3.0302 3.1108 3.1844 3.2043 3.3277 3.4935 3.9440 3.9949 6.1146 6.1999 7.6773 7.8183 8.0888 8.1784 8.6326 8.8023 8.9415 8.9985 9.1389 9.2069 k = 0.2714 0.2714-0.0000 ( 11570 PWs) bands (ev): -8.3279 -8.3269 -8.0381 -8.0337 -8.0219 -8.0195 -7.9704 -7.9658 -3.2931 -3.2890 -3.2327 -3.2260 -1.7427 -1.6978 -1.6109 -1.5796 -1.5334 -1.5257 -0.7830 -0.7767 0.2877 0.2934 0.3687 0.4100 0.4566 0.5276 0.5781 0.6413 0.6877 0.7180 0.7618 0.8601 0.8876 0.9684 0.9778 1.1483 1.2405 1.2590 1.3855 1.4008 1.5733 1.6116 1.6760 1.7124 2.0357 2.0747 2.1568 2.2846 2.3591 2.3941 2.5522 2.6442 2.8402 2.9365 3.0225 3.0788 3.1529 3.1812 3.3680 3.5341 3.9645 4.0158 6.0722 6.1514 7.6340 7.7713 8.0697 8.1568 8.5615 8.7246 8.8608 8.9091 9.0688 9.1489 k = 0.2571 0.2571-0.0000 ( 11578 PWs) bands (ev): -8.3406 -8.3396 -8.0317 -8.0273 -8.0171 -8.0148 -7.9681 -7.9635 -3.2930 -3.2893 -3.2321 -3.2259 -1.7419 -1.6979 -1.6116 -1.5800 -1.5343 -1.5268 -0.7982 -0.7907 0.2882 0.2938 0.3766 0.4120 0.4626 0.5313 0.5787 0.6392 0.6868 0.7191 0.7654 0.8697 0.8965 0.9697 0.9766 1.1563 1.2416 1.2595 1.3939 1.4051 1.5915 1.6243 1.6880 1.7208 2.0341 2.0749 2.1454 2.2872 2.3636 2.3777 2.5348 2.6288 2.8612 2.9358 3.0191 3.0611 3.1202 3.1608 3.4140 3.5776 3.9851 4.0367 6.0269 6.0996 7.5872 7.7199 8.0489 8.1335 8.4920 8.6491 8.7788 8.8225 8.9998 9.0834 k = 0.2429 0.2429-0.0000 ( 11580 PWs) bands (ev): -8.3529 -8.3520 -8.0253 -8.0209 -8.0122 -8.0100 -7.9660 -7.9615 -3.2928 -3.2895 -3.2315 -3.2259 -1.7408 -1.6981 -1.6123 -1.5805 -1.5352 -1.5280 -0.8143 -0.8054 0.2885 0.2941 0.3841 0.4141 0.4683 0.5348 0.5796 0.6367 0.6867 0.7193 0.7691 0.8740 0.9008 0.9650 0.9922 1.1656 1.2414 1.2610 1.4020 1.4105 1.6100 1.6378 1.6994 1.7293 2.0334 2.0758 2.1350 2.2882 2.3560 2.3687 2.5175 2.6111 2.8814 2.9284 3.0000 3.0612 3.1057 3.1433 3.4626 3.6218 4.0058 4.0574 5.9789 6.0448 7.5376 7.6648 8.0268 8.1089 8.4249 8.5761 8.6980 8.7394 8.9293 9.0104 k = 0.2286 0.2286-0.0000 ( 11568 PWs) bands (ev): -8.3649 -8.3641 -8.0189 -8.0146 -8.0073 -8.0053 -7.9641 -7.9597 -3.2925 -3.2896 -3.2309 -3.2259 -1.7394 -1.6983 -1.6128 -1.5810 -1.5363 -1.5292 -0.8311 -0.8208 0.2886 0.2940 0.3909 0.4163 0.4740 0.5379 0.5806 0.6341 0.6875 0.7191 0.7729 0.8747 0.8999 0.9590 1.0173 1.1756 1.2411 1.2631 1.4097 1.4171 1.6285 1.6523 1.7107 1.7377 2.0335 2.0773 2.1265 2.2873 2.3353 2.3693 2.5003 2.5913 2.8884 2.9302 2.9758 3.0397 3.1276 3.1364 3.5124 3.6658 4.0266 4.0780 5.9285 5.9874 7.4857 7.6067 8.0039 8.0834 8.3607 8.5061 8.6200 8.6602 8.8561 8.9307 k = 0.2143 0.2143-0.0000 ( 11560 PWs) bands (ev): -8.3765 -8.3757 -8.0126 -8.0084 -8.0024 -8.0005 -7.9626 -7.9583 -3.2921 -3.2897 -3.2304 -3.2260 -1.7376 -1.6985 -1.6131 -1.5817 -1.5376 -1.5306 -0.8483 -0.8366 0.2886 0.2937 0.3968 0.4188 0.4796 0.5409 0.5819 0.6316 0.6887 0.7187 0.7766 0.8721 0.8969 0.9527 1.0463 1.1854 1.2415 1.2663 1.4170 1.4246 1.6462 1.6676 1.7219 1.7456 2.0337 2.0792 2.1210 2.2836 2.3144 2.3691 2.4834 2.5701 2.8807 2.9389 2.9551 3.0131 3.1318 3.1724 3.5627 3.7090 4.0474 4.0982 5.8758 5.9277 7.4323 7.5467 7.9804 8.0573 8.2997 8.4391 8.5457 8.5853 8.7800 8.8458 k = 0.2000 0.2000-0.0000 ( 11562 PWs) bands (ev): -8.3876 -8.3868 -8.0065 -8.0024 -7.9975 -7.9958 -7.9612 -7.9572 -3.2917 -3.2897 -3.2298 -3.2260 -1.7356 -1.6986 -1.6134 -1.5825 -1.5390 -1.5319 -0.8657 -0.8528 0.2884 0.2932 0.4018 0.4216 0.4855 0.5438 0.5832 0.6292 0.6903 0.7182 0.7800 0.8667 0.8934 0.9461 1.0758 1.1936 1.2431 1.2720 1.4241 1.4325 1.6624 1.6839 1.7331 1.7529 2.0332 2.0814 2.1189 2.2734 2.2985 2.3678 2.4670 2.5479 2.8702 2.9279 2.9506 2.9890 3.1471 3.2154 3.6132 3.7514 4.0681 4.1180 5.8211 5.8662 7.3781 7.4854 7.9568 8.0309 8.2419 8.3753 8.4758 8.5149 8.7015 8.7574 k = 0.1857 0.1857-0.0000 ( 11576 PWs) bands (ev): -8.3981 -8.3973 -8.0006 -7.9966 -7.9927 -7.9912 -7.9601 -7.9562 -3.2912 -3.2897 -3.2292 -3.2261 -1.7333 -1.6987 -1.6134 -1.5835 -1.5406 -1.5333 -0.8831 -0.8692 0.2880 0.2923 0.4061 0.4244 0.4917 0.5467 0.5845 0.6271 0.6921 0.7178 0.7832 0.8595 0.8894 0.9393 1.1035 1.1990 1.2472 1.2812 1.4313 1.4405 1.6768 1.7006 1.7441 1.7594 2.0315 2.0841 2.1199 2.2553 2.2901 2.3653 2.4517 2.5254 2.8607 2.9104 2.9459 2.9690 3.1753 3.2593 3.6641 3.7930 4.0886 4.1371 5.7646 5.8031 7.3239 7.4239 7.9333 8.0043 8.1875 8.3145 8.4107 8.4490 8.6213 8.6673 k = 0.1714 0.1714-0.0000 ( 11578 PWs) bands (ev): -8.4080 -8.4073 -7.9949 -7.9911 -7.9881 -7.9867 -7.9592 -7.9555 -3.2907 -3.2896 -3.2288 -3.2261 -1.7307 -1.6987 -1.6133 -1.5845 -1.5423 -1.5346 -0.9003 -0.8856 0.2875 0.2912 0.4099 0.4271 0.4984 0.5495 0.5859 0.6254 0.6940 0.7175 0.7860 0.8514 0.8846 0.9323 1.1274 1.2011 1.2553 1.2943 1.4383 1.4482 1.6896 1.7174 1.7546 1.7653 2.0285 2.0877 2.1226 2.2351 2.2846 2.3617 2.4383 2.5032 2.8528 2.8951 2.9358 2.9533 3.2118 3.3024 3.7155 3.8342 4.1088 4.1554 5.7067 5.7388 7.2704 7.3629 7.9101 7.9779 8.1362 8.2568 8.3506 8.3879 8.5407 8.5777 k = 0.1571 0.1571-0.0000 ( 11570 PWs) bands (ev): -8.4173 -8.4167 -7.9894 -7.9859 -7.9837 -7.9824 -7.9584 -7.9550 -3.2902 -3.2894 -3.2283 -3.2262 -1.7280 -1.6987 -1.6130 -1.5856 -1.5442 -1.5360 -0.9170 -0.9017 0.2869 0.2900 0.4134 0.4294 0.5054 0.5524 0.5872 0.6240 0.6958 0.7173 0.7883 0.8430 0.8790 0.9253 1.1458 1.2004 1.2687 1.3105 1.4452 1.4556 1.7012 1.7334 1.7639 1.7713 2.0247 2.0914 2.1258 2.2160 2.2797 2.3567 2.4276 2.4819 2.8469 2.8825 2.9242 2.9407 3.2520 3.3433 3.7677 3.8752 4.1285 4.1727 5.6475 5.6738 7.2184 7.3034 7.8876 7.9517 8.0881 8.2021 8.2957 8.3315 8.4606 8.4910 k = 0.1429 0.1429-0.0000 ( 11552 PWs) bands (ev): -8.4260 -8.4254 -7.9843 -7.9810 -7.9794 -7.9783 -7.9577 -7.9546 -3.2898 -3.2891 -3.2279 -3.2262 -1.7251 -1.6986 -1.6125 -1.5867 -1.5460 -1.5375 -0.9330 -0.9175 0.2862 0.2886 0.4166 0.4314 0.5127 0.5553 0.5885 0.6230 0.6975 0.7173 0.7900 0.8346 0.8728 0.9181 1.1585 1.1978 1.2870 1.3286 1.4520 1.4625 1.7117 1.7481 1.7707 1.7783 2.0206 2.0936 2.1288 2.1992 2.2748 2.3503 2.4201 2.4622 2.8428 2.8730 2.9138 2.9299 3.2930 3.3813 3.8209 3.9165 4.1475 4.1889 5.5876 5.6084 7.1687 7.2460 7.8660 7.9259 8.0430 8.1503 8.2459 8.2798 8.3819 8.4098 k = 0.1286 0.1286-0.0000 ( 11552 PWs) bands (ev): -8.4339 -8.4333 -7.9795 -7.9766 -7.9754 -7.9743 -7.9572 -7.9543 -3.2894 -3.2887 -3.2276 -3.2262 -1.7221 -1.6984 -1.6117 -1.5879 -1.5479 -1.5390 -0.9480 -0.9326 0.2853 0.2871 0.4197 0.4330 0.5201 0.5581 0.5898 0.6224 0.6990 0.7174 0.7909 0.8265 0.8663 0.9108 1.1665 1.1945 1.3088 1.3479 1.4584 1.4688 1.7214 1.7607 1.7757 1.7861 2.0167 2.0924 2.1318 2.1850 2.2702 2.3424 2.4157 2.4453 2.8406 2.8666 2.9052 2.9205 3.3328 3.4154 3.8751 3.9583 4.1656 4.2036 5.5273 5.5432 7.1217 7.1914 7.8454 7.9005 8.0008 8.1013 8.2009 8.2330 8.3062 8.3362 k = 0.1143 0.1143-0.0000 ( 11556 PWs) bands (ev): -8.4411 -8.4406 -7.9751 -7.9727 -7.9717 -7.9706 -7.9567 -7.9542 -3.2890 -3.2883 -3.2273 -3.2261 -1.7191 -1.6983 -1.6108 -1.5892 -1.5497 -1.5406 -0.9620 -0.9470 0.2844 0.2856 0.4225 0.4343 0.5273 0.5610 0.5911 0.6221 0.7003 0.7176 0.7910 0.8188 0.8600 0.9034 1.1713 1.1909 1.3322 1.3674 1.4645 1.4744 1.7304 1.7701 1.7813 1.7934 2.0133 2.0873 2.1347 2.1728 2.2660 2.3328 2.4139 2.4321 2.8404 2.8631 2.8986 2.9125 3.3701 3.4452 3.9301 4.0007 4.1825 4.2169 5.4671 5.4788 7.0783 7.1404 7.8258 7.8756 7.9615 8.0551 8.1606 8.1910 8.2358 8.2710 k = 0.1000 0.1000-0.0000 ( 11550 PWs) bands (ev): -8.4475 -8.4470 -7.9712 -7.9693 -7.9683 -7.9672 -7.9563 -7.9541 -3.2887 -3.2879 -3.2271 -3.2261 -1.7162 -1.6981 -1.6097 -1.5904 -1.5513 -1.5423 -0.9746 -0.9604 0.2833 0.2841 0.4252 0.4354 0.5343 0.5636 0.5925 0.6220 0.7014 0.7179 0.7900 0.8115 0.8543 0.8960 1.1741 1.1875 1.3556 1.3864 1.4702 1.4791 1.7389 1.7755 1.7886 1.7997 2.0106 2.0793 2.1370 2.1620 2.2624 2.3215 2.4139 2.4233 2.8421 2.8621 2.8938 2.9059 3.4040 3.4706 3.9852 4.0436 4.1983 4.2285 5.4079 5.4161 7.0390 7.0934 7.8074 7.8512 7.9257 8.0114 8.1247 8.1536 8.1736 8.2146 k = 0.0857 0.0857-0.0000 ( 11576 PWs) bands (ev): -8.4531 -8.4527 -7.9678 -7.9664 -7.9651 -7.9641 -7.9560 -7.9542 -3.2883 -3.2875 -3.2269 -3.2260 -1.7133 -1.6980 -1.6085 -1.5917 -1.5528 -1.5440 -0.9856 -0.9727 0.2823 0.2828 0.4276 0.4362 0.5408 0.5659 0.5943 0.6221 0.7025 0.7181 0.7881 0.8046 0.8498 0.8886 1.1756 1.1845 1.3780 1.4043 1.4753 1.4829 1.7469 1.7786 1.7958 1.8049 2.0086 2.0697 2.1381 2.1520 2.2596 2.3089 2.4149 2.4185 2.8456 2.8629 2.8904 2.9004 3.4340 3.4914 4.0393 4.0861 4.2127 4.2384 5.3505 5.3559 7.0043 7.0510 7.7898 7.8272 7.8940 7.9707 8.0927 8.1172 8.1252 8.1672 k = 0.0714 0.0714-0.0000 ( 11583 PWs) bands (ev): -8.4579 -8.4575 -7.9649 -7.9640 -7.9624 -7.9615 -7.9557 -7.9542 -3.2880 -3.2872 -3.2268 -3.2259 -1.7106 -1.6980 -1.6071 -1.5930 -1.5539 -1.5459 -0.9951 -0.9837 0.2812 0.2817 0.4297 0.4369 0.5468 0.5677 0.5967 0.6221 0.7036 0.7182 0.7855 0.7982 0.8468 0.8814 1.1764 1.1821 1.3987 1.4204 1.4799 1.4858 1.7543 1.7809 1.8020 1.8090 2.0075 2.0598 2.1376 2.1432 2.2575 2.2960 2.4165 2.4168 2.8504 2.8649 2.8882 2.8960 3.4600 3.5078 4.0910 4.1270 4.2259 4.2467 5.2962 5.2997 6.9747 7.0137 7.7731 7.8039 7.8676 7.9336 8.0646 8.0766 8.0967 8.1286 k = 0.0571 0.0571-0.0000 ( 11603 PWs) bands (ev): -8.4618 -8.4615 -7.9625 -7.9621 -7.9601 -7.9593 -7.9553 -7.9542 -3.2877 -3.2870 -3.2267 -3.2259 -1.7080 -1.6981 -1.6056 -1.5942 -1.5547 -1.5477 -1.0027 -0.9931 0.2802 0.2807 0.4315 0.4372 0.5520 0.5687 0.5996 0.6218 0.7050 0.7181 0.7825 0.7923 0.8454 0.8745 1.1767 1.1801 1.4170 1.4343 1.4837 1.4879 1.7613 1.7827 1.8067 1.8121 2.0074 2.0500 2.1338 2.1374 2.2561 2.2842 2.4169 2.4181 2.8561 2.8673 2.8870 2.8925 3.4818 3.5199 4.1384 4.1644 4.2382 4.2535 5.2466 5.2490 6.9506 6.9818 7.7574 7.7818 7.8473 7.9012 8.0403 8.0445 8.0752 8.0982 k = 0.0429 0.0429-0.0000 ( 11603 PWs) bands (ev): -8.4649 -8.4647 -7.9607 -7.9605 -7.9582 -7.9577 -7.9550 -7.9543 -3.2874 -3.2868 -3.2265 -3.2259 -1.7058 -1.6984 -1.6040 -1.5955 -1.5552 -1.5495 -1.0084 -1.0010 0.2794 0.2799 0.4331 0.4374 0.5565 0.5690 0.6032 0.6211 0.7066 0.7176 0.7798 0.7870 0.8455 0.8681 1.1768 1.1787 1.4325 1.4455 1.4866 1.4893 1.7677 1.7838 1.8101 1.8142 2.0085 2.0409 2.1283 2.1340 2.2553 2.2742 2.4178 2.4195 2.8620 2.8697 2.8866 2.8898 3.4995 3.5280 4.1789 4.1954 4.2499 4.2592 5.2039 5.2058 6.9323 6.9558 7.7435 7.7617 7.8337 7.8744 8.0197 8.0220 8.0592 8.0751 k = 0.0286 0.0286-0.0000 ( 11603 PWs) bands (ev): -8.4671 -8.4669 -7.9595 -7.9593 -7.9570 -7.9566 -7.9546 -7.9542 -3.2871 -3.2867 -3.2264 -3.2259 -1.7038 -1.6989 -1.6025 -1.5968 -1.5552 -1.5512 -1.0121 -1.0071 0.2789 0.2793 0.4344 0.4373 0.5602 0.5685 0.6070 0.6196 0.7086 0.7166 0.7779 0.7826 0.8468 0.8622 1.1767 1.1778 1.4448 1.4535 1.4883 1.4901 1.7733 1.7842 1.8124 1.8153 2.0108 2.0326 2.1247 2.1303 2.2551 2.2665 2.4190 2.4204 2.8671 2.8716 2.8863 2.8879 3.5134 3.5323 4.2091 4.2175 4.2613 4.2647 5.1708 5.1722 6.9202 6.9359 7.7329 7.7451 7.8264 7.8536 8.0044 8.0070 8.0485 8.0586 k = 0.0143 0.0143-0.0000 ( 11593 PWs) bands (ev): -8.4684 -8.4683 -7.9588 -7.9586 -7.9563 -7.9561 -7.9543 -7.9541 -3.2869 -3.2867 -3.2262 -3.2260 -1.7021 -1.6997 -1.6009 -1.5981 -1.5547 -1.5527 -1.0139 -1.0113 0.2786 0.2788 0.4355 0.4370 0.5633 0.5674 0.6109 0.6174 0.7108 0.7150 0.7770 0.7793 0.8493 0.8571 1.1767 1.1772 1.4533 1.4577 1.4893 1.4904 1.7780 1.7835 1.8140 1.8155 2.0144 2.0253 2.1233 2.1267 2.2558 2.2611 2.4200 2.4208 2.8708 2.8727 2.8861 2.8868 3.5235 3.5329 4.2265 4.2296 4.2702 4.2707 5.1498 5.1506 6.9144 6.9223 7.7271 7.7332 7.8250 7.8386 7.9959 7.9976 8.0431 8.0480 k = 0.0000 0.0000 0.0000 ( 11633 PWs) bands (ev): -8.4688 -8.4688 -7.9585 -7.9585 -7.9560 -7.9560 -7.9541 -7.9541 -3.2868 -3.2868 -3.2261 -3.2261 -1.7007 -1.7007 -1.5995 -1.5995 -1.5539 -1.5539 -1.0136 -1.0136 0.2786 0.2786 0.4363 0.4363 0.5656 0.5656 0.6144 0.6144 0.7129 0.7129 0.7774 0.7774 0.8528 0.8528 1.1768 1.1768 1.4576 1.4576 1.4899 1.4899 1.7814 1.7814 1.8149 1.8149 2.0192 2.0192 2.1242 2.1242 2.2577 2.2577 2.4206 2.4206 2.8726 2.8726 2.8862 2.8862 3.5300 3.5300 4.2325 4.2325 4.2735 4.2735 5.1429 5.1429 6.9151 6.9151 7.7271 7.7271 7.8291 7.8291 7.9938 7.9938 8.0429 8.0429 k = 0.0000 0.0000 0.0000 ( 11633 PWs) bands (ev): -8.4688 -8.4688 -7.9585 -7.9585 -7.9560 -7.9560 -7.9541 -7.9541 -3.2868 -3.2868 -3.2261 -3.2261 -1.7007 -1.7007 -1.5995 -1.5995 -1.5539 -1.5539 -1.0136 -1.0136 0.2786 0.2786 0.4363 0.4363 0.5656 0.5656 0.6144 0.6144 0.7129 0.7129 0.7774 0.7774 0.8528 0.8528 1.1768 1.1768 1.4576 1.4576 1.4899 1.4899 1.7814 1.7814 1.8149 1.8149 2.0192 2.0192 2.1242 2.1242 2.2577 2.2577 2.4206 2.4206 2.8726 2.8726 2.8862 2.8862 3.5300 3.5300 4.2325 4.2325 4.2735 4.2735 5.1429 5.1429 6.9151 6.9151 7.7271 7.7271 7.8291 7.8291 7.9938 7.9938 8.0429 8.0429 k = 0.0000 0.0000 0.0200 ( 11589 PWs) bands (ev): -8.4683 -8.4682 -7.9587 -7.9585 -7.9564 -7.9561 -7.9544 -7.9541 -3.2869 -3.2866 -3.2263 -3.2260 -1.7024 -1.6990 -1.6016 -1.5976 -1.5553 -1.5524 -1.0144 -1.0108 0.2782 0.2784 0.4353 0.4374 0.5627 0.5685 0.6099 0.6191 0.7101 0.7161 0.7766 0.7798 0.8475 0.8584 1.1767 1.1773 1.4535 1.4599 1.4885 1.4900 1.7772 1.7850 1.8129 1.8150 2.0117 2.0270 2.1218 2.1267 2.2539 2.2612 2.4206 2.4217 2.8715 2.8740 2.8858 2.8870 3.5217 3.5349 4.2279 4.2312 4.2685 4.2690 5.1503 5.1515 6.9133 6.9243 7.7249 7.7335 7.8219 7.8408 7.9949 7.9972 8.0428 8.0497 k = 0.0000 0.0000 0.0400 ( 11593 PWs) bands (ev): -8.4670 -8.4668 -7.9594 -7.9590 -7.9572 -7.9569 -7.9546 -7.9544 -3.2870 -3.2864 -3.2266 -3.2260 -1.7039 -1.6972 -1.6040 -1.5960 -1.5564 -1.5508 -1.0131 -1.0060 0.2772 0.2777 0.4342 0.4382 0.5597 0.5711 0.6059 0.6237 0.7077 0.7189 0.7774 0.7835 0.8424 0.8642 1.1767 1.1781 1.4467 1.4601 1.4862 1.4884 1.7721 1.7880 1.8091 1.8127 2.0045 2.0347 2.1198 2.1290 2.2495 2.2649 2.4217 2.4238 2.8701 2.8757 2.8859 2.8886 3.5103 3.5364 4.2185 4.2199 4.2544 4.2585 5.1731 5.1757 6.9187 6.9407 7.7268 7.7440 7.8194 7.8564 8.0013 8.0047 8.0492 8.0634 k = 0.0000 0.0000 0.0600 ( 11596 PWs) bands (ev): -8.4647 -8.4644 -7.9612 -7.9608 -7.9580 -7.9579 -7.9545 -7.9544 -3.2871 -3.2861 -3.2270 -3.2261 -1.7054 -1.6954 -1.6067 -1.5946 -1.5572 -1.5493 -1.0098 -0.9993 0.2756 0.2764 0.4331 