Program PWSCF v.5.1.1 starts on 14Dec2015 at 4:30:44 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: ./HgSO4.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 56 25 7 3044 913 143 Max 57 26 8 3054 938 150 Sum 2721 1225 357 146361 44439 6969 bravais-lattice index = 14 lattice parameter (alat) = 9.0386 a.u. unit-cell volume = 1022.1232 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 84.00 number of Kohn-Sham states= 100 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.038559 celldm(2)= 1.007109 celldm(3)= 1.374451 celldm(4)= 0.000175 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 1.007109 0.000000 ) a(3) = ( 0.000000 0.000240 1.374451 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.992942 -0.000173 ) b(3) = ( 0.000000 0.000000 0.727563 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 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. # 3 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Hg 12.00 200.59000 Hg( 1.00) O 6.00 15.99940 O( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 274 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0000000 0.0000000 0.0151576), wk = 0.0036496 k( 3) = ( 0.0000000 0.0000000 0.0303151), wk = 0.0036496 k( 4) = ( 0.0000000 0.0000000 0.0454727), wk = 0.0036496 k( 5) = ( 0.0000000 0.0000000 0.0606303), wk = 0.0036496 k( 6) = ( 0.0000000 0.0000000 0.0757878), wk = 0.0036496 k( 7) = ( 0.0000000 0.0000000 0.0909454), wk = 0.0036496 k( 8) = ( 0.0000000 0.0000000 0.1061030), wk = 0.0036496 k( 9) = ( 0.0000000 0.0000000 0.1212605), wk = 0.0036496 k( 10) = ( 0.0000000 0.0000000 0.1364181), wk = 0.0036496 k( 11) = ( 0.0000000 0.0000000 0.1515757), wk = 0.0036496 k( 12) = ( 0.0000000 0.0000000 0.1667332), wk = 0.0036496 k( 13) = ( 0.0000000 0.0000000 0.1818908), wk = 0.0036496 k( 14) = ( 0.0000000 0.0000000 0.1970483), wk = 0.0036496 k( 15) = ( 0.0000000 0.0000000 0.2122059), wk = 0.0036496 k( 16) = ( 0.0000000 0.0000000 0.2273635), wk = 0.0036496 k( 17) = ( 0.0000000 0.0000000 0.2425210), wk = 0.0036496 k( 18) = ( 0.0000000 0.0000000 0.2576786), wk = 0.0036496 k( 19) = ( 0.0000000 0.0000000 0.2728362), wk = 0.0036496 k( 20) = ( 0.0000000 0.0000000 0.2879937), wk = 0.0036496 k( 21) = ( 0.0000000 0.0000000 0.3031513), wk = 0.0036496 k( 22) = ( 0.0000000 0.0000000 0.3183089), wk = 0.0036496 k( 23) = ( 0.0000000 0.0000000 0.3334664), wk = 0.0036496 k( 24) = ( 0.0000000 0.0000000 0.3486240), wk = 0.0036496 k( 25) = ( 0.0000000 0.0000000 0.3637816), wk = 0.0036496 k( 26) = ( 0.0000000 0.0000000 0.3637816), wk = 0.0036496 k( 27) = ( 0.0000000 0.0150426 0.3637816), wk = 0.0036496 k( 28) = ( 0.0000000 0.0300853 0.3637816), wk = 0.0036496 k( 29) = ( 0.0000000 0.0451279 0.3637816), wk = 0.0036496 k( 30) = ( 0.0000000 0.0601706 0.3637816), wk = 0.0036496 k( 31) = ( 0.0000000 0.0752132 0.3637816), wk = 0.0036496 k( 32) = ( 0.0000000 0.0902559 0.3637816), wk = 0.0036496 k( 33) = ( 0.0000000 0.1052985 0.3637816), wk = 0.0036496 k( 34) = ( 0.0000000 0.1203412 0.3637816), wk = 0.0036496 k( 35) = ( 0.0000000 0.1353838 0.3637816), wk = 0.0036496 k( 36) = ( 0.0000000 0.1504265 0.3637816), wk = 0.0036496 k( 37) = ( 0.0000000 0.1654691 0.3637816), wk = 0.0036496 k( 38) = ( 0.0000000 0.1805118 0.3637816), wk = 0.0036496 k( 39) = ( 0.0000000 0.1955544 0.3637816), wk = 0.0036496 k( 40) = ( 0.0000000 0.2105971 0.3637816), wk = 0.0036496 k( 41) = ( 0.0000000 0.2256397 0.3637816), wk = 0.0036496 k( 42) = ( 0.0000000 0.2406824 0.3637816), wk = 0.0036496 k( 43) = ( 0.0000000 0.2557250 0.3637816), wk = 0.0036496 k( 44) = ( 0.0000000 0.2707676 0.3637816), wk = 0.0036496 k( 45) = ( 0.0000000 0.2858103 0.3637816), wk = 0.0036496 k( 46) = ( 0.0000000 0.3008529 0.3637816), wk = 0.0036496 k( 47) = ( 0.0000000 0.3158956 0.3637816), wk = 0.0036496 k( 48) = ( 0.0000000 0.3309382 0.3637816), wk = 0.0036496 k( 49) = ( 0.0000000 0.3459809 0.3637816), wk = 0.0036496 k( 50) = ( 0.0000000 0.3610235 0.3637816), wk = 0.0036496 k( 51) = ( 0.0000000 0.3760662 0.3637816), wk = 0.0036496 k( 52) = ( 0.0000000 0.3911088 0.3637816), wk = 0.0036496 k( 53) = ( 0.0000000 0.4061515 0.3637816), wk = 0.0036496 k( 54) = ( 0.0000000 0.4211941 0.3637816), wk = 0.0036496 k( 55) = ( 0.0000000 0.4362368 0.3637816), wk = 0.0036496 k( 56) = ( 0.0000000 0.4512794 0.3637816), wk = 0.0036496 k( 57) = ( 0.0000000 0.4663221 0.3637816), wk = 0.0036496 k( 58) = ( 0.0000000 0.4813647 0.3637816), wk = 0.0036496 k( 59) = ( 0.0000000 0.4964074 0.3637816), wk = 0.0036496 k( 60) = ( 0.0000000 0.4964074 0.3637816), wk = 0.0036496 k( 61) = ( 0.0000000 0.4964708 0.3636949), wk = 0.0036496 k( 62) = ( 0.0000000 0.4964708 0.3636949), wk = 0.0036496 k( 63) = ( 0.0151515 0.4964708 0.3636949), wk = 0.0036496 k( 64) = ( 0.0303030 0.4964708 0.3636949), wk = 0.0036496 k( 65) = ( 0.0454546 0.4964708 0.3636949), wk = 0.0036496 k( 66) = ( 0.0606061 0.4964708 0.3636949), wk = 0.0036496 k( 67) = ( 0.0757576 0.4964708 0.3636949), wk = 0.0036496 k( 68) = ( 0.0909091 0.4964708 0.3636949), wk = 0.0036496 k( 69) = ( 0.1060606 0.4964708 0.3636949), wk = 0.0036496 k( 70) = ( 0.1212121 0.4964708 0.3636949), wk = 0.0036496 k( 71) = ( 0.1363636 0.4964708 0.3636949), wk = 0.0036496 k( 72) = ( 0.1515151 0.4964708 0.3636949), wk = 0.0036496 k( 73) = ( 0.1666667 0.4964708 0.3636949), wk = 0.0036496 k( 74) = ( 0.1818182 0.4964708 0.3636949), wk = 0.0036496 k( 75) = ( 0.1969697 0.4964708 0.3636949), wk = 0.0036496 k( 76) = ( 0.2121212 0.4964708 0.3636949), wk = 0.0036496 k( 77) = ( 0.2272727 0.4964708 0.3636949), wk = 0.0036496 k( 78) = ( 0.2424242 0.4964708 0.3636949), wk = 0.0036496 k( 79) = ( 0.2575758 0.4964708 0.3636949), wk = 0.0036496 k( 80) = ( 0.2727273 0.4964708 0.3636949), wk = 0.0036496 k( 81) = ( 0.2878788 0.4964708 0.3636949), wk = 0.0036496 k( 82) = ( 0.3030303 0.4964708 0.3636949), wk = 0.0036496 k( 83) = ( 0.3181818 0.4964708 0.3636949), wk = 0.0036496 k( 84) = ( 0.3333333 0.4964708 0.3636949), wk = 0.0036496 k( 85) = ( 0.3484849 0.4964708 0.3636949), wk = 0.0036496 k( 86) = ( 0.3636364 0.4964708 0.3636949), wk = 0.0036496 k( 87) = ( 0.3787879 0.4964708 0.3636949), wk = 0.0036496 k( 88) = ( 0.3939394 0.4964708 0.3636949), wk = 0.0036496 k( 89) = ( 0.4090909 0.4964708 0.3636949), wk = 0.0036496 k( 90) = ( 0.4242424 0.4964708 0.3636949), wk = 0.0036496 k( 91) = ( 0.4393939 0.4964708 0.3636949), wk = 0.0036496 k( 92) = ( 0.4545455 0.4964708 0.3636949), wk = 0.0036496 k( 93) = ( 0.4696970 0.4964708 0.3636949), wk = 0.0036496 k( 94) = ( 0.4848485 0.4964708 0.3636949), wk = 0.0036496 k( 95) = ( 0.5000000 0.4964708 0.3636949), wk = 0.0036496 k( 96) = ( 0.5000000 0.4964708 0.3636949), wk = 0.0036496 k( 97) = ( 0.5000000 0.4965343 0.3636083), wk = 0.0036496 k( 98) = ( 0.5000000 0.4965343 0.3636083), wk = 0.0036496 k( 99) = ( 0.5000000 0.4965317 0.3484543), wk = 0.0036496 k( 100) = ( 0.5000000 0.4965290 0.3333004), wk = 0.0036496 k( 101) = ( 0.5000000 0.4965264 0.3181464), wk = 0.0036496 k( 102) = ( 0.5000000 0.4965237 0.3029924), wk = 0.0036496 k( 103) = ( 0.5000000 0.4965211 0.2878385), wk = 0.0036496 k( 104) = ( 0.5000000 0.4965184 0.2726845), wk = 0.0036496 k( 105) = ( 0.5000000 0.4965158 0.2575306), wk = 0.0036496 k( 106) = ( 0.5000000 0.4965132 0.2423766), wk = 0.0036496 k( 107) = ( 0.5000000 0.4965105 0.2272227), wk = 0.0036496 k( 108) = ( 0.5000000 0.4965079 0.2120687), wk = 0.0036496 k( 109) = ( 0.5000000 0.4965052 0.1969148), wk = 0.0036496 k( 110) = ( 0.5000000 0.4965026 0.1817608), wk = 0.0036496 k( 111) = ( 0.5000000 0.4964999 0.1666069), wk = 0.0036496 k( 112) = ( 0.5000000 0.4964973 0.1514529), wk = 0.0036496 k( 113) = ( 0.5000000 0.4964946 0.1362989), wk = 0.0036496 k( 114) = ( 0.5000000 0.4964920 0.1211450), wk = 0.0036496 k( 115) = ( 0.5000000 0.4964894 0.1059910), wk = 0.0036496 k( 116) = ( 0.5000000 0.4964867 0.0908371), wk = 0.0036496 k( 117) = ( 0.5000000 0.4964841 0.0756831), wk = 0.0036496 k( 118) = ( 0.5000000 0.4964814 0.0605292), wk = 0.0036496 k( 119) = ( 0.5000000 0.4964788 0.0453752), wk = 0.0036496 k( 120) = ( 0.5000000 0.4964761 0.0302213), wk = 0.0036496 k( 121) = ( 0.5000000 0.4964735 0.0150673), wk = 0.0036496 k( 122) = ( 0.5000000 0.4964708 -0.0000867), wk = 0.0036496 k( 123) = ( 0.5000000 0.4964708 -0.0000867), wk = 0.0036496 k( 124) = ( 0.4848485 0.4964708 -0.0000867), wk = 0.0036496 k( 125) = ( 0.4696970 0.4964708 -0.0000867), wk = 0.0036496 k( 126) = ( 0.4545455 0.4964708 -0.0000867), wk = 0.0036496 k( 127) = ( 0.4393939 0.4964708 -0.0000867), wk = 0.0036496 k( 128) = ( 0.4242424 0.4964708 -0.0000867), wk = 0.0036496 k( 129) = ( 0.4090909 0.4964708 -0.0000867), wk = 0.0036496 k( 130) = ( 0.3939394 0.4964708 -0.0000867), wk = 0.0036496 k( 131) = ( 0.3787879 0.4964708 -0.0000867), wk = 0.0036496 k( 132) = ( 0.3636364 0.4964708 -0.0000867), wk = 0.0036496 k( 133) = ( 0.3484849 0.4964708 -0.0000867), wk = 0.0036496 k( 134) = ( 0.3333333 0.4964708 -0.0000867), wk = 0.0036496 k( 135) = ( 0.3181818 0.4964708 -0.0000867), wk = 0.0036496 k( 136) = ( 0.3030303 0.4964708 -0.0000867), wk = 0.0036496 k( 137) = ( 0.2878788 0.4964708 -0.0000867), wk = 0.0036496 k( 138) = ( 0.2727273 0.4964708 -0.0000867), wk = 0.0036496 k( 139) = ( 0.2575758 0.4964708 -0.0000867), wk = 0.0036496 k( 140) = ( 0.2424242 0.4964708 -0.0000867), wk = 0.0036496 k( 141) = ( 0.2272727 0.4964708 -0.0000867), wk = 0.0036496 k( 142) = ( 0.2121212 0.4964708 -0.0000867), wk = 0.0036496 k( 143) = ( 0.1969697 0.4964708 -0.0000867), wk = 0.0036496 k( 144) = ( 0.1818182 0.4964708 -0.0000867), wk = 0.0036496 k( 145) = ( 0.1666667 0.4964708 -0.0000867), wk = 0.0036496 k( 146) = ( 0.1515151 0.4964708 -0.0000867), wk = 0.0036496 k( 147) = ( 0.1363636 0.4964708 -0.0000867), wk = 0.0036496 k( 148) = ( 0.1212121 0.4964708 -0.0000867), wk = 0.0036496 k( 149) = ( 0.1060606 0.4964708 -0.0000867), wk = 0.0036496 k( 150) = ( 0.0909091 0.4964708 -0.0000867), wk = 0.0036496 k( 151) = ( 0.0757576 0.4964708 -0.0000867), wk = 0.0036496 k( 152) = ( 0.0606061 0.4964708 -0.0000867), wk = 0.0036496 k( 153) = ( 0.0454546 0.4964708 -0.0000867), wk = 0.0036496 k( 154) = ( 0.0303030 0.4964708 -0.0000867), wk = 0.0036496 k( 155) = ( 0.0151515 0.4964708 -0.0000867), wk = 0.0036496 k( 156) = ( 0.0000000 0.4964708 -0.0000867), wk = 0.0036496 k( 157) = ( 0.0000000 0.4964708 -0.0000867), wk = 0.0036496 k( 158) = ( 0.0000000 0.4964735 0.0150673), wk = 0.0036496 k( 159) = ( 0.0000000 0.4964761 0.0302213), wk = 0.0036496 k( 160) = ( 0.0000000 0.4964788 0.0453752), wk = 0.0036496 k( 161) = ( 0.0000000 0.4964814 0.0605292), wk = 0.0036496 k( 162) = ( 0.0000000 0.4964841 0.0756831), wk = 0.0036496 k( 163) = ( 0.0000000 0.4964867 0.0908371), wk = 0.0036496 k( 164) = ( 0.0000000 0.4964894 0.1059910), wk = 0.0036496 k( 165) = ( 0.0000000 0.4964920 0.1211450), wk = 0.0036496 k( 166) = ( 0.0000000 0.4964946 0.1362989), wk = 0.0036496 k( 167) = ( 0.0000000 0.4964973 0.1514529), wk = 0.0036496 k( 168) = ( 0.0000000 0.4964999 0.1666069), wk = 0.0036496 k( 169) = ( 0.0000000 0.4965026 0.1817608), wk = 0.0036496 k( 170) = ( 0.0000000 0.4965052 0.1969148), wk = 0.0036496 k( 171) = ( 0.0000000 0.4965079 0.2120687), wk = 0.0036496 k( 172) = ( 0.0000000 0.4965105 0.2272227), wk = 0.0036496 k( 173) = ( 0.0000000 