0.4388 0.5565 0.5733 0.6028 0.6284 0.7058 0.7210 0.7801 0.7883 0.8377 0.8702 1.1769 1.1792 1.4370 1.4579 1.4838 1.4854 1.7658 1.7905 1.8039 1.8081 1.9980 2.0420 2.1185 2.1304 2.2442 2.2691 2.4240 2.4270 2.8679 2.8764 2.8880 2.8915 3.4958 3.5342 4.1948 4.2027 4.2331 4.2494 5.2092 5.2136 6.9312 6.9643 7.7327 7.7585 7.8219 7.8752 8.0134 8.0160 8.0622 8.0842 k = 0.0000 0.0000 0.0800 ( 11604 PWs) bands (ev): -8.4615 -8.4611 -7.9647 -7.9642 -7.9586 -7.9582 -7.9544 -7.9542 -3.2871 -3.2858 -3.2275 -3.2264 -1.7067 -1.6936 -1.6096 -1.5934 -1.5577 -1.5478 -1.0045 -0.9909 0.2737 0.2746 0.4318 0.4390 0.5531 0.5747 0.6013 0.6333 0.7045 0.7223 0.7844 0.7940 0.8334 0.8763 1.1774 1.1807 1.4242 1.4522 1.4816 1.4822 1.7577 1.7927 1.7982 1.8014 1.9921 2.0485 2.1180 2.1307 2.2380 2.2739 2.4276 2.4316 2.8648 2.8751 2.8934 2.8962 3.4784 3.5282 4.1586 4.1769 4.2111 4.2407 5.2562 5.2628 6.9505 6.9947 7.7425 7.7768 7.8296 7.8963 8.0309 8.0319 8.0819 8.1122 k = 0.0000 0.0000 0.1000 ( 11588 PWs) bands (ev): -8.4574 -8.4569 -7.9695 -7.9689 -7.9591 -7.9586 -7.9542 -7.9538 -3.2870 -3.2855 -3.2280 -3.2267 -1.7079 -1.6918 -1.6126 -1.5923 -1.5579 -1.5465 -0.9971 -0.9808 0.2713 0.2724 0.4305 0.4389 0.5496 0.5751 0.6019 0.6387 0.7036 0.7226 0.7903 0.8003 0.8296 0.8825 1.1782 1.1829 1.4086 1.4421 1.4798 1.4800 1.7472 1.7921 1.7928 1.7952 1.9870 2.0538 2.1184 2.1294 2.2307 2.2793 2.4328 2.4379 2.8609 2.8726 2.9018 2.9027 3.4581 3.5183 4.1155 4.1410 4.1910 4.2306 5.3120 5.3210 6.9761 7.0314 7.7560 7.7982 7.8427 7.9188 8.0497 8.0577 8.1084 8.1473 k = 0.0000 0.0000 0.1200 ( 11592 PWs) bands (ev): -8.4524 -8.4518 -7.9753 -7.9746 -7.9594 -7.9589 -7.9539 -7.9535 -3.2870 -3.2851 -3.2286 -3.2272 -1.7090 -1.6902 -1.6156 -1.5914 -1.5578 -1.5453 -0.9880 -0.9693 0.2687 0.2699 0.4290 0.4382 0.5460 0.5745 0.6044 0.6447 0.7031 0.7222 0.7969 0.8069 0.8264 0.8885 1.1793 1.1856 1.3906 1.4274 1.4780 1.4785 1.7338 1.7815 1.7884 1.7970 1.9825 2.0574 2.1197 2.1265 2.2226 2.2846 2.4397 2.4466 2.8564 2.8693 2.9111 2.9129 3.4351 3.5044 4.0680 4.0994 4.1703 4.2181 5.3745 5.3861 7.0074 7.0739 7.7730 7.8218 7.8618 7.9416 8.0726 8.0911 8.1419 8.1892 k = 0.0000 0.0000 0.1400 ( 11576 PWs) bands (ev): -8.4466 -8.4459 -7.9822 -7.9813 -7.9597 -7.9592 -7.9536 -7.9532 -3.2869 -3.2846 -3.2292 -3.2277 -1.7100 -1.6887 -1.6184 -1.5905 -1.5573 -1.5443 -0.9771 -0.9564 0.2659 0.2672 0.4272 0.4369 0.5423 0.5738 0.6085 0.6516 0.7028 0.7212 0.8036 0.8136 0.8244 0.8943 1.1805 1.1890 1.3709 1.4090 1.4767 1.4774 1.7176 1.7689 1.7853 1.7992 1.9788 2.0590 2.1217 2.1219 2.2139 2.2892 2.4486 2.4584 2.8516 2.8656 2.9214 2.9267 3.4096 3.4863 4.0179 4.0548 4.1479 4.2030 5.4421 5.4564 7.0439 7.1216 7.7933 7.8466 7.8874 7.9645 8.1000 8.1323 8.1822 8.2379 k = 0.0000 0.0000 0.1600 ( 11568 PWs) bands (ev): -8.4398 -8.4390 -7.9901 -7.9891 -7.9600 -7.9595 -7.9533 -7.9528 -3.2868 -3.2842 -3.2299 -3.2284 -1.7108 -1.6876 -1.6208 -1.5898 -1.5566 -1.5434 -0.9646 -0.9424 0.2631 0.2643 0.4251 0.4349 0.5389 0.5733 0.6136 0.6594 0.7026 0.7197 0.8084 0.8200 0.8252 0.8998 1.1814 1.1930 1.3507 1.3875 1.4755 1.4764 1.6990 1.7547 1.7833 1.8015 1.9757 2.0584 2.1158 2.1240 2.2049 2.2920 2.4596 2.4737 2.8467 2.8618 2.9337 2.9432 3.3817 3.4643 3.9664 4.0088 4.1233 4.1852 5.5136 5.5306 7.0848 7.1736 7.8168 7.8722 7.9190 7.9876 8.1324 8.1810 8.2293 8.2929 k = 0.0000 0.0000 0.1800 ( 11564 PWs) bands (ev): -8.4323 -8.4314 -7.9989 -7.9977 -7.9603 -7.9598 -7.9530 -7.9525 -3.2866 -3.2837 -3.2305 -3.2291 -1.7116 -1.6868 -1.6228 -1.5891 -1.5556 -1.5427 -0.9507 -0.9273 0.2603 0.2615 0.4226 0.4321 0.5357 0.5733 0.6194 0.6682 0.7024 0.7179 0.8095 0.8258 0.8304 0.9048 1.1811 1.1975 1.3312 1.3635 1.4741 1.4755 1.6782 1.7392 1.7824 1.8041 1.9731 2.0555 2.1087 2.1261 2.1963 2.2925 2.4729 2.4931 2.8421 2.8582 2.9482 2.9624 3.3517 3.4385 3.9144 3.9624 4.0965 4.1646 5.5879 5.6076 7.1294 7.2290 7.8432 7.8985 7.9558 8.0112 8.1702 8.2366 8.2830 8.3541 k = 0.0000 0.0000 0.2000 ( 11560 PWs) bands (ev): -8.4239 -8.4229 -8.0086 -8.0073 -7.9606 -7.9600 -7.9526 -7.9522 -3.2865 -3.2832 -3.2312 -3.2299 -1.7123 -1.6864 -1.6242 -1.5886 -1.5545 -1.5420 -0.9356 -0.9115 0.2577 0.2588 0.4195 0.4285 0.5330 0.5738 0.6256 0.6780 0.7023 0.7161 0.8084 0.8309 0.8383 0.9092 1.1781 1.2023 1.3148 1.3377 1.4724 1.4746 1.6556 1.7227 1.7824 1.8069 1.9712 2.0504 2.1007 2.1273 2.1884 2.2903 2.4888 2.5166 2.8378 2.8549 2.9647 2.9842 3.3199 3.4091 3.8622 3.9161 4.0675 4.1412 5.6642 5.6865 7.1767 7.2866 7.8722 7.9259 7.9965 8.0357 8.2138 8.2986 8.3431 8.4212 k = 0.0000 0.0000 0.2200 ( 11552 PWs) bands (ev): -8.4147 -8.4136 -8.0191 -8.0177 -7.9609 -7.9603 -7.9523 -7.9518 -3.2863 -3.2828 -3.2319 -3.2307 -1.7128 -1.6866 -1.6250 -1.5882 -1.5533 -1.5413 -0.9195 -0.8950 0.2553 0.2563 0.4159 0.4243 0.5309 0.5748 0.6321 0.6886 0.7023 0.7143 0.8068 0.8349 0.8472 0.9131 1.1702 1.2069 1.3038 1.3111 1.4704 1.4738 1.6317 1.7054 1.7833 1.8097 1.9699 2.0432 2.0923 2.1273 2.1817 2.2854 2.5072 2.5438 2.8341 2.8521 2.9834 3.0086 3.2867 3.3767 3.8103 3.8700 4.0364 4.1152 5.7417 5.7663 7.2259 7.3454 7.9036 7.9541 8.0403 8.0612 8.2636 8.3664 8.4091 8.4938 k = 0.0000 0.0000 0.2400 ( 11556 PWs) bands (ev): -8.4048 -8.4036 -8.0304 -8.0288 -7.9611 -7.9606 -7.9520 -7.9515 -3.2861 -3.2823 -3.2325 -3.2316 -1.7133 -1.6872 -1.6251 -1.5880 -1.5519 -1.5407 -0.9026 -0.8782 0.2533 0.2541 0.4116 0.4194 0.5295 0.5762 0.6387 0.6984 0.7039 0.7129 0.8051 0.8377 0.8564 0.9162 1.1566 1.2102 1.2850 1.2998 1.4679 1.4728 1.6067 1.6877 1.7849 1.8124 1.9693 2.0341 2.0837 2.1259 2.1764 2.2782 2.5282 2.5742 2.8311 2.8501 3.0040 3.0354 3.2526 3.3418 3.7588 3.8244 4.0033 4.0867 5.8197 5.8464 7.2759 7.4040 7.9373 7.9829 8.0865 8.0881 8.3197 8.4394 8.4809 8.5716 k = 0.0000 0.0000 0.2600 ( 11576 PWs) bands (ev): -8.3941 -8.3929 -8.0424 -8.0408 -7.9613 -7.9608 -7.9517 -7.9513 -3.2859 -3.2819 -3.2331 -3.2324 -1.7136 -1.6883 -1.6246 -1.5879 -1.5504 -1.5400 -0.8852 -0.8612 0.2518 0.2524 0.4066 0.4138 0.5288 0.5776 0.6452 0.7006 0.7118 0.7140 0.8036 0.8393 0.8657 0.9185 1.1378 1.2098 1.2623 1.3024 1.4650 1.4717 1.5810 1.6698 1.7872 1.8148 1.9697 2.0235 2.0751 2.1232 2.1724 2.2691 2.5515 2.6073 2.8292 2.8491 3.0263 3.0644 3.2183 3.3051 3.7080 3.7790 3.9684 4.0556 5.8975 5.9261 7.3259 7.4608 7.9731 8.0123 8.1164 8.1342 8.3820 8.5171 8.5579 8.6540 k = 0.0000 0.0000 0.2800 ( 11588 PWs) bands (ev): -8.3828 -8.3815 -8.0550 -8.0534 -7.9615 -7.9611 -7.9514 -7.9510 -3.2856 -3.2815 -3.2337 -3.2333 -1.7138 -1.6897 -1.6235 -1.5880 -1.5489 -1.5394 -0.8676 -0.8443 0.2508 0.2512 0.4011 0.4076 0.5288 0.5791 0.6514 0.7005 0.7115 0.7269 0.8025 0.8398 0.8748 0.9200 1.1160 1.2000 1.2490 1.3100 1.4617 1.4704 1.5549 1.6521 1.7902 1.8165 1.9710 2.0119 2.0670 2.1194 2.1695 2.2584 2.5769 2.6425 2.8285 2.8493 3.0494 3.0952 3.1851 3.2676 3.6578 3.7338 3.9318 4.0223 5.9745 6.0045 7.3748 7.5142 8.0109 8.0420 8.1460 8.1827 8.4502 8.5986 8.6399 8.7406 k = 0.0000 0.0000 0.3000 ( 11588 PWs) bands (ev): -8.3708 -8.3694 -8.0683 -8.0666 -7.9617 -7.9613 -7.9511 -7.9507 -3.2854 -3.2812 -3.2343 -3.2341 -1.7139 -1.6913 -1.6220 -1.5883 -1.5474 -1.5387 -0.8500 -0.8277 0.2505 0.2505 0.3949 0.4010 0.5297 0.5804 0.6572 0.7003 0.7121 0.7404 0.8019 0.8392 0.8836 0.9202 1.0934 1.1804 1.2459 1.3209 1.4583 1.4688 1.5288 1.6349 1.7935 1.8176 1.9734 1.9999 2.0594 2.1150 2.1673 2.2467 2.6040 2.6789 2.8295 2.8511 3.0700 3.1265 3.1567 3.2310 3.6084 3.6887 3.8937 3.9868 6.0499 6.0808 7.4216 7.5628 8.0505 8.0719 8.1768 8.2313 8.5238 8.6832 8.7263 8.8307 k = 0.0000 0.0000 0.3200 ( 11576 PWs) bands (ev): -8.3583 -8.3568 -8.0821 -8.0803 -7.9619 -7.9615 -7.9509 -7.9505 -3.2851 -3.2809 -3.2349 -3.2349 -1.7139 -1.6932 -1.6201 -1.5888 -1.5458 -1.5381 -0.8326 -0.8116 0.2505 0.2507 0.3883 0.3940 0.5313 0.5813 0.6623 0.6999 0.7138 0.7540 0.8019 0.8377 0.8917 0.9188 1.0719 1.1575 1.2469 1.3337 1.4548 1.4666 1.5037 1.6183 1.7972 1.8179 1.9767 1.9881 2.0528 2.1101 2.1655 2.2343 2.6322 2.7154 2.8330 2.8548 3.0760 3.1455 3.1510 3.2031 3.5598 3.6436 3.8543 3.9495 6.1231 6.1544 7.4655 7.6052 8.0918 8.1021 8.2082 8.2788 8.6020 8.7695 8.8166 8.9233 k = 0.0000 0.0000 0.3400 ( 11576 PWs) bands (ev): -8.3452 -8.3436 -8.0964 -8.0945 -7.9621 -7.9617 -7.9506 -7.9503 -3.2848 -3.2807 -3.2356 -3.2354 -1.7138 -1.6951 -1.6180 -1.5894 -1.5443 -1.5375 -0.8159 -0.7964 0.2512 0.2516 0.3812 0.3865 0.5334 0.5817 0.6668 0.6994 0.7165 0.7674 0.8025 0.8356 0.8988 0.9150 1.0532 1.1350 1.2487 1.3471 1.4515 1.4619 1.4817 1.6024 1.8010 1.8174 1.9772 1.9803 2.0476 2.1050 2.1641 2.2216 2.6607 2.7498 2.8407 2.8609 3.0578 3.1383 3.1614 3.2147 3.5123 3.5984 3.8138 3.9104 6.1931 6.2242 7.5058 7.6403 8.1324 8.1345 8.2395 8.3240 8.6842 8.8561 8.9102 9.0172 k = 0.0000 0.0000 0.3600 ( 11592 PWs) bands (ev): -8.3316 -8.3300 -8.1111 -8.1092 -7.9622 -7.9619 -7.9504 -7.9501 -3.2845 -3.2806 -3.2362 -3.2359 -1.7136 -1.6971 -1.6158 -1.5903 -1.5429 -1.5369 -0.8000 -0.7824 0.2525 0.2532 0.3739 0.3789 0.5362 0.5815 0.6706 0.6987 0.7202 0.7797 0.8038 0.8337 0.9044 0.9085 1.0385 1.1144 1.2503 1.3595 1.4487 1.4489 1.4702 1.5871 1.8046 1.8164 1.9675 1.9833 2.0442 2.0998 2.1628 2.2092 2.6887 2.7782 2.8560 2.8700 3.0307 3.1058 3.1893 3.2488 3.4662 3.5532 3.7724 3.8697 6.2591 6.2893 7.5418 7.6676 8.1628 8.1780 8.2698 8.3654 8.7691 8.9410 9.0058 9.1108 k = 0.0000 0.0000 0.3800 ( 11576 PWs) bands (ev): -8.3176 -8.3159 -8.1261 -8.1241 -7.9623 -7.9620 -7.9502 -7.9500 -3.2841 -3.2805 -3.2368 -3.2363 -1.7132 -1.6990 -1.6135 -1.5912 -1.5415 -1.5364 -0.7852 -0.7697 0.2545 0.2554 0.3664 0.3711 0.5394 0.5807 0.6740 0.6979 0.7249 0.7895 0.8059 0.8333 0.8992 0.9080 1.0287 1.0966 1.2517 1.3676 1.4339 1.4466 1.4661 1.5725 1.8077 1.8150 1.9597 1.9847 2.0436 2.0949 2.1616 2.1975 2.7152 2.7975 2.8811 2.8826 3.0035 3.0723 3.2209 3.2868 3.4224 3.5086 3.7304 3.8278 6.3201 6.3485 7.5734 7.6872 8.1931 8.2214 8.2978 8.4015 8.8555 9.0214 9.1014 9.1998 k = 0.0000 0.0000 0.4000 ( 11548 PWs) bands (ev): -8.3032 -8.3015 -8.1412 -8.1393 -7.9624 -7.9622 -7.9500 -7.9498 -3.2838 -3.2806 -3.2372 -3.2367 -1.7127 -1.7008 -1.6111 -1.5924 -1.5403 -1.5360 -0.7719 -0.7586 0.2570 0.2581 0.3591 0.3633 0.5432 0.5792 0.6770 0.6969 0.7303 0.7946 0.8088 0.8363 0.8879 0.9092 1.0236 1.0819 1.2533 1.3651 1.4289 1.4454 1.4633 1.5585 1.8102 1.8136 1.9542 1.9838 2.0457 2.0902 2.1605 2.1867 2.7391 2.8098 2.8990 2.9110 2.9807 3.0410 3.2524 3.3250 3.3831 3.4659 3.6879 3.7848 6.3750 6.4009 7.6005 7.6994 8.2229 8.2635 8.3225 8.4307 8.9416 9.0932 9.1914 9.2531 k = 0.0000 0.0000 0.4200 ( 11564 PWs) bands (ev): -8.2886 -8.2869 -8.1565 -8.1546 -7.9625 -7.9623 -7.9499 -7.9497 -3.2834 -3.2807 -3.2376 -3.2371 -1.7121 -1.7026 -1.6088 -1.5937 -1.5391 -1.5357 -0.7604 -0.7495 0.2600 0.2612 0.3522 0.3559 0.5471 0.5771 0.6797 0.6957 0.7364 0.7941 0.8124 0.8433 0.8756 0.9078 1.0222 1.0700 1.2555 1.3518 1.4354 1.4451 1.4608 1.5447 1.8118 1.8124 1.9511 1.9808 2.0500 2.0859 2.1593 2.1773 2.7601 2.8186 2.9176 2.9283 2.9757 3.0144 3.2759 3.3564 3.3564 3.4315 3.6452 3.7409 6.4229 6.4451 7.6234 7.7053 8.2516 8.3023 8.3433 8.4514 9.0253 9.1493 9.2376 9.2504 k = 0.0000 0.0000 0.4400 ( 11564 PWs) bands (ev): -8.2740 -8.2723 -8.1716 -8.1697 -7.9625 -7.9624 -7.9498 -7.9497 -3.2830 -3.2809 -3.2378 -3.2374 -1.7114 -1.7042 -1.6065 -1.5951 -1.5381 -1.5355 -0.7508 -0.7425 0.2631 0.2642 0.3460 0.3491 0.5512 0.5745 0.6822 0.6943 0.7432 0.7896 0.8168 0.8525 0.8639 0.9040 1.0239 1.0605 1.2593 1.3342 1.4456 1.4473 1.4583 1.5310 1.8115 1.8125 1.9505 1.9763 2.0555 2.0820 2.1582 2.1696 2.7784 2.8254 2.9196 2.9326 2.9978 2.9991 3.2734 3.3523 3.3623 3.4347 3.6028 3.6964 6.4624 6.4802 7.6428 7.7057 8.2785 8.3324 8.3636 8.4627 9.1036 9.1797 9.2185 9.2698 k = 0.0000 0.0000 0.4600 ( 11568 PWs) bands (ev): -8.2598 -8.2582 -8.1861 -8.1844 -7.9625 -7.9624 -7.9497 -7.9496 -3.2826 -3.2812 -3.2379 -3.2376 -1.7105 -1.7057 -1.6043 -1.5967 -1.5373 -1.5355 -0.7433 -0.7377 0.2660 0.2669 0.3412 0.3434 0.5555 0.5713 0.6845 0.6926 0.7506 0.7830 0.8220 0.8522 0.8634 0.8982 1.0276 1.0525 1.2653 1.3163 1.4468 1.4555 1.4613 1.5173 1.8110 1.8125 1.9520 1.9710 2.0611 2.0784 2.1574 2.1638 2.7944 2.8293 2.9082 2.9320 3.0018 3.0246 3.2564 3.3192 3.3928 3.4687 3.5619 3.6517 6.4927 6.5050 7.6592 7.7019 8.3025 8.3458 8.3899 8.4643 9.1708 9.1874 9.2069 9.2857 k = 0.0000 0.0000 0.4800 ( 11580 PWs) bands (ev): -8.2472 -8.2460 -8.1985 -8.1972 -7.9625 -7.9625 -7.9496 -7.9496 -3.2822 -3.2815 -3.2380 -3.2378 -1.7095 -1.7071 -1.6022 -1.5984 -1.5366 -1.5357 -0.7382 -0.7354 0.2682 0.2687 0.3382 0.3394 0.5597 0.5677 0.6867 0.6908 0.7585 0.7751 0.8279 0.8429 0.8731 0.8908 1.0327 1.0453 1.2740 1.2998 1.4486 1.4531 1.4753 1.5035 1.8111 1.8120 1.9554 1.9653 2.0662 2.0747 2.1571 2.1599 2.8085 2.8280 2.9040 2.9203 3.0196 3.0384 3.2488 3.2851 3.4301 3.4955 3.5350 3.6072 6.5126 6.5189 7.6732 7.6947 8.3226 8.3459 8.4173 8.4564 9.1877 9.1910 9.2345 9.2890 k = 0.0000 0.0000 0.5000 ( 11524 PWs) bands (ev): -8.2406 -8.2406 -8.2039 -8.2039 -7.9625 -7.9625 -7.9496 -7.9496 -3.2818 -3.2818 -3.2379 -3.2379 -1.7084 -1.7084 -1.6002 -1.6002 -1.5360 -1.5360 -0.7356 -0.7356 0.2692 0.2692 0.3376 0.3376 0.5639 0.5639 0.6889 0.6889 0.7668 0.7668 0.8349 0.8349 0.8824 0.8824 1.0388 1.0388 1.2856 1.2856 1.4508 1.4508 1.4896 1.4896 1.8115 1.8115 1.9600 1.9600 2.0708 2.0708 2.1578 2.1578 2.8204 2.8204 2.9090 2.9090 3.0354 3.0354 3.2592 3.2592 3.4687 3.4687 3.5643 3.5643 6.5215 6.5215 7.6850 7.6850 8.3375 8.3375 8.4403 8.4403 9.1883 9.1883 9.2718 9.2718 k = 0.0000 0.0000 0.5000 ( 11524 PWs) bands (ev): -8.2406 -8.2406 -8.2039 -8.2039 -7.9625 -7.9625 -7.9496 -7.9496 -3.2818 -3.2818 -3.2379 -3.2379 -1.7084 -1.7084 -1.6002 -1.6002 -1.5360 -1.5360 -0.7356 -0.7356 0.2692 0.2692 0.3376 0.3376 0.5639 0.5639 0.6889 0.6889 0.7668 0.7668 0.8349 0.8349 0.8824 0.8824 1.0388 1.0388 1.2856 1.2856 1.4508 1.4508 1.4896 1.4896 1.8115 1.8115 1.9600 1.9600 2.0708 2.0708 2.1578 2.1578 2.8204 2.8204 2.9090 2.9090 3.0354 3.0354 3.2592 3.2592 3.4687 3.4687 3.5643 3.5643 6.5215 6.5215 7.6850 7.6850 8.3375 8.3375 8.4403 8.4403 9.1883 9.1883 9.2718 9.2718 k = 0.0000 0.0200 0.5000 ( 11576 PWs) bands (ev): -8.2405 -8.2403 -8.2038 -8.2036 -7.9629 -7.9627 -7.9500 -7.9497 -3.2832 -3.2805 -3.2382 -3.2376 -1.7111 -1.7058 -1.6012 -1.5991 -1.5362 -1.5357 -0.7370 -0.7352 0.2664 0.2719 0.3362 0.3385 0.5591 0.5683 0.6866 0.6898 0.7656 0.7674 0.8329 0.8365 0.8653 0.8996 1.0366 1.0419 1.2798 1.2923 1.4452 1.4543 1.4884 1.4902 1.8061 1.8165 1.9534 1.9671 2.0425 2.0993 2.1457 2.1782 2.8098 2.8265 2.9073 2.9094 3.0069 3.0648 3.2451 3.2745 3.4628 3.4709 3.5630 3.5683 6.5114 6.5287 7.6855 7.6897 8.3364 8.3445 8.4404 8.4410 9.1865 9.1902 9.2714 9.2716 k = 0.0000 0.0400 0.5000 ( 11576 PWs) bands (ev): -8.2399 -8.2394 -8.2031 -8.2027 -7.9639 -7.9633 -7.9508 -7.9503 -3.2845 -3.2792 -3.2384 -3.2373 -1.7138 -1.7032 -1.6018 -1.5978 -1.5362 -1.5353 -0.7396 -0.7361 0.2636 0.2746 0.3344 0.3390 0.5543 0.5725 0.6833 0.6895 0.7639 0.7674 0.8288 0.8379 0.8507 0.9160 1.0358 1.0457 1.2751 1.3000 1.4382 1.4557 1.4870 1.4903 1.8016 1.8196 1.9469 1.9761 2.0180 2.1116 2.1577 2.2037 2.7956 2.8275 2.9038 2.9088 2.9807 3.0939 3.2322 3.2909 3.4540 3.4686 3.5652 3.5742 6.4986 6.5330 7.6912 7.6992 8.3410 8.3568 8.4423 8.4426 9.1835 9.1929 9.2695 9.2719 k = 0.0000 0.0600 0.5000 ( 11582 PWs) bands (ev): -8.2387 -8.2380 -8.2019 -8.2014 -7.9653 -7.9645 -7.9522 -7.9514 -3.2858 -3.2779 -3.2386 -3.2370 -1.7164 -1.7008 -1.6021 -1.5963 -1.5360 -1.5347 -0.7432 -0.7380 0.2609 0.2770 0.3321 0.3392 0.5493 0.5763 0.6789 0.6881 0.7614 0.7665 0.8179 0.8392 0.8443 0.9312 1.0366 1.0498 1.2717 1.3085 1.4304 1.4549 1.4855 1.4900 1.7983 1.8192 1.9405 1.9868 1.9991 2.1067 2.1936 2.2335 2.7788 2.8225 2.8976 2.9080 2.9584 3.1211 3.2204 3.3076 3.4438 3.4619 3.5712 3.5816 6.4834 6.5342 7.7023 7.7133 8.3506 8.3723 8.4453 8.4481 9.1783 9.1973 9.2655 9.2737 k = 0.0000 0.0800 0.5000 ( 11574 PWs) bands (ev): -8.2371 -8.2362 -8.2002 -8.1995 -7.9673 -7.9662 -7.9540 -7.9529 -3.2871 -3.2768 -3.2387 -3.2366 -1.7189 -1.6986 -1.6021 -1.5947 -1.5356 -1.5340 -0.7479 -0.7411 0.2582 0.2793 0.3293 0.3391 0.5442 0.5796 0.6736 0.6855 0.7577 0.7642 0.8029 0.8405 0.8448 0.9451 1.0394 1.0540 1.2696 1.3175 1.4223 1.4521 1.4840 1.4892 1.7958 1.8148 1.9347 1.9770 2.0084 2.1004 2.2363 2.2672 2.7599 2.8113 2.8880 2.9077 2.9417 3.1427 3.2122 3.3224 3.4340 3.4512 3.5811 3.5902 6.4660 6.5323 7.7186 7.7316 8.3635 8.3865 8.4504 8.4625 9.1701 9.2036 9.2589 9.2778 k = 0.0000 0.1000 0.5000 ( 11580 PWs) bands (ev): -8.2350 -8.2338 -8.1980 -8.1972 -7.9697 -7.9684 -7.9562 -7.9550 -3.2883 -3.2757 -3.2388 -3.2362 -1.7212 -1.6967 -1.6016 -1.5931 -1.5350 -1.5333 -0.7535 -0.7452 0.2556 0.2814 0.3260 0.3387 0.5390 0.5820 0.6675 0.6819 0.7513 0.7602 0.7893 0.8419 0.8484 0.9575 1.0441 1.0582 1.2690 1.3271 1.4144 1.4476 1.4828 1.4879 1.7933 1.8069 1.9302 1.9615 2.0304 2.0955 2.2822 2.3039 2.7395 2.7942 2.8762 2.9086 2.9297 3.1500 3.2150 3.3314 3.4285 3.4372 3.5944 3.6001 6.4465 6.5273 7.7400 7.7537 8.3768 8.3947 8.4603 8.4900 9.1590 9.2123 9.2496 9.2845 k = 0.0000 0.1200 0.5000 ( 11588 PWs) bands (ev): -8.2324 -8.2310 -8.1953 -8.1943 -7.9727 -7.9711 -7.9590 -7.9575 -3.2894 -3.2748 -3.2387 -3.2358 -1.7233 -1.6952 -1.6008 -1.5914 -1.5342 -1.5325 -0.7598 -0.7503 0.2531 0.2831 0.3222 0.3380 0.5335 0.5835 0.6607 0.6776 0.7405 0.7540 0.7805 0.8440 0.8541 0.9683 1.0507 1.0622 1.2698 1.3369 1.4071 1.4422 1.4818 1.4863 1.7901 1.7968 1.9272 1.9468 2.0567 2.0921 2.3298 2.3433 2.7184 2.7720 2.8646 2.9117 2.9199 3.1397 3.2308 3.3298 3.4207 3.4314 3.6106 3.6116 6.4252 6.5192 7.7661 7.7791 8.3868 8.3972 8.4782 8.5301 9.1454 9.2228 9.2383 9.2936 k = 0.0000 0.1400 0.5000 ( 11586 PWs) bands (ev): -8.2294 -8.2277 -8.1922 -8.1910 -7.9761 -7.9743 -7.9622 -7.9604 -3.2904 -3.2741 -3.2386 -3.2354 -1.7252 -1.6940 -1.5995 -1.5898 -1.5333 -1.5316 -0.7669 -0.7563 0.2508 0.2846 0.3181 0.3370 0.5279 0.5838 0.6533 0.6726 0.7260 0.7455 0.7771 0.8470 0.8615 0.9775 1.0588 1.0659 1.2722 1.3469 1.4009 1.4364 1.4813 1.4845 1.7856 1.7856 1.9257 1.9327 2.0859 2.0905 2.3780 2.3846 2.6974 2.7463 2.8545 2.9105 2.9173 3.1196 3.2508 3.3176 3.4026 3.4425 3.6249 3.6295 6.4025 6.5081 7.7966 7.8072 8.3918 8.3966 8.5052 8.5801 9.1305 9.2212 9.2393 9.3050 k = 0.0000 0.1600 0.5000 ( 11584 PWs) bands (ev): -8.2259 -8.2240 -8.1886 -8.1872 -7.9800 -7.9779 -7.9658 -7.9638 -3.2913 -3.2736 -3.2384 -3.2351 -1.7268 -1.6931 -1.5978 -1.5881 -1.5321 -1.5307 -0.7746 -0.7631 0.2487 0.2856 0.3135 0.3356 0.5222 0.5827 0.6456 0.6672 0.7099 0.7348 0.7772 0.8510 0.8703 0.9853 1.0682 1.0692 1.2762 1.3566 1.3959 1.4308 1.4813 1.4826 1.7742 1.7794 1.9189 1.9251 2.0909 2.1171 2.4251 2.4270 2.6782 2.7186 2.8457 2.9011 2.9258 3.0941 3.2694 3.2985 3.3843 3.4574 3.6405 3.6505 6.3785 6.4940 7.8308 7.8377 8.3925 8.3941 8.5396 8.6380 9.1153 9.2057 9.2551 9.3187 k = 0.0000 0.1800 0.5000 ( 11582 PWs) bands (ev): -8.2219 -8.2199 -8.1845 -8.1830 -7.9843 -7.9820 -7.9698 -7.9677 -3.2920 -3.2732 -3.2381 -3.2347 -1.7282 -1.6927 -1.5958 -1.5865 -1.5308 -1.5298 -0.7827 -0.7706 0.2469 0.2862 0.3087 0.3339 0.5165 0.5798 0.6380 0.6616 0.6937 0.7223 0.7799 0.8560 0.8804 0.9916 1.0722 1.0783 1.2817 1.3659 1.3923 1.4260 1.4806 1.4817 1.7629 1.7717 1.9054 1.9246 2.0936 2.1493 2.4678 2.4697 2.6638 2.6902 2.8369 2.8926 2.9370 3.0648 3.2761 3.2825 3.3686 3.4726 3.6584 3.6731 6.3537 6.4772 7.8682 7.8701 8.3902 8.3907 8.5791 8.7022 9.1016 9.1887 9.2742 9.3344 k = 0.0000 0.2000 0.5000 ( 11596 PWs) bands (ev): -8.2176 -8.2153 -8.1800 -8.1783 -7.9891 -7.9865 -7.9743 -7.9719 -3.2927 -3.2730 -3.2377 -3.2343 -1.7292 -1.6926 -1.5935 -1.5849 -1.5294 -1.5290 -0.7912 -0.7786 0.2452 0.2863 0.3038 0.3317 0.5107 0.5750 0.6309 0.6558 0.6781 0.7084 0.7846 0.8619 0.8916 0.9966 1.0748 1.0886 1.2887 1.3740 1.3900 1.4227 1.4786 1.4827 1.7520 1.7626 1.8922 1.9237 2.0990 2.1818 2.4996 2.5114 2.6608 2.6621 2.8265 2.8869 2.9505 3.0325 3.2523 3.2852 3.3605 3.4860 3.6786 3.6970 6.3283 6.4578 7.9038 7.9081 8.3861 8.3866 8.6209 8.7709 9.0914 9.1725 9.2958 9.3522 k = 0.0000 0.2200 0.5000 ( 11604 PWs) bands (ev): -8.2128 -8.2104 -8.1751 -8.1733 -7.9942 -7.9915 -7.9791 -7.9766 -3.2931 -3.2730 -3.2373 -3.2339 -1.7300 -1.6928 -1.5909 -1.5833 -1.5281 -1.5280 -0.7999 -0.7870 0.2438 0.2857 0.2990 0.3290 0.5052 0.5683 0.6246 0.6498 0.6634 0.6937 0.7911 0.8686 0.9036 1.0005 1.0769 1.0987 1.2972 1.3805 1.3892 1.4215 1.4767 1.4841 1.7417 1.7525 1.8794 1.9218 2.1070 2.2141 2.5128 2.5497 2.6361 2.6767 2.8131 2.8859 2.9651 2.9981 3.2288 3.2756 3.3624 3.4969 3.7009 3.7215 6.3026 6.4362 7.9384 7.9496 8.3806 8.3820 8.6623 8.8405 9.0876 9.1604 9.3200 9.3720 k = 0.0000 0.2400 0.5000 ( 11628 PWs) bands (ev): -8.2077 -8.2051 -8.1698 -8.1679 -7.9997 -7.9968 -7.9843 -7.9817 -3.2935 -3.2732 -3.2368 -3.2335 -1.7305 -1.6934 -1.5882 -1.5817 -1.5272 -1.5264 -0.8086 -0.7956 0.2426 0.2841 0.2946 0.3258 0.4999 0.5598 0.6194 0.6434 0.6497 0.6790 0.7989 0.8758 0.9164 1.0033 1.0785 1.1082 1.3070 1.3848 1.3898 1.4230 1.4747 1.4859 1.7321 1.7417 1.8673 1.9189 2.1178 2.2454 2.5084 2.5756 2.6196 2.7104 2.7972 2.8899 2.9590 2.9826 3.2071 3.2592 3.3695 3.5049 3.7247 3.7461 6.2771 6.4126 7.9734 7.9920 8.3741 8.3772 8.6998 8.9040 9.0937 9.1594 9.3465 9.3938 k = 0.0000 0.2600 0.5000 ( 11628 PWs) bands (ev): -8.2023 -8.1996 -8.1641 -8.1621 -8.0055 -8.0024 -7.9899 -7.9871 -3.2937 -3.2736 -3.2362 -3.2332 -1.7307 -1.6942 -1.5853 -1.5802 -1.5263 -1.5249 -0.8172 -0.8044 0.2417 0.2812 0.2913 0.3220 0.4952 0.5503 0.6153 0.6360 0.6371 0.6655 0.8080 0.8836 0.9296 1.0053 1.0795 1.1169 1.3178 1.3874 1.3918 1.4267 1.4727 1.4878 1.7234 1.7306 1.8560 1.9150 2.1310 2.2756 2.4948 2.5683 2.6314 2.7530 2.7803 2.8991 2.9217 2.9959 3.1887 3.2422 3.3774 3.5099 3.7493 3.7706 6.2521 6.3875 8.0083 8.0343 8.3669 8.3722 8.7299 8.9482 9.1135 9.1824 9.3754 9.4176 k = 0.0000 0.2800 0.5000 ( 11616 PWs) bands (ev): -8.1965 -8.1937 -8.1581 -8.1559 -8.0116 -8.0084 -7.9958 -7.9929 -3.2937 -3.2742 -3.2357 -3.2328 -1.7307 -1.6953 -1.5825 -1.5787 -1.5255 -1.5234 -0.8256 -0.8132 0.2411 0.2772 0.2888 0.3177 0.4912 0.5401 0.6118 0.6258 0.6266 0.6545 0.8180 0.8917 0.9432 1.0064 1.0800 1.1243 1.3293 1.3890 1.3951 1.4317 1.4705 1.4896 1.7157 1.7197 1.8457 1.9104 2.1465 2.3042 2.4779 2.5476 2.6483 2.7645 2.7975 2.8835 2.9137 3.0065 3.1749 3.2288 3.3838 3.5120 3.7739 3.7943 6.2280 6.3612 8.0425 8.0756 8.3593 8.3671 8.7504 8.9640 9.1492 9.2382 9.4070 9.4432 k = 0.0000 0.3000 0.5000 ( 11612 PWs) bands (ev): -8.1905 -8.1876 -8.1518 -8.1495 -8.0179 -8.0146 -8.0020 -7.9990 -3.2937 -3.2749 -3.2351 -3.2325 -1.7303 -1.6966 -1.5797 -1.5772 -1.5246 -1.5220 -0.8337 -0.8218 0.2407 0.2727 0.2867 0.3129 0.4878 0.5298 0.6076 0.6149 0.6167 0.6465 0.8287 0.9001 0.9570 1.0068 1.0799 1.1303 1.3409 1.3908 1.3999 1.4369 1.4680 1.4911 1.7091 1.7093 1.8365 1.9051 2.1641 2.3309 2.4603 2.5266 2.6542 2.7516 2.8271 2.8582 2.9343 3.0126 3.1670 3.2220 3.3880 3.5113 3.7981 3.8168 6.2051 6.3341 8.0757 8.1153 8.3515 8.3620 8.7617 8.9590 9.2007 9.3176 9.4422 9.4706 k = 0.0000 0.3200 0.5000 ( 11598 PWs) bands (ev): -8.1843 -8.1812 -8.1452 -8.1427 -8.0244 -8.0210 -8.0085 -8.0054 -3.2934 -3.2757 -3.2345 -3.2322 -1.7297 -1.6981 -1.5771 -1.5757 -1.5238 -1.5207 -0.8413 -0.8301 0.2406 0.2682 0.2847 0.3076 0.4852 0.5200 0.6004 0.6020 0.6122 0.6409 0.8400 0.9084 0.9707 1.0067 1.0791 1.1346 1.3524 1.3931 1.4061 1.4416 1.4654 1.4920 1.7000 1.7036 1.8286 1.8994 2.1835 2.3554 2.4436 2.5076 2.6481 2.7407 2.7974 2.8860 2.9610 3.0160 3.1652 3.2231 3.3896 3.5078 3.8211 3.8380 6.1840 6.3067 8.1075 8.1524 8.3436 8.3571 8.7662 8.9442 9.2655 9.4046 9.4859 9.4996 k = 0.0000 0.3400 0.5000 ( 11602 PWs) bands (ev): -8.1779 -8.1748 -8.1383 -8.1358 -8.0311 -8.0276 -8.0153 -8.0120 -3.2931 -3.2767 -3.2339 -3.2319 -1.7289 -1.6997 -1.5747 -1.5743 -1.5230 -1.5195 -0.8483 -0.8380 0.2408 0.2639 0.2826 0.3021 0.4833 0.5108 0.5890 0.5917 0.6105 0.6366 0.8515 0.9167 0.9841 1.0062 1.0777 1.1373 1.3632 1.3961 1.4134 1.4456 1.4625 1.4919 1.6921 1.6992 1.8221 1.8933 2.2047 2.3771 2.4285 2.4913 2.6339 2.7291 2.7587 2.9083 2.9925 3.0251 3.1693 3.2314 3.3884 3.5017 3.8426 3.8574 6.1648 6.2794 8.1373 8.1864 8.3359 8.3523 8.7668 8.9253 9.3405 9.4750 9.5301 9.5560 k = 0.0000 0.3600 0.5000 ( 11614 PWs) bands (ev): -8.1714 -8.1683 -8.1312 -8.1286 -8.0377 -8.0342 -8.0223 -8.0189 -3.2925 -3.2777 -3.2334 -3.2317 -1.7278 -1.7015 -1.5730 -1.5725 -1.5221 -1.5185 -0.8547 -0.8454 0.2411 0.2600 0.2805 0.2965 0.4820 0.5026 0.5768 0.5830 0.6098 0.6331 0.8631 0.9244 0.9971 1.0056 1.0758 1.1381 1.3733 1.3999 1.4215 1.4485 1.4596 1.4907 1.6858 1.6959 1.8172 1.8867 2.2274 2.3953 2.4157 2.4781 2.6160 2.7158 2.7201 2.9094 3.0273 3.0484 3.1781 3.2445 3.3843 3.4930 3.8622 3.8748 6.1481 6.2527 8.1649 8.2168 8.3284 8.3479 8.7656 8.9049 9.4229 9.5219 9.5620 9.6560 k = 0.0000 0.3800 0.5000 ( 11618 PWs) bands (ev): -8.1649 -8.1619 -8.1239 -8.1212 -8.0443 -8.0408 -8.0295 -8.0260 -3.2919 -3.2788 -3.2329 -3.2315 -1.7265 -1.7034 -1.5717 -1.5707 -1.5213 -1.5177 -0.8603 -0.8521 0.2417 0.2566 0.2784 0.2910 0.4812 0.4955 0.5659 0.5748 0.6098 0.6301 0.8747 0.9314 1.0051 1.0093 1.0737 1.1371 1.3825 1.4045 1.4297 1.4501 1.4568 1.4886 1.6813 1.6933 1.8140 1.8799 2.2517 2.4055 2.4089 2.4685 2.5968 2.6828 2.7020 2.8942 3.0637 3.0818 3.1900 3.2602 3.3771 3.4816 3.8797 3.8900 6.1341 6.2272 8.1899 8.2431 8.3214 8.3438 8.7642 8.8843 9.5104 9.5617 9.5952 9.7671 k = 0.0000 0.4000 0.5000 ( 11612 PWs) bands (ev): -8.1586 -8.1557 -8.1164 -8.1137 -8.0507 -8.0472 -8.0369 -8.0333 -3.2912 -3.2800 -3.2325 -3.2313 -1.7250 -1.7053 -1.5705 -1.5691 -1.5205 -1.5171 -0.8650 -0.8581 0.2424 0.2537 0.2763 0.2858 0.4806 0.4896 0.5567 0.5673 0.6103 0.6274 0.8860 0.9370 1.0053 1.0201 1.0720 1.1343 1.3912 1.4096 1.4373 1.4504 1.4545 1.4857 1.6785 1.6913 1.8128 1.8727 2.2773 2.3981 2.4170 2.4623 2.5773 2.6473 2.6910 2.8713 3.1003 3.1179 3.2035 3.2767 3.3669 3.4677 3.8947 3.9030 6.1232 6.2032 8.2121 8.2652 8.3150 8.3401 8.7636 8.8642 9.5984 9.5996 9.6317 9.8783 k = 0.0000 0.4200 0.5000 ( 11618 PWs) bands (ev): -8.1526 -8.1499 -8.1089 -8.1061 -8.0567 -8.0533 -8.0443 -8.0407 -3.2903 -3.2812 -3.2321 -3.2312 -1.7234 -1.7074 -1.5693 -1.5679 -1.5197 -1.5167 -0.8689 -0.8632 0.2432 0.2514 0.2743 0.2811 0.4801 0.4849 0.5495 0.5605 0.6111 0.6250 0.8969 0.9408 1.0064 1.0282 1.0718 1.1297 1.3994 1.4150 1.4424 1.4491 1.4540 1.4823 1.6773 1.6895 1.8136 1.8651 2.3040 2.3938 2.4197 2.4588 2.5574 2.6144 2.6860 2.8448 3.1360 3.1524 3.2170 3.2933 3.3538 3.4514 3.9073 3.9136 6.1156 6.1812 8.2313 8.2825 8.3095 8.3369 8.7644 8.8453 9.6367 9.6563 9.6988 9.8809 k = 0.0000 0.4400 0.5000 ( 11602 PWs) bands (ev): -8.1471 -8.1448 -8.1013 -8.0986 -8.0620 -8.0589 -8.0518 -8.0481 -3.2894 -3.2824 -3.2318 -3.2311 -1.7216 -1.7094 -1.5684 -1.5671 -1.5189 -1.5165 -0.8718 -0.8675 0.2441 0.2496 0.2727 0.2772 0.4795 0.4815 0.5446 0.5545 0.6122 0.6228 0.9071 0.9421 1.0090 1.0322 1.0747 1.1237 1.4074 1.4204 1.4432 1.4462 1.4569 1.4789 1.6773 1.6878 1.8163 1.8573 2.3315 2.3927 2.4179 2.4561 2.5377 2.5847 2.6890 2.8171 3.1698 3.1828 3.2295 3.3096 3.3382 3.4330 3.9172 3.9218 6.1114 6.1616 8.2476 8.2930 8.3074 8.3341 8.7669 8.8279 9.6728 9.6911 9.7819 9.8614 k = 0.0000 0.4600 0.5000 ( 11584 PWs) bands (ev): -8.1425 -8.1408 -8.0937 -8.0912 -8.0663 -8.0635 -8.0590 -8.0554 -3.2883 -3.2837 -3.2315 -3.2311 -1.7197 -1.7115 -1.5676 -1.5666 -1.5182 -1.5165 -0.8736 -0.8707 0.2450 0.2483 0.2714 0.2741 0.4788 0.4793 0.5419 0.5494 0.6136 0.6207 0.9165 0.9410 1.0131 1.0318 1.0811 1.1163 1.4151 1.4256 1.4414 1.4419 1.4613 1.4756 1.6783 1.6859 1.8208 1.8493 2.3588 2.3949 2.4130 2.4510 2.5218 2.5587 2.6997 2.7895 3.2001 3.2068 3.2407 3.3152 3.3312 3.4127 3.9245 3.9275 6.1109 6.1449 8.2609 8.2923 8.3129 8.3315 8.7715 8.8122 9.7071 9.7223 9.8345 9.8480 k = 0.0000 0.4800 0.5000 ( 11588 PWs) bands (ev): -8.1393 -8.1383 -8.0867 -8.0847 -8.0693 -8.0676 -8.0647 -8.0619 -3.2872 -3.2849 -3.2313 -3.2311 -1.7178 -1.7136 -1.5670 -1.5664 -1.5175 -1.5167 -0.8745 -0.8730 0.2458 0.2473 0.2707 0.2720 0.4782 0.4782 0.5412 0.5453 0.6151 0.6187 0.9249 0.9374 1.0180 1.0283 1.0896 1.1079 1.4224 1.4300 1.4367 1.4386 1.4654 1.4724 1.6799 1.6839 1.8268 