0.4965132 0.2423766), wk = 0.0036496 k( 174) = ( 0.0000000 0.4965158 0.2575306), wk = 0.0036496 k( 175) = ( 0.0000000 0.4965184 0.2726845), wk = 0.0036496 k( 176) = ( 0.0000000 0.4965211 0.2878385), wk = 0.0036496 k( 177) = ( 0.0000000 0.4965237 0.3029924), wk = 0.0036496 k( 178) = ( 0.0000000 0.4965264 0.3181464), wk = 0.0036496 k( 179) = ( 0.0000000 0.4965290 0.3333004), wk = 0.0036496 k( 180) = ( 0.0000000 0.4965317 0.3484543), wk = 0.0036496 k( 181) = ( 0.0000000 0.4965343 0.3636083), wk = 0.0036496 k( 182) = ( 0.5000000 0.4964074 0.3637816), wk = 0.0036496 k( 183) = ( 0.5000000 0.4813647 0.3637816), wk = 0.0036496 k( 184) = ( 0.5000000 0.4663221 0.3637816), wk = 0.0036496 k( 185) = ( 0.5000000 0.4512794 0.3637816), wk = 0.0036496 k( 186) = ( 0.5000000 0.4362368 0.3637816), wk = 0.0036496 k( 187) = ( 0.5000000 0.4211941 0.3637816), wk = 0.0036496 k( 188) = ( 0.5000000 0.4061515 0.3637816), wk = 0.0036496 k( 189) = ( 0.5000000 0.3911088 0.3637816), wk = 0.0036496 k( 190) = ( 0.5000000 0.3760662 0.3637816), wk = 0.0036496 k( 191) = ( 0.5000000 0.3610235 0.3637816), wk = 0.0036496 k( 192) = ( 0.5000000 0.3459809 0.3637816), wk = 0.0036496 k( 193) = ( 0.5000000 0.3309382 0.3637816), wk = 0.0036496 k( 194) = ( 0.5000000 0.3158956 0.3637816), wk = 0.0036496 k( 195) = ( 0.5000000 0.3008529 0.3637816), wk = 0.0036496 k( 196) = ( 0.5000000 0.2858103 0.3637816), wk = 0.0036496 k( 197) = ( 0.5000000 0.2707676 0.3637816), wk = 0.0036496 k( 198) = ( 0.5000000 0.2557250 0.3637816), wk = 0.0036496 k( 199) = ( 0.5000000 0.2406824 0.3637816), wk = 0.0036496 k( 200) = ( 0.5000000 0.2256397 0.3637816), wk = 0.0036496 k( 201) = ( 0.5000000 0.2105971 0.3637816), wk = 0.0036496 k( 202) = ( 0.5000000 0.1955544 0.3637816), wk = 0.0036496 k( 203) = ( 0.5000000 0.1805118 0.3637816), wk = 0.0036496 k( 204) = ( 0.5000000 0.1654691 0.3637816), wk = 0.0036496 k( 205) = ( 0.5000000 0.1504265 0.3637816), wk = 0.0036496 k( 206) = ( 0.5000000 0.1353838 0.3637816), wk = 0.0036496 k( 207) = ( 0.5000000 0.1203412 0.3637816), wk = 0.0036496 k( 208) = ( 0.5000000 0.1052985 0.3637816), wk = 0.0036496 k( 209) = ( 0.5000000 0.0902559 0.3637816), wk = 0.0036496 k( 210) = ( 0.5000000 0.0752132 0.3637816), wk = 0.0036496 k( 211) = ( 0.5000000 0.0601706 0.3637816), wk = 0.0036496 k( 212) = ( 0.5000000 0.0451279 0.3637816), wk = 0.0036496 k( 213) = ( 0.5000000 0.0300853 0.3637816), wk = 0.0036496 k( 214) = ( 0.5000000 0.0150426 0.3637816), wk = 0.0036496 k( 215) = ( 0.5000000 -0.0000000 0.3637816), wk = 0.0036496 k( 216) = ( 0.5000000 -0.0000000 0.3637816), wk = 0.0036496 k( 217) = ( 0.5000000 -0.0000000 0.3486240), wk = 0.0036496 k( 218) = ( 0.5000000 -0.0000000 0.3334664), wk = 0.0036496 k( 219) = ( 0.5000000 -0.0000000 0.3183089), wk = 0.0036496 k( 220) = ( 0.5000000 -0.0000000 0.3031513), wk = 0.0036496 k( 221) = ( 0.5000000 -0.0000000 0.2879937), wk = 0.0036496 k( 222) = ( 0.5000000 -0.0000000 0.2728362), wk = 0.0036496 k( 223) = ( 0.5000000 -0.0000000 0.2576786), wk = 0.0036496 k( 224) = ( 0.5000000 -0.0000000 0.2425210), wk = 0.0036496 k( 225) = ( 0.5000000 -0.0000000 0.2273635), wk = 0.0036496 k( 226) = ( 0.5000000 -0.0000000 0.2122059), wk = 0.0036496 k( 227) = ( 0.5000000 -0.0000000 0.1970483), wk = 0.0036496 k( 228) = ( 0.5000000 -0.0000000 0.1818908), wk = 0.0036496 k( 229) = ( 0.5000000 -0.0000000 0.1667332), wk = 0.0036496 k( 230) = ( 0.5000000 -0.0000000 0.1515757), wk = 0.0036496 k( 231) = ( 0.5000000 -0.0000000 0.1364181), wk = 0.0036496 k( 232) = ( 0.5000000 -0.0000000 0.1212605), wk = 0.0036496 k( 233) = ( 0.5000000 -0.0000000 0.1061030), wk = 0.0036496 k( 234) = ( 0.5000000 -0.0000000 0.0909454), wk = 0.0036496 k( 235) = ( 0.5000000 -0.0000000 0.0757878), wk = 0.0036496 k( 236) = ( 0.5000000 -0.0000000 0.0606303), wk = 0.0036496 k( 237) = ( 0.5000000 -0.0000000 0.0454727), wk = 0.0036496 k( 238) = ( 0.5000000 -0.0000000 0.0303151), wk = 0.0036496 k( 239) = ( 0.5000000 -0.0000000 0.0151576), wk = 0.0036496 k( 240) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036496 k( 241) = ( 0.0000000 0.0000000 0.3637816), wk = 0.0036496 k( 242) = ( 0.0151515 -0.0000000 0.3637816), wk = 0.0036496 k( 243) = ( 0.0303030 -0.0000000 0.3637816), wk = 0.0036496 k( 244) = ( 0.0454546 -0.0000000 0.3637816), wk = 0.0036496 k( 245) = ( 0.0606061 -0.0000000 0.3637816), wk = 0.0036496 k( 246) = ( 0.0757576 -0.0000000 0.3637816), wk = 0.0036496 k( 247) = ( 0.0909091 -0.0000000 0.3637816), wk = 0.0036496 k( 248) = ( 0.1060606 -0.0000000 0.3637816), wk = 0.0036496 k( 249) = ( 0.1212121 -0.0000000 0.3637816), wk = 0.0036496 k( 250) = ( 0.1363636 -0.0000000 0.3637816), wk = 0.0036496 k( 251) = ( 0.1515151 -0.0000000 0.3637816), wk = 0.0036496 k( 252) = ( 0.1666667 -0.0000000 0.3637816), wk = 0.0036496 k( 253) = ( 0.1818182 -0.0000000 0.3637816), wk = 0.0036496 k( 254) = ( 0.1969697 -0.0000000 0.3637816), wk = 0.0036496 k( 255) = ( 0.2121212 -0.0000000 0.3637816), wk = 0.0036496 k( 256) = ( 0.2272727 -0.0000000 0.3637816), wk = 0.0036496 k( 257) = ( 0.2424242 -0.0000000 0.3637816), wk = 0.0036496 k( 258) = ( 0.2575758 -0.0000000 0.3637816), wk = 0.0036496 k( 259) = ( 0.2727273 -0.0000000 0.3637816), wk = 0.0036496 k( 260) = ( 0.2878788 -0.0000000 0.3637816), wk = 0.0036496 k( 261) = ( 0.3030303 -0.0000000 0.3637816), wk = 0.0036496 k( 262) = ( 0.3181818 -0.0000000 0.3637816), wk = 0.0036496 k( 263) = ( 0.3333333 -0.0000000 0.3637816), wk = 0.0036496 k( 264) = ( 0.3484849 -0.0000000 0.3637816), wk = 0.0036496 k( 265) = ( 0.3636364 -0.0000000 0.3637816), wk = 0.0036496 k( 266) = ( 0.3787879 -0.0000000 0.3637816), wk = 0.0036496 k( 267) = ( 0.3939394 -0.0000000 0.3637816), wk = 0.0036496 k( 268) = ( 0.4090909 -0.0000000 0.3637816), wk = 0.0036496 k( 269) = ( 0.4242424 -0.0000000 0.3637816), wk = 0.0036496 k( 270) = ( 0.4393939 -0.0000000 0.3637816), wk = 0.0036496 k( 271) = ( 0.4545455 -0.0000000 0.3637816), wk = 0.0036496 k( 272) = ( 0.4696970 -0.0000000 0.3637816), wk = 0.0036496 k( 273) = ( 0.4848485 -0.0000000 0.3637816), wk = 0.0036496 k( 274) = ( 0.5000000 -0.0000000 0.3637816), wk = 0.0036496 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0036496 k( 3) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0036496 k( 4) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0036496 k( 5) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0036496 k( 6) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0036496 k( 7) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036496 k( 8) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0036496 k( 9) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036496 k( 10) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0036496 k( 11) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0036496 k( 12) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0036496 k( 13) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036496 k( 14) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0036496 k( 15) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0036496 k( 16) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0036496 k( 17) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036496 k( 18) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0036496 k( 19) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036496 k( 20) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0036496 k( 21) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0036496 k( 22) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0036496 k( 23) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0036496 k( 24) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0036496 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 27) = ( 0.0000000 0.0151496 0.5000036), wk = 0.0036496 k( 28) = ( 0.0000000 0.0302992 0.5000072), wk = 0.0036496 k( 29) = ( 0.0000000 0.0454487 0.5000108), wk = 0.0036496 k( 30) = ( 0.0000000 0.0605983 0.5000144), wk = 0.0036496 k( 31) = ( 0.0000000 0.0757479 0.5000180), wk = 0.0036496 k( 32) = ( 0.0000000 0.0908975 0.5000216), wk = 0.0036496 k( 33) = ( 0.0000000 0.1060471 0.5000253), wk = 0.0036496 k( 34) = ( 0.0000000 0.1211966 0.5000289), wk = 0.0036496 k( 35) = ( 0.0000000 0.1363462 0.5000325), wk = 0.0036496 k( 36) = ( 0.0000000 0.1514958 0.5000361), wk = 0.0036496 k( 37) = ( 0.0000000 0.1666454 0.5000397), wk = 0.0036496 k( 38) = ( 0.0000000 0.1817949 0.5000433), wk = 0.0036496 k( 39) = ( 0.0000000 0.1969445 0.5000469), wk = 0.0036496 k( 40) = ( 0.0000000 0.2120941 0.5000505), wk = 0.0036496 k( 41) = ( 0.0000000 0.2272437 0.5000541), wk = 0.0036496 k( 42) = ( 0.0000000 0.2423933 0.5000577), wk = 0.0036496 k( 43) = ( 0.0000000 0.2575428 0.5000614), wk = 0.0036496 k( 44) = ( 0.0000000 0.2726924 0.5000649), wk = 0.0036496 k( 45) = ( 0.0000000 0.2878420 0.5000686), wk = 0.0036496 k( 46) = ( 0.0000000 0.3029916 0.5000722), wk = 0.0036496 k( 47) = ( 0.0000000 0.3181411 0.5000758), wk = 0.0036496 k( 48) = ( 0.0000000 0.3332907 0.5000794), wk = 0.0036496 k( 49) = ( 0.0000000 0.3484403 0.5000830), wk = 0.0036496 k( 50) = ( 0.0000000 0.3635899 0.5000866), wk = 0.0036496 k( 51) = ( 0.0000000 0.3787394 0.5000902), wk = 0.0036496 k( 52) = ( 0.0000000 0.3938890 0.5000938), wk = 0.0036496 k( 53) = ( 0.0000000 0.4090386 0.5000974), wk = 0.0036496 k( 54) = ( 0.0000000 0.4241882 0.5001010), wk = 0.0036496 k( 55) = ( 0.0000000 0.4393378 0.5001046), wk = 0.0036496 k( 56) = ( 0.0000000 0.4544873 0.5001083), wk = 0.0036496 k( 57) = ( 0.0000000 0.4696369 0.5001119), wk = 0.0036496 k( 58) = ( 0.0000000 0.4847865 0.5001155), wk = 0.0036496 k( 59) = ( 0.0000000 0.4999361 0.5001191), wk = 0.0036496 k( 60) = ( 0.0000000 0.4999361 0.5001191), wk = 0.0036496 k( 61) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036496 k( 62) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036496 k( 63) = ( 0.0151515 0.5000000 0.5000000), wk = 0.0036496 k( 64) = ( 0.0303030 0.5000000 0.5000000), wk = 0.0036496 k( 65) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0036496 k( 66) = ( 0.0606061 0.5000000 0.5000000), wk = 0.0036496 k( 67) = ( 0.0757576 0.5000000 0.5000000), wk = 0.0036496 k( 68) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0036496 k( 69) = ( 0.1060606 0.5000000 0.5000000), wk = 0.0036496 k( 70) = ( 0.1212121 0.5000000 0.5000000), wk = 0.0036496 k( 71) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0036496 k( 72) = ( 0.1515151 0.5000000 0.5000000), wk = 0.0036496 k( 73) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0036496 k( 74) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0036496 k( 75) = ( 0.1969697 0.5000000 0.5000000), wk = 0.0036496 k( 76) = ( 0.2121212 0.5000000 0.5000000), wk = 0.0036496 k( 77) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0036496 k( 78) = ( 0.2424242 0.5000000 0.5000000), wk = 0.0036496 k( 79) = ( 0.2575758 0.5000000 0.5000000), wk = 0.0036496 k( 80) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0036496 k( 81) = ( 0.2878788 0.5000000 0.5000000), wk = 0.0036496 k( 82) = ( 0.3030303 0.5000000 0.5000000), wk = 0.0036496 k( 83) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0036496 k( 84) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0036496 k( 85) = ( 0.3484849 0.5000000 0.5000000), wk = 0.0036496 k( 86) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0036496 k( 87) = ( 0.3787879 0.5000000 0.5000000), wk = 0.0036496 k( 88) = ( 0.3939394 0.5000000 0.5000000), wk = 0.0036496 k( 89) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0036496 k( 90) = ( 0.4242424 0.5000000 0.5000000), wk = 0.0036496 k( 91) = ( 0.4393939 0.5000000 0.5000000), wk = 0.0036496 k( 92) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0036496 k( 93) = ( 0.4696970 0.5000000 0.5000000), wk = 0.0036496 k( 94) = ( 0.4848485 0.5000000 0.5000000), wk = 0.0036496 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036496 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036496 k( 97) = ( 0.5000000 0.5000639 0.4998809), wk = 0.0036496 k( 98) = ( 0.5000000 0.5000639 0.4998809), wk = 0.0036496 k( 99) = ( 0.5000000 0.5000613 0.4790526), wk = 0.0036496 k( 100) = ( 0.5000000 0.5000586 0.4582242), wk = 0.0036496 k( 101) = ( 0.5000000 0.5000559 0.4373958), wk = 0.0036496 k( 102) = ( 0.5000000 0.5000533 0.4165674), wk = 0.0036496 k( 103) = ( 0.5000000 0.5000506 0.3957391), wk = 0.0036496 k( 104) = ( 0.5000000 0.5000479 0.3749107), wk = 0.0036496 k( 105) = ( 0.5000000 0.5000453 0.3540823), wk = 0.0036496 k( 106) = ( 0.5000000 0.5000426 0.3332540), wk = 0.0036496 k( 107) = ( 0.5000000 0.5000399 0.3124256), wk = 0.0036496 k( 108) = ( 0.5000000 0.5000373 0.2915972), wk = 0.0036496 k( 109) = ( 0.5000000 0.5000346 0.2707688), wk = 0.0036496 k( 110) = ( 0.5000000 0.5000320 0.2499405), wk = 0.0036496 k( 111) = ( 0.5000000 0.5000293 0.2291121), wk = 0.0036496 k( 112) = ( 0.5000000 0.5000266 0.2082837), wk = 0.0036496 k( 113) = ( 0.5000000 0.5000240 0.1874553), wk = 0.0036496 k( 114) = ( 0.5000000 0.5000213 0.1666270), wk = 0.0036496 k( 115) = ( 0.5000000 0.5000187 0.1457986), wk = 0.0036496 k( 116) = ( 0.5000000 0.5000160 0.1249702), wk = 0.0036496 k( 117) = ( 0.5000000 0.5000133 0.1041419), wk = 0.0036496 k( 118) = ( 0.5000000 0.5000106 0.0833135), wk = 0.0036496 k( 119) = ( 0.5000000 0.5000080 0.0624851), wk = 0.0036496 k( 120) = ( 0.5000000 0.5000053 0.0416567), wk = 0.0036496 k( 121) = ( 0.5000000 0.5000027 0.0208284), wk = 0.0036496 k( 122) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036496 k( 123) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036496 k( 124) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0036496 k( 125) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0036496 k( 126) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0036496 k( 127) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0036496 k( 128) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0036496 k( 129) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0036496 k( 130) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0036496 k( 131) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0036496 k( 132) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0036496 k( 133) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0036496 k( 134) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0036496 k( 135) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0036496 k( 136) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0036496 k( 137) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0036496 k( 138) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0036496 k( 139) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0036496 k( 140) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0036496 k( 141) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0036496 k( 142) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0036496 k( 143) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0036496 k( 144) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0036496 k( 145) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0036496 k( 146) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0036496 k( 147) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0036496 k( 148) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0036496 k( 149) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0036496 k( 150) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0036496 k( 151) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0036496 k( 152) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0036496 k( 153) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0036496 k( 154) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0036496 k( 155) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0036496 k( 156) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036496 k( 157) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036496 k( 158) = ( 0.0000000 0.5000027 0.0208284), wk = 0.0036496 k( 159) = ( 0.0000000 0.5000053 0.0416567), wk = 0.0036496 k( 160) = ( 0.0000000 0.5000080 0.0624851), wk = 0.0036496 k( 161) = ( 0.0000000 0.5000107 0.0833135), wk = 0.0036496 k( 162) = ( 0.0000000 0.5000133 0.1041419), wk = 0.0036496 k( 163) = ( 0.0000000 0.5000160 0.1249702), wk = 0.0036496 k( 164) = ( 0.0000000 0.5000187 0.1457986), wk = 0.0036496 k( 165) = ( 0.0000000 0.5000213 0.1666270), wk = 0.0036496 k( 166) = ( 0.0000000 0.5000240 0.1874553), wk = 0.0036496 k( 167) = ( 0.0000000 0.5000266 0.2082837), wk = 0.0036496 k( 168) = ( 0.0000000 0.5000293 0.2291121), wk = 0.0036496 k( 169) = ( 0.0000000 0.5000320 0.2499405), wk = 0.0036496 k( 170) = ( 0.0000000 0.5000346 0.2707688), wk = 0.0036496 k( 171) = ( 0.0000000 0.5000373 0.2915972), wk = 0.0036496 k( 172) = ( 0.0000000 0.5000400 0.3124256), wk = 0.0036496 k( 173) = ( 0.0000000 0.5000426 0.3332540), wk = 0.0036496 k( 174) = ( 0.0000000 0.5000453 0.3540823), wk = 0.0036496 k( 175) = ( 0.0000000 0.5000480 0.3749107), wk = 0.0036496 k( 176) = ( 0.0000000 0.5000506 0.3957391), wk = 0.0036496 k( 177) = ( 0.0000000 0.5000533 0.4165674), wk = 0.0036496 k( 178) = ( 0.0000000 0.5000559 0.4373958), wk = 0.0036496 k( 179) = ( 0.0000000 0.5000586 0.4582242), wk = 0.0036496 k( 180) = ( 0.0000000 0.5000613 0.4790526), wk = 0.0036496 k( 181) = ( 0.0000000 0.5000639 0.4998809), wk = 0.0036496 k( 182) = ( 0.5000000 0.4999361 0.5001191), wk = 0.0036496 k( 183) = ( 0.5000000 0.4847865 0.5001155), wk = 0.0036496 k( 184) = ( 0.5000000 0.4696369 0.5001119), wk = 0.0036496 k( 185) = ( 0.5000000 0.4544873 0.5001083), wk = 0.0036496 k( 186) = ( 0.5000000 0.4393378 0.5001047), wk = 0.0036496 k( 187) = ( 0.5000000 0.4241882 0.5001010), wk = 0.0036496 k( 188) = ( 0.5000000 0.4090386 0.5000974), wk = 0.0036496 k( 189) = ( 0.5000000 0.3938890 0.5000938), wk = 0.0036496 k( 190) = ( 0.5000000 0.3787394 0.5000902), wk = 0.0036496 k( 191) = ( 0.5000000 0.3635899 0.5000866), wk = 0.0036496 k( 192) = ( 0.5000000 0.3484403 0.5000830), wk = 0.0036496 k( 193) = ( 0.5000000 0.3332907 0.5000794), wk = 0.0036496 k( 194) = ( 0.5000000 0.3181411 0.5000758), wk = 0.0036496 k( 195) = ( 0.5000000 0.3029916 0.5000722), wk = 0.0036496 k( 196) = ( 0.5000000 0.2878420 0.5000686), wk = 0.0036496 k( 197) = ( 0.5000000 0.2726924 0.5000649), wk = 0.0036496 k( 198) = ( 0.5000000 0.2575428 0.5000613), wk = 0.0036496 k( 199) = ( 0.5000000 0.2423933 0.5000577), wk = 0.0036496 k( 200) = ( 0.5000000 0.2272437 0.5000541), wk = 0.0036496 k( 201) = ( 0.5000000 0.2120941 0.5000505), wk = 0.0036496 k( 202) = ( 0.5000000 0.1969445 0.5000469), wk = 0.0036496 k( 203) = ( 0.5000000 0.1817949 0.5000433), wk = 0.0036496 k( 204) = ( 0.5000000 0.1666454 0.5000397), wk = 0.0036496 k( 205) = ( 0.5000000 0.1514958 0.5000361), wk = 0.0036496 k( 206) = ( 0.5000000 0.1363462 0.5000325), wk = 0.0036496 k( 207) = ( 0.5000000 0.1211966 0.5000289), wk = 0.0036496 k( 208) = ( 0.5000000 0.1060471 0.5000253), wk = 0.0036496 k( 209) = ( 0.5000000 0.0908975 0.5000216), wk = 0.0036496 k( 210) = ( 0.5000000 0.0757479 0.5000180), wk = 0.0036496 k( 211) = ( 0.5000000 0.0605983 0.5000144), wk = 0.0036496 k( 212) = ( 0.5000000 0.0454487 0.5000108), wk = 0.0036496 k( 213) = ( 0.5000000 0.0302992 0.5000072), wk = 0.0036496 k( 214) = ( 0.5000000 0.0151496 0.5000036), wk = 0.0036496 k( 215) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036496 k( 216) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036496 k( 217) = ( 0.5000000 -0.0000000 0.4791667), wk = 0.0036496 k( 218) = ( 0.5000000 -0.0000000 0.4583333), wk = 0.0036496 k( 219) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0036496 k( 220) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0036496 k( 221) = ( 0.5000000 -0.0000000 0.3958333), wk = 0.0036496 k( 222) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0036496 k( 223) = ( 0.5000000 -0.0000000 0.3541667), wk = 0.0036496 k( 224) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0036496 k( 225) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0036496 k( 226) = ( 0.5000000 -0.0000000 0.2916667), wk = 0.0036496 k( 227) = ( 0.5000000 -0.0000000 0.2708333), wk = 0.0036496 k( 228) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0036496 k( 229) = ( 0.5000000 -0.0000000 0.2291667), wk = 0.0036496 k( 230) = ( 0.5000000 -0.0000000 0.2083333), wk = 0.0036496 k( 231) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0036496 k( 232) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0036496 k( 233) = ( 0.5000000 -0.0000000 0.1458333), wk = 0.0036496 k( 234) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0036496 k( 235) = ( 0.5000000 -0.0000000 0.1041667), wk = 0.0036496 k( 236) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0036496 k( 237) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0036496 k( 238) = ( 0.5000000 -0.0000000 0.0416667), wk = 0.0036496 k( 239) = ( 0.5000000 -0.0000000 0.0208333), wk = 0.0036496 k( 240) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036496 k( 241) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 242) = ( 0.0151515 -0.0000000 0.5000000), wk = 0.0036496 k( 243) = ( 0.0303030 -0.0000000 0.5000000), wk = 0.0036496 k( 244) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0036496 k( 245) = ( 0.0606061 -0.0000000 0.5000000), wk = 0.0036496 k( 246) = ( 0.0757576 -0.0000000 0.5000000), wk = 0.0036496 k( 247) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0036496 k( 248) = ( 0.1060606 -0.0000000 0.5000000), wk = 0.0036496 k( 249) = ( 0.1212121 -0.0000000 0.5000000), wk = 0.0036496 k( 250) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0036496 k( 251) = ( 0.1515151 -0.0000000 0.5000000), wk = 0.0036496 k( 252) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0036496 k( 253) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0036496 k( 254) = ( 0.1969697 -0.0000000 0.5000000), wk = 0.0036496 k( 255) = ( 0.2121212 -0.0000000 0.5000000), wk = 0.0036496 k( 256) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0036496 k( 257) = ( 0.2424242 -0.0000000 0.5000000), wk = 0.0036496 k( 258) = ( 0.2575758 -0.0000000 0.5000000), wk = 0.0036496 k( 259) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0036496 k( 260) = ( 0.2878788 0.0000000 0.5000000), wk = 0.0036496 k( 261) = ( 0.3030303 -0.0000000 0.5000000), wk = 0.0036496 k( 262) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0036496 k( 263) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0036496 k( 264) = ( 0.3484849 0.0000000 