1.8414 2.3833 2.4020 2.4061 2.4388 2.5160 2.5374 2.7167 2.7628 3.2223 3.2227 3.2533 3.2955 3.3487 3.3912 3.9292 3.9306 6.1141 6.1312 8.2715 8.2870 8.3197 8.3286 8.7783 8.7987 9.7370 9.7469 9.8406 9.8438 k = 0.0000 0.5000 0.5000 ( 11576 PWs) bands (ev): -8.1378 -8.1378 -8.0821 -8.0821 -8.0707 -8.0707 -8.0657 -8.0657 -3.2861 -3.2861 -3.2312 -3.2312 -1.7157 -1.7157 -1.5666 -1.5666 -1.5170 -1.5170 -0.8743 -0.8743 0.2466 0.2466 0.2709 0.2709 0.4779 0.4779 0.5425 0.5425 0.6168 0.6168 0.9320 0.9320 1.0234 1.0234 1.0988 1.0988 1.4291 1.4291 1.4354 1.4354 1.4691 1.4691 1.6818 1.6818 1.8337 1.8337 2.3977 2.3977 2.4193 2.4193 2.5223 2.5223 2.7382 2.7382 3.2290 3.2290 3.2730 3.2730 3.3695 3.3695 3.9312 3.9312 6.1209 6.1209 8.2801 8.2801 8.3248 8.3248 8.7873 8.7873 9.7541 9.7541 9.8404 9.8404 k = 0.0000 0.5000 0.5000 ( 11576 PWs) bands (ev): -8.1378 -8.1378 -8.0821 -8.0821 -8.0707 -8.0707 -8.0657 -8.0657 -3.2861 -3.2861 -3.2312 -3.2312 -1.7157 -1.7157 -1.5666 -1.5666 -1.5170 -1.5170 -0.8743 -0.8743 0.2466 0.2466 0.2709 0.2709 0.4779 0.4779 0.5425 0.5425 0.6168 0.6168 0.9320 0.9320 1.0234 1.0234 1.0988 1.0988 1.4291 1.4291 1.4354 1.4354 1.4691 1.4691 1.6818 1.6818 1.8337 1.8337 2.3977 2.3977 2.4193 2.4193 2.5223 2.5223 2.7382 2.7382 3.2290 3.2290 3.2730 3.2730 3.3695 3.3695 3.9312 3.9312 6.1209 6.1209 8.2801 8.2801 8.3248 8.3248 8.7873 8.7873 9.7541 9.7541 9.8404 9.8404 k = 0.0200 0.5000 0.5000 ( 11592 PWs) bands (ev): -8.1377 -8.1377 -8.0822 -8.0822 -8.0706 -8.0706 -8.0656 -8.0656 -3.2860 -3.2860 -3.2311 -3.2311 -1.7156 -1.7156 -1.5665 -1.5665 -1.5170 -1.5170 -0.8748 -0.8748 0.2459 0.2459 0.2706 0.2706 0.4780 0.4780 0.5423 0.5423 0.6171 0.6171 0.9304 0.9304 1.0234 1.0234 1.0972 1.0972 1.4221 1.4221 1.4400 1.4400 1.4689 1.4689 1.6790 1.6790 1.8362 1.8362 2.3872 2.3872 2.4307 2.4307 2.5246 2.5246 2.7461 2.7461 3.2289 3.2289 3.2738 3.2738 3.3704 3.3704 3.9309 3.9309 6.1178 6.1178 8.2731 8.2731 8.3180 8.3180 8.7876 8.7876 9.7511 9.7511 9.8451 9.8451 k = 0.0400 0.5000 0.5000 ( 11580 PWs) bands (ev): -8.1375 -8.1375 -8.0823 -8.0823 -8.0706 -8.0706 -8.0656 -8.0656 -3.2859 -3.2859 -3.2310 -3.2310 -1.7153 -1.7153 -1.5664 -1.5664 -1.5169 -1.5169 -0.8761 -0.8761 0.2439 0.2439 0.2698 0.2698 0.4783 0.4783 0.5418 0.5418 0.6180 0.6180 0.9260 0.9260 1.0232 1.0232 1.0929 1.0929 1.4106 1.4106 1.4444 1.4444 1.4683 1.4683 1.6717 1.6717 1.8420 1.8420 2.3714 2.3714 2.4502 2.4502 2.5321 2.5321 2.7680 2.7680 3.2288 3.2288 3.2760 3.2760 3.3732 3.3732 3.9301 3.9301 6.1087 6.1087 8.2523 8.2523 8.2979 8.2979 8.7882 8.7882 9.7421 9.7421 9.8580 9.8580 k = 0.0600 0.5000 0.5000 ( 11596 PWs) bands (ev): -8.1372 -8.1372 -8.0825 -8.0825 -8.0705 -8.0705 -8.0655 -8.0655 -3.2858 -3.2858 -3.2308 -3.2308 -1.7147 -1.7147 -1.5661 -1.5661 -1.5168 -1.5168 -0.8784 -0.8784 0.2407 0.2407 0.2683 0.2683 0.4787 0.4787 0.5411 0.5411 0.6193 0.6193 0.9193 0.9193 1.0216 1.0216 1.0866 1.0866 1.3970 1.3970 1.4468 1.4468 1.4668 1.4668 1.6620 1.6620 1.8480 1.8480 2.3579 2.3579 2.4728 2.4728 2.5458 2.5458 2.8007 2.8007 3.2288 3.2288 3.2797 3.2797 3.3778 3.3778 3.9289 3.9289 6.0937 6.0937 8.2191 8.2191 8.2654 8.2654 8.7889 8.7889 9.7272 9.7272 9.8768 9.8768 k = 0.0800 0.5000 0.5000 ( 11588 PWs) bands (ev): -8.1367 -8.1367 -8.0827 -8.0827 -8.0704 -8.0704 -8.0654 -8.0654 -3.2855 -3.2855 -3.2306 -3.2306 -1.7140 -1.7140 -1.5658 -1.5658 -1.5167 -1.5167 -0.8816 -0.8816 0.2364 0.2364 0.2661 0.2661 0.4790 0.4790 0.5405 0.5405 0.6210 0.6210 0.9108 0.9108 1.0172 1.0172 1.0801 1.0801 1.3820 1.3820 1.4474 1.4474 1.4643 1.4643 1.6521 1.6521 1.8503 1.8503 2.3501 2.3501 2.4983 2.4983 2.5663 2.5663 2.8406 2.8406 3.2288 3.2288 3.2847 3.2847 3.3844 3.3844 3.9271 3.9271 6.0730 6.0730 8.1748 8.1748 8.2223 8.2223 8.7895 8.7895 9.7074 9.7074 9.9002 9.9002 k = 0.1000 0.5000 0.5000 ( 11592 PWs) bands (ev): -8.1361 -8.1361 -8.0831 -8.0831 -8.0702 -8.0702 -8.0652 -8.0652 -3.2852 -3.2852 -3.2303 -3.2303 -1.7130 -1.7130 -1.5654 -1.5654 -1.5166 -1.5166 -0.8855 -0.8855 0.2309 0.2309 0.2632 0.2632 0.4793 0.4793 0.5403 0.5403 0.6227 0.6227 0.9012 0.9012 1.0086 1.0086 1.0747 1.0747 1.3661 1.3661 1.4465 1.4465 1.4605 1.4605 1.6429 1.6429 1.8464 1.8464 2.3509 2.3509 2.5264 2.5264 2.5934 2.5934 2.8850 2.8850 3.2291 3.2291 3.2912 3.2912 3.3930 3.3930 3.9249 3.9249 6.0468 6.0468 8.1215 8.1215 8.1702 8.1702 8.7895 8.7895 9.6841 9.6841 9.9262 9.9262 k = 0.1200 0.5000 0.5000 ( 11608 PWs) bands (ev): -8.1354 -8.1354 -8.0835 -8.0835 -8.0700 -8.0700 -8.0651 -8.0651 -3.2849 -3.2849 -3.2299 -3.2299 -1.7118 -1.7118 -1.5649 -1.5649 -1.5164 -1.5164 -0.8902 -0.8902 0.2244 0.2244 0.2594 0.2594 0.4791 0.4791 0.5406 0.5406 0.6245 0.6245 0.8910 0.8910 0.9954 0.9954 1.0712 1.0712 1.3498 1.3498 1.4440 1.4440 1.4557 1.4557 1.6352 1.6352 1.8350 1.8350 2.3613 2.3613 2.5568 2.5568 2.6265 2.6265 2.9317 2.9317 3.2298 3.2298 3.2991 3.2991 3.4035 3.4035 3.9221 3.9221 6.0157 6.0157 8.0608 8.0608 8.1108 8.1108 8.7883 8.7883 9.6590 9.6590 9.9530 9.9530 k = 0.1400 0.5000 0.5000 ( 11608 PWs) bands (ev): -8.1345 -8.1345 -8.0840 -8.0840 -8.0698 -8.0698 -8.0649 -8.0649 -3.2845 -3.2845 -3.2295 -3.2295 -1.7105 -1.7105 -1.5643 -1.5643 -1.5162 -1.5162 -0.8955 -0.8955 0.2170 0.2170 0.2548 0.2548 0.4785 0.4785 0.5418 0.5418 0.6262 0.6262 0.8808 0.8808 0.9786 0.9786 1.0689 1.0689 1.3337 1.3337 1.4400 1.4400 1.4500 1.4500 1.6290 1.6290 1.8165 1.8165 2.3813 2.3813 2.5890 2.5890 2.6647 2.6647 2.9794 2.9794 3.2308 3.2308 3.3085 3.3085 3.4162 3.4162 3.9190 3.9190 5.9799 5.9799 7.9946 7.9946 8.0459 8.0459 8.7853 8.7853 9.6339 9.6339 9.9791 9.9791 k = 0.1600 0.5000 0.5000 ( 11616 PWs) bands (ev): -8.1336 -8.1336 -8.0846 -8.0846 -8.0695 -8.0695 -8.0646 -8.0646 -3.2840 -3.2840 -3.2290 -3.2290 -1.7089 -1.7089 -1.5636 -1.5636 -1.5160 -1.5160 -0.9015 -0.9015 0.2087 0.2087 0.2495 0.2495 0.4773 0.4773 0.5440 0.5440 0.6275 0.6275 0.8711 0.8711 0.9595 0.9595 1.0671 1.0671 1.3181 1.3181 1.4345 1.4345 1.4440 1.4440 1.6242 1.6242 1.7924 1.7924 2.4094 2.4094 2.6225 2.6225 2.7071 2.7071 3.0268 3.0268 3.2326 3.2326 3.3195 3.3195 3.4308 3.4308 3.9155 3.9155 5.9400 5.9400 7.9244 7.9244 7.9770 7.9770 8.7798 8.7798 9.6104 9.6104 10.0037 10.0037 k = 0.1800 0.5000 0.5000 ( 11624 PWs) bands (ev): -8.1325 -8.1325 -8.0853 -8.0853 -8.0693 -8.0693 -8.0644 -8.0644 -3.2835 -3.2835 -3.2285 -3.2285 -1.7073 -1.7073 -1.5629 -1.5629 -1.5159 -1.5159 -0.9078 -0.9078 0.1997 0.1997 0.2433 0.2433 0.4755 0.4755 0.5472 0.5472 0.6286 0.6286 0.8622 0.8622 0.9392 0.9392 1.0651 1.0651 1.3032 1.3032 1.4275 1.4275 1.4375 1.4375 1.6206 1.6206 1.7649 1.7649 2.4435 2.4435 2.6571 2.6571 2.7525 2.7525 3.0728 3.0728 3.2352 3.2352 3.3324 3.3324 3.4475 3.4475 3.9116 3.9116 5.8965 5.8965 7.8514 7.8514 7.9055 7.9055 8.7713 8.7713 9.5901 9.5901 10.0267 10.0267 k = 0.2000 0.5000 0.5000 ( 11624 PWs) bands (ev): -8.1313 -8.1313 -8.0861 -8.0861 -8.0690 -8.0690 -8.0641 -8.0641 -3.2830 -3.2830 -3.2279 -3.2279 -1.7055 -1.7055 -1.5621 -1.5621 -1.5157 -1.5157 -0.9146 -0.9146 0.1899 0.1899 0.2363 0.2363 0.4731 0.4731 0.5513 0.5513 0.6292 0.6292 0.8545 0.8545 0.9185 0.9185 1.0625 1.0625 1.2894 1.2894 1.4193 1.4193 1.4306 1.4306 1.6180 1.6180 1.7358 1.7358 2.4817 2.4817 2.6921 2.6921 2.8001 2.8001 3.1163 3.1163 3.2393 3.2393 3.3472 3.3472 3.4660 3.4660 3.9074 3.9074 5.8501 5.8501 7.7770 7.7770 7.8325 7.8325 8.7593 8.7593 9.5741 9.5741 10.0482 10.0482 k = 0.2200 0.5000 0.5000 ( 11596 PWs) bands (ev): -8.1300 -8.1300 -8.0869 -8.0869 -8.0687 -8.0687 -8.0638 -8.0638 -3.2824 -3.2824 -3.2274 -3.2274 -1.7036 -1.7036 -1.5612 -1.5612 -1.5156 -1.5156 -0.9216 -0.9216 0.1797 0.1797 0.2287 0.2287 0.4703 0.4703 0.5563 0.5563 0.6295 0.6295 0.8484 0.8484 0.8980 0.8980 1.0592 1.0592 1.2766 1.2766 1.4101 1.4101 1.4231 1.4231 1.6162 1.6162 1.7070 1.7070 2.5221 2.5221 2.7275 2.7275 2.8491 2.8491 3.1555 3.1555 3.2460 3.2460 3.3641 3.3641 3.4864 3.4864 3.9029 3.9029 5.8013 5.8013 7.7021 7.7021 7.7590 7.7590 8.7438 8.7438 9.5633 9.5633 10.0685 10.0685 k = 0.2400 0.5000 0.5000 ( 11588 PWs) bands (ev): -8.1287 -8.1287 -8.0878 -8.0878 -8.0684 -8.0684 -8.0635 -8.0635 -3.2819 -3.2819 -3.2268 -3.2268 -1.7016 -1.7016 -1.5603 -1.5603 -1.5155 -1.5155 -0.9287 -0.9287 0.1690 0.1690 0.2205 0.2205 0.4671 0.4671 0.5620 0.5620 0.6295 0.6295 0.8440 0.8440 0.8782 0.8782 1.0551 1.0551 1.2645 1.2645 1.3994 1.3994 1.4155 1.4155 1.6149 1.6149 1.6797 1.6797 2.5630 2.5630 2.7628 2.7628 2.8988 2.8988 3.1877 3.1877 3.2576 3.2576 3.3831 3.3831 3.5081 3.5081 3.8983 3.8983 5.7508 5.7508 7.6278 7.6278 7.6861 7.6861 8.7247 8.7247 9.5578 9.5578 10.0878 10.0878 k = 0.2600 0.5000 0.5000 ( 11592 PWs) bands (ev): -8.1272 -8.1272 -8.0888 -8.0888 -8.0680 -8.0680 -8.0632 -8.0632 -3.2813 -3.2813 -3.2262 -3.2262 -1.6995 -1.6995 -1.5594 -1.5594 -1.5154 -1.5154 -0.9359 -0.9359 0.1581 0.1581 0.2118 0.2118 0.4635 0.4635 0.5681 0.5681 0.6291 0.6291 0.8412 0.8412 0.8596 0.8596 1.0504 1.0504 1.2528 1.2528 1.3869 1.3869 1.4083 1.4083 1.6138 1.6138 1.6552 1.6552 2.6028 2.6028 2.7980 2.7980 2.9484 2.9484 3.2101 3.2101 3.2766 3.2766 3.4042 3.4042 3.5311 3.5311 3.8934 3.8934 5.6993 5.6993 7.5548 7.5548 7.6146 7.6146 8.7026 8.7026 9.5576 9.5576 10.1064 10.1064 k = 0.2800 0.5000 0.5000 ( 11608 PWs) bands (ev): -8.1257 -8.1257 -8.0899 -8.0899 -8.0677 -8.0677 -8.0630 -8.0630 -3.2807 -3.2807 -3.2256 -3.2256 -1.6974 -1.6974 -1.5585 -1.5585 -1.5154 -1.5154 -0.9430 -0.9430 0.1471 0.1471 0.2029 0.2029 0.4598 0.4598 0.5745 0.5745 0.6286 0.6286 0.8369 0.8369 0.8457 0.8457 1.0451 1.0451 1.2406 1.2406 1.3730 1.3730 1.4018 1.4018 1.6127 1.6127 1.6342 1.6342 2.6401 2.6401 2.8329 2.8329 2.9975 2.9975 3.2243 3.2243 3.3013 3.3013 3.4272 3.4272 3.5548 3.5548 3.8885 3.8885 5.6476 5.6476 7.4840 7.4840 7.5452 7.5452 8.6782 8.6782 9.5621 9.5621 10.1244 10.1244 k = 0.3000 0.5000 0.5000 ( 11592 PWs) bands (ev): -8.1241 -8.1241 -8.0911 -8.0911 -8.0674 -8.0674 -8.0627 -8.0627 -3.2801 -3.2801 -3.2250 -3.2250 -1.6953 -1.6953 -1.5576 -1.5576 -1.5154 -1.5154 -0.9499 -0.9499 0.1363 0.1363 0.1938 0.1938 0.4561 0.4561 0.5810 0.5810 0.6280 0.6280 0.8227 0.8227 0.8452 0.8452 1.0397 1.0397 1.2273 1.2273 1.3584 1.3584 1.3959 1.3959 1.6097 1.6097 1.6191 1.6191 2.6741 2.6741 2.8673 2.8673 3.0455 3.0455 3.2348 3.2348 3.3272 3.3272 3.4516 3.4516 3.5788 3.5788 3.8834 3.8834 5.5964 5.5964 7.4162 7.4162 7.4788 7.4788 8.6523 8.6523 9.5704 9.5704 10.1421 10.1421 k = 0.3200 0.5000 0.5000 ( 11596 PWs) bands (ev): -8.1225 -8.1225 -8.0923 -8.0923 -8.0672 -8.0672 -8.0624 -8.0624 -3.2796 -3.2796 -3.2245 -3.2245 -1.6933 -1.6933 -1.5567 -1.5567 -1.5155 -1.5155 -0.9564 -0.9564 0.1257 0.1257 0.1847 0.1847 0.4523 0.4523 0.5876 0.5876 0.6275 0.6275 0.8076 0.8076 0.8491 0.8491 1.0341 1.0341 1.2119 1.2119 1.3444 1.3444 1.3908 1.3908 1.5992 1.5992 1.6148 1.6148 2.7039 2.7039 2.9005 2.9005 3.0921 3.0921 3.2446 3.2446 3.3515 3.3515 3.4766 3.4766 3.6028 3.6028 3.8784 3.8784 5.5465 5.5465 7.3520 7.3520 7.4160 7.4160 8.6258 8.6258 9.5815 9.5815 10.1596 10.1596 k = 0.3400 0.5000 0.5000 ( 11596 PWs) bands (ev): -8.1208 -8.1208 -8.0936 -8.0936 -8.0669 -8.0669 -8.0621 -8.0621 -3.2791 -3.2791 -3.2239 -3.2239 -1.6914 -1.6914 -1.5558 -1.5558 -1.5156 -1.5156 -0.9626 -0.9626 0.1157 0.1157 0.1759 0.1759 0.4487 0.4487 0.5939 0.5939 0.6271 0.6271 0.7935 0.7935 0.8555 0.8555 1.0287 1.0287 1.1938 1.1938 1.3322 1.3322 1.3863 1.3863 1.5882 1.5882 1.6141 1.6141 2.7294 2.7294 2.9318 2.9318 3.1365 3.1365 3.2553 3.2553 3.3733 3.3733 3.5012 3.5012 3.6262 3.6262 3.8732 3.8732 5.4988 5.4988 7.2923 7.2923 7.3576 7.3576 8.5996 8.5996 9.5944 9.5944 10.1770 10.1770 k = 0.3600 0.5000 0.5000 ( 11580 PWs) bands (ev): -8.1191 -8.1191 -8.0949 -8.0949 -8.0666 -8.0666 -8.0619 -8.0619 -3.2786 -3.2786 -3.2234 -3.2234 -1.6895 -1.6895 -1.5550 -1.5550 -1.5157 -1.5157 -0.9683 -0.9683 0.1065 0.1065 0.1675 0.1675 0.4454 0.4454 0.6000 0.6000 0.6268 0.6268 0.7808 0.7808 0.8642 0.8642 1.0236 1.0236 1.1729 1.1729 1.3223 1.3223 1.3824 1.3824 1.5793 1.5793 1.6140 1.6140 2.7507 2.7507 2.9602 2.9602 3.1781 3.1781 3.2677 3.2677 3.3924 3.3924 3.5243 3.5243 3.6487 3.6487 3.8679 3.8679 5.4540 5.4540 7.2375 7.2375 7.3041 7.3041 8.5746 8.5746 9.6080 9.6080 10.1944 10.1944 k = 0.3800 0.5000 0.5000 ( 11580 PWs) bands (ev): -8.1173 -8.1173 -8.0964 -8.0964 -8.0664 -8.0664 -8.0617 -8.0617 -3.2782 -3.2782 -3.2230 -3.2230 -1.6878 -1.6878 -1.5542 -1.5542 -1.5159 -1.5159 -0.9734 -0.9734 0.0980 0.0980 0.1597 0.1597 0.4422 0.4422 0.6056 0.6056 0.6267 0.6267 0.7695 0.7695 0.8750 0.8750 1.0189 1.0189 1.1498 1.1498 1.3148 1.3148 1.3790 1.3790 1.5723 1.5723 1.6140 1.6140 2.7680 2.7680 2.9850 2.9850 3.2151 3.2151 3.2828 3.2828 3.4088 3.4088 3.5448 3.5448 3.6701 3.6701 3.8625 3.8625 5.4131 5.4131 7.1885 7.1885 7.2562 7.2562 8.5515 8.5515 9.6214 9.6214 10.2114 10.2114 k = 0.4000 0.5000 0.5000 ( 11608 PWs) bands (ev): -8.1156 -8.1156 -8.0978 -8.0978 -8.0662 -8.0662 -8.0615 -8.0615 -3.2778 -3.2778 -3.2226 -3.2226 -1.6863 -1.6863 -1.5536 -1.5536 -1.5161 -1.5161 -0.9778 -0.9778 0.0906 0.0906 0.1528 0.1528 0.4395 0.4395 0.6106 0.6106 0.6268 0.6268 0.7595 0.7595 0.8878 0.8878 1.0147 1.0147 1.1251 1.1251 1.3094 1.3094 1.3762 1.3762 1.5669 1.5669 1.6140 1.6140 2.7818 2.7818 3.0057 3.0057 3.2456 3.2456 3.3016 3.3016 3.4229 3.4229 3.5614 3.5614 3.6901 3.6901 3.8569 3.8569 5.3767 5.3767 7.1458 7.1458 7.2145 7.2145 8.5309 8.5309 9.6338 9.6338 10.2278 10.2278 k = 0.4200 0.5000 0.5000 ( 11620 PWs) bands (ev): -8.1139 -8.1139 -8.0994 -8.0994 -8.0660 -8.0660 -8.0613 -8.0613 -3.2775 -3.2775 -3.2223 -3.2223 -1.6850 -1.6850 -1.5530 -1.5530 -1.5162 -1.5162 -0.9815 -0.9815 0.0844 0.0844 0.1469 0.1469 0.4371 0.4371 0.6148 0.6148 0.6270 0.6270 0.7512 0.7512 0.9024 0.9024 1.0110 1.0110 1.1000 1.1000 1.3056 1.3056 1.3739 1.3739 1.5628 1.5628 1.6140 1.6140 2.7926 2.7926 3.0221 3.0221 3.2683 3.2683 3.3233 3.3233 3.4355 3.4355 3.5737 3.5737 3.7083 3.7083 3.8512 3.8512 5.3458 5.3458 7.1100 7.1100 7.1795 7.1795 8.5133 8.5133 9.6446 9.6446 10.2429 10.2429 k = 0.4400 0.5000 0.5000 ( 11604 PWs) bands (ev): -8.1121 -8.1121 -8.1009 -8.1009 -8.0659 -8.0659 -8.0612 -8.0612 -3.2773 -3.2773 -3.2220 -3.2220 -1.6840 -1.6840 -1.5526 -1.5526 -1.5164 -1.5164 -0.9845 -0.9845 0.0794 0.0794 0.1421 0.1421 0.4353 0.4353 0.6183 0.6183 0.6273 0.6273 0.7445 0.7445 0.9185 0.9185 1.0078 1.0078 1.0756 1.0756 1.3031 1.3031 1.3722 1.3722 1.5599 1.5599 1.6141 1.6141 2.8006 2.8006 3.0343 3.0343 3.2844 3.2844 3.3440 3.3440 3.4472 3.4472 3.5813 3.5813 3.7242 3.7242 3.8458 3.8458 5.3210 5.3210 7.0816 7.0816 7.1518 7.1518 8.4993 8.4993 9.6535 9.6535 10.2558 10.2558 k = 0.4600 0.5000 0.5000 ( 11620 PWs) bands (ev): -8.1105 -8.1105 -8.1024 -8.1024 -8.0658 -8.0658 -8.0611 -8.0611 -3.2771 -3.2771 -3.2219 -3.2219 -1.6832 -1.6832 -1.5522 -1.5522 -1.5165 -1.5165 -0.9866 -0.9866 0.0757 0.0757 0.1386 0.1386 0.4340 0.4340 0.6207 0.6207 0.6278 0.6278 0.7396 0.7396 0.9352 0.9352 1.0048 1.0048 1.0534 1.0534 1.3015 1.3015 1.3708 1.3708 1.5579 1.5579 1.6141 1.6141 2.8061 2.8061 3.0427 3.0427 3.2956 3.2956 3.3599 3.3599 3.4580 3.4580 3.5848 3.5848 3.7368 3.7368 3.8409 3.8409 5.3028 5.3028 7.0610 7.0610 7.1317 7.1317 8.4890 8.4890 9.6599 9.6599 10.2659 10.2659 k = 0.4800 0.5000 0.5000 ( 11636 PWs) bands (ev): -8.1091 -8.1091 -8.1037 -8.1037 -8.0658 -8.0658 -8.0610 -8.0610 -3.2770 -3.2770 -3.2217 -3.2217 -1.6828 -1.6828 -1.5520 -1.5520 -1.5165 -1.5165 -0.9879 -0.9879 0.0735 0.0735 0.1365 0.1365 0.4331 0.4331 0.6221 0.6221 0.6281 0.6281 0.7365 0.7365 0.9504 0.9504 1.0013 1.0013 1.0365 1.0365 1.3006 1.3006 1.3701 1.3701 1.5567 1.5567 1.6141 1.6141 2.8093 2.8093 3.0475 3.0475 3.3024 3.3024 3.3693 3.3693 3.4663 3.4663 3.5857 3.5857 3.7452 3.7452 3.8374 3.8374 5.2918 5.2918 7.0485 7.0485 7.1195 7.1195 8.4827 8.4827 9.6639 9.6639 10.2723 10.2723 k = 0.5000 0.5000 0.5000 ( 11656 PWs) bands (ev): -8.1084 -8.1084 -8.1043 -8.1043 -8.0657 -8.0657 -8.0610 -8.0610 -3.2769 -3.2769 -3.2217 -3.2217 -1.6826 -1.6826 -1.5520 -1.5520 -1.5166 -1.5166 -0.9883 -0.9883 0.0728 0.0728 0.1358 0.1358 0.4328 0.4328 0.6225 0.6225 0.6283 0.6283 0.7354 0.7354 0.9577 0.9577 0.9986 0.9986 1.0299 1.0299 1.3003 1.3003 1.3698 1.3698 1.5563 1.5563 1.6141 1.6141 2.8104 2.8104 3.0491 3.0491 3.3046 3.3046 3.3723 3.3723 3.4695 3.4695 3.5857 3.5857 3.7482 3.7482 3.8360 3.8360 5.2880 5.2880 7.0443 7.0443 7.1154 7.1154 8.4806 8.4806 9.6652 9.6652 10.2745 10.2745 k = 0.5000 0.5000 0.5000 ( 11656 PWs) bands (ev): -8.1084 -8.1084 -8.1043 -8.1043 -8.0657 -8.0657 -8.0610 -8.0610 -3.2769 -3.2769 -3.2217 -3.2217 -1.6826 -1.6826 -1.5520 -1.5520 -1.5166 -1.5166 -0.9883 -0.9883 0.0728 0.0728 0.1358 0.1358 0.4328 0.4328 0.6225 0.6225 0.6283 0.6283 0.7354 0.7354 0.9577 0.9577 0.9986 0.9986 1.0299 1.0299 1.3003 1.3003 1.3698 1.3698 1.5563 1.5563 1.6141 1.6141 2.8104 2.8104 3.0491 3.0491 3.3046 3.3046 3.3723 3.3723 3.4695 3.4695 3.5857 3.5857 3.7482 3.7482 3.8360 3.8360 5.2880 5.2880 7.0443 7.0443 7.1154 7.1154 8.4806 8.4806 9.6652 9.6652 10.2745 10.2745 k = 0.4857 0.4857 0.5000 ( 11636 PWs) bands (ev): -8.1089 -8.1088 -8.1042 -8.1040 -8.0658 -8.0655 -8.0610 -8.0609 -3.2774 -3.2766 -3.2221 -3.2214 -1.6835 -1.6821 -1.5522 -1.5520 -1.5183 -1.5148 -0.9887 -0.9864 0.0732 0.0737 0.1350 0.1381 0.4328 0.4331 0.6162 0.6261 0.6276 0.6313 0.7342 0.7375 0.9531 0.9546 0.9971 1.0021 1.0338 1.0359 1.2942 1.3066 1.3697 1.3708 1.5552 1.5580 1.6140 1.6145 2.8009 2.8156 3.0395 3.0557 3.2979 3.3051 3.3627 3.3786 3.4547 3.4802 3.5840 3.5872 3.7380 3.7510 3.8312 3.8431 5.2889 5.2958 7.0440 7.0527 7.1167 7.1221 8.4816 8.4849 9.6535 9.6757 10.2600 10.2848 k = 0.4714 0.4714 0.5000 ( 11618 PWs) bands (ev): -8.1100 -8.1100 -8.1038 -8.1035 -8.0657 -8.0651 -8.0608 -8.0607 -3.2779 -3.2763 -3.2226 -3.2212 -1.6846 -1.6819 -1.5526 -1.5523 -1.5200 -1.5130 -0.9876 -0.9830 0.0750 0.0759 0.1359 0.1418 0.4331 0.4336 0.6096 0.6260 0.6269 0.6374 0.7340 0.7403 0.9427 0.9473 0.9951 1.0085 1.0439 1.0506 1.2884 1.3128 1.3706 1.3724 1.5546 1.5602 1.6143 1.6151 2.7875 2.8164 3.0274 3.0584 3.2836 3.3002 3.3501 3.3811 3.4408 3.4831 3.5821 3.5885 3.7217 3.7473 3.8287 3.8506 5.2987 5.3118 7.0516 7.0691 7.1258 7.1367 8.4877 8.4944 9.6407 9.6846 10.2418 10.2902 k = 0.4571 0.4571 0.5000 ( 11614 PWs) bands (ev): -8.1116 -8.1115 -8.1034 -8.1031 -8.0654 -8.0645 -8.0605 -8.0602 -3.2785 -3.2761 -3.2231 -3.2211 -1.6861 -1.6820 -1.5533 -1.5528 -1.5216 -1.5113 -0.9848 -0.9782 0.0780 0.0795 0.1385 0.1469 0.4337 0.4342 0.6029 0.6249 0.6260 0.6440 0.7346 0.7437 0.9301 0.9388 0.9933 1.0165 1.0579 1.0701 1.2832 1.3186 1.3725 1.3749 1.5544 1.5628 1.6149 1.6159 2.7702 2.8123 3.0138 3.0566 3.2592 3.2923 3.3332 3.3809 3.4309 3.4768 3.5785 3.5893 3.7013 3.7395 3.8272 3.8569 5.3172 5.3355 7.0670 7.0932 7.1426 7.1589 8.4989 8.5091 9.6268 9.6913 10.2202 10.2896 k = 0.4429 0.4429 0.5000 ( 11622 PWs) bands (ev): -8.1136 -8.1134 -8.1033 -8.1029 -8.0649 -8.0636 -8.0600 -8.0594 -3.2791 -3.2759 -3.2237 -3.2210 -1.6879 -1.6824 -1.5542 -1.5534 -1.5231 -1.5098 -0.9805 -0.9720 0.0822 0.0844 0.1426 0.1532 0.4346 0.4350 0.5965 0.6232 0.6251 0.6507 0.7359 0.7475 0.9176 0.9303 0.9924 1.0252 1.0743 1.0919 1.2786 1.3238 1.3747 1.3792 1.5548 1.5660 1.6162 1.6170 2.7490 2.8031 2.9990 3.0495 3.2253 3.2831 3.3123 3.3796 3.4235 3.4625 3.5710 3.5890 3.6790 3.7305 3.8252 3.8612 5.3439 5.3660 7.0896 7.1246 7.1664 7.1883 8.5150 8.5288 9.6117 9.6953 10.1952 10.2827 k = 0.4286 0.4286 0.5000 ( 11606 PWs) bands (ev): -8.1161 -8.1157 -8.1036 -8.1030 -8.0642 -8.0623 -8.0591 -8.0583 -3.2799 -3.2758 -3.2244 -3.2211 -1.6900 -1.6830 -1.5553 -1.5542 -1.5244 -1.5085 -0.9747 -0.9647 0.0874 0.0906 0.1482 0.1605 0.4356 0.4365 0.5905 0.6213 0.6243 0.6575 0.7378 0.7518 0.9058 0.9224 0.9932 1.0342 1.0921 1.1147 1.2750 1.3280 1.3770 1.3858 1.5557 1.5699 1.6181 1.6190 2.7240 2.7886 2.9833 3.0366 3.1846 3.2717 3.2911 3.3762 3.4147 3.4435 3.5583 3.5866 3.6571 3.7220 3.8218 3.8628 5.3781 5.4025 7.1189 7.1627 7.1969 7.2244 8.5358 8.5534 9.5951 9.6957 10.1669 10.2696 k = 0.4143 0.4143 0.5000 ( 11586 PWs) bands (ev): -8.1189 -8.1184 -8.1044 -8.1036 -8.0631 -8.0606 -8.0580 -8.0567 -3.2807 -3.2758 -3.2251 -3.2213 -1.6924 -1.6837 -1.5566 -1.5552 -1.5257 -1.5074 -0.9675 -0.9563 0.0935 0.0981 0.1553 0.1686 0.4366 0.4386 0.5851 0.6191 0.6236 0.6644 0.7399 0.7568 0.8951 0.9151 0.9956 1.0432 1.1105 1.1377 1.2724 1.3316 1.3793 1.3947 1.5573 1.5744 1.6205 1.6229 2.6954 2.7687 2.9663 3.0174 3.1403 3.2536 3.2759 3.3655 3.4018 3.4268 3.5401 3.5812 3.6376 3.7146 3.8168 3.8617 5.4187 5.4442 7.1542 7.2068 7.2334 7.2665 8.5608 8.5827 9.5769 9.6919 10.1354 10.2506 k = 0.4000 0.4000 0.5000 ( 11590 PWs) bands (ev): -8.1223 -8.1215 -8.1057 -8.1048 -8.0615 -8.0584 -8.0563 -8.0547 -3.2815 -3.2757 -3.2259 -3.2216 -1.6949 -1.6846 -1.5582 -1.5561 -1.5268 -1.5066 -0.9589 -0.9469 0.1003 0.1068 0.1635 0.1774 0.4376 0.4413 0.5806 0.6169 0.6230 0.6711 0.7420 0.7623 0.8854 0.9085 0.9999 1.0520 1.1288 1.1601 1.2712 1.3346 1.3816 1.4053 1.5593 1.5794 1.6240 1.6289 2.6634 2.7436 2.9473 2.9916 3.0957 3.2303 3.2662 3.3387 3.3908 3.4148 3.5167 3.5722 3.6218 3.7079 3.8101 3.8580 5.4648 5.4906 7.1947 7.2557 7.2755 7.3140 8.5897 8.6162 9.5569 9.6833 10.1010 10.2258 k = 0.3857 0.3857 0.5000 ( 11596 PWs) bands (ev): -8.1260 -8.1250 -8.1076 -8.1065 -8.0594 -8.0557 -8.0543 -8.0523 -3.2824 -3.2758 -3.2266 -3.2219 -1.6976 -1.6856 -1.5598 -1.5572 -1.5279 -1.5061 -0.9492 -0.9366 0.1078 0.1165 0.1728 0.1865 0.4387 0.4448 0.5772 0.6148 0.6227 0.6778 0.7441 0.7686 0.8769 0.9025 1.0060 1.0603 1.1466 1.1813 1.2714 1.3376 1.3839 1.4169 1.5615 1.5849 1.6298 1.6376 2.6286 2.7133 2.9249 2.9597 3.0538 3.2062 3.2578 3.2992 3.3827 3.4043 3.4890 3.5601 3.6098 3.7013 3.8020 3.8518 5.5150 5.5410 7.2394 7.3071 7.3237 7.3661 8.6218 8.6537 9.5350 9.6696 10.0636 10.1948 k = 0.3714 0.3714 0.5000 ( 11586 PWs) bands (ev): -8.1302 -8.1290 -8.1101 -8.1089 -8.0568 -8.0526 -8.0517 -8.0494 -3.2833 -3.2758 -3.2274 -3.2223 -1.7004 -1.6867 -1.5617 -1.5583 -1.5288 -1.5059 -0.9383 -0.9257 0.1159 0.1272 0.1829 0.1959 0.4400 0.4489 0.5751 0.6128 0.6226 0.6843 0.7460 0.7756 0.8694 0.8971 1.0139 1.0680 1.1634 1.2006 1.2735 1.3408 1.3861 1.4287 1.5638 1.5904 1.6394 1.6496 2.5915 2.6780 2.8978 2.9226 3.0167 3.1822 3.2445 3.2586 3.3731 3.3942 3.4582 3.5464 3.6001 3.6944 3.7927 3.8435 5.5681 5.5950 7.2876 7.3586 7.3789 7.4220 8.6565 8.6946 9.5116 9.6512 10.0227 10.1568 k = 0.3571 0.3571 0.5000 ( 11602 PWs) bands (ev): -8.1347 -8.1333 -8.1131 -8.1118 -8.0538 -8.0492 -8.0486 -8.0462 -3.2843 -3.2758 -3.2283 -3.2228 -1.7033 -1.6877 -1.5636 -1.5595 -1.5297 -1.5061 -0.9266 -0.9142 0.1244 0.1386 0.1935 0.2054 0.4415 0.4537 0.5745 0.6110 0.6228 0.6907 0.7480 0.7830 0.8627 0.8924 1.0231 1.0746 1.1793 1.2172 1.2776 1.3444 1.3883 1.4398 1.5658 1.5953 1.6542 1.6652 2.5530 2.6379 2.8651 2.8825 2.9848 3.1567 3.2031 3.2447 3.3596 3.3846 3.4260 3.5324 3.5913 3.6865 3.7822 3.8333 5.6230 5.6522 7.3382 7.4097 7.4396 7.4810 8.6929 8.7384 9.4871 9.6286 9.9768 10.1087 k = 0.3429 0.3429 0.5000 ( 11598 PWs) bands (ev): -8.1397 -8.1380 -8.1166 -8.1152 -8.0502 -8.0456 -8.0448 -8.0425 -3.2852 -3.2758 -3.2291 -3.2233 -1.7061 -1.6887 -1.5657 -1.5608 -1.5305 -1.5065 -0.9141 -0.9023 0.1333 0.1505 0.2044 0.2150 0.4434 0.4592 0.5755 0.6096 0.6233 0.6969 0.7502 0.7906 0.8569 0.8885 1.0328 1.0804 1.1942 1.2307 1.2840 1.3483 1.3906 1.4495 1.5677 1.5995 1.6752 1.6847 2.5140 2.5936 2.8264 2.8425 2.9568 3.1222 3.1646 3.2356 3.3418 3.3734 3.3953 3.5188 3.5827 3.6777 3.7708 3.8216 5.6789 5.7118 7.3902 7.4609 7.5037 7.5425 8.7298 8.7843 9.4621 9.6030 9.9249 10.0477 k = 0.3286 0.3286 0.5000 ( 11602 PWs) bands (ev): -8.1449 -8.1430 -8.1206 -8.1190 -8.0463 -8.0418 -8.0406 -8.0385 -3.2861 -3.2759 -3.2300 -3.2239 -1.7089 -1.6897 -1.5679 -1.5622 -1.5311 -1.5072 -0.9012 -0.8901 0.1426 0.1628 0.2151 0.2248 0.4456 0.4651 0.5781 0.6085 0.6240 0.7029 0.7527 0.7983 0.8517 0.8855 1.0418 1.0862 1.2085 1.2408 1.2927 1.3523 1.3930 1.4576 1.5696 1.6033 1.7021 1.7076 2.4754 2.5461 2.7825 2.8045 2.9309 3.0742 3.1395 3.2256 3.3196 3.3525 3.3752 3.5060 3.5737 3.6677 3.7586 3.8087 5.7353 5.7733 7.4427 7.5119 7.5697 7.6058 8.7661 8.8315 9.4375 9.5756 9.8664 9.9780 k = 0.3143 0.3143 0.5000 ( 11614 PWs) bands (ev): -8.1503 -8.1482 -8.1248 -8.1232 -8.0421 -8.0377 -8.0360 -8.0341 -3.2869 -3.2759 -3.2309 -3.2245 -1.7116 -1.6905 -1.5701 -1.5637 -1.5317 -1.5081 -0.8879 -0.8778 0.1520 0.1752 0.2252 0.2348 0.4482 0.4713 0.5825 0.6078 0.6249 0.7088 0.7556 0.8055 0.8470 0.8837 1.0480 1.0932 1.2220 1.2480 1.3034 1.3562 1.3957 1.4641 1.5720 1.6072 1.7334 1.7341 2.4383 2.4965 2.7360 2.7680 2.9057 3.0208 3.1207 3.2138 3.2932 3.3251 3.3641 3.4942 3.5642 3.6564 3.7458 3.7948 5.7917 5.8358 7.4948 7.5620 7.6365 7.6703 8.8003 8.8789 9.4140 9.5479 9.8019 9.9045 k = 0.3000 0.3000 0.5000 ( 11618 PWs) bands (ev): -8.1560 -8.1537 -8.1294 -8.1277 -8.0376 -8.0334 -8.0312 -8.0294 -3.2877 -3.2759 -3.2318 -3.2251 -1.7142 -1.6913 -1.5725 -1.5654 -1.5322 -1.5093 -0.8745 -0.8654 0.1616 0.1874 0.2344 0.2453 0.4514 0.4777 0.5882 0.6077 0.6262 0.7146 0.7593 0.8121 0.8427 0.8835 1.0501 1.1022 1.2345 1.2533 1.3149 1.3599 1.3990 1.4693 1.5753 1.6117 1.7622 1.7691 2.4037 2.4461 2.6891 2.7325 2.8802 2.9667 3.1041 3.1988 3.2650 3.2986 3.3543 3.4833 3.5540 3.6442 3.7326 3.7802 5.8476 5.8985 7.5454 7.6104 7.7033 7.7353 8.8308 8.9254 9.3922 9.5210 9.7327 9.8303 k = 0.2857 0.2857 0.5000 ( 11638 PWs) bands (ev): -8.1618 -8.1594 -8.1342 -8.1325 -8.0329 -8.0289 -8.0263 -8.0244 -3.2885 -3.2758 -3.2328 -3.2257 -1.7166 -1.6919 -1.5749 -1.5671 -1.5325 -1.5106 -0.8612 -0.8531 0.1711 0.1993 0.2426 0.2561 0.4553 0.4841 0.5948 0.6086 0.6279 0.7202 0.7640 0.8176 0.8387 0.8851 1.0482 1.1125 1.2453 1.2585 1.3261 1.3633 1.4029 1.4732 1.5800 1.6172 1.7920 1.8063 2.3726 2.3961 2.6430 2.6978 2.8539 2.9136 3.0884 3.1787 3.2392 3.2733 3.3445 3.4731 3.5431 3.6310 3.7191 3.7652 5.9029 5.9609 7.5936 7.6563 7.7693 7.8003 8.8560 8.9694 9.3721 9.4960 9.6598 9.7574 k = 0.2714 0.2714 0.5000 ( 11638 PWs) bands (ev): -8.1678 -8.1652 -8.1392 -8.1375 -8.0280 -8.0242 -8.0211 -8.0192 -3.2891 -3.2758 -3.2337 -3.2263 -1.7188 -1.6924 -1.5773 -1.5689 -1.5328 -1.5121 -0.8482 -0.8409 0.1806 0.2108 0.2500 0.2672 0.4598 0.4906 0.6008 0.6113 0.6302 0.7254 0.7698 0.8220 0.8349 0.8884 1.0434 1.1221 1.2532 1.2656 1.3359 1.3669 1.4074 1.4764 1.5869 1.6241 1.8220 1.8440 2.3461 2.3476 2.5991 2.6641 2.8263 2.8625 3.0724 3.1533 3.2180 3.2490 3.3344 3.4637 3.5317 3.6171 3.7055 3.7499 5.9570 6.0223 7.6387 7.6990 7.8338 7.8645 8.8746 9.0093 9.3529 9.4738 9.5842 9.6878 k = 0.2571 0.2571 0.5000 ( 11632 PWs) bands (ev): -8.1738 -8.1711 -8.1442 -8.1425 -8.0231 -8.0195 -8.0159 -8.0138 -3.2897 -3.2757 -3.2346 -3.2269 -1.7208 -1.6928 -1.5798 -1.5708 -1.5330 -1.5137 -0.8357 -0.8290 0.1899 0.2217 0.2567 0.2783 0.4649 0.4971 0.6044 0.6168 0.6340 0.7301 0.7769 0.8250 0.8319 0.8935 1.0365 1.1297 1.2586 1.2749 1.3431 1.3709 1.4125 1.4789 1.5966 1.6329 1.8508 1.8803 2.3012 2.3253 2.5583 2.6319 2.7967 2.8145 3.0548 3.1259 3.1996 3.2265 3.3241 3.4548 3.5197 3.6027 3.6921 3.7344 6.0097 6.0822 7.6798 7.7377 7.8963 7.9272 8.8857 9.0433 9.3331 9.4546 9.5070 9.6235 k = 0.2429 0.2429 0.5000 ( 11632 PWs) bands (ev): -8.1797 -8.1770 -8.1493 -8.1477 -8.0181 -8.0147 -8.0105 -8.0084 -3.2901 -3.2756 -3.2355 -3.2275 -1.7225 -1.6931 -1.5823 -1.5728 -1.5331 -1.5154 -0.8240 -0.8174 0.1987 0.2320 0.2628 0.2892 0.4706 0.5037 0.6066 0.6226 0.6399 0.7341 0.7852 0.8256 0.8311 0.8999 1.0284 1.1341 1.2631 1.2849 1.3476 1.3756 1.4173 1.4807 1.6094 1.6436 1.8768 1.9131 2.2577 2.3109 2.5217 2.6026 2.7625 2.7725 3.0344 3.1006 3.1800 3.2078 3.3135 3.4461 3.5075 3.5882 3.6788 3.7190 6.0607 6.1400 7.7163 7.7717 7.9563 7.9875 8.8886 9.0692 9.3106 9.4282 9.4397 9.5667 k = 0.2286 0.2286 0.5000 ( 11630 PWs) bands (ev): -8.1856 -8.1829 -8.1545 -8.1528 -8.0130 -8.0098 -8.0052 -8.0029 -3.2905 -3.2755 -3.2364 -3.2281 -1.7239 -1.6933 -1.5849 -1.5748 -1.5333 -1.5171 -0.8131 -0.8062 0.2071 0.2416 0.2683 0.2998 0.4766 0.5105 0.6087 0.6272 0.6482 0.7374 0.7937 0.8244 0.8328 0.9072 1.0196 1.1351 1.2671 1.2954 1.3498 1.3806 1.4217 1.4820 1.6254 1.6565 1.8988 1.9408 2.2175 2.3028 2.4896 2.5783 2.7226 2.7379 3.0109 3.0795 3.1580 3.1936 3.3026 3.4373 