0.5000000), wk = 0.0036496 k( 265) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0036496 k( 266) = ( 0.3787879 -0.0000000 0.5000000), wk = 0.0036496 k( 267) = ( 0.3939394 0.0000000 0.5000000), wk = 0.0036496 k( 268) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0036496 k( 269) = ( 0.4242424 -0.0000000 0.5000000), wk = 0.0036496 k( 270) = ( 0.4393939 -0.0000000 0.5000000), wk = 0.0036496 k( 271) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0036496 k( 272) = ( 0.4696970 0.0000000 0.5000000), wk = 0.0036496 k( 273) = ( 0.4848485 -0.0000000 0.5000000), wk = 0.0036496 k( 274) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036496 Dense grid: 146361 G-vectors FFT dimensions: ( 60, 60, 81) Smooth grid: 44439 G-vectors FFT dimensions: ( 40, 40, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 248, 100) NL pseudopotentials 0.47 Mb ( 124, 248) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 3053) G-vector shells 0.02 Mb ( 3013) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.51 Mb ( 248, 400) Each subspace H/S matrix 2.44 Mb ( 400, 400) Each matrix 0.76 Mb ( 248, 2, 100) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./HgSO4.save/charge-density.dat Starting wfc are 116 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 56.4 secs Computing kpt #: 2 total cpu time spent up to now is 72.3 secs Computing kpt #: 3 total cpu time spent up to now is 87.8 secs Computing kpt #: 4 total cpu time spent up to now is 102.8 secs Computing kpt #: 5 total cpu time spent up to now is 117.6 secs Computing kpt #: 6 total cpu time spent up to now is 132.2 secs Computing kpt #: 7 total cpu time spent up to now is 146.9 secs Computing kpt #: 8 total cpu time spent up to now is 161.7 secs Computing kpt #: 9 total cpu time spent up to now is 176.3 secs Computing kpt #: 10 total cpu time spent up to now is 190.4 secs Computing kpt #: 11 total cpu time spent up to now is 204.7 secs Computing kpt #: 12 total cpu time spent up to now is 218.5 secs Computing kpt #: 13 total cpu time spent up to now is 232.8 secs Computing kpt #: 14 total cpu time spent up to now is 246.6 secs Computing kpt #: 15 total cpu time spent up to now is 259.1 secs Computing kpt #: 16 total cpu time spent up to now is 271.7 secs Computing kpt #: 17 total cpu time spent up to now is 284.2 secs Computing kpt #: 18 total cpu time spent up to now is 296.4 secs Computing kpt #: 19 total cpu time spent up to now is 308.5 secs Computing kpt #: 20 total cpu time spent up to now is 320.5 secs Computing kpt #: 21 total cpu time spent up to now is 332.3 secs Computing kpt #: 22 total cpu time spent up to now is 344.3 secs Computing kpt #: 23 total cpu time spent up to now is 356.0 secs Computing kpt #: 24 total cpu time spent up to now is 367.6 secs Computing kpt #: 25 total cpu time spent up to now is 378.9 secs Computing kpt #: 26 total cpu time spent up to now is 390.2 secs Computing kpt #: 27 total cpu time spent up to now is 401.8 secs Computing kpt #: 28 total cpu time spent up to now is 413.2 secs Computing kpt #: 29 total cpu time spent up to now is 424.6 secs Computing kpt #: 30 total cpu time spent up to now is 436.1 secs Computing kpt #: 31 total cpu time spent up to now is 447.8 secs Computing kpt #: 32 total cpu time spent up to now is 459.3 secs Computing kpt #: 33 total cpu time spent up to now is 471.0 secs Computing kpt #: 34 total cpu time spent up to now is 482.8 secs Computing kpt #: 35 total cpu time spent up to now is 494.5 secs Computing kpt #: 36 total cpu time spent up to now is 506.1 secs Computing kpt #: 37 total cpu time spent up to now is 517.9 secs Computing kpt #: 38 total cpu time spent up to now is 530.3 secs Computing kpt #: 39 total cpu time spent up to now is 543.6 secs Computing kpt #: 40 total cpu time spent up to now is 555.7 secs Computing kpt #: 41 total cpu time spent up to now is 568.2 secs Computing kpt #: 42 total cpu time spent up to now is 580.6 secs Computing kpt #: 43 total cpu time spent up to now is 592.9 secs Computing kpt #: 44 total cpu time spent up to now is 605.4 secs Computing kpt #: 45 total cpu time spent up to now is 618.2 secs Computing kpt #: 46 total cpu time spent up to now is 631.0 secs Computing kpt #: 47 total cpu time spent up to now is 643.5 secs Computing kpt #: 48 total cpu time spent up to now is 656.8 secs Computing kpt #: 49 total cpu time spent up to now is 669.8 secs Computing kpt #: 50 total cpu time spent up to now is 683.4 secs Computing kpt #: 51 total cpu time spent up to now is 697.4 secs Computing kpt #: 52 total cpu time spent up to now is 711.4 secs Computing kpt #: 53 total cpu time spent up to now is 725.3 secs Computing kpt #: 54 total cpu time spent up to now is 739.3 secs Computing kpt #: 55 total cpu time spent up to now is 753.3 secs Computing kpt #: 56 total cpu time spent up to now is 768.0 secs Computing kpt #: 57 total cpu time spent up to now is 782.3 secs Computing kpt #: 58 total cpu time spent up to now is 796.8 secs Computing kpt #: 59 total cpu time spent up to now is 811.0 secs Computing kpt #: 60 total cpu time spent up to now is 825.0 secs Computing kpt #: 61 total cpu time spent up to now is 841.0 secs Computing kpt #: 62 total cpu time spent up to now is 854.8 secs Computing kpt #: 63 total cpu time spent up to now is 868.9 secs Computing kpt #: 64 total cpu time spent up to now is 883.3 secs Computing kpt #: 65 total cpu time spent up to now is 898.2 secs Computing kpt #: 66 total cpu time spent up to now is 912.8 secs Computing kpt #: 67 total cpu time spent up to now is 927.1 secs Computing kpt #: 68 total cpu time spent up to now is 941.7 secs Computing kpt #: 69 total cpu time spent up to now is 958.1 secs Computing kpt #: 70 total cpu time spent up to now is 973.5 secs Computing kpt #: 71 total cpu time spent up to now is 987.8 secs Computing kpt #: 72 total cpu time spent up to now is 1002.3 secs Computing kpt #: 73 total cpu time spent up to now is 1015.8 secs Computing kpt #: 74 total cpu time spent up to now is 1029.0 secs Computing kpt #: 75 total cpu time spent up to now is 1042.4 secs Computing kpt #: 76 total cpu time spent up to now is 1055.6 secs Computing kpt #: 77 total cpu time spent up to now is 1068.2 secs Computing kpt #: 78 total cpu time spent up to now is 1080.6 secs Computing kpt #: 79 total cpu time spent up to now is 1092.8 secs Computing kpt #: 80 total cpu time spent up to now is 1105.5 secs Computing kpt #: 81 total cpu time spent up to now is 1117.6 secs Computing kpt #: 82 total cpu time spent up to now is 1129.8 secs Computing kpt #: 83 total cpu time spent up to now is 1142.2 secs Computing kpt #: 84 total cpu time spent up to now is 1154.1 secs Computing kpt #: 85 total cpu time spent up to now is 1165.8 secs Computing kpt #: 86 total cpu time spent up to now is 1177.8 secs Computing kpt #: 87 total cpu time spent up to now is 1189.4 secs Computing kpt #: 88 total cpu time spent up to now is 1201.3 secs Computing kpt #: 89 total cpu time spent up to now is 1213.0 secs Computing kpt #: 90 total cpu time spent up to now is 1224.6 secs Computing kpt #: 91 total cpu time spent up to now is 1236.1 secs Computing kpt #: 92 total cpu time spent up to now is 1247.4 secs Computing kpt #: 93 total cpu time spent up to now is 1258.8 secs Computing kpt #: 94 total cpu time spent up to now is 1270.2 secs Computing kpt #: 95 total cpu time spent up to now is 1281.2 secs Computing kpt #: 96 total cpu time spent up to now is 1292.6 secs Computing kpt #: 97 total cpu time spent up to now is 1304.1 secs Computing kpt #: 98 total cpu time spent up to now is 1315.5 secs Computing kpt #: 99 total cpu time spent up to now is 1326.8 secs Computing kpt #: 100 total cpu time spent up to now is 1338.2 secs Computing kpt #: 101 total cpu time spent up to now is 1349.5 secs Computing kpt #: 102 total cpu time spent up to now is 1360.9 secs Computing kpt #: 103 total cpu time spent up to now is 1372.3 secs Computing kpt #: 104 total cpu time spent up to now is 1383.8 secs Computing kpt #: 105 total cpu time spent up to now is 1395.4 secs Computing kpt #: 106 total cpu time spent up to now is 1406.8 secs Computing kpt #: 107 total cpu time spent up to now is 1418.3 secs Computing kpt #: 108 total cpu time spent up to now is 1429.8 secs Computing kpt #: 109 total cpu time spent up to now is 1441.7 secs Computing kpt #: 110 total cpu time spent up to now is 1453.2 secs Computing kpt #: 111 total cpu time spent up to now is 1464.6 secs Computing kpt #: 112 total cpu time spent up to now is 1475.9 secs Computing kpt #: 113 total cpu time spent up to now is 1487.3 secs Computing kpt #: 114 total cpu time spent up to now is 1498.6 secs Computing kpt #: 115 total cpu time spent up to now is 1510.0 secs Computing kpt #: 116 total cpu time spent up to now is 1521.3 secs Computing kpt #: 117 total cpu time spent up to now is 1532.5 secs Computing kpt #: 118 total cpu time spent up to now is 1543.9 secs Computing kpt #: 119 total cpu time spent up to now is 1555.3 secs Computing kpt #: 120 total cpu time spent up to now is 1566.5 secs Computing kpt #: 121 total cpu time spent up to now is 1577.9 secs Computing kpt #: 122 total cpu time spent up to now is 1589.0 secs Computing kpt #: 123 total cpu time spent up to now is 1600.4 secs Computing kpt #: 124 total cpu time spent up to now is 1612.1 secs Computing kpt #: 125 total cpu time spent up to now is 1623.5 secs Computing kpt #: 126 total cpu time spent up to now is 1634.9 secs Computing kpt #: 127 total cpu time spent up to now is 1646.1 secs Computing kpt #: 128 total cpu time spent up to now is 1657.3 secs Computing kpt #: 129 total cpu time spent up to now is 1668.6 secs Computing kpt #: 130 total cpu time spent up to now is 1679.8 secs Computing kpt #: 131 total cpu time spent up to now is 1691.2 secs Computing kpt #: 132 total cpu time spent up to now is 1702.6 secs Computing kpt #: 133 total cpu time spent up to now is 1714.0 secs Computing kpt #: 134 total cpu time spent up to now is 1725.3 secs Computing kpt #: 135 total cpu time spent up to now is 1739.0 secs Computing kpt #: 136 total cpu time spent up to now is 1750.7 secs Computing kpt #: 137 total cpu time spent up to now is 1762.3 secs Computing kpt #: 138 total cpu time spent up to now is 1773.9 secs Computing kpt #: 139 total cpu time spent up to now is 1785.5 secs Computing kpt #: 140 total cpu time spent up to now is 1797.3 secs Computing kpt #: 141 total cpu time spent up to now is 1809.3 secs Computing kpt #: 142 total cpu time spent up to now is 1821.1 secs Computing kpt #: 143 total cpu time spent up to now is 1833.2 secs Computing kpt #: 144 total cpu time spent up to now is 1845.5 secs Computing kpt #: 145 total cpu time spent up to now is 1858.2 secs Computing kpt #: 146 total cpu time spent up to now is 1914.0 secs Computing kpt #: 147 total cpu time spent up to now is 1926.8 secs Computing kpt #: 148 total cpu time spent up to now is 1939.3 secs Computing kpt #: 149 total cpu time spent up to now is 1951.8 secs Computing kpt #: 150 total cpu time spent up to now is 1964.4 secs Computing kpt #: 151 total cpu time spent up to now is 1977.0 secs Computing kpt #: 152 total cpu time spent up to now is 1990.0 secs Computing kpt #: 153 total cpu time spent up to now is 2002.9 secs Computing kpt #: 154 total cpu time spent up to now is 2015.6 secs Computing kpt #: 155 total cpu time spent up to now is 2029.1 secs Computing kpt #: 156 total cpu time spent up to now is 2043.6 secs Computing kpt #: 157 total cpu time spent up to now is 2056.3 secs Computing kpt #: 158 total cpu time spent up to now is 2069.1 secs Computing kpt #: 159 total cpu time spent up to now is 2082.2 secs Computing kpt #: 160 total cpu time spent up to now is 2095.2 secs Computing kpt #: 161 total cpu time spent up to now is 2108.9 secs Computing kpt #: 162 total cpu time spent up to now is 2122.4 secs Computing kpt #: 163 total cpu time spent up to now is 2136.2 secs Computing kpt #: 164 total cpu time spent up to now is 2150.0 secs Computing kpt #: 165 total cpu time spent up to now is 2164.2 secs Computing kpt #: 166 total cpu time spent up to now is 2178.1 secs Computing kpt #: 167 total cpu time spent up to now is 2192.3 secs Computing kpt #: 168 total cpu time spent up to now is 2206.6 secs Computing kpt #: 169 total cpu time spent up to now is 2220.6 secs Computing kpt #: 170 total cpu time spent up to now is 2234.6 secs Computing kpt #: 171 total cpu time spent up to now is 2263.5 secs Computing kpt #: 172 total cpu time spent up to now is 2305.9 secs Computing kpt #: 173 total cpu time spent up to now is 2320.6 secs Computing kpt #: 174 total cpu time spent up to now is 2335.8 secs Computing kpt #: 175 total cpu time spent up to now is 2350.0 secs Computing kpt #: 176 total cpu time spent up to now is 2364.2 secs Computing kpt #: 177 total cpu time spent up to now is 2379.2 secs Computing kpt #: 178 total cpu time spent up to now is 2393.5 secs Computing kpt #: 179 total cpu time spent up to now is 2408.2 secs Computing kpt #: 180 total cpu time spent up to now is 2422.6 secs Computing kpt #: 181 total cpu time spent up to now is 2436.7 secs Computing kpt #: 182 total cpu time spent up to now is 2448.0 secs Computing kpt #: 183 total cpu time spent up to now is 2459.3 secs Computing kpt #: 184 total cpu time spent up to now is 2470.6 secs Computing kpt #: 185 total cpu time spent up to now is 2481.9 secs Computing kpt #: 186 total cpu time spent up to now is 2493.2 secs Computing kpt #: 187 total cpu time spent up to now is 2504.5 secs Computing kpt #: 188 total cpu time spent up to now is 2515.9 secs Computing kpt #: 189 total cpu time spent up to now is 2527.2 secs Computing kpt #: 190 total cpu time spent up to now is 2538.4 secs Computing kpt #: 191 total cpu time spent up to now is 2549.8 secs Computing kpt #: 192 total cpu time spent up to now is 2561.0 secs Computing kpt #: 193 total cpu time spent up to now is 2572.3 secs Computing kpt #: 194 total cpu time spent up to now is 2583.8 secs Computing kpt #: 195 total cpu time spent up to now is 2595.3 secs Computing kpt #: 196 total cpu time spent up to now is 2606.6 secs Computing kpt #: 197 total cpu time spent up to now is 2618.0 secs Computing kpt #: 198 total cpu time spent up to now is 2629.5 secs Computing kpt #: 199 total cpu time spent up to now is 2642.9 secs Computing kpt #: 200 total cpu time spent up to now is 2654.2 secs Computing kpt #: 201 total cpu time spent up to now is 2665.4 secs Computing kpt #: 202 total cpu time spent up to now is 2676.7 secs Computing kpt #: 203 total cpu time spent up to now is 2688.1 secs Computing kpt #: 204 total cpu time spent up to now is 2699.4 secs Computing kpt #: 205 total cpu time spent up to now is 2710.8 secs Computing kpt #: 206 total cpu time spent up to now is 2722.1 secs Computing kpt #: 207 total cpu time spent up to now is 2733.7 secs Computing kpt #: 208 total cpu time spent up to now is 2744.9 secs Computing kpt #: 209 total cpu time spent up to now is 2756.1 secs Computing kpt #: 210 total cpu time spent up to now is 2767.2 secs Computing kpt #: 211 total cpu time spent up to now is 2778.3 secs Computing kpt #: 212 total cpu time spent up to now is 2789.5 secs Computing kpt #: 213 total cpu time spent up to now is 2800.8 secs Computing kpt #: 214 total cpu time spent up to now is 2812.1 secs Computing kpt #: 215 total cpu time spent up to now is 2823.3 secs Computing kpt #: 216 total cpu time spent up to now is 2834.4 secs Computing kpt #: 217 total cpu time spent up to now is 2845.7 secs Computing kpt #: 218 total cpu time spent up to now is 2857.0 secs Computing kpt #: 219 total cpu time spent up to now is 2868.3 secs Computing kpt #: 220 total cpu time spent up to now is 2879.4 secs Computing kpt #: 221 total cpu time spent up to now is 2890.5 secs Computing kpt #: 222 total cpu time spent up to now is 2901.9 secs Computing kpt #: 223 total cpu time spent up to now is 2913.5 secs Computing kpt #: 224 total cpu time spent up to now is 2924.8 secs Computing kpt #: 225 total cpu time spent up to now is 2938.4 secs Computing kpt #: 226 total cpu time spent up to now is 2949.9 secs Computing kpt #: 227 total cpu time spent up to now is 2961.2 secs Computing kpt #: 228 total cpu time spent up to now is 2972.9 secs Computing kpt #: 229 total cpu time spent up to now is 2984.7 secs Computing kpt #: 230 total cpu time spent up to now is 2996.4 secs Computing kpt #: 231 total cpu time spent up to now is 3008.1 secs Computing kpt #: 232 total cpu time spent up to now is 3020.1 secs Computing kpt #: 233 total cpu time spent up to now is 3031.7 secs Computing kpt #: 234 total cpu time spent up to now is 3043.6 secs Computing kpt #: 235 total cpu time spent up to now is 3055.5 secs Computing kpt #: 236 total cpu time spent up to now is 3067.2 secs Computing kpt #: 237 total cpu time spent up to now is 3078.9 secs Computing kpt #: 238 total cpu time spent up to now is 3090.6 secs Computing kpt #: 239 total cpu time spent up to now is 3102.7 secs Computing kpt #: 240 total cpu time spent up to now is 3114.1 secs Computing kpt #: 241 total cpu time spent up to now is 3125.7 secs Computing kpt #: 242 total cpu time spent up to now is 3137.0 secs Computing kpt #: 243 total cpu time spent up to now is 3148.4 secs Computing kpt #: 244 total cpu time spent up to now is 3159.7 secs Computing kpt #: 245 total cpu time spent up to now is 3171.2 secs Computing kpt #: 246 total cpu time spent up to now is 3182.9 secs Computing kpt #: 247 total cpu time spent up to now is 3194.3 secs Computing kpt #: 248 total cpu time spent up to now is 3205.9 secs Computing kpt #: 249 total cpu time spent up to now is 3218.0 secs Computing kpt #: 250 total cpu time spent up to now is 3229.8 secs Computing kpt #: 251 total cpu time spent up to now is 3243.2 secs Computing kpt #: 252 total cpu time spent up to now is 3254.8 secs Computing kpt #: 253 total cpu time spent up to now is 3266.3 secs Computing kpt #: 254 total cpu time spent up to now is 3277.7 secs Computing kpt #: 255 total cpu time spent up to now is 3289.1 secs Computing kpt #: 256 total cpu time spent up to now is 3300.8 secs Computing kpt #: 257 total cpu time spent up to now is 3312.0 secs Computing kpt #: 258 total cpu time spent up to now is 3323.4 secs Computing kpt #: 259 total cpu time spent up to now is 3334.8 secs Computing kpt #: 260 total cpu time spent up to now is 3346.3 secs Computing kpt #: 261 total cpu time spent up to now is 3357.5 secs Computing kpt #: 262 total cpu time spent up to now is 3368.7 secs Computing kpt #: 263 total cpu time spent up to now is 3379.9 secs Computing kpt #: 264 total cpu time spent up to now is 3391.1 secs Computing kpt #: 265 total cpu time spent up to now is 3402.5 secs Computing kpt #: 266 total cpu time spent up to now is 3413.8 secs Computing kpt #: 267 total cpu time spent up to now is 3425.0 secs Computing kpt #: 268 total cpu time spent up to now is 3436.0 secs Computing kpt #: 269 total cpu time spent up to now is 3447.4 secs Computing kpt #: 270 total cpu time spent up to now is 3458.5 secs Computing kpt #: 271 total cpu time spent up to now is 3469.8 secs Computing kpt #: 272 total cpu time spent up to now is 3480.7 secs Computing kpt #: 273 total cpu time spent up to now is 3491.8 secs Computing kpt #: 274 total cpu time spent up to now is 3502.8 secs ethr = 1.19E-11, avg # of iterations = 51.7 total cpu time spent up to now is 3503.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5491 PWs) bands (ev): -17.6718 -17.6718 -17.5453 -17.5453 -14.1887 -14.1887 -14.0313 -14.0313 -13.3079 -13.3079 -13.2971 -13.2971 -11.2469 -11.2469 -11.1270 -11.1270 -4.0873 -4.0873 -3.0988 -3.0988 -1.7235 -1.7235 -1.6024 -1.6024 -1.2656 -1.2656 -1.1299 -1.1299 -0.7032 -0.7032 -0.5597 -0.5597 -0.0755 -0.0755 0.0065 0.0065 0.5368 0.5368 1.1098 1.1098 1.2918 1.2918 1.5214 1.5214 1.9649 1.9649 2.2482 2.2482 2.3472 2.3472 2.5345 2.5345 2.7496 2.7496 3.0636 3.0636 3.3904 3.3904 3.4942 3.4942 3.6037 3.6037 3.7034 3.7034 3.7810 3.7810 3.8159 3.8159 4.2049 4.2049 4.2898 4.2898 4.5508 4.5508 4.9077 4.9077 5.1420 5.1420 5.3466 5.3466 5.5253 5.5253 5.8795 5.8795 7.2109 7.2109 9.3139 9.3139 12.3575 12.3575 12.5237 12.5237 13.0523 13.0523 13.3445 13.3445 13.9607 13.9607 14.6003 14.6003 k = 0.0000 0.0000 0.0152 ( 5503 PWs) bands (ev): -17.6717 -17.6716 -17.5455 -17.5454 -14.1887 -14.1885 -14.0315 -14.0313 -13.3079 -13.3079 -13.2971 -13.2971 -11.2470 -11.2469 -11.1274 -11.1272 -4.0865 -4.0856 -3.1023 -3.0970 -1.7233 -1.7220 -1.6059 -1.5979 -1.2683 -1.2628 -1.1335 -1.1264 -0.7117 -0.6938 -0.5635 -0.5547 -0.0767 -0.0736 0.0063 0.0074 0.5155 0.5584 1.0997 1.1177 1.2777 1.3037 1.5066 1.5371 1.9512 1.9776 2.2279 2.2692 2.3447 2.3469 2.5253 2.5466 2.7480 2.7485 3.0550 3.0673 3.3888 3.3908 3.4909 3.4967 3.5984 3.6080 3.6961 3.7099 3.7804 3.7822 3.8072 3.8261 4.1994 4.2064 4.2847 4.2913 4.5480 4.5557 4.9063 4.9088 5.1415 5.1427 5.3406 5.3536 5.5234 5.5284 5.8771 5.8790 7.2147 7.2199 9.3148 9.3159 12.3545 12.3615 12.5227 12.5254 13.0521 13.0524 13.3432 13.3434 13.9555 13.9652 14.5987 14.6010 k = 0.0000 0.0000 0.0303 ( 5503 PWs) bands (ev): -17.6713 -17.6712 -17.5459 -17.5457 -14.1883 -14.1878 -14.0321 -14.0317 -13.3079 -13.3078 -13.2971 -13.2971 -11.2471 -11.2470 -11.1284 -11.1280 -4.0831 -4.0814 -3.1075 -3.0968 -1.7212 -1.7187 -1.6081 -1.5921 -1.2707 -1.2599 -1.1370 -1.1229 -0.7193 -0.6836 -0.5661 -0.5483 -0.0772 -0.0712 0.0069 0.0090 0.4947 0.5799 1.0878 1.1232 1.2614 1.3136 1.4929 1.5537 1.9370 1.9883 2.2090 2.2899 2.3392 2.3446 2.5196 2.5608 2.7436 2.7447 3.0419 3.0654 3.3863 3.3897 3.4873 3.4984 3.5935 3.6098 3.6899 3.7141 3.7803 3.7832 3.8019 3.8371 4.1893 4.2044 4.2771 4.2887 4.5474 4.5624 4.9046 4.9096 5.1414 5.1435 5.3357 5.3614 5.5227 5.5324 5.8720 5.8756 7.2312 7.2416 9.3186 9.3208 12.3526 12.3667 12.5221 12.5276 13.0518 13.0524 13.3395 13.3398 13.9499 13.9688 14.5963 14.6008 k = 0.0000 0.0000 0.0455 ( 5517 PWs) bands (ev): -17.6707 -17.6704 -17.5465 -17.5463 -14.1875 -14.1868 -14.0329 -14.0324 -13.3078 -13.3077 -13.2972 -13.2971 -11.2473 -11.2471 -11.1300 -11.1293 -4.0772 -4.0747 -3.1142 -3.0984 -1.7174 -1.7137 -1.6091 -1.5853 -1.2730 -1.2568 -1.1404 -1.1195 -0.7257 -0.6728 -0.5675 -0.5407 -0.0768 -0.0684 0.0080 0.0115 0.4745 0.6011 1.0744 1.1262 1.2429 1.3217 1.4801 1.5709 1.9224 1.9958 2.1927 2.3071 2.3333 2.3412 2.5175 2.5762 2.7364 2.7386 3.0247 3.0576 3.3833 3.3872 3.4838 3.4993 3.5896 3.6078 3.6866 3.7158 3.7799 3.7809 3.8030 3.8480 4.1744 4.1994 4.2684 4.2823 4.5488 4.5704 4.9026 4.9101 5.1417 5.1444 5.3318 5.3700 5.5233 5.5372 5.8643 5.8695 7.2601 7.2754 9.3249 9.3283 12.3519 12.3727 12.5218 12.5305 13.0514 13.0524 13.3335 13.3337 13.9442 13.9715 14.5929 14.5998 k = 0.0000 0.0000 0.0606 ( 5523 PWs) bands (ev): -17.6697 -17.6694 -17.5474 -17.5472 -14.1864 -14.1855 -14.0341 -14.0334 -13.3077 -13.3076 -13.2973 -13.2972 -11.2475 -11.2472 -11.1321 -11.1313 -4.0689 -4.0654 -3.1224 -3.1017 -1.7118 -1.7070 -1.6090 -1.5775 -1.2750 -1.2536 -1.1436 -1.1164 -0.7308 -0.6613 -0.5678 -0.5319 -0.0753 -0.0652 0.0096 0.0149 0.4550 0.6216 1.0599 1.1266 1.2224 1.3281 1.4684 1.5886 1.9078 1.9987 2.1802 2.3060 2.3372 2.3417 2.5185 2.5918 2.7265 2.7304 3.0039 3.0437 3.3799 3.3837 3.4808 3.4997 3.5871 3.6016 3.6865 3.7152 3.7760 3.7790 3.8092 3.8582 4.1551 4.1914 4.2594 4.2730 4.5520 4.5794 4.9004 4.9102 5.1427 5.1453 5.3290 5.3791 5.5250 5.5426 5.8541 5.8606 7.3005 7.3206 9.3335 9.3382 12.3523 12.3796 12.5218 12.5340 13.0509 13.0523 13.3252 13.3253 13.9392 13.9735 14.5883 14.5978 k = 0.0000 0.0000 0.0758 ( 5525 PWs) bands (ev): -17.6685 -17.6681 -17.5486 -17.5483 -14.1849 -14.1838 -14.0356 -14.0347 -13.3076 -13.3075 -13.2973 -13.2972 -11.2477 -11.2473 -11.1348 -11.1338 -4.0582 -4.0538 -3.1322 -3.1069 -1.7046 -1.6987 -1.6078 -1.5687 -1.2767 -1.2503 -1.1467 -1.1136 -0.7346 -0.6493 -0.5671 -0.5218 -0.0727 -0.0616 0.0118 0.0193 0.4363 0.6406 1.0446 1.1243 1.2002 1.3329 1.4575 1.6065 1.8932 1.9955 2.1728 2.2905 2.3333 2.3607 2.5218 2.6066 2.7142 2.7211 2.9800 3.0240 3.3765 3.3799 3.4787 3.4995 3.5859 3.5924 3.6890 3.7131 3.7704 3.7772 3.8174 3.8670 4.1327 4.1806 4.2505 4.2616 4.5567 4.5891 4.8979 4.9101 5.1443 5.1460 5.3273 5.3887 5.5278 5.5484 5.8417 5.8493 7.3517 7.3763 9.3439 9.3501 12.3536 12.3871 12.5219 12.5381 13.0505 13.0523 13.3144 13.3152 13.9351 13.9751 14.5825 14.5947 k = 0.0000 0.0000 0.0909 ( 5527 PWs) bands (ev): -17.6670 -17.6665 -17.5500 -17.5496 -14.1831 -14.1818 -14.0374 -14.0363 -13.3075 -13.3073 -13.2975 -13.2973 -11.2479 -11.2475 -11.1379 -11.1367 -4.0451 -4.0398 -3.1434 -3.1139 -1.6957 -1.6890 -1.6055 -1.5591 -1.2781 -1.2469 -1.1497 -1.1113 -0.7368 -0.6370 -0.5654 -0.5107 -0.0686 -0.0576 0.0145 0.0246 0.4185 0.6576 1.0290 1.1193 1.1771 1.3364 1.4474 1.6243 1.8784 1.9857 2.1708 2.2704 2.3296 2.3808 2.5265 2.6188 2.6999 2.7119 2.9535 2.9995 3.3732 3.3764 3.4773 3.4988 3.5816 3.5856 3.6929 3.7102 3.7648 3.7741 3.8260 3.8737 4.1092 4.1672 4.2415 4.2493 4.5624 4.5993 4.8952 4.9096 5.1465 5.1468 5.3264 5.3984 5.5316 5.5545 5.8275 5.8357 7.4125 7.4414 9.3557 9.3635 12.3558 12.3950 12.5219 12.5427 13.0501 13.0523 13.3016 13.3034 13.9327 13.9766 14.5753 14.5903 k = 0.0000 0.0000 0.1061 ( 5531 PWs) bands (ev): -17.6652 -17.6646 -17.5516 -17.5512 -14.1810 -14.1795 -14.0395 -14.0382 -13.3073 -13.3071 -13.2976 -13.2974 -11.2480 -11.2476 -11.1415 -11.1402 -4.0299 -4.0235 -3.1562 -3.1229 -1.6854 -1.6781 -1.6021 -1.5488 -1.2791 -1.2433 -1.1525 -1.1095 -0.7373 -0.6244 -0.5628 -0.4988 -0.0630 -0.0531 0.0177 0.0309 0.4016 0.6716 1.0131 1.1117 1.1539 1.3387 1.4379 1.6417 1.8634 1.9699 2.1732 2.2473 2.3262 2.4005 2.5314 2.6257 2.6843 2.7056 2.9254 2.9718 3.3700 3.3736 3.4766 3.4977 3.5701 3.5859 3.6974 3.7068 3.7594 3.7692 3.8341 3.8778 4.0865 4.1517 4.2324 4.2367 4.5690 4.6098 4.8922 4.9087 5.1474 5.1495 5.3264 5.4081 5.5362 5.5607 5.8118 5.8201 7.4818 7.5149 9.3681 9.3777 12.3587 12.4032 12.5215 12.5478 13.0498 13.0525 13.2870 13.2900 13.9321 13.9786 14.5667 14.5844 k = 0.0000 0.0000 0.1213 ( 5533 PWs) bands (ev): -17.6632 -17.6625 -17.5534 -17.5530 -14.1786 -14.1769 -14.0418 -14.0404 -13.3071 -13.3069 -13.2977 -13.2975 -11.2482 -11.2477 -11.1456 -11.1441 -4.0126 -4.0050 -3.1704 -3.1337 -1.6738 -1.6661 -1.5978 -1.5379 -1.2796 -1.2396 -1.1551 -1.1084 -0.7359 -0.6118 -0.5592 -0.4861 -0.0558 -0.0481 0.0214 0.0382 0.3859 0.6817 0.9964 1.1014 1.1325 1.3399 1.4291 1.6584 1.8480 1.9498 2.1782 2.2219 2.3227 2.4188 2.5354 2.6247 2.6689 2.7047 2.8966 2.9428 3.3670 3.3716 3.4763 3.4959 3.5589 3.5867 3.7021 3.7029 3.7543 3.7623 3.8412 3.8788 4.0667 4.1347 4.2229 4.2241 4.5765 4.6207 4.8889 4.9075 5.1482 5.1533 5.3269 5.4175 5.5415 5.5670 5.7949 5.8028 7.5584 7.5955 9.3804 9.3922 12.3621 12.4112 12.5206 12.5533 13.0497 13.0529 13.2712 13.2757 13.9336 13.9815 14.5565 14.5771 k = 0.0000 0.0000 0.1364 ( 5539 PWs) bands (ev): -17.6609 -17.6602 -17.5555 -17.5550 -14.1758 -14.1739 -14.0445 -14.0429 -13.3069 -13.3067 -13.2979 -13.2977 -11.2483 -11.2478 -11.1500 -11.1484 -3.9932 -3.9845 -3.1860 -3.1464 -1.6609 -1.6533 -1.5926 -1.5266 -1.2798 -1.2358 -1.1577 -1.1080 -0.7324 -0.5994 -0.5545 -0.4730 -0.0469 -0.0424 0.0256 0.0465 0.3712 0.6869 0.9777 1.0885 1.1152 1.3403 1.4208 1.6739 1.8321 1.9266 2.1842 2.1944 2.3185 2.4349 2.5368 2.6163 2.6556 2.7085 2.8690 2.9145 3.3642 3.3703 3.4763 3.4935 3.5482 3.5876 3.6984 3.7066 3.7497 3.7529 3.8469 3.8768 4.0511 4.1171 4.2116 4.2132 4.5847 4.6319 4.8852 4.9059 5.1490 5.1578 5.3276 5.4262 5.5473 5.5731 5.7773 5.7843 7.6412 7.6822 9.3920 9.4061 12.3660 12.4191 12.5190 12.5590 13.0499 13.0535 13.2544 13.2606 13.9375 13.9855 14.5447 14.5680 k = 0.0000 0.0000 0.1516 ( 5537 PWs) bands (ev): -17.6584 -17.6576 -17.5578 -17.5572 -14.1728 -14.1707 -14.0474 -14.0456 -13.3067 -13.3064 -13.2981 -13.2978 -11.2482 -11.2478 -11.1547 -11.1530 -3.9720 -3.9621 -3.2030 -3.1611 -1.6469 -1.6399 -1.5866 -1.5151 -1.2794 -1.2318 -1.1602 -1.1084 -0.7269 -0.5874 -0.5486 -0.4599 -0.0363 -0.0358 0.0304 0.0557 0.3578 0.6867 0.9552 1.0729 1.1048 1.3398 1.4132 1.6875 1.8158 1.9015 2.1651 2.1895 2.3126 2.4478 2.5341 2.6047 2.6471 2.7126 2.8448 2.8887 3.3616 3.3695 3.4764 3.4903 3.5385 3.5885 3.6930 3.7103 3.7413 3.7460 3.8512 3.8724 4.0402 4.0996 4.1994 4.2031 4.5936 4.6434 4.8812 4.9039 5.1501 5.1630 5.3282 5.4340 5.5534 5.5792 5.7595 5.7649 7.7291 7.7739 9.4019 9.4188 12.3700 12.4266 12.5165 12.5648 13.0504 13.0546 13.2374 13.2454 13.9439 13.9911 14.5313 14.5572 k = 0.0000 0.0000 0.1667 ( 5537 PWs) bands (ev): -17.6556 -17.6548 -17.5603 -17.5597 -14.1695 -14.1672 -14.0505 -14.0487 -13.3064 -13.3061 -13.2983 -13.2980 -11.2481 -11.2477 -11.1597 -11.1579 -3.9491 -3.9378 -3.2215 -3.1776 -1.6321 -1.6263 -1.5800 -1.5036 -1.2786 -1.2277 -1.1626 -1.1096 -0.7191 -0.5761 -0.5414 -0.4470 -0.0281 -0.0242 0.0358 0.0658 0.3457 0.6809 0.9279 1.0548 1.1028 1.3387 1.4062 1.6980 1.7995 1.8754 2.1347 2.1921 2.3048 2.4558 2.5276 2.5936 2.6452 2.7123 2.8272 2.8668 3.3591 3.3689 3.4764 3.4861 3.5299 3.5892 3.6863 3.7107 3.7304 3.7433 3.8538 3.8667 4.0336 4.0831 4.1874 4.1927 4.6032 4.6551 4.8768 4.9014 5.1515 5.1690 5.3284 5.4404 5.5597 5.5851 5.7419 5.7452 7.8210 7.8694 9.4094 9.4293 12.3740 12.4336 12.5130 12.5704 13.0514 13.0561 13.2204 13.2304 13.9526 13.9984 14.5163 14.5447 k = 0.0000 0.0000 0.1819 ( 5535 PWs) bands (ev): -17.6527 -17.6518 -17.5630 -17.5624 -14.1659 -14.1635 -14.0540 -14.0519 -13.3061 -13.3058 -13.2985 -13.2982 -11.2478 -11.2474 -11.1649 -11.1631 -3.9246 -3.9118 -3.2413 -3.1959 -1.6166 -1.6127 -1.5729 -1.4923 -1.2773 -1.2234 -1.1651 -1.1116 -0.7091 -0.5657 -0.5329 -0.4347 -0.0191 -0.0107 0.0420 0.0767 0.3354 0.6699 0.8958 1.0339 1.1089 1.3371 1.3999 1.7025 1.7857 1.8489 2.1037 2.1891 2.2960 2.4572 2.5195 2.5860 2.6498 2.7043 2.8186 2.8497 3.3567 3.3685 3.4763 3.4807 3.5228 3.5896 3.6782 3.7006 3.7279 3.7418 3.8546 3.8607 4.0302 4.0683 4.1756 4.1821 4.6135 4.6672 4.8720 4.8985 5.1533 5.1758 5.3279 5.4452 5.5660 5.5907 5.7249 5.7258 7.9160 7.9679 9.4136 9.4369 12.3779 12.4402 12.5085 12.5758 13.0528 13.0580 13.2041 13.2161 13.9636 14.0076 14.4997 14.5303 k = 0.0000 0.0000 0.1970 ( 5541 PWs) bands (ev): -17.6496 -17.6486 -17.5660 -17.5652 -14.1621 -14.1595 -14.0576 -14.0555 -13.3058 -13.3055 -13.2987 -13.2984 -11.2473 -11.2470 -11.1702 -11.1684 -3.8987 -3.8844 -3.2624 -3.2160 -1.6006 -1.5994 -1.5654 -1.4815 -1.2754 -1.2190 -1.1677 -1.1142 -0.6969 -0.5560 -0.5234 -0.4237 -0.0087 0.0035 0.0493 0.0885 0.3271 0.6547 0.8602 1.0103 1.1216 1.3353 1.3946 1.6964 1.7782 1.8226 2.0730 2.1761 2.2895 2.4517 2.5123 2.5830 2.6595 2.6894 2.8180 2.8377 3.3545 3.3681 3.4743 3.4758 3.5169 3.5896 3.6688 3.6837 3.7310 3.7414 3.8536 3.8549 4.0291 4.0557 4.1639 4.1713 4.6244 4.6795 4.8666 4.8950 5.1556 5.1833 5.3262 5.4478 5.5724 5.5960 5.7071 5.7090 8.0131 8.0684 9.4138 9.4407 12.3815 12.4464 12.5029 12.5804 13.0546 13.0605 13.1887 13.2027 13.9768 14.0188 14.4817 14.5141 k = 0.0000 0.0000 0.2122 ( 5547 PWs) bands (ev): -17.6462 -17.6453 -17.5690 -17.5682 -14.1580 -14.1553 -14.0615 -14.0592 -13.3055 -13.3052 -13.2989 -13.2986 -11.2466 -11.2463 -11.1757 -11.1739 -3.8715 -3.8556 -3.2847 -3.2378 -1.5866 -1.5843 -1.5577 -1.4715 -1.2730 -1.2144 -1.1705 -1.1176 -0.6825 -0.5467 -0.5133 -0.4142 0.0035 0.0177 0.0581 0.1009 0.3214 0.6360 0.8220 0.9837 1.1395 1.3334 1.3902 1.6779 1.7787 1.7969 2.0436 2.1507 2.2886 2.4417 2.5057 2.5842 2.6714 2.6728 2.8217 2.8304 3.3525 3.3677 3.4671 3.4747 3.5124 3.5893 3.6582 3.6652 3.7356 3.7421 3.8494 3.8510 4.0295 4.0457 4.1524 4.1606 4.6359 4.6920 4.8607 4.8910 5.1585 5.1916 5.3232 5.4479 5.5786 5.6010 5.6899 5.6946 8.1115 8.1700 9.4092 9.4400 12.3848 12.4524 12.4965 12.5841 13.0570 13.0635 13.1745 13.1904 13.9920 14.0319 14.4621 14.4961 k = 0.0000 0.0000 0.2274 ( 5553 PWs) bands (ev): -17.6428 -17.6418 -17.5723 -17.5715 -14.1537 -14.1509 -14.0657 -14.0632 -13.3052 -13.3049 -13.2992 -13.2989 -11.2457 -11.2455 -11.1812 -11.1794 -3.8432 -3.8255 -3.3083 -3.2613 -1.5746 -1.5679 -1.5500 -1.4623 -1.2701 -1.2097 -1.1735 -1.1214 -0.6661 -0.5376 -0.5033 -0.4069 0.0175 0.0308 0.0687 0.1140 0.3190 0.6149 0.7823 0.9540 1.1611 1.3316 1.3869 1.6504 1.7722 1.7843 2.0162 2.1144 2.2930 2.4303 2.4984 2.5869 2.6550 2.6886 2.8265 2.8272 3.3509 3.3674 3.4592 3.4729 3.5089 3.5885 3.6467 3.6470 3.7408 3.7437 3.8443 3.8469 4.0310 4.0383 4.1412 4.1499 4.6480 4.7046 4.8543 4.8864 5.1620 5.2006 5.3186 5.4451 5.5846 5.6056 5.6747 5.6818 8.2105 8.2719 9.3992 9.4342 12.3878 12.4586 12.4893 12.5866 13.0598 13.0670 13.1618 13.1794 14.0091 14.0470 14.4413 14.4766 k = 0.0000 0.0000 0.2425 ( 5547 PWs) bands (ev): -17.6391 -17.6381 -17.5757 -17.5748 -14.1492 -14.1463 -14.0700 -14.0674 -13.3049 -13.3045 -13.2995 -13.2991 -11.2445 -11.2444 -11.1866 -11.1849 -3.8139 -3.7944 -3.3331 -3.2863 -1.5634 -1.5518 -1.5426 -1.4544 -1.2666 -1.2049 -1.1770 -1.1257 -0.6479 -0.5284 -0.4937 -0.4021 0.0334 0.0422 0.0805 0.1275 0.3211 0.5923 0.7419 0.9211 1.1853 1.3303 1.3848 1.6176 1.7491 1.7919 1.9914 2.0706 2.3013 2.4198 2.4897 2.5849 2.6465 2.7059 2.8271 2.8306 3.3500 3.3674 3.4508 3.4699 3.5065 3.5872 3.6288 3.6357 3.7462 3.7463 3.8394 3.8416 4.0332 4.0334 4.1302 4.1394 4.6606 4.7174 4.8472 4.8812 5.1662 5.2105 5.3124 5.4391 5.5903 5.6099 5.6618 5.6708 8.3092 8.3733 9.3832 9.4225 12.3905 12.4649 12.4816 12.5877 13.0631 13.0711 13.1505 13.1695 14.0280 14.0640 14.4194 14.4554 k = 0.0000 0.0000 0.2577 ( 5541 PWs) bands (ev): -17.6354 -17.6343 -17.5793 -17.5783 -14.1446 -14.1416 -14.0744 -14.0717 -13.3045 -13.3042 -13.2997 -13.2994 -11.2431 -11.2431 -11.1921 -11.1904 -3.7838 -3.7625 -3.3589 -3.3127 -1.5533 -1.5359 -1.5356 -1.4478 -1.2626 -1.2001 -1.1809 -1.1303 -0.6280 -0.5191 -0.4850 -0.4002 0.0513 0.0519 0.0923 0.1413 0.3289 0.5691 0.7014 0.8849 1.2112 1.3297 1.3838 1.5822 1.7280 1.8003 1.9692 2.0223 2.3122 2.4111 2.4798 2.5733 2.6506 2.7241 2.8291 2.8329 3.3498 3.3678 3.4421 3.4654 3.5052 3.5856 3.6120 3.6249 3.7494 3.7521 3.8345 3.8354 4.0309 4.0360 4.1196 4.1292 4.6735 4.7302 4.8395 4.8754 5.1711 5.2212 5.3046 5.4301 5.5957 5.6137 5.6515 5.6617 8.4071 8.4734 9.3607 9.4045 12.3930 12.4719 12.4734 12.5870 13.0668 13.0757 13.1407 13.1608 14.0484 14.0828 14.3964 14.4329 k = 0.0000 0.0000 0.2728 ( 5547 PWs) bands (ev): -17.6315 -17.6304 -17.5829 -17.5820 -14.1398 -14.1368 -14.0791 -14.0763 -13.3042 -13.3038 -13.3000 -13.2997 -11.2414 -11.2413 -11.1974 -11.1958 -3.7531 -3.7298 -3.3858 -3.3404 -1.5442 -1.5293 -1.5207 -1.4429 -1.2581 -1.1952 -1.1853 -1.1351 -0.6069 -0.5098 -0.4775 -0.4015 0.0606 0.0709 0.1022 0.1550 0.3434 0.5461 0.6617 0.8454 1.2379 1.3303 1.3838 1.5461 1.7097 1.8089 1.9495 1.9721 2.3251 2.4046 2.4691 2.5551 2.6633 2.7424 2.8320 2.8328 3.3506 3.3687 3.4333 3.4593 3.5049 3.5839 3.5964 3.6151 3.7532 3.7582 3.8287 3.8297 4.0304 4.0394 4.1093 4.1193 4.6867 4.7431 4.8310 4.8688 5.1768 5.2328 5.2954 5.4182 5.6006 5.6171 5.6435 5.6543 8.5034 8.5716 9.3316 9.3797 12.3955 12.4651 12.4794 12.5846 13.0708 13.0807 13.1322 13.1531 14.0701 14.1033 14.3725 14.4091 k = 0.0000 0.0000 0.2880 ( 5549 PWs) bands (ev): -17.6275 -17.6264 -17.5867 -17.5858 -14.1349 -14.1318 -14.0839 -14.0810 -13.3038 -13.3035 -13.3003 -13.3000 -11.2395 -11.2393 -11.2025 -11.2010 -3.7219 -3.6966 -3.4136 -3.3694 -1.5362 -1.5238 -1.5063 -1.4397 -1.2530 -1.1903 -1.1902 -1.1401 -0.5847 -0.5007 -0.4714 -0.4061 0.0687 0.0917 0.1091 0.1679 0.3653 0.5245 0.6234 0.8027 1.2647 1.3324 1.3844 1.5109 1.6951 1.8176 1.9217 1.9320 2.3395 2.4006 2.4581 2.5345 2.6802 2.7602 2.8299 2.8349 3.3526 3.3706 3.4243 3.4515 3.5058 3.5820 3.5822 3.6067 3.7576 3.7644 3.8216 3.8246 4.0317 4.0432 4.0993 4.1098 4.7002 4.7558 4.8219 4.8616 5.1834 5.2452 5.2852 5.4041 5.6052 5.6203 5.6376 5.6485 8.5975 8.6671 9.2955 9.3479 12.3982 12.4568 12.4878 12.5804 13.0751 13.0860 13.1249 13.1460 14.0930 14.1253 14.3478 14.3843 k = 0.0000 0.0000 0.3032 ( 5543 PWs) bands (ev): -17.6235 -17.6224 -17.5906 -17.5896 -14.1299 -14.1267 -14.0888 -14.0858 -13.3035 -13.3031 -13.3007 -13.3003 -11.2372 -11.2369 -11.2075 -11.2061 -3.6904 -3.6630 -3.4423 -3.3995 -1.5294 -1.5194 -1.4928 -1.4384 -1.2474 -1.1958 -1.1852 -1.1451 -0.5620 -0.4920 -0.4669 -0.4140 0.0763 0.1126 0.1133 0.1793 0.3944 0.5055 0.5874 0.7573 1.2906 1.3364 1.3849 1.4779 1.6852 1.8265 1.8727 1.9162 2.3553 2.3988 2.4472 2.5130 2.6989 2.7771 2.8240 2.8371 3.3559 3.3736 3.4153 3.4421 3.5078 3.5688 3.5808 3.5998 3.7626 3.7707 3.8144 3.8194 4.0345 4.0475 4.0898 4.1007 4.7137 4.7683 4.8121 4.8536 5.1908 5.2585 5.2741 5.3883 5.6093 5.6231 5.6331 5.6439 8.6888 8.7593 9.2525 9.3089 12.4012 12.4486 12.4969 12.5746 13.0795 13.0917 13.1185 13.1395 14.1168 14.1486 14.3226 14.3586 k = 0.0000 0.0000 0.3183 ( 5547 PWs) bands (ev): -17.6194 -17.6183 -17.5946 -17.5936 -14.1248 -14.1216 -14.0938 -14.0907 -13.3031 -13.3027 -13.3010 -13.3006 -11.2346 -11.2342 -11.2123 -11.2110 -3.6587 -3.6292 -3.4718 -3.4305 -1.5237 -1.5162 -1.4805 -1.4389 -1.2414 -1.2018 -1.1802 -1.1501 -0.5392 -0.4840 -0.4641 -0.4250 0.0836 0.1132 0.1346 0.1880 0.4299 0.4907 0.5546 0.7098 1.3147 1.3428 1.3845 1.4478 1.6816 1.8265 1.8357 1.9019 2.3723 2.3992 2.4369 2.4914 2.7183 2.7925 2.8152 2.8377 3.3605 3.3779 3.4064 3.4316 3.5111 3.5569 3.5802 3.5941 3.7680 3.7772 3.8072 3.8140 4.0386 4.0522 4.0807 4.0922 4.7272 4.7806 4.8016 4.8450 5.1990 5.2626 5.2727 5.3716 5.6130 5.6256 5.6297 5.6403 8.7767 8.8475 9.2026 9.2627 12.4048 12.4407 12.5068 12.5672 13.0841 13.0976 13.1128 13.1333 14.1415 14.1731 14.2969 14.3322 k = 0.0000 0.0000 0.3335 ( 5544 PWs) bands (ev): -17.6153 -17.6141 -17.5987 -17.5976 -14.1196 -14.1164 -14.0989 -14.0958 -13.3027 -13.3024 -13.3013 -13.3009 -11.2317 -11.2311 -11.2167 -11.2156 -3.6269 -3.5953 -3.5019 -3.4624 -1.5193 -1.5142 -1.4695 -1.4414 -1.2351 -1.2082 -1.1752 -1.1551 -0.5166 -0.4769 -0.4632 -0.4390 0.0905 0.1113 0.1546 0.1926 0.4705 0.4818 0.5261 0.6608 1.3360 1.3518 1.3822 1.4213 1.6854 1.7845 1.8451 1.8889 2.3902 2.4016 2.4274 2.4701 2.7376 2.8037 2.8060 2.8363 3.3663 3.3838 3.3975 3.4207 3.5156 3.5462 3.5803 3.5896 3.7738 3.7836 3.8001 3.8083 4.0437 4.0575 4.0720 4.0841 4.7406 4.7905 4.7926 4.8357 5.2081 5.2510 5.2878 5.3544 5.6163 5.6269 5.6280 5.6373 8.8607 8.9312 9.1461 9.2094 12.4091 12.4332 12.5172 12.5585 13.0887 13.1035 13.1076 13.1273 14.1668 14.1986 14.2709 14.3054 k = 0.0000 0.0000 0.3486 ( 5544 PWs) bands (ev): -17.6111 -17.6100 -17.6028 -17.6017 -14.1144 -14.1112 -14.1040 -14.1009 -13.3024 -13.3020 -13.3017 -13.3013 -11.2284 -11.2277 -11.2210 -11.2199 -3.5952 -3.5616 -3.5326 -3.4949 -1.5161 -1.5135 -1.4599 -1.4458 -1.2284 -1.2148 -1.1702 -1.1601 -0.4948 -0.4711 -0.4641 -0.4555 0.0969 0.1076 0.1717 0.1916 0.4806 0.5034 0.5151 0.6113 1.3538 1.3639 1.3767 1.3984 1.6978 1.7482 1.8551 1.8768 2.4058 2.4091 2.4189 2.4492 2.7563 2.7898 2.8174 2.8326 3.3731 3.3889 3.3911 3.4100 3.5214 3.5367 3.5813 3.5860 3.7800 3.7900 3.7932 3.8024 4.0497 4.0634 4.0639 4.0767 4.7537 4.7787 4.8042 4.8258 5.2179 5.2395 5.3036 5.3371 5.6193 5.6244 5.6302 5.6348 8.9401 9.0097 9.0833 9.1493 12.4141 12.4262 12.5278 12.5488 13.0933 13.1027 13.1095 13.1214 14.1925 14.2248 14.2447 14.2784 k = 0.0000 0.0000 0.3638 ( 5540 PWs) bands (ev): -17.6069 -17.6069 -17.6058 -17.6058 -14.1092 -14.1092 -14.1060 -14.1060 -13.3020 -13.3020 -13.3016 -13.3016 -11.2249 -11.2249 -11.2240 -11.2240 -3.5637 -3.5637 -3.5280 -3.5280 -1.5141 -1.5141 -1.4520 -1.4520 -1.2216 -1.2216 -1.1652 -1.1652 -0.4743 -0.4743 -0.4668 -0.4668 0.1027 0.1027 0.1845 0.1845 0.4879 0.4879 0.5624 0.5624 1.3674 1.3674 1.3793 1.3793 1.7189 1.7189 1.8656 1.8656 2.4116 2.4116 2.4288 2.4288 2.7739 2.7739 2.8263 2.8263 3.3807 3.3807 3.4000 3.4000 3.5284 3.5284 3.5832 3.5832 3.7864 3.7864 3.7963 3.7963 4.0565 4.0565 4.0697 4.0697 4.7664 4.7664 4.8153 4.8153 5.2285 5.2285 5.3201 5.3201 5.6219 5.6219 5.6325 5.6325 9.0144 9.0144 9.0825 9.0825 12.4198 12.4198 12.5385 12.5385 13.0980 13.0980 13.1155 13.1155 14.2185 14.2185 14.2515 14.2515 k = 0.0000 0.0000 0.3638 ( 5540 PWs) bands (ev): -17.6069 -17.6069 -17.6058 -17.6058 -14.1092 -14.1092 -14.1060 -14.1060 -13.3020 -13.3020 -13.3016 -13.3016 -11.2249 -11.2249 -11.2240 -11.2240 -3.5637 -3.5637 -3.5280 -3.5280 -1.5141 -1.5141 -1.4520 -1.4520 -1.2216 -1.2216 -1.1652 -1.1652 -0.4743 -0.4743 -0.4668 -0.4668 0.1027 0.1027 0.1845 0.1845 0.4879 0.4879 0.5624 0.5624 1.3674 1.3674 1.3793 1.3793 1.7189 1.7189 1.8656 1.8656 2.4116 2.4116 2.4288 2.4288 2.7739 2.7739 2.8263 2.8263 3.3807 3.3807 3.4000 3.4000 3.5284 3.5284 3.5832 3.5832 3.7864 3.7864 3.7963 3.7963 4.0565 4.0565 4.0697 4.0697 4.7664 4.7664 4.8153 4.8153 5.2285 5.2285 5.3201 5.3201 5.6219 5.6219 5.6325 5.6325 9.0144 9.0144 9.0825 9.0825 12.4198 12.4198 12.5385 12.5385 13.0980 13.0980 13.1155 13.1155 14.2185 14.2185 14.2515 14.2515 k = 0.0000 0.0150 0.3638 ( 5536 PWs) bands (ev): -17.6077 -17.6066 -17.6060 -17.6049 -14.1134 -14.1103 -14.1052 -14.1020 -13.3027 -13.3023 -13.3015 -13.3012 -11.2285 -11.2277 -11.2213 -11.2204 -3.5694 -3.5571 -3.5340 -3.5212 -1.5191 -1.5088 -1.4528 -1.4505 -1.2258 -1.2155 -1.1714 -1.1575 -0.4759 -0.4728 -0.4690 -0.4652 0.1004 0.1063 0.1777 0.1924 0.4819 0.4934 0.5521 0.5727 1.3591 1.3667 1.3748 1.3918 1.7051 1.7320 1.8544 1.8760 2.3923 2.4251 2.4283 2.4317 2.7563 2.7913 2.8162 2.8369 3.3713 3.3801 3.3869 3.4068 3.5209 3.5375 3.5650 3.5992 3.7583 3.7716 3.8141 3.8206 4.0477 4.0650 4.0672 4.0761 4.7607 4.7722 4.8104 4.8204 5.2208 5.2411 5.3078 5.3366 5.6204 5.6248 5.6301 5.6360 9.0083 9.0233 9.0767 9.0911 12.4155 12.4222 12.5363 12.5386 13.0801 13.0993 13.1169 13.1326 14.2063 14.2299 14.2500 14.2521 k = 0.0000 0.0301 0.3638 ( 5532 PWs) bands (ev): -17.6083 -17.6072 -17.6049 -17.6038 -14.1178 -14.1147 -14.1013 -14.0982 -13.3035 -13.3030 -13.3012 -13.3009 -11.2323 -11.2315 -11.2178 -11.2169 -3.5741 -3.5497 -3.5392 -3.5135 -1.5237 -1.5032 -1.4530 -1.4483 -1.2280 -1.2075 -1.1762 -1.1487 -0.4776 -0.4717 -0.4715 -0.4641 0.0993 0.1110 0.1720 0.2014 0.4756 0.4985 0.5419 0.5829 1.3503 1.3540 1.3814 1.4040 1.6908 1.7445 1.8424 1.8853 2.3711 2.4206 2.4337 2.4415 2.7387 2.8068 2.8088 2.8479 3.3527 3.3677 3.3700 3.4075 3.5135 3.5448 3.5482 3.6123 3.7307 3.7473 3.8402 3.8441 4.0410 4.0618 4.0800 4.0843 4.7554 4.7776 4.8063 4.8252 5.2185 5.2582 5.3002 5.3570 5.6203 5.6289 5.6292 5.6408 9.0050 9.0350 9.0735 9.1023 12.4094 12.4227 12.5322 12.5366 13.0637 13.0843 13.1367 13.1503 14.1934 14.2402 14.2480 14.2519 k = 0.0000 0.0451 0.3638 ( 5528 PWs) bands (ev): -17.6087 -17.6077 -17.6037 -17.6026 -14.1223 -14.1192 -14.0977 -14.0945 -13.3045 -13.3040 -13.3011 -13.3008 -11.2361 -11.2354 -11.2145 -11.2135 -3.5780 -3.5436 -3.5413 -3.5049 -1.5279 -1.4971 -1.4526 -1.4453 -1.2281 -1.1977 -1.1795 -1.1387 -0.4794 -0.4748 -0.4703 -0.4637 0.0995 0.1168 0.1674 0.2115 0.4690 0.5031 0.5318 0.5928 1.3409 1.3411 1.3870 1.4159 1.6762 1.7562 1.8298 1.8934 2.3486 2.4154 2.4346 2.4507 2.7210 2.7981 2.8261 2.8590 3.3265 3.3429 3.3527 3.4022 3.5038 3.5231 3.5597 3.6217 3.7053 3.7236 3.8639 3.8664 4.0363 4.0596 4.0944 4.0949 4.7511 4.7825 4.8033 4.8294 5.2215 5.2791 5.2972 5.3807 5.6219 5.6297 5.6342 5.6467 9.0043 9.0493 9.0730 9.1162 12.4016 12.4212 12.5261 12.5323 13.0489 13.0705 13.1570 13.1685 14.1801 14.2454 14.2494 14.2509 k = 0.0000 0.0602 0.3638 ( 5532 PWs) bands (ev): -17.6090 -17.6079 -17.6023 -17.6012 -14.1270 -14.1239 -14.0942 -14.0910 -13.3056 -13.3051 -13.3011 -13.3008 -11.2400 -11.2393 -11.2113 -11.2103 -3.5811 -3.5471 -3.5321 -3.4955 -1.5317 -1.4907 -1.4517 -1.4415 -1.2261 -1.1864 -1.1813 -1.1276 -0.4812 -0.4784 -0.4694 -0.4639 0.1008 0.1238 0.1638 0.2227 0.4622 0.5072 0.5220 0.6025 1.3282 1.3311 1.3916 1.4274 1.6612 1.7671 1.8167 1.9001 2.3256 2.4096 2.4345 2.4553 2.7029 2.7898 2.8432 2.8702 3.2946 3.3129 3.3301 3.3912 3.4899 3.5001 3.5712 3.6257 3.6843 3.7010 3.8844 3.8873 4.0335 4.0583 4.1064 4.1119 4.7478 4.7867 4.8019 4.8326 5.2294 5.2986 5.3032 5.4068 5.6254 5.6321 5.6410 5.6538 9.0064 9.0665 9.0750 9.1328 12.3920 12.4177 12.5183 12.5257 13.0358 13.0582 13.1775 13.1868 14.1665 14.2426 14.2489 14.2574 k = 0.0000 0.0752 0.3638 ( 5530 PWs) bands (ev): -17.6091 -17.6081 -17.6007 -17.5997 -14.1318 -14.1287 -14.0909 -14.0878 -13.3070 -13.3064 -13.3012 -13.3010 -11.2440 -11.2433 -11.2082 -11.2072 -3.5833 -3.5499 -3.5219 -3.4853 -1.5351 -1.4838 -1.4505 -1.4369 -1.2220 -1.1814 -1.1736 -1.1155 -0.4831 -0.4824 -0.4685 -0.4647 0.1032 0.1317 0.1612 0.2349 0.4553 0.5107 0.5126 0.6119 1.3153 1.3211 1.3951 1.4385 1.6461 1.7771 1.8033 1.9053 2.3025 2.4032 2.4331 2.4552 2.6843 2.7816 2.8600 2.8812 3.2585 3.2785 3.3038 3.3753 3.4713 3.4761 3.5821 3.6213 3.6708 3.6794 3.9015 3.9064 4.0323 4.0575 4.1203 4.1309 4.7458 4.7905 4.8021 4.8348 5.2416 5.3040 5.3297 5.4346 5.6312 5.6364 5.6493 5.6623 9.0112 9.0797 9.0863 