3.4956 3.5738 3.6660 3.7038 6.1095 6.1952 7.7473 7.8003 8.0133 8.0449 8.8831 9.0843 9.2838 9.3541 9.4256 9.5191 k = 0.2143 0.2143 0.5000 ( 11602 PWs) bands (ev): -8.1915 -8.1888 -8.1595 -8.1579 -8.0080 -8.0051 -7.9998 -7.9974 -3.2907 -3.2754 -3.2372 -3.2287 -1.7250 -1.6934 -1.5874 -1.5767 -1.5334 -1.5189 -0.8030 -0.7955 0.2148 0.2506 0.2731 0.3100 0.4830 0.5178 0.6111 0.6311 0.6579 0.7401 0.8005 0.8248 0.8353 0.9152 1.0109 1.1330 1.2704 1.3063 1.3503 1.3854 1.4256 1.4827 1.6439 1.6715 1.9159 1.9619 2.1808 2.2988 2.4630 2.5617 2.6839 2.7042 2.9859 3.0622 3.1347 3.1826 3.2915 3.4277 3.4847 3.5598 3.6536 3.6889 6.1559 6.2475 7.7725 7.8231 8.0668 8.0987 8.8689 9.0834 9.2535 9.2879 9.4144 9.4805 k = 0.2000 0.2000 0.5000 ( 11598 PWs) bands (ev): -8.1971 -8.1945 -8.1645 -8.1630 -8.0031 -8.0003 -7.9945 -7.9921 -3.2908 -3.2753 -3.2380 -3.2293 -1.7257 -1.6934 -1.5898 -1.5787 -1.5335 -1.5207 -0.7938 -0.7856 0.2218 0.2590 0.2773 0.3195 0.4895 0.5255 0.6138 0.6348 0.6677 0.7425 0.8033 0.8286 0.8383 0.9235 1.0028 1.1283 1.2725 1.3177 1.3495 1.3895 1.4295 1.4829 1.6639 1.6882 1.9279 1.9762 2.1479 2.2941 2.4434 2.5543 2.6481 2.6714 2.9616 3.0471 3.1116 3.1736 3.2802 3.4169 3.4755 3.5463 3.6419 3.6745 6.1997 6.2964 7.7913 7.8394 8.1164 8.1483 8.8459 9.0579 9.2229 9.2404 9.4045 9.4494 k = 0.1857 0.1857 0.5000 ( 11592 PWs) bands (ev): -8.2026 -8.2000 -8.1694 -8.1679 -7.9983 -7.9957 -7.9892 -7.9869 -3.2908 -3.2753 -3.2387 -3.2299 -1.7262 -1.6934 -1.5921 -1.5806 -1.5337 -1.5224 -0.7854 -0.7766 0.2279 0.2668 0.2810 0.3281 0.4961 0.5337 0.6172 0.6386 0.6773 0.7448 0.8029 0.8336 0.8423 0.9321 0.9962 1.1220 1.2734 1.3294 1.3478 1.3926 1.4337 1.4827 1.6840 1.7064 1.9353 1.9846 2.1192 2.2826 2.4322 2.5553 2.6138 2.6445 2.9396 3.0331 3.0895 3.1665 3.2685 3.4046 3.4685 3.5336 3.6307 3.6607 6.2407 6.3415 7.8033 7.8493 8.1618 8.1933 8.8143 9.0057 9.1961 9.2153 9.3951 9.4245 k = 0.1714 0.1714 0.5000 ( 11616 PWs) bands (ev): -8.2079 -8.2053 -8.1740 -8.1726 -7.9937 -7.9913 -7.9842 -7.9819 -3.2906 -3.2753 -3.2393 -3.2304 -1.7264 -1.6935 -1.5943 -1.5825 -1.5340 -1.5240 -0.7778 -0.7684 0.2333 0.2736 0.2844 0.3356 0.5026 0.5422 0.6212 0.6427 0.6863 0.7472 0.8013 0.8375 0.8465 0.9407 0.9914 1.1148 1.2731 1.3393 1.3470 1.3950 1.4387 1.4822 1.7031 1.7252 1.9392 1.9886 2.0951 2.2620 2.4248 2.5573 2.5824 2.6327 2.9211 3.0190 3.0691 3.1610 3.2564 3.3910 3.4639 3.5216 3.6203 3.6476 6.2786 6.3824 7.8086 7.8528 8.2027 8.2335 8.7751 8.9379 9.1748 9.2043 9.3835 9.4067 k = 0.1571 0.1571 0.5000 ( 11592 PWs) bands (ev): -8.2128 -8.2104 -8.1785 -8.1772 -7.9892 -7.9870 -7.9793 -7.9771 -3.2903 -3.2753 -3.2399 -3.2310 -1.7262 -1.6937 -1.5963 -1.5844 -1.5343 -1.5256 -0.7710 -0.7612 0.2380 0.2788 0.2884 0.3417 0.5091 0.5507 0.6262 0.6471 0.6946 0.7500 0.7997 0.8404 0.8494 0.9490 0.9888 1.1074 1.2720 1.3388 1.3560 1.3974 1.4443 1.4816 1.7204 1.7439 1.9408 1.9893 2.0768 2.2350 2.4128 2.5289 2.5840 2.6399 2.9063 3.0045 3.0510 3.1575 3.2440 3.3769 3.4612 3.5107 3.6105 3.6353 6.3134 6.4189 7.8073 7.8501 8.2390 8.2687 8.7305 8.8648 9.1595 9.1990 9.3675 9.3973 k = 0.1429 0.1429 0.5000 ( 11588 PWs) bands (ev): -8.2175 -8.2152 -8.1827 -8.1814 -7.9850 -7.9830 -7.9747 -7.9725 -3.2899 -3.2754 -3.2403 -3.2316 -1.7257 -1.6940 -1.5981 -1.5862 -1.5346 -1.5270 -0.7649 -0.7550 0.2421 0.2818 0.2935 0.3464 0.5155 0.5586 0.6323 0.6518 0.7022 0.7533 0.7984 0.8421 0.8506 0.9565 0.9881 1.1005 1.2702 1.3344 1.3680 1.4006 1.4503 1.4811 1.7352 1.7616 1.9411 1.9875 2.0648 2.2050 2.3921 2.4876 2.6032 2.6611 2.8954 2.9895 3.0351 3.1558 3.2312 3.3628 3.4601 3.5009 3.6015 3.6241 6.3451 6.4506 7.7999 7.8421 8.2706 8.2990 8.6828 8.7919 9.1497 9.1959 9.3500 9.3924 k = 0.1286 0.1286 0.5000 ( 11594 PWs) bands (ev): -8.2218 -8.2197 -8.1865 -8.1854 -7.9811 -7.9793 -7.9704 -7.9683 -3.2895 -3.2757 -3.2405 -3.2322 -1.7250 -1.6944 -1.5996 -1.5879 -1.5350 -1.5283 -0.7596 -0.7497 0.2456 0.2831 0.2991 0.3496 0.5217 0.5653 0.6395 0.6568 0.7093 0.7570 0.7979 0.8419 0.8513 0.9621 0.9889 1.0944 1.2683 1.3293 1.3795 1.4052 1.4563 1.4808 1.7473 1.7777 1.9408 1.9845 2.0585 2.1748 2.3645 2.4445 2.6284 2.6898 2.8883 2.9744 3.0213 3.1558 3.2183 3.3494 3.4600 3.4925 3.5932 3.6139 6.3737 6.4774 7.7874 7.8295 8.2976 8.3243 8.6344 8.7218 9.1443 9.1941 9.3334 9.3887 k = 0.1143 0.1143 0.5000 ( 11592 PWs) bands (ev): -8.2257 -8.2238 -8.1901 -8.1891 -7.9775 -7.9759 -7.9663 -7.9645 -3.2889 -3.2760 -3.2407 -3.2328 -1.7239 -1.6951 -1.6009 -1.5895 -1.5355 -1.5295 -0.7549 -0.7454 0.2488 0.2833 0.3047 0.3514 0.5276 0.5704 0.6478 0.6620 0.7161 0.7608 0.7984 0.8394 0.8526 0.9644 0.9911 1.0892 1.2666 1.3240 1.3900 1.4117 1.4623 1.4807 1.7568 1.7920 1.9403 1.9822 2.0556 2.1470 2.3331 2.4014 2.6559 2.7217 2.8847 2.9600 3.0092 3.1567 3.2060 3.3371 3.4604 3.4857 3.5857 3.6047 6.3992 6.4992 7.7712 7.8133 8.3199 8.3449 8.5874 8.6564 9.1421 9.1934 9.3183 9.3840 k = 0.1000 0.1000 0.5000 ( 11604 PWs) bands (ev): -8.2292 -8.2275 -8.1933 -8.1924 -7.9742 -7.9728 -7.9627 -7.9610 -3.2882 -3.2764 -3.2407 -3.2334 -1.7226 -1.6960 -1.6018 -1.5911 -1.5359 -1.5306 -0.7509 -0.7419 0.2517 0.2828 0.3099 0.3520 0.5333 0.5737 0.6563 0.6674 0.7231 0.7643 0.8005 0.8359 0.8543 0.9623 0.9949 1.0846 1.2656 1.3187 1.3992 1.4201 1.4679 1.4811 1.7640 1.8043 1.9396 1.9823 2.0515 2.1249 2.2998 2.3592 2.6834 2.7538 2.8841 2.9467 2.9987 3.1556 3.1969 3.3260 3.4608 3.4808 3.5789 3.5967 6.4218 6.5160 7.7530 7.7947 8.3376 8.3607 8.5438 8.5971 9.1424 9.1940 9.3046 9.3765 k = 0.0857 0.0857 0.5000 ( 11586 PWs) bands (ev): -8.2323 -8.2308 -8.1961 -8.1953 -7.9713 -7.9701 -7.9594 -7.9579 -3.2874 -3.2769 -3.2406 -3.2340 -1.7210 -1.6971 -1.6024 -1.5927 -1.5363 -1.5316 -0.7473 -0.7391 0.2544 0.2817 0.3148 0.3517 0.5386 0.5753 0.6644 0.6730 0.7305 0.7673 0.8044 0.8324 0.8560 0.9564 1.0000 1.0799 1.2657 1.3136 1.4078 1.4292 1.4732 1.4819 1.7696 1.8149 1.9390 1.9854 2.0421 2.1123 2.2659 2.3190 2.7096 2.7836 2.8861 2.9353 2.9898 3.1484 3.1952 3.3161 3.4607 3.4780 3.5732 3.5897 6.4418 6.5280 7.7345 7.7746 8.3502 8.3715 8.5056 8.5452 9.1445 9.1958 9.2920 9.3653 k = 0.0714 0.0714 0.5000 ( 11584 PWs) bands (ev): -8.2349 -8.2336 -8.1985 -8.1979 -7.9687 -7.9677 -7.9566 -7.9553 -3.2866 -3.2776 -3.2404 -3.2347 -1.7192 -1.6985 -1.6027 -1.5941 -1.5366 -1.5325 -0.7443 -0.7371 0.2570 0.2802 0.3193 0.3504 0.5435 0.5754 0.6711 0.6786 0.7382 0.7694 0.8099 0.8298 0.8574 0.9473 1.0057 1.0746 1.2669 1.3088 1.4162 1.4379 1.4777 1.4833 1.7744 1.8235 1.9389 1.9904 2.0282 2.1088 2.2322 2.2815 2.7338 2.8085 2.8901 2.9265 2.9834 3.1346 3.2010 3.3070 3.4603 3.4769 3.5685 3.5836 6.4595 6.5354 7.7173 7.7543 8.3569 8.3767 8.4752 8.5027 9.1484 9.1987 9.2803 9.3506 k = 0.0571 0.0571 0.5000 ( 11576 PWs) bands (ev): -8.2371 -8.2360 -8.2005 -8.2000 -7.9666 -7.9658 -7.9542 -7.9532 -3.2857 -3.2783 -3.2400 -3.2353 -1.7173 -1.7001 -1.6027 -1.5955 -1.5368 -1.5334 -0.7418 -0.7358 0.2594 0.2783 0.3234 0.3486 0.5481 0.5744 0.6766 0.6834 0.7459 0.7707 0.8168 0.8288 0.8586 0.9360 1.0118 1.0684 1.2694 1.3041 1.4247 1.4451 1.4815 1.4852 1.7794 1.8293 1.9397 1.9932 2.0180 2.1101 2.1998 2.2476 2.7558 2.8260 2.8946 2.9213 2.9812 3.1172 3.2108 3.2983 3.4603 3.4763 3.5650 3.5783 6.4751 6.5386 7.7027 7.7349 8.3566 8.3749 8.4548 8.4718 9.1538 9.2020 9.2699 9.3337 k = 0.0429 0.0429 0.5000 ( 11580 PWs) bands (ev): -8.2387 -8.2379 -8.2021 -8.2016 -7.9649 -7.9643 -7.9523 -7.9515 -3.2847 -3.2791 -3.2396 -3.2360 -1.7152 -1.7020 -1.6024 -1.5968 -1.5368 -1.5342 -0.7397 -0.7350 0.2619 0.2762 0.3273 0.3462 0.5524 0.5725 0.6809 0.6869 0.7529 0.7712 0.8239 0.8297 0.8603 0.9232 1.0181 1.0614 1.2727 1.2994 1.4328 1.4501 1.4843 1.4873 1.7852 1.8311 1.9418 1.9868 2.0215 2.1121 2.1706 2.2180 2.7754 2.8347 2.8980 2.9190 2.9857 3.0979 3.2225 3.2896 3.4612 3.4755 3.5629 3.5738 6.4889 6.5383 7.6917 7.7175 8.3504 8.3661 8.4442 8.4538 9.1608 9.2043 9.2619 9.3163 k = 0.0286 0.0286 0.5000 ( 11580 PWs) bands (ev): -8.2399 -8.2393 -8.2031 -8.2029 -7.9637 -7.9633 -7.9509 -7.9504 -3.2838 -3.2799 -3.2391 -3.2366 -1.7130 -1.7040 -1.6019 -1.5981 -1.5367 -1.5349 -0.7379 -0.7348 0.2643 0.2740 0.3309 0.3436 0.5564 0.5701 0.6844 0.6889 0.7587 0.7707 0.8291 0.8329 0.8638 0.9095 1.0246 1.0539 1.2766 1.2948 1.4402 1.4528 1.4866 1.4889 1.7926 1.8281 1.9460 1.9773 2.0340 2.1084 2.1508 2.1930 2.7927 2.8353 2.9009 2.9169 2.9977 3.0775 3.2349 3.2803 3.4631 3.4739 3.5622 3.5699 6.5012 6.5350 7.6849 7.7029 8.3426 8.3538 8.4401 8.4456 9.1691 9.2031 9.2591 9.2995 k = 0.0143 0.0143 0.5000 ( 11576 PWs) bands (ev): -8.2405 -8.2402 -8.2038 -8.2036 -7.9629 -7.9627 -7.9500 -7.9497 -3.2828 -3.2809 -3.2385 -3.2373 -1.7107 -1.7062 -1.6011 -1.5992 -1.5364 -1.5355 -0.7366 -0.7349 0.2668 0.2716 0.3343 0.3406 0.5603 0.5671 0.6871 0.6895 0.7633 0.7693 0.8325 0.8354 0.8712 0.8956 1.0315 1.0463 1.2810 1.2901 1.4463 1.4529 1.4884 1.4897 1.8016 1.8209 1.9523 1.9683 2.0508 2.0921 2.1487 2.1729 2.8078 2.8299 2.9046 2.9134 3.0152 3.0565 3.2473 3.2702 3.4657 3.4716 3.5627 3.5667 6.5120 6.5292 7.6826 7.6919 8.3375 8.3433 8.4395 8.4421 9.1785 9.1972 9.2628 9.2844 k = 0.0000 0.0000 0.5000 ( 11524 PWs) bands (ev): -8.2406 -8.2406 -8.2039 -8.2039 -7.9625 -7.9625 -7.9496 -7.9496 -3.2818 -3.2818 -3.2379 -3.2379 -1.7084 -1.7084 -1.6002 -1.6002 -1.5360 -1.5360 -0.7356 -0.7356 0.2692 0.2692 0.3376 0.3376 0.5639 0.5639 0.6889 0.6889 0.7668 0.7668 0.8349 0.8349 0.8824 0.8824 1.0388 1.0388 1.2856 1.2856 1.4508 1.4508 1.4896 1.4896 1.8115 1.8115 1.9600 1.9600 2.0708 2.0708 2.1578 2.1578 2.8204 2.8204 2.9090 2.9090 3.0354 3.0354 3.2592 3.2592 3.4687 3.4687 3.5643 3.5643 6.5215 6.5215 7.6850 7.6850 8.3375 8.3375 8.4403 8.4403 9.1883 9.1883 9.2718 9.2718 k = 0.0000 0.5000-0.0000 ( 11524 PWs) bands (ev): -8.2406 -8.2406 -8.2039 -8.2039 -7.9625 -7.9625 -7.9496 -7.9496 -3.2818 -3.2818 -3.2379 -3.2379 -1.7084 -1.7084 -1.6002 -1.6002 -1.5360 -1.5360 -0.7356 -0.7356 0.2692 0.2692 0.3376 0.3376 0.5639 0.5639 0.6889 0.6889 0.7668 0.7668 0.8349 0.8349 0.8824 0.8824 1.0388 1.0388 1.2856 1.2856 1.4508 1.4508 1.4896 1.4896 1.8115 1.8115 1.9600 1.9600 2.0708 2.0708 2.1578 2.1578 2.8204 2.8204 2.9090 2.9090 3.0354 3.0354 3.2592 3.2592 3.4687 3.4687 3.5643 3.5643 6.5215 6.5215 7.6850 7.6850 8.3375 8.3375 8.4403 8.4403 9.1883 9.1883 9.2718 9.2718 k = 0.0000 0.5000 0.0200 ( 11576 PWs) bands (ev): -8.2405 -8.2403 -8.2038 -8.2036 -7.9629 -7.9627 -7.9500 -7.9497 -3.2832 -3.2805 -3.2382 -3.2376 -1.7111 -1.7058 -1.6012 -1.5991 -1.5362 -1.5357 -0.7370 -0.7352 0.2664 0.2719 0.3362 0.3385 0.5591 0.5683 0.6866 0.6898 0.7656 0.7674 0.8329 0.8365 0.8653 0.8996 1.0366 1.0419 1.2798 1.2923 1.4452 1.4543 1.4884 1.4902 1.8061 1.8165 1.9534 1.9671 2.0425 2.0993 2.1457 2.1782 2.8098 2.8265 2.9073 2.9094 3.0069 3.0648 3.2451 3.2745 3.4628 3.4709 3.5630 3.5683 6.5114 6.5287 7.6855 7.6897 8.3364 8.3445 8.4404 8.4410 9.1865 9.1902 9.2714 9.2716 k = 0.0000 0.5000 0.0400 ( 11576 PWs) bands (ev): -8.2399 -8.2394 -8.2031 -8.2027 -7.9639 -7.9633 -7.9508 -7.9503 -3.2845 -3.2792 -3.2384 -3.2373 -1.7138 -1.7032 -1.6018 -1.5978 -1.5362 -1.5353 -0.7396 -0.7361 0.2636 0.2746 0.3344 0.3390 0.5543 0.5725 0.6833 0.6895 0.7639 0.7674 0.8288 0.8379 0.8507 0.9160 1.0358 1.0457 1.2751 1.3000 1.4382 1.4557 1.4870 1.4903 1.8016 1.8196 1.9469 1.9761 2.0180 2.1116 2.1577 2.2037 2.7956 2.8275 2.9038 2.9088 2.9807 3.0939 3.2322 3.2909 3.4540 3.4686 3.5652 3.5742 6.4986 6.5330 7.6912 7.6992 8.3410 8.3568 8.4423 8.4426 9.1835 9.1929 9.2695 9.2719 k = 0.0000 0.5000 0.0600 ( 11582 PWs) bands (ev): -8.2387 -8.2380 -8.2019 -8.2014 -7.9653 -7.9645 -7.9522 -7.9514 -3.2858 -3.2779 -3.2386 -3.2370 -1.7164 -1.7008 -1.6021 -1.5963 -1.5360 -1.5347 -0.7432 -0.7380 0.2609 0.2770 0.3321 0.3392 0.5493 0.5763 0.6789 0.6881 0.7614 0.7665 0.8179 0.8392 0.8443 0.9312 1.0366 1.0498 1.2717 1.3085 1.4304 1.4549 1.4855 1.4900 1.7983 1.8192 1.9405 1.9868 1.9991 2.1067 2.1936 2.2335 2.7788 2.8225 2.8976 2.9080 2.9584 3.1211 3.2204 3.3076 3.4438 3.4619 3.5712 3.5816 6.4834 6.5342 7.7023 7.7133 8.3506 8.3723 8.4453 8.4481 9.1783 9.1973 9.2655 9.2737 k = 0.0000 0.5000 0.0800 ( 11574 PWs) bands (ev): -8.2371 -8.2362 -8.2002 -8.1995 -7.9673 -7.9662 -7.9540 -7.9529 -3.2871 -3.2768 -3.2387 -3.2366 -1.7189 -1.6986 -1.6021 -1.5947 -1.5356 -1.5340 -0.7479 -0.7411 0.2582 0.2793 0.3293 0.3391 0.5442 0.5796 0.6736 0.6855 0.7577 0.7642 0.8029 0.8405 0.8448 0.9451 1.0394 1.0540 1.2696 1.3175 1.4223 1.4521 1.4840 1.4892 1.7958 1.8148 1.9347 1.9770 2.0084 2.1004 2.2363 2.2672 2.7599 2.8113 2.8880 2.9077 2.9417 3.1427 3.2122 3.3224 3.4340 3.4512 3.5811 3.5902 6.4660 6.5323 7.7186 7.7316 8.3635 8.3865 8.4504 8.4625 9.1701 9.2036 9.2589 9.2778 k = 0.0000 0.5000 0.1000 ( 11580 PWs) bands (ev): -8.2350 -8.2338 -8.1980 -8.1972 -7.9697 -7.9684 -7.9562 -7.9550 -3.2883 -3.2757 -3.2388 -3.2362 -1.7212 -1.6967 -1.6016 -1.5931 -1.5350 -1.5333 -0.7535 -0.7452 0.2556 0.2814 0.3260 0.3387 0.5390 0.5820 0.6675 0.6819 0.7513 0.7602 0.7893 0.8419 0.8484 0.9575 1.0441 1.0582 1.2690 1.3271 1.4144 1.4476 1.4828 1.4879 1.7933 1.8069 1.9302 1.9615 2.0304 2.0955 2.2822 2.3039 2.7395 2.7942 2.8762 2.9086 2.9297 3.1500 3.2150 3.3314 3.4285 3.4372 3.5944 3.6001 6.4465 6.5273 7.7400 7.7537 8.3768 8.3947 8.4603 8.4900 9.1590 9.2123 9.2496 9.2845 k = 0.0000 0.5000 0.1200 ( 11588 PWs) bands (ev): -8.2324 -8.2310 -8.1953 -8.1943 -7.9727 -7.9711 -7.9590 -7.9575 -3.2894 -3.2748 -3.2387 -3.2358 -1.7233 -1.6952 -1.6008 -1.5914 -1.5342 -1.5325 -0.7598 -0.7503 0.2531 0.2831 0.3222 0.3380 0.5335 0.5835 0.6607 0.6776 0.7405 0.7540 0.7805 0.8440 0.8541 0.9683 1.0507 1.0622 1.2698 1.3369 1.4071 1.4422 1.4818 1.4863 1.7901 1.7968 1.9272 1.9468 2.0567 2.0921 2.3298 2.3433 2.7184 2.7720 2.8646 2.9117 2.9199 3.1397 3.2308 3.3298 3.4207 3.4314 3.6106 3.6116 6.4252 6.5192 7.7661 7.7791 8.3868 8.3972 8.4782 8.5301 9.1454 9.2228 9.2383 9.2936 k = 0.0000 0.5000 0.1400 ( 11586 PWs) bands (ev): -8.2294 -8.2277 -8.1922 -8.1910 -7.9761 -7.9743 -7.9622 -7.9604 -3.2904 -3.2741 -3.2386 -3.2354 -1.7252 -1.6940 -1.5995 -1.5898 -1.5333 -1.5316 -0.7669 -0.7563 0.2508 0.2846 0.3181 0.3370 0.5279 0.5838 0.6533 0.6726 0.7260 0.7455 0.7771 0.8470 0.8615 0.9775 1.0588 1.0659 1.2722 1.3469 1.4009 1.4364 1.4813 1.4845 1.7856 1.7856 1.9257 1.9327 2.0859 2.0905 2.3780 2.3846 2.6974 2.7463 2.8545 2.9105 2.9173 3.1196 3.2508 3.3176 3.4026 3.4425 3.6249 3.6295 6.4025 6.5081 7.7966 7.8072 8.3918 8.3966 8.5052 8.5801 9.1305 9.2212 9.2393 9.3050 k = 0.0000 0.5000 0.1600 ( 11584 PWs) bands (ev): -8.2259 -8.2240 -8.1886 -8.1872 -7.9800 -7.9779 -7.9658 -7.9638 -3.2913 -3.2736 -3.2384 -3.2351 -1.7268 -1.6931 -1.5978 -1.5881 -1.5321 -1.5307 -0.7746 -0.7631 0.2487 0.2856 0.3135 0.3356 0.5222 0.5827 0.6456 0.6672 0.7099 0.7348 0.7772 0.8510 0.8703 0.9853 1.0682 1.0692 1.2762 1.3566 1.3959 1.4308 1.4813 1.4826 1.7742 1.7794 1.9189 1.9251 2.0909 2.1171 2.4251 2.4270 2.6782 2.7186 2.8457 2.9011 2.9258 3.0941 3.2694 3.2985 3.3843 3.4574 3.6405 3.6505 6.3785 6.4940 7.8308 7.8377 8.3925 8.3941 8.5396 8.6380 9.1153 9.2057 9.2551 9.3187 k = 0.0000 0.5000 0.1800 ( 11582 PWs) bands (ev): -8.2219 -8.2199 -8.1845 -8.1830 -7.9843 -7.9820 -7.9698 -7.9677 -3.2920 -3.2732 -3.2381 -3.2347 -1.7282 -1.6927 -1.5958 -1.5865 -1.5308 -1.5298 -0.7827 -0.7706 0.2469 0.2862 0.3087 0.3339 0.5165 0.5798 0.6380 0.6616 0.6937 0.7223 0.7799 0.8560 0.8804 0.9916 1.0722 1.0783 1.2817 1.3659 1.3923 1.4260 1.4806 1.4817 1.7629 1.7717 1.9054 1.9246 2.0936 2.1493 2.4678 2.4697 2.6638 2.6902 2.8369 2.8926 2.9370 3.0648 3.2761 3.2825 3.3686 3.4726 3.6584 3.6731 6.3537 6.4772 7.8682 7.8701 8.3902 8.3907 8.5791 8.7022 9.1016 9.1887 9.2742 9.3344 k = 0.0000 0.5000 0.2000 ( 11596 PWs) bands (ev): -8.2176 -8.2153 -8.1800 -8.1783 -7.9891 -7.9865 -7.9743 -7.9719 -3.2927 -3.2730 -3.2377 -3.2343 -1.7292 -1.6926 -1.5935 -1.5849 -1.5294 -1.5290 -0.7912 -0.7786 0.2452 0.2863 0.3038 0.3317 0.5107 0.5750 0.6309 0.6558 0.6781 0.7084 0.7846 0.8619 0.8916 0.9966 1.0748 1.0886 1.2887 1.3740 1.3900 1.4227 1.4786 1.4827 1.7520 1.7626 1.8922 1.9237 2.0990 2.1818 2.4996 2.5114 2.6608 2.6621 2.8265 2.8869 2.9505 3.0325 3.2523 3.2852 3.3605 3.4860 3.6786 3.6970 6.3283 6.4578 7.9038 7.9081 8.3861 8.3866 8.6209 8.7709 9.0914 9.1725 9.2958 9.3522 k = 0.0000 0.5000 0.2200 ( 11604 PWs) bands (ev): -8.2128 -8.2104 -8.1751 -8.1733 -7.9942 -7.9915 -7.9791 -7.9766 -3.2931 -3.2730 -3.2373 -3.2339 -1.7300 -1.6928 -1.5909 -1.5833 -1.5281 -1.5280 -0.7999 -0.7870 0.2438 0.2857 0.2990 0.3290 0.5052 0.5683 0.6246 0.6498 0.6634 0.6937 0.7911 0.8686 0.9036 1.0005 1.0769 1.0987 1.2972 1.3805 1.3892 1.4215 1.4767 1.4841 1.7417 1.7525 1.8794 1.9218 2.1070 2.2141 2.5128 2.5497 2.6361 2.6767 2.8131 2.8859 2.9651 2.9981 3.2288 3.2756 3.3624 3.4969 3.7009 3.7215 6.3026 6.4362 7.9384 7.9496 8.3806 8.3820 8.6623 8.8405 9.0876 9.1604 9.3200 9.3720 k = 0.0000 0.5000 0.2400 ( 11628 PWs) bands (ev): -8.2077 -8.2051 -8.1698 -8.1679 -7.9997 -7.9968 -7.9843 -7.9817 -3.2935 -3.2732 -3.2368 -3.2335 -1.7305 -1.6934 -1.5882 -1.5817 -1.5272 -1.5264 -0.8086 -0.7956 0.2426 0.2841 0.2946 0.3258 0.4999 0.5598 0.6194 0.6434 0.6497 0.6790 0.7989 0.8758 0.9164 1.0033 1.0785 1.1082 1.3070 1.3848 1.3898 1.4230 1.4747 1.4859 1.7321 1.7417 1.8673 1.9189 2.1178 2.2454 2.5084 2.5756 2.6196 2.7104 2.7972 2.8899 2.9590 2.9826 3.2071 3.2592 3.3695 3.5049 3.7247 3.7461 6.2771 6.4126 7.9734 7.9920 8.3741 8.3772 8.6998 8.9040 9.0937 9.1594 9.3465 9.3938 k = 0.0000 0.5000 0.2600 ( 11628 PWs) bands (ev): -8.2023 -8.1996 -8.1641 -8.1621 -8.0055 -8.0024 -7.9899 -7.9871 -3.2937 -3.2736 -3.2362 -3.2332 -1.7307 -1.6942 -1.5853 -1.5802 -1.5263 -1.5249 -0.8172 -0.8044 0.2417 0.2812 0.2913 0.3220 0.4952 0.5503 0.6153 0.6360 0.6371 0.6655 0.8080 0.8836 0.9296 1.0053 1.0795 1.1169 1.3178 1.3874 1.3918 1.4267 1.4727 1.4878 1.7234 1.7306 1.8560 1.9150 2.1310 2.2756 2.4948 2.5683 2.6314 2.7530 2.7803 2.8991 2.9217 2.9959 3.1887 3.2422 3.3774 3.5099 3.7493 3.7706 6.2521 6.3875 8.0083 8.0343 8.3669 8.3722 8.7299 8.9482 9.1135 9.1824 9.3754 9.4176 k = 0.0000 0.5000 0.2800 ( 11616 PWs) bands (ev): -8.1965 -8.1937 -8.1581 -8.1559 -8.0116 -8.0084 -7.9958 -7.9929 -3.2937 -3.2742 -3.2357 -3.2328 -1.7307 -1.6953 -1.5825 -1.5787 -1.5255 -1.5234 -0.8256 -0.8132 0.2411 0.2772 0.2888 0.3177 0.4912 0.5401 0.6118 0.6258 0.6266 0.6545 0.8180 0.8917 0.9432 1.0064 1.0800 1.1243 1.3293 1.3890 1.3951 1.4317 1.4705 1.4896 1.7157 1.7197 1.8457 1.9104 2.1465 2.3042 2.4779 2.5476 2.6483 2.7645 2.7975 2.8835 2.9137 3.0065 3.1749 3.2288 3.3838 3.5120 3.7739 3.7943 6.2280 6.3612 8.0425 8.0756 8.3593 8.3671 8.7504 8.9640 9.1492 9.2382 9.4070 9.4432 k = 0.0000 0.5000 0.3000 ( 11612 PWs) bands (ev): -8.1905 -8.1876 -8.1518 -8.1495 -8.0179 -8.0146 -8.0020 -7.9990 -3.2937 -3.2749 -3.2351 -3.2325 -1.7303 -1.6966 -1.5797 -1.5772 -1.5246 -1.5220 -0.8337 -0.8218 0.2407 0.2727 0.2867 0.3129 0.4878 0.5298 0.6076 0.6149 0.6167 0.6465 0.8287 0.9001 0.9570 1.0068 1.0799 1.1303 1.3409 1.3908 1.3999 1.4369 1.4680 1.4911 1.7091 1.7093 1.8365 1.9051 2.1641 2.3309 2.4603 2.5266 2.6542 2.7516 2.8271 2.8582 2.9343 3.0126 3.1670 3.2220 3.3880 3.5113 3.7981 3.8168 6.2051 6.3341 8.0757 8.1153 8.3515 8.3620 8.7617 8.9590 9.2007 9.3176 9.4422 9.4706 k = 0.0000 0.5000 0.3200 ( 11598 PWs) bands (ev): -8.1843 -8.1812 -8.1452 -8.1427 -8.0244 -8.0210 -8.0085 -8.0054 -3.2934 -3.2757 -3.2345 -3.2322 -1.7297 -1.6981 -1.5771 -1.5757 -1.5238 -1.5207 -0.8413 -0.8301 0.2406 0.2682 0.2847 0.3076 0.4852 0.5200 0.6004 0.6020 0.6122 0.6409 0.8400 0.9084 0.9707 1.0067 1.0791 1.1346 1.3524 1.3931 1.4061 1.4416 1.4654 1.4920 1.7000 1.7036 1.8286 1.8994 2.1835 2.3554 2.4436 2.5076 2.6481 2.7407 2.7974 2.8860 2.9610 3.0160 3.1652 3.2231 3.3896 3.5078 3.8211 3.8380 6.1840 6.3067 8.1075 8.1524 8.3436 8.3571 8.7662 8.9442 9.2655 9.4046 9.4859 9.4996 k = 0.0000 0.5000 0.3400 ( 11602 PWs) bands (ev): -8.1779 -8.1748 -8.1383 -8.1358 -8.0311 -8.0276 -8.0153 -8.0120 -3.2931 -3.2767 -3.2339 -3.2319 -1.7289 -1.6997 -1.5747 -1.5743 -1.5230 -1.5195 -0.8483 -0.8380 0.2408 0.2639 0.2826 0.3021 0.4833 0.5108 0.5890 0.5917 0.6105 0.6366 0.8515 0.9167 0.9841 1.0062 1.0777 1.1373 1.3632 1.3961 1.4134 1.4456 1.4625 1.4919 1.6921 1.6992 1.8221 1.8933 2.2047 2.3771 2.4285 2.4913 2.6339 2.7291 2.7587 2.9083 2.9925 3.0251 3.1693 3.2314 3.3884 3.5017 3.8426 3.8574 6.1648 6.2794 8.1373 8.1864 8.3359 8.3523 8.7668 8.9253 9.3405 9.4750 9.5301 9.5560 k = 0.0000 0.5000 0.3600 ( 11614 PWs) bands (ev): -8.1714 -8.1683 -8.1312 -8.1286 -8.0377 -8.0342 -8.0223 -8.0189 -3.2925 -3.2777 -3.2334 -3.2317 -1.7278 -1.7015 -1.5730 -1.5725 -1.5221 -1.5185 -0.8547 -0.8454 0.2411 0.2600 0.2805 0.2965 0.4820 0.5026 0.5768 0.5830 0.6098 0.6331 0.8631 0.9244 0.9971 1.0056 1.0758 1.1381 1.3733 1.3999 1.4215 1.4485 1.4596 1.4907 1.6858 1.6959 1.8172 1.8867 2.2274 2.3953 2.4157 2.4781 2.6160 2.7158 2.7201 2.9094 3.0273 3.0484 3.1781 3.2445 3.3843 3.4930 3.8622 3.8748 6.1481 6.2527 8.1649 8.2168 8.3284 8.3479 8.7656 8.9049 9.4229 9.5219 9.5620 9.6560 k = 0.0000 0.5000 0.3800 ( 11618 PWs) bands (ev): -8.1649 -8.1619 -8.1239 -8.1212 -8.0443 -8.0408 -8.0295 -8.0260 -3.2919 -3.2788 -3.2329 -3.2315 -1.7265 -1.7034 -1.5717 -1.5707 -1.5213 -1.5177 -0.8603 -0.8521 0.2417 0.2566 0.2784 0.2910 0.4812 0.4955 0.5659 0.5748 0.6098 0.6301 0.8747 0.9314 1.0051 1.0093 1.0737 1.1371 1.3825 1.4045 1.4297 1.4501 1.4568 1.4886 1.6813 1.6933 1.8140 1.8799 2.2517 2.4055 2.4089 2.4685 2.5968 2.6828 2.7020 2.8942 3.0637 3.0818 3.1900 3.2602 3.3771 3.4816 3.8797 3.8900 6.1341 6.2272 8.1899 8.2431 8.3214 8.3438 8.7642 8.8843 9.5104 9.5617 9.5952 9.7671 k = 0.0000 0.5000 0.4000 ( 11612 PWs) bands (ev): -8.1586 -8.1557 -8.1164 -8.1137 -8.0507 -8.0472 -8.0369 -8.0333 -3.2912 -3.2800 -3.2325 -3.2313 -1.7250 -1.7053 -1.5705 -1.5691 -1.5205 -1.5171 -0.8650 -0.8581 0.2424 0.2537 0.2763 0.2858 0.4806 0.4896 0.5567 0.5673 0.6103 0.6274 0.8860 0.9370 1.0053 1.0201 1.0720 1.1343 1.3912 1.4096 1.4373 1.4504 1.4545 1.4857 1.6785 1.6913 1.8128 1.8727 2.2773 2.3981 2.4170 2.4623 2.5773 2.6473 2.6910 2.8713 3.1003 3.1179 3.2035 3.2767 3.3669 3.4677 3.8947 3.9030 6.1232 6.2032 8.2121 8.2652 8.3150 8.3401 8.7636 8.8642 9.5984 9.5996 9.6317 9.8783 k = 0.0000 0.5000 0.4200 ( 11618 PWs) bands (ev): -8.1526 -8.1499 -8.1089 -8.1061 -8.0567 -8.0533 -8.0443 -8.0407 -3.2903 -3.2812 -3.2321 -3.2312 -1.7234 -1.7074 -1.5693 -1.5679 -1.5197 -1.5167 -0.8689 -0.8632 0.2432 0.2514 0.2743 0.2811 0.4801 0.4849 0.5495 0.5605 0.6111 0.6250 0.8969 0.9408 1.0064 1.0282 1.0718 1.1297 1.3994 1.4150 1.4424 1.4491 1.4540 1.4823 1.6773 1.6895 1.8136 1.8651 2.3040 2.3938 2.4197 2.4588 2.5574 2.6144 2.6860 2.8448 3.1360 3.1524 3.2170 3.2933 3.3538 3.4514 3.9073 3.9136 6.1156 6.1812 8.2313 8.2825 8.3095 8.3369 8.7644 8.8453 9.6367 9.6563 9.6988 9.8809 k = 0.0000 0.5000 0.4400 ( 11602 PWs) bands (ev): -8.1471 -8.1448 -8.1013 -8.0986 -8.0620 -8.0589 -8.0518 -8.0481 -3.2894 -3.2824 -3.2318 -3.2311 -1.7216 -1.7094 -1.5684 -1.5671 -1.5189 -1.5165 -0.8718 -0.8675 0.2441 0.2496 0.2727 0.2772 0.4795 0.4815 0.5446 0.5545 0.6122 0.6228 0.9071 0.9421 1.0090 1.0322 1.0747 1.1237 1.4074 1.4204 1.4432 1.4462 1.4569 1.4789 1.6773 1.6878 1.8163 1.8573 2.3315 2.3927 2.4179 2.4561 2.5377 2.5847 2.6890 2.8171 3.1698 3.1828 3.2295 3.3096 3.3382 3.4330 3.9172 3.9218 6.1114 6.1616 8.2476 8.2930 8.3074 8.3341 8.7669 8.8279 9.6728 9.6911 9.7819 9.8614 k = 0.0000 0.5000 0.4600 ( 11584 PWs) bands (ev): -8.1425 -8.1408 -8.0937 -8.0912 -8.0663 -8.0635 -8.0590 -8.0554 -3.2883 -3.2837 -3.2315 -3.2311 -1.7197 -1.7115 -1.5676 -1.5666 -1.5182 -1.5165 -0.8736 -0.8707 0.2450 0.2483 0.2714 0.2741 0.4788 0.4793 0.5419 0.5494 0.6136 0.6207 0.9165 0.9410 1.0131 1.0318 1.0811 1.1163 1.4151 1.4256 1.4414 1.4419 1.4613 1.4756 1.6783 1.6859 1.8208 1.8493 2.3588 2.3949 2.4130 2.4510 2.5218 2.5587 2.6997 2.7895 3.2001 3.2068 3.2407 3.3152 3.3312 3.4127 3.9245 3.9275 6.1109 6.1449 8.2609 8.2923 8.3129 8.3315 8.7715 8.8122 9.7071 9.7223 9.8345 9.8480 k = 0.0000 0.5000 0.4800 ( 11588 PWs) bands (ev): -8.1393 -8.1383 -8.0867 -8.0847 -8.0693 -8.0676 -8.0647 -8.0619 -3.2872 -3.2849 -3.2313 -3.2311 -1.7178 -1.7136 -1.5670 -1.5664 -1.5175 -1.5167 -0.8745 -0.8730 0.2458 0.2473 0.2707 0.2720 0.4782 0.4782 0.5412 0.5453 0.6151 0.6187 0.9249 0.9374 1.0180 1.0283 1.0896 1.1079 1.4224 1.4300 1.4367 1.4386 1.4654 1.4724 1.6799 1.6839 1.8268 1.8414 2.3833 2.4020 2.4061 2.4388 2.5160 2.5374 2.7167 2.7628 3.2223 3.2227 3.2533 3.2955 3.3487 3.3912 3.9292 3.9306 6.1141 6.1312 8.2715 8.2870 8.3197 8.3286 8.7783 8.7987 9.7370 9.7469 9.8406 9.8438 k = 0.0000 0.5000 0.5000 ( 11576 PWs) bands (ev): -8.1378 -8.1378 -8.0821 -8.0821 -8.0707 -8.0707 -8.0657 -8.0657 -3.2861 -3.2861 -3.2312 -3.2312 -1.7157 -1.7157 -1.5666 -1.5666 -1.5170 -1.5170 -0.8743 -0.8743 0.2466 0.2466 0.2709 0.2709 0.4779 0.4779 0.5425 0.5425 0.6168 0.6168 0.9320 0.9320 1.0234 1.0234 1.0988 1.0988 1.4291 1.4291 1.4354 1.4354 1.4691 1.4691 1.6818 1.6818 1.8337 1.8337 2.3977 2.3977 2.4193 2.4193 2.5223 2.5223 2.7382 2.7382 3.2290 3.2290 3.2730 3.2730 3.3695 3.3695 3.9312 3.9312 6.1209 6.1209 8.2801 8.2801 8.3248 8.3248 8.7873 8.7873 9.7541 9.7541 9.8404 9.8404 k = 0.5000 0.5000-0.0000 ( 11576 PWs) bands (ev): -8.1404 -8.1404 -8.1324 -8.1324 -8.0536 -8.0536 -8.0303 -8.0303 -3.2864 -3.2864 -3.2336 -3.2336 -1.7170 -1.7170 -1.5874 -1.5874 -1.5272 -1.5272 -0.6832 -0.6832 0.2577 0.2577 0.3308 0.3308 0.3961 0.3961 0.6053 0.6053 0.6395 0.6395 0.8108 0.8108 0.9743 0.9743 1.0933 1.0933 1.2400 1.2400 1.3908 1.3908 1.4278 1.4278 1.5858 1.5858 1.9838 1.9838 2.3234 2.3234 2.4230 2.4230 2.5666 2.5666 2.6940 2.6940 3.0368 3.0368 3.5206 3.5206 3.6490 3.6490 3.7985 3.7985 6.4191 6.4191 7.9552 7.9552 8.1129 8.1129 9.2954 9.2954 9.5218 9.5218 9.6888 9.6888 k = 0.5000 0.5000 0.0200 ( 11592 PWs) bands (ev): -8.1403 -8.1402 -8.1324 -8.1323 -8.0537 -8.0536 -8.0305 -8.0304 -3.2869 -3.2858 -3.2341 -3.2331 -1.7178 -1.7160 -1.5874 -1.5871 -1.5290 -1.5253 -0.6854 -0.6838 0.2524 0.2611 0.3288 0.3311 0.3944 0.3985 0.5988 0.6111 0.6359 0.6438 0.7958 0.8260 0.9637 0.9840 1.0886 1.0968 1.2355 1.2449 1.3892 1.3906 1.4121 1.4428 1.5844 1.5861 1.9669 1.9979 2.3072 2.3436 2.3958 2.4452 2.5457 2.5943 2.6914 2.7117 3.0369 3.0394 3.5196 3.5219 3.6478 3.6502 3.7960 3.8004 6.4110 6.4177 7.9448 7.9584 8.1048 8.1131 9.2916 9.2974 9.5087 9.5303 9.6863 9.6865 k = 0.5000 0.5000 0.0400 ( 11580 PWs) bands (ev): -8.1401 -8.1399 -8.1322 -8.1320 -8.0538 -8.0536 -8.0307 -8.0306 -3.2874 -3.2851 -3.2344 -3.2325 -1.7184 -1.7148 -1.5871 -1.5866 -1.5307 -1.5232 -0.6903 -0.6871 0.2458 0.2625 0.3252 0.3296 0.3937 0.4012 0.5924 0.6154 0.6345 0.6483 0.7816 0.8406 0.9529 0.9925 1.0828 1.0989 1.2313 1.2500 1.3858 1.3862 1.3989 1.4570 1.5818 1.5854 1.9487 2.0069 2.2960 2.3618 2.3744 2.4519 2.5483 2.6156 2.7113 2.7387 3.0398 3.0448 3.5188 3.5234 3.6468 3.6516 3.7931 3.8018 6.3936 6.4068 7.9275 7.9543 8.0888 8.1050 9.2864 9.2969 9.4897 9.5366 9.6778 9.6819 k = 0.5000 0.5000 0.0600 ( 11596 PWs) bands (ev): -8.1396 -8.1394 -8.1318 -8.1316 -8.0540 -8.0537 -8.0312 -8.0310 -3.2877 -3.2844 -3.2347 -3.2318 -1.7187 -1.7133 -1.5866 -1.5858 -1.5323 -1.5211 -0.6978 -0.6929 0.2380 0.2615 0.3204 0.3263 0.3940 0.4040 0.5860 0.6167 0.6366 0.6522 0.7687 0.8531 0.9430 0.9992 1.0762 1.0998 1.2274 1.2553 1.3717 1.3804 1.3941 1.4699 1.5783 1.5839 1.9295 2.0083 2.2904 2.3424 2.3960 2.4471 2.5746 2.6310 2.7505 2.7717 3.0457 3.0530 3.5182 3.5251 3.6459 3.6530 3.7896 3.8029 6.3674 6.3867 7.9037 7.9427 8.0653 8.0888 9.2797 9.2931 9.4647 9.5432 9.6632 9.6792 k = 0.5000 0.5000 0.0800 ( 11588 PWs) bands (ev): -8.1390 -8.1386 -8.1313 -8.1310 -8.0542 -8.0538 -8.0318 -8.0316 -3.2880 -3.2837 -3.2348 -3.2310 -1.7187 -1.7118 -1.5858 -1.5848 -1.5337 -1.5190 -0.7077 -0.7012 0.2292 0.2579 0.3147 0.3213 0.3954 0.4067 0.5799 0.6157 0.6418 0.6552 0.7576 0.8618 0.9356 1.0040 1.0694 1.0996 1.2238 1.2605 1.3531 1.3731 1.3927 1.4815 1.5739 1.5820 1.9093 2.0002 2.2908 2.3229 2.4250 2.4461 2.6119 2.6481 2.7994 2.8085 3.0544 3.0638 3.5178 3.5271 3.6451 3.6544 3.7857 3.8036 6.3328 6.3580 7.8737 7.9235 8.0347 8.0646 9.2706 9.2847 9.4356 9.5520 9.6453 9.6811 k = 0.5000 0.5000 0.1000 ( 11592 PWs) bands (ev): -8.1381 -8.1377 -8.1306 -8.1303 -8.0544 -8.0540 -8.0326 -8.0324 -3.2882 -3.2829 -3.2348 -3.2302 -1.7185 -1.7100 -1.5848 -1.5836 -1.5350 -1.5169 -0.7200 -0.7117 0.2197 0.2519 0.3084 0.3146 0.3977 0.4092 0.5742 0.6142 0.6484 0.6568 0.7485 0.8640 0.9329 1.0064 1.0628 1.0985 1.2204 1.2654 1.3333 1.3640 1.3918 1.4915 1.5694 1.5798 1.8877 1.9826 2.2967 2.3092 2.4555 2.4564 2.6543 2.6707 2.8474 2.8525 3.0661 3.0773 3.5176 3.5294 3.6445 3.6559 3.7814 3.8042 6.2907 6.3214 7.8379 7.8970 7.9975 8.0328 9.2558 9.2698 9.4069 9.5639 9.6284 9.6891 k = 0.5000 0.5000 0.1200 ( 11608 PWs) bands (ev): -8.1371 -8.1366 -8.1298 -8.1294 -8.0548 -8.0542 -8.0336 -8.0333 -3.2882 -3.2821 -3.2347 -3.2293 -1.7180 -1.7082 -1.5836 -1.5821 -1.5360 -1.5148 -0.7342 -0.7243 0.2097 0.2437 0.3016 0.3064 0.4007 0.4115 0.5689 0.6130 0.6553 0.6569 0.7416 0.8592 0.9350 1.0062 1.0570 1.0969 1.2170 1.2697 1.3131 1.3533 1.3914 1.4993 1.5651 1.5775 1.8644 1.9571 2.3027 2.3075 2.4759 2.4900 2.6992 2.6995 2.8874 2.9072 3.0809 3.0934 3.5177 3.5319 3.6439 3.6572 3.7769 3.8048 6.2419 6.2776 7.7969 7.8637 7.9543 7.9939 9.2302 9.2467 9.3858 9.5775 9.6186 9.7037 k = 0.5000 0.5000 0.1400 ( 11608 PWs) bands (ev): -8.1359 -8.1354 -8.1289 -8.1284 -8.0551 -8.0545 -8.0347 -8.0343 -3.2882 -3.2813 -3.2345 -3.2285 -1.7173 -1.7062 -1.5821 -1.5805 -1.5369 -1.5127 -0.7502 -0.7386 0.1993 0.2337 0.2943 0.2968 0.4043 0.4136 0.5641 0.6123 0.6554 0.6626 0.7368 0.8496 0.9396 1.0036 1.0523 1.0952 1.2133 1.2727 1.2932 1.3419 1.3912 1.5046 1.5619 1.5755 1.8391 1.9262 2.3041 2.3231 2.5056 2.5259 2.7328 2.7462 2.9274 2.9620 3.0987 3.1121 3.5181 3.5346 3.6436 3.6583 3.7726 3.8056 6.1875 6.2275 7.7514 7.8243 7.9058 7.9486 9.1913 9.2139 9.3767 9.5885 9.6237 9.7248 k = 0.5000 0.5000 0.1600 ( 11616 PWs) bands (ev): -8.1346 -8.1339 -8.1278 -8.1273 -8.0555 -8.0548 -8.0360 -8.0355 -3.2880 -3.2805 -3.2342 -3.2276 -1.7163 -1.7041 -1.5805 -1.5786 -1.5375 -1.5107 -0.7676 -0.7543 0.1886 0.2224 0.2860 0.2863 0.4081 0.4154 0.5599 0.6121 0.6526 0.6698 0.7336 0.8374 0.9440 0.9990 1.0485 1.0935 1.2091 1.2735 1.2741 1.3309 1.3913 1.5068 1.5600 1.5736 1.8120 1.8923 2.3134 2.3433 2.5421 2.5640 2.7703 2.7934 2.9669 3.0160 3.1196 3.1333 3.5187 3.5377 3.6433 3.6588 3.7687 3.8067 6.1282 6.1722 7.7020 7.7795 7.8526 7.8980 9.1416 9.1719 9.3785 9.5979 9.6439 9.7519 k = 0.5000 0.5000 0.1800 ( 11624 PWs) bands (ev): -8.1331 -8.1323 -8.1267 -8.1261 -8.0560 -8.0552 -8.0374 -8.0369 -3.2878 -3.2797 -3.2338 -3.2267 -1.7150 -1.7020 -1.5788 -1.5767 -1.5379 -1.5088 -0.7861 -0.7713 0.1779 0.2102 0.2741 0.2778 0.4120 0.4172 0.5565 0.6124 0.6490 0.6771 0.7315 0.8239 0.9472 0.9933 1.0453 1.0918 1.2036 1.2568 1.2702 1.3224 1.3916 1.5062 1.5596 1.5722 1.7840 1.8574 2.3301 2.3680 2.5832 2.6041 2.8106 2.8403 3.0055 3.0681 3.1435 3.1573 3.5198 3.5410 3.6430 3.6585 3.7658 3.8085 6.0651 6.1125 7.6494 7.7305 7.7957 7.8429 9.0857 9.1224 9.3878 9.6117 9.6721 9.7842 k = 0.5000 0.5000 0.2000 ( 11624 PWs) bands (ev): -8.1314 -8.1306 -8.1254 -8.1248 -8.0565 -8.0556 -8.0389 -8.0384 -3.2874 -3.2789 -3.2333 -3.2258 -1.7135 -1.6999 -1.5769 -1.5747 -1.5381 -1.5070 -0.8054 -0.7891 0.1671 0.1975 0.2616 0.2686 0.4159 0.4188 0.5538 0.6131 0.6451 0.6842 0.7301 0.8098 0.9487 0.9873 1.0421 1.0898 1.1961 1.2427 1.2617 1.3178 1.3919 1.5032 1.5599 1.5711 1.7560 1.8228 2.3531 2.3969 2.6270 2.6460 2.8525 2.8859 3.0429 3.1171 3.1702 3.1843 3.5214 3.5446 3.6428 3.6570 3.7644 3.8111 5.9991 6.0494 7.5947 7.6782 7.7358 7.7843 9.0266 9.0678 9.4021 9.6309 9.7051 9.8211 k = 0.5000 0.5000 0.2200 ( 11596 PWs) bands (ev): -8.1296 -8.1287 -8.1240 -8.1234 -8.0571 -8.0561 -8.0406 -8.0400 -3.2870 -3.2782 -3.2327 -3.2250 -1.7118 -1.6977 -1.5749 -1.5726 -1.5381 -1.5055 -0.8250 -0.8074 0.1566 0.1845 0.2485 0.2588 0.4195 0.4203 0.5521 0.6142 0.6412 0.6913 0.7290 0.7956 0.9488 0.9817 1.0387 1.0870 1.1858 1.2330 1.2487 1.3168 1.3922 1.4984 1.5602 1.5705 1.7290 1.7898 2.3814 2.4296 2.6720 2.6896 2.8950 2.9298 3.0788 3.1612 3.1999 3.2152 3.5236 3.5486 3.6423 3.6541 3.7648 3.8148 5.9311 5.9837 7.5384 7.6237 7.6738 7.7234 8.9667 9.0102 9.4196 9.6541 9.7418 9.8620 k = 0.5000 0.5000 0.2400 ( 11588 PWs) bands (ev): -8.1276 -8.1267 -8.1226 -8.1220 -8.0576 -8.0566 -8.0423 -8.0418 -3.2865 -3.2776 -3.2320 -3.2241 -1.7098 -1.6955 -1.5728 -1.5704 -1.5378 -1.5041 -0.8447 -0.8260 0.1462 0.1716 0.2351 0.2485 0.4218 0.4227 0.5514 0.6154 0.6377 0.6982 0.7280 0.7813 0.9477 0.9768 1.0349 1.0825 1.1730 1.2276 1.2328 1.3177 1.3923 1.4920 1.5599 1.5701 1.7041 1.7589 2.4137 2.4655 2.7169 2.7344 2.9374 2.9715 3.1123 3.1990 3.2327 3.2504 3.5266 3.5529 3.6416 3.6498 3.7674 3.8195 5.8620 5.9164 7.4816 7.5679 7.6107 7.6612 8.9073 8.9516 9.4391 9.6791 9.7817 9.9063 k = 0.5000 0.5000 0.2600 ( 11592 PWs) bands (ev): -8.1256 -8.1247 -8.1212 -8.1205 -8.0583 -8.0572 -8.0442 -8.0436 -3.2859 -3.2770 -3.2312 -3.2234 -1.7077 -1.6934 -1.5706 -1.5683 -1.5373 -1.5031 -0.8642 -0.8447 0.1362 0.1590 0.2217 0.2377 0.4231 0.4254 0.5517 0.6167 0.6345 0.7047 0.7268 0.7671 0.9461 0.9727 1.0305 1.0760 1.1592 1.2155 1.2256 1.3195 1.3921 1.4839 1.5589 1.5700 1.6824 1.7308 2.4488 2.5039 2.7605 2.7801 2.9787 3.0111 3.1428 3.2311 3.2686 3.2881 3.5306 3.5576 3.6405 3.6445 3.7720 3.8252 5.7927 5.8484 7.4251 7.5119 7.5473 7.5986 8.8495 8.8932 9.4596 9.7035 9.8242 9.9531 k = 0.5000 0.5000 0.2800 ( 11608 PWs) bands (ev): -8.1235 -8.1225 -8.1197 -8.1190 -8.0589 -8.0578 -8.0461 -8.0456 -3.2852 -3.2765 -3.2304 -3.2227 -1.7055 -1.6913 -1.5684 -1.5662 -1.5365 -1.5023 -0.8830 -0.8630 0.1268 0.1467 0.2086 0.2267 0.4244 0.4277 0.5531 0.6182 0.6318 0.7110 0.7257 0.7531 0.9445 0.9695 1.0257 1.0674 1.1452 1.1973 1.2261 1.3216 1.3916 1.4738 1.5572 1.5700 1.6644 1.7057 2.4858 2.5441 2.8019 2.8260 3.0185 3.0487 3.1699 3.2594 3.3071 3.3252 3.5356 3.5628 3.6388 3.6390 3.7784 3.8318 5.7241 5.7804 7.3697 7.4565 7.4845 7.5365 8.7941 8.8363 9.4804 9.7252 9.8690 10.0018 k = 0.5000 0.5000 0.3000 ( 11592 PWs) bands (ev): -8.1213 -8.1203 -8.1182 -8.1175 -8.0596 -8.0585 -8.0481 -8.0476 -3.2845 -3.2761 -3.2296 -3.2221 -1.7031 -1.6893 -1.5663 -1.5642 -1.5355 -1.5019 -0.9010 -0.8809 0.1178 0.1350 0.1958 0.2156 0.4257 0.4294 0.5556 0.6197 0.6297 0.7169 0.7247 0.7394 0.9432 0.9674 1.0206 1.0571 1.1313 1.1789 1.2286 1.3237 1.3906 1.4619 1.5551 1.5701 1.6506 1.6841 2.5236 2.5852 2.8403 2.8715 3.0563 3.0844 3.1937 3.2848 3.3472 3.3592 3.5416 3.5689 3.6348 3.6365 3.7860 3.8390 5.6572 5.7134 7.3162 7.4027 7.4232 7.4760 8.7418 8.7818 9.5009 9.7422 9.9155 10.0517 k = 0.5000 0.5000 0.3200 ( 11596 PWs) bands (ev): -8.1190 -8.1180 -8.1167 -8.1160 -8.0604 -8.0592 -8.0500 -8.0496 -3.2837 -3.2757 -3.2287 -3.2216 -1.7006 -1.6875 -1.5641 -1.5622 -1.5343 -1.5018 -0.9179 -0.8980 0.1096 0.1240 0.1838 0.2045 0.4269 0.4308 0.5591 0.6211 0.6282 0.7219 0.7238 0.7264 0.9425 0.9661 1.0152 1.0455 1.1177 1.1603 1.2327 1.3257 1.3892 1.4482 1.5530 1.5700 1.6403 1.6657 2.5614 2.6264 2.8748 2.9155 3.0920 3.1183 3.2152 3.3077 3.3870 3.3882 3.5478 3.5761 3.6336 3.6339 3.7943 3.8462 5.5929 5.6482 7.2655 7.3512 7.3642 7.4178 8.6931 8.7304 9.5206 9.7533 9.9627 10.1017 k = 0.5000 0.5000 0.3400 ( 11596 PWs) bands (ev): -8.1168 -8.1158 -8.1153 -8.1146 -8.0611 -8.0599 -8.0520 -8.0516 -3.2829 -3.2754 -3.2278 -3.2212 -1.6982 -1.6858 -1.5620 -1.5603 -1.5330 -1.5022 -0.9333 -0.9141 0.1020 0.1139 0.1726 0.1937 0.4280 0.4317 0.5636 0.6224 0.6271 0.7126 0.7233 0.7275 0.9428 0.9655 1.0098 1.0334 1.1044 1.1418 1.2379 1.3274 1.3874 1.4336 1.5514 1.5698 1.6330 1.6507 2.5986 2.6666 2.9053 2.9566 3.1260 3.1499 3.2354 3.3280 3.4107 3.4245 3.5531 3.5852 3.6301 3.6389 3.8025 3.8529 5.5321 5.5856 7.2183 7.3023 7.3088 7.3628 8.6486 8.6827 9.5392 9.7579 10.0099 10.1507 k = 0.5000 0.5000 0.3600 ( 11580 PWs) bands (ev): -8.1146 -8.1139 -8.1136 -8.1132 -8.0619 -8.0606 -8.0539 -8.0536 -3.2821 -3.2753 -3.2269 -3.2209 -1.6957 -1.6844 -1.5600 -1.5585 -1.5315 -1.5029 -0.9472 -0.9291 0.0953 0.1047 0.1626 0.1832 0.4290 0.4324 0.5689 0.6237 0.6265 0.7000 0.7232 0.7317 0.9440 0.9654 1.0047 1.0215 1.0915 1.1236 1.2440 1.3288 1.3852 1.4189 1.5503 1.5692 1.6277 1.6388 2.6346 2.7048 2.9316 2.9930 3.1588 3.1788 3.2552 3.3459 3.4256 3.4571 3.5571 3.5965 3.6269 3.6509 3.8100 3.8585 5.4759 5.5266 7.1754 7.2537 7.2608 7.3116 8.6087 8.6391 9.5568 9.7565 10.0557 10.1972 k = 0.5000 0.5000 0.3800 ( 11580 PWs) bands (ev): -8.1127 -8.1123 -8.1121 -8.1114 -8.0627 -8.0614 -8.0557 -8.0555 -3.2813 -3.2752 -3.2260 -3.2206 -1.6933 -1.6831 -1.5582 -1.5569 -1.5298 -1.5040 -0.9593 -0.9428 0.0893 0.0966 0.1539 0.1734 0.4299 0.4328 0.5750 0.6248 0.6263 0.6878 0.7236 0.7351 0.9462 0.9654 1.0004 1.0105 1.0790 1.1058 1.2509 1.3295 1.3829 1.4049 1.5499 1.5682 1.6239 1.6298 2.6687 2.7396 2.9541 3.0230 3.1912 3.2048 3.2753 3.3616 3.4325 3.4824 3.5608 3.6063 3.6288 3.6688 3.8162 3.8624 5.4253 5.4720 7.1374 7.2064 7.2208 7.2652 8.5736 8.6002 9.5734 9.7500 10.0990 10.2391 k = 0.5000 0.5000 0.4000 ( 11608 PWs) bands (ev): -8.1115 -8.1110 -8.1103 -8.1094 -8.0635 -8.0622 -8.0573 -8.0572 -3.2805 -3.2753 -3.2252 -3.2205 -1.6910 -1.6822 -1.5565 -1.5554 -1.5279 -1.5055 -0.9694 -0.9549 0.0842 0.0896 0.1466 0.1643 0.4306 0.4330 0.5818 0.6256 0.6263 0.6759 0.7245 0.7376 0.9492 0.9651 0.9974 1.0010 1.0672 1.0886 1.2582 1.3290 1.3803 1.3923 1.5500 1.5667 1.6209 1.6233 2.7007 2.7696 2.9733 3.0451 3.2231 3.2277 3.2954 3.3754 3.4325 3.4991 3.5652 3.6060 3.6448 3.6900 3.8206 3.8641 5.3813 5.4228 7.1051 7.1636 7.1867 7.2240 8.5438 8.5663 9.5892 9.7397 10.1388 10.2731 k = 0.5000 0.5000 0.4200 ( 11620 PWs) bands (ev): -8.1105 -8.1101 -8.1084 -8.1077 -8.0642 -8.0630 -8.0586 -8.0586 -3.2797 -3.2754 -3.2243 -3.2206 -1.6888 -1.6816 -1.5550 -1.5541 -1.5259 -1.5073 -0.9775 -0.9654 0.0800 0.0838 0.1410 0.1561 0.4313 0.4331 0.5891 0.6263 0.6265 0.6646 0.7260 0.7391 0.9524 0.9640 0.9940 0.9962 1.0563 1.0722 1.2660 1.3270 1.3777 1.3822 1.5505 1.5648 1.6187 1.6189 2.7300 2.7933 2.9905 3.0589 3.2483 3.2531 3.3147 3.3877 3.4280 3.5073 3.5703 3.6008 3.6682 3.7119 3.8231 3.8633 5.3448 5.3799 7.0789 7.1264 7.1587 7.1887 8.5195 8.5376 9.6045 9.7267 10.1743 10.2953 k = 0.5000 0.5000 0.4400 ( 11604 PWs) bands (ev): -8.1097 -8.1093 -8.1068 -8.1062 -8.0649 -8.0639 -8.0597 -8.0597 -3.2789 -3.2756 -3.2236 -3.2207 -1.6869 -1.6813 -1.5538 -1.5531 -1.5238 -1.5094 -0.9835 -0.9741 0.0767 0.0792 0.1371 0.1490 0.4318 0.4332 0.5969 0.6269 0.6269 0.6537 0.7281 0.7395 0.9551 0.9624 0.9905 0.9968 1.0465 1.0572 1.2743 1.3229 1.3752 1.3752 1.5516 1.5628 1.6162 1.6170 2.7562 2.8095 3.0065 3.0652 3.2668 3.2787 3.3323 3.3959 3.4250 3.5076 3.5753 3.5954 3.6929 3.7318 3.8241 3.8597 5.3167 5.3443 7.0595 7.0955 7.1373 7.1598 8.5008 8.5146 9.6195 9.7121 10.2054 10.3037 k = 0.5000 0.5000 0.4600 ( 11620 PWs) bands (ev): -8.1090 -8.1088 -8.1056 -8.1051 -8.0655 -8.0647 -8.0605 -8.0604 -3.2782 -3.2760 -3.2229 -3.2209 -1.6852 -1.6814 -1.5529 -1.5524 -1.5215 -1.5117 -0.9873 -0.9809 0.0744 0.0758 0.1349 0.1431 0.4323 0.4332 0.6052 0.6271 0.6272 0.6433 0.7305 0.7390 0.9566 0.9605 0.9911 0.9984 1.0381 1.0441 1.2828 1.3166 1.3712 1.3730 1.5529 1.5605 1.6147 1.6157 2.7788 2.8175 3.0218 3.0648 3.2832 3.2968 3.3476 3.3932 3.4332 3.5006 3.5797 3.5910 3.7159 3.7466 3.8251 3.8534 5.2976 5.3166 7.0470 7.0713 7.1227 7.1378 8.4881 8.4973 9.6345 9.6967 10.2322 10.3007 k = 0.5000 0.5000 0.4800 ( 11636 PWs) bands (ev): -8.1086 -8.1085 -8.1047 -8.1045 -8.0658 -8.0654 -8.0609 -8.0609 -3.2775 -3.2764 -3.2222 -3.2213 -1.6837 -1.6818 -1.5523 -1.5520 -1.5191 -1.5141 -0.9889 -0.9856 0.0730 0.0737 0.1345 0.1387 0.4326 0.4330 0.6138 0.6268 0.6276 0.6337 0.7330 0.7375 0.9572 0.9588 0.9947 0.9998 1.0320 1.0342 1.2915 1.3089 1.3697 1.3711 1.5545 1.5584 1.6141 1.6147 2.7972 2.8175 3.0363 3.0590 3.2964 3.3054 3.3606 3.3834 3.4502 3.4872 3.5831 3.5880 3.7350 3.7526 3.8287 3.8451 5.2880 5.2977 7.0419 7.0541 7.1154 7.1229 8.4813 8.4859 9.6497 9.6809 10.2551 10.2901 k = 0.5000 0.5000 0.5000 ( 11656 PWs) bands (ev): -8.1084 -8.1084 -8.1043 -8.1043 -8.0657 -8.0657 -8.0610 -8.0610 -3.2769 -3.2769 -3.2217 -3.2217 -1.6826 -1.6826 -1.5520 -1.5520 -1.5166 -1.5166 -0.9883 -0.9883 0.0728 0.0728 0.1358 0.1358 0.4328 0.4328 0.6225 0.6225 0.6283 0.6283 0.7354 0.7354 0.9577 0.9577 0.9986 0.9986 1.0299 1.0299 1.3003 1.3003 1.3698 1.3698 1.5563 1.5563 1.6141 1.6141 2.8104 2.8104 3.0491 3.0491 3.3046 3.3046 3.3723 3.3723 3.4695 3.4695 3.5857 3.5857 3.7482 3.7482 3.8360 3.8360 5.2880 5.2880 7.0443 7.0443 7.1154 7.1154 8.4806 8.4806 9.6652 9.6652 10.2745 10.2745 Writing output data file Ag2HgI4.save init_run : 4.38s CPU 12.07s WALL ( 1 calls) electrons : 2115.37s CPU 2133.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.69s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 2115.35s CPU 2133.01s WALL ( 1 calls) v_of_rho : 0.33s CPU 0.98s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.31s CPU 0.62s WALL ( 1 calls) newd : 0.71s CPU 0.86s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.22s WALL ( 254 calls) cegterg : 2029.84s CPU 2044.79s WALL ( 761 calls) Called by sum_band: Called by *egterg: h_psi : 1022.00s CPU 1032.52s WALL ( 13555 calls) s_psi : 72.64s CPU 72.86s WALL ( 13555 calls) g_psi : 3.02s CPU 3.07s WALL ( 12540 calls) cdiaghg : 594.17s CPU 591.83s WALL ( 12794 calls) cegterg:over : 187.45s CPU 184.55s WALL ( 12540 calls) cegterg:upda : 81.75s CPU 85.13s WALL ( 12540 calls) cegterg:last : 63.61s CPU 64.38s WALL ( 2137 calls) Called by h_psi: h_psi:vloc : 848.56s CPU 856.45s WALL ( 13555 calls) h_psi:vnl : 170.78s CPU 172.53s WALL ( 13555 calls) add_vuspsi : 65.99s CPU 70.35s WALL ( 13555 calls) General routines calbec : 104.72s CPU 102.04s WALL ( 13555 calls) fft : 0.62s CPU 1.50s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 790.55s CPU 796.89s WALL ( 1895924 calls) interpolate : 0.10s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 1.70s WALL ( 508 calls) Parallel routines fft_scatter : 466.01s CPU 461.52s WALL ( 1895947 calls) PWSCF : 36m48.56s CPU 39m27.14s WALL This run was terminated on: 7: 2:27 10Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=