9.1521 12.3808 12.4120 12.5087 12.5168 13.0246 13.0473 13.1978 13.2050 14.1530 14.2395 14.2462 14.2643 k = 0.0000 0.0903 0.3638 ( 5534 PWs) bands (ev): -17.6091 -17.6080 -17.5991 -17.5980 -14.1367 -14.1337 -14.0878 -14.0847 -13.3084 -13.3078 -13.3015 -13.3014 -11.2480 -11.2473 -11.2053 -11.2042 -3.5848 -3.5519 -3.5110 -3.4743 -1.5381 -1.4765 -1.4489 -1.4313 -1.2158 -1.1798 -1.1595 -1.1026 -0.4866 -0.4849 -0.4678 -0.4660 0.1067 0.1406 0.1594 0.2480 0.4484 0.5036 0.5137 0.6208 1.3025 1.3110 1.3974 1.4491 1.6310 1.7863 1.7896 1.9086 2.2799 2.3962 2.4305 2.4505 2.6650 2.7728 2.8759 2.8915 3.2195 3.2406 3.2749 3.3551 3.4486 3.4514 3.5919 3.6084 3.6585 3.6653 3.9151 3.9235 4.0326 4.0570 4.1359 4.1517 4.7449 4.7942 4.8038 4.8361 5.2573 5.3126 5.3576 5.4630 5.6395 5.6429 5.6597 5.6723 9.0186 9.0870 9.1089 9.1740 12.3679 12.4043 12.4971 12.5055 13.0153 13.0379 13.2176 13.2227 14.1397 14.2364 14.2430 14.2700 k = 0.0000 0.1053 0.3638 ( 5539 PWs) bands (ev): -17.6089 -17.6079 -17.5972 -17.5962 -14.1418 -14.1388 -14.0849 -14.0819 -13.3100 -13.3094 -13.3020 -13.3019 -11.2520 -11.2514 -11.2025 -11.2014 -3.5855 -3.5533 -3.4992 -3.4626 -1.5407 -1.4686 -1.4473 -1.4249 -1.2077 -1.1766 -1.1441 -1.0889 -0.4910 -0.4867 -0.4679 -0.4672 0.1112 0.1503 0.1584 0.2620 0.4415 0.4952 0.5161 0.6293 1.2897 1.3008 1.3984 1.4591 1.6158 1.7759 1.7946 1.9099 2.2582 2.3884 2.4267 2.4414 2.6448 2.7626 2.8905 2.9002 3.1789 3.2005 3.2441 3.3319 3.4226 3.4265 3.5914 3.5998 3.6384 3.6634 3.9254 3.9384 4.0338 4.0566 4.1531 4.1741 4.7448 4.7983 4.8068 4.8370 5.2753 5.3235 5.3864 5.4908 5.6506 5.6519 5.6728 5.6842 9.0286 9.0967 9.1342 9.1985 12.3535 12.3944 12.4835 12.4923 13.0079 13.0301 13.2364 13.2395 14.1272 14.2332 14.2397 14.2747 k = 0.0000 0.1203 0.3638 ( 5540 PWs) bands (ev): -17.6086 -17.6076 -17.5953 -17.5943 -14.1469 -14.1439 -14.0823 -14.0793 -13.3117 -13.3111 -13.3026 -13.3025 -11.2560 -11.2555 -11.1998 -11.1987 -3.5856 -3.5541 -3.4867 -3.4501 -1.5428 -1.4601 -1.4456 -1.4174 -1.1978 -1.1718 -1.1277 -1.0746 -0.4956 -0.4885 -0.4702 -0.4666 0.1164 0.1581 0.1607 0.2768 0.4349 0.4875 0.5180 0.6372 1.2771 1.2908 1.3982 1.4684 1.6009 1.7622 1.8020 1.9090 2.2380 2.3799 2.4218 2.4286 2.6234 2.7503 2.9028 2.9060 3.1382 3.1593 3.2120 3.3069 3.3947 3.4015 3.5737 3.6023 3.6224 3.6619 3.9332 3.9508 4.0357 4.0563 4.1718 4.1976 4.7451 4.8033 4.8101 4.8384 5.2946 5.3359 5.4151 5.5169 5.6634 5.6648 5.6894 5.6984 9.0413 9.1089 9.1620 9.2256 12.3374 12.3824 12.4675 12.4774 13.0022 13.0236 13.2540 13.2553 14.1154 14.2293 14.2371 14.2786 k = 0.0000 0.1354 0.3638 ( 5546 PWs) bands (ev): -17.6082 -17.6071 -17.5933 -17.5923 -14.1520 -14.1492 -14.0798 -14.0768 -13.3136 -13.3130 -13.3033 -13.3033 -11.2600 -11.2596 -11.1972 -11.1962 -3.5850 -3.5542 -3.4735 -3.4371 -1.5444 -1.4509 -1.4439 -1.4090 -1.1863 -1.1654 -1.1104 -1.0597 -0.5002 -0.4903 -0.4730 -0.4658 0.1223 0.1583 0.1718 0.2921 0.4287 0.4807 0.5194 0.6445 1.2647 1.2811 1.3966 1.4769 1.5863 1.7488 1.8086 1.9058 2.2194 2.3704 2.4127 2.4156 2.6005 2.7354 2.9069 2.9110 3.0993 3.1189 3.1790 3.2815 3.3660 3.3769 3.5563 3.5893 3.6203 3.6597 3.9390 3.9609 4.0378 4.0562 4.1915 4.2218 4.7453 4.8096 4.8123 4.8415 5.3144 5.3490 5.4431 5.5400 5.6776 5.6822 5.7100 5.7152 9.0564 9.1235 9.1925 9.2553 12.3198 12.3683 12.4490 12.4610 12.9981 13.0186 13.2697 13.2699 14.1049 14.2247 14.2358 14.2819 k = 0.0000 0.1504 0.3638 ( 5546 PWs) bands (ev): -17.6076 -17.6066 -17.5911 -17.5902 -14.1573 -14.1544 -14.0775 -14.0746 -13.3155 -13.3149 -13.3041 -13.3041 -11.2640 -11.2636 -11.1949 -11.1938 -3.5839 -3.5539 -3.4597 -3.4235 -1.5456 -1.4423 -1.4409 -1.3995 -1.1732 -1.1576 -1.0922 -1.0443 -0.5047 -0.4922 -0.4761 -0.4649 0.1286 0.1590 0.1836 0.3077 0.4230 0.4747 0.5204 0.6512 1.2525 1.2718 1.3937 1.4846 1.5721 1.7356 1.8144 1.9002 2.2027 2.3599 2.3941 2.4084 2.5761 2.7176 2.9000 2.9118 3.0655 3.0810 3.1459 3.2571 3.3377 3.3533 3.5398 3.5692 3.6239 3.6566 3.9433 3.9685 4.0400 4.0564 4.2122 4.2462 4.7450 4.8122 4.8175 4.8476 5.3338 5.3623 5.4696 5.5595 5.6944 5.7028 5.7348 5.7351 9.0739 9.1405 9.2254 9.2874 12.3006 12.3521 12.4280 12.4431 12.9955 13.0148 13.2824 13.2838 14.0957 14.2195 14.2358 14.2847 k = 0.0000 0.1655 0.3638 ( 5540 PWs) bands (ev): -17.6069 -17.6059 -17.5889 -17.5880 -14.1625 -14.1598 -14.0754 -14.0726 -13.3176 -13.3169 -13.3050 -13.3050 -11.2680 -11.2676 -11.1926 -11.1916 -3.5822 -3.5530 -3.4453 -3.4094 -1.5462 -1.4408 -1.4302 -1.3891 -1.1590 -1.1485 -1.0735 -1.0286 -0.5092 -0.4941 -0.4795 -0.4636 0.1351 0.1599 0.1959 0.3234 0.4182 0.4697 0.5212 0.6572 1.2406 1.2630 1.3895 1.4912 1.5586 1.7229 1.8195 1.8923 2.1879 2.3482 2.3735 2.4001 2.5500 2.6967 2.8831 2.9010 3.0402 3.0473 3.1133 3.2341 3.3109 3.3317 3.5241 3.5479 3.6274 3.6525 3.9468 3.9740 4.0421 4.0569 4.2336 4.2707 4.7439 4.8098 4.8269 4.8564 5.3523 5.3753 5.4940 5.5752 5.7139 5.7263 5.7580 5.7634 9.0939 9.1597 9.2608 9.3219 12.2799 12.3339 12.4047 12.4238 12.9941 13.0121 13.2932 13.2955 14.0881 14.2142 14.2373 14.2874 k = 0.0000 0.1805 0.3638 ( 5542 PWs) bands (ev): -17.6061 -17.6052 -17.5866 -17.5857 -14.1678 -14.1651 -14.0735 -14.0707 -13.3197 -13.3190 -13.3061 -13.3060 -11.2719 -11.2716 -11.1905 -11.1895 -3.5801 -3.5518 -3.4304 -3.3950 -1.5463 -1.4393 -1.4188 -1.3778 -1.1437 -1.1383 -1.0542 -1.0126 -0.5134 -0.4961 -0.4830 -0.4618 0.1416 0.1609 0.2087 0.3385 0.4148 0.4658 0.5218 0.6626 1.2290 1.2548 1.3839 1.4966 1.5460 1.7109 1.8239 1.8822 2.1749 2.3351 2.3513 2.3908 2.5223 2.6729 2.8557 2.8770 3.0176 3.0236 3.0827 3.2121 3.2869 3.3140 3.5095 3.5266 3.6301 3.6477 3.9499 3.9777 4.0440 4.0576 4.2554 4.2948 4.7421 4.8057 4.8378 4.8670 5.3696 5.3879 5.5159 5.5878 5.7361 5.7525 5.7837 5.7951 9.1160 9.1810 9.2985 9.3587 12.2576 12.3137 12.3793 12.4028 12.9937 13.0104 13.3019 13.3047 14.0822 14.2089 14.2400 14.2902 k = 0.0000 0.1956 0.3638 ( 5540 PWs) bands (ev): -17.6052 -17.6043 -17.5843 -17.5834 -14.1730 -14.1704 -14.0718 -14.0691 -13.3219 -13.3212 -13.3071 -13.3071 -11.2758 -11.2755 -11.1885 -11.1875 -3.5776 -3.5502 -3.4152 -3.3802 -1.5459 -1.4380 -1.4065 -1.3656 -1.1276 -1.1272 -1.0346 -0.9966 -0.5173 -0.4983 -0.4865 -0.4594 0.1478 0.1619 0.2219 0.3523 0.4133 0.4630 0.5226 0.6673 1.2180 1.2472 1.3770 1.5008 1.5344 1.6995 1.8275 1.8703 2.1636 2.3205 2.3280 2.3802 2.4935 2.6464 2.8198 2.8434 2.9903 3.0089 3.0565 3.1895 3.2669 3.3020 3.4959 3.5055 3.6318 3.6422 3.9529 3.9800 4.0456 4.0586 4.2773 4.3185 4.7393 4.8005 4.8498 4.8789 5.3856 5.3999 5.5351 5.5978 5.7609 5.7807 5.8118 5.8286 9.1403 9.2043 9.3384 9.3977 12.2339 12.2916 12.3520 12.3801 12.9942 13.0095 13.3085 13.3113 14.0782 14.2039 14.2442 14.2932 k = 0.0000 0.2106 0.3638 ( 5538 PWs) bands (ev): -17.6043 -17.6034 -17.5819 -17.5811 -14.1782 -14.1757 -14.0702 -14.0676 -13.3241 -13.3234 -13.3083 -13.3082 -11.2796 -11.2793 -11.1867 -11.1857 -3.5747 -3.5483 -3.3996 -3.3652 -1.5449 -1.4367 -1.3934 -1.3527 -1.1153 -1.1109 -1.0149 -0.9806 -0.5210 -0.5007 -0.4899 -0.4564 0.1534 0.1627 0.2357 0.3634 0.4148 0.4612 0.5240 0.6713 1.2075 1.2403 1.3689 1.5036 1.5241 1.6889 1.8303 1.8569 2.1537 2.3038 2.3041 2.3683 2.4642 2.6175 2.7788 2.8047 2.9632 2.9883 3.0374 3.1647 3.2522 3.2968 3.4834 3.4851 3.6328 3.6362 3.9562 3.9814 4.0469 4.0597 4.2993 4.3416 4.7358 4.7942 4.8628 4.8916 5.4004 5.4114 5.5516 5.6060 5.7880 5.8104 5.8416 5.8633 9.1666 9.2294 9.3804 9.4388 12.2088 12.2677 12.3230 12.3555 12.9952 13.0092 13.3128 13.3152 14.0761 14.1994 14.2497 14.2967 k = 0.0000 0.2256 0.3638 ( 5540 PWs) bands (ev): -17.6032 -17.6024 -17.5795 -17.5787 -14.1833 -14.1809 -14.0688 -14.0663 -13.3263 -13.3257 -13.3095 -13.3093 -11.2833 -11.2831 -11.1850 -11.1840 -3.5715 -3.5462 -3.3838 -3.3501 -1.5433 -1.4354 -1.3797 -1.3391 -1.1029 -1.0940 -0.9952 -0.9647 -0.5243 -0.5033 -0.4929 -0.4526 0.1584 0.1631 0.2498 0.3708 0.4199 0.4605 0.5263 0.6747 1.1976 1.2340 1.3597 1.5049 1.5151 1.6790 1.8323 1.8424 2.1448 2.2792 2.2858 2.3545 2.4352 2.5867 2.7351 2.7640 2.9356 2.9618 3.0221 3.1372 3.2435 3.2973 3.4656 3.4719 3.6299 3.6330 3.9600 3.9821 4.0479 4.0610 4.3210 4.3639 4.7314 4.7871 4.8764 4.9047 5.4141 5.4225 5.5656 5.6129 5.8170 5.8410 5.8725 5.8982 9.1947 9.2563 9.4243 9.4817 12.1825 12.2419 12.2925 12.3291 12.9968 13.0095 13.3149 13.3166 14.0757 14.1954 14.2565 14.3007 k = 0.0000 0.2407 0.3638 ( 5542 PWs) bands (ev): -17.6022 -17.6013 -17.5772 -17.5763 -14.1883 -14.1860 -14.0676 -14.0652 -13.3285 -13.3279 -13.3107 -13.3105 -11.2868 -11.2867 -11.1834 -11.1824 -3.5681 -3.5439 -3.3679 -3.3350 -1.5411 -1.4341 -1.3653 -1.3250 -1.0901 -1.0770 -0.9757 -0.9490 -0.5274 -0.5062 -0.4953 -0.4480 0.1626 0.1632 0.2642 0.3750 0.4275 0.4608 0.5303 0.6775 1.1886 1.2285 1.3497 1.5048 1.5076 1.6699 1.8272 1.8333 2.1366 2.2543 2.2653 2.3385 2.4079 2.5545 2.6906 2.7227 2.9075 2.9333 3.0057 3.1076 3.2404 3.3019 3.4472 3.4615 3.6235 3.6326 3.9643 3.9826 4.0487 4.0623 4.3424 4.3854 4.7263 4.7793 4.8904 4.9180 5.4269 5.4332 5.5775 5.6186 5.8471 5.8720 5.9040 5.9328 9.2245 9.2846 9.4699 9.5263 12.1549 12.2144 12.2606 12.3008 12.9987 13.0102 13.3149 13.3155 14.0771 14.1921 14.2643 14.3054 k = 0.0000 0.2557 0.3638 ( 5549 PWs) bands (ev): -17.6010 -17.6003 -17.5748 -17.5740 -14.1932 -14.1910 -14.0665 -14.0642 -13.3307 -13.3301 -13.3119 -13.3117 -11.2903 -11.2901 -11.1819 -11.1810 -3.5646 -3.5415 -3.3520 -3.3201 -1.5383 -1.4329 -1.3503 -1.3105 -1.0773 -1.0601 -0.9567 -0.9337 -0.5302 -0.5092 -0.4968 -0.4426 0.1627 0.1658 0.2789 0.3772 0.4357 0.4617 0.5366 0.6798 1.1804 1.2234 1.3394 1.5017 1.5032 1.6614 1.8116 1.8332 2.1290 2.2294 2.2425 2.3198 2.3833 2.5214 2.6464 2.6817 2.8791 2.9046 2.9866 3.0767 3.2420 3.3082 3.4303 3.4526 3.6171 3.6319 3.9693 3.9830 4.0492 4.0637 4.3632 4.4059 4.7205 4.7709 4.9046 4.9313 5.4389 5.4435 5.5876 5.6236 5.8780 5.9029 5.9356 5.9666 9.2556 9.3142 9.5171 9.5724 12.1263 12.1854 12.2276 12.2707 13.0008 13.0111 13.3123 13.3130 14.0801 14.1896 14.2731 14.3107 k = 0.0000 0.2708 0.3638 ( 5549 PWs) bands (ev): -17.5999 -17.5992 -17.5724 -17.5717 -14.1980 -14.1959 -14.0656 -14.0634 -13.3329 -13.3323 -13.3131 -13.3129 -11.2936 -11.2935 -11.1806 -11.1797 -3.5609 -3.5390 -3.3362 -3.3054 -1.5349 -1.4317 -1.3348 -1.2956 -1.0645 -1.0438 -0.9382 -0.9189 -0.5329 -0.5124 -0.4972 -0.4365 0.1619 0.1681 0.2937 0.3787 0.4428 0.4632 0.5456 0.6818 1.1733 1.2187 1.3292 1.4972 1.5002 1.6532 1.7959 1.8318 2.1217 2.2046 2.2175 2.2988 2.3617 2.4880 2.6034 2.6417 2.8511 2.8767 2.9652 3.0451 3.2466 3.3147 3.4152 3.4454 3.6111 3.6308 3.9748 3.9836 4.0495 4.0652 4.3834 4.4254 4.7142 4.7620 4.9188 4.9444 5.4502 5.4536 5.5963 5.6279 5.9089 5.9334 5.9667 5.9992 9.2880 9.3448 9.5656 9.6197 12.0969 12.1549 12.1937 12.2386 13.0030 13.0122 13.3072 13.3093 14.0845 14.1878 14.2827 14.3167 k = 0.0000 0.2858 0.3638 ( 5552 PWs) bands (ev): -17.5988 -17.5980 -17.5701 -17.5694 -14.2026 -14.2006 -14.0648 -14.0627 -13.3351 -13.3345 -13.3143 -13.3141 -11.2967 -11.2967 -11.1794 -11.1785 -3.5572 -3.5365 -3.3207 -3.2910 -1.5309 -1.4306 -1.3191 -1.2807 -1.0520 -1.0281 -0.9206 -0.9047 -0.5354 -0.5157 -0.4962 -0.4298 0.1606 0.1695 0.3085 0.3799 0.4481 0.4651 0.5572 0.6835 1.1673 1.2142 1.3196 1.4941 1.4959 1.6451 1.7805 1.8288 2.1146 2.1802 2.1908 2.2766 2.3425 2.4546 2.5622 2.6029 2.8237 2.8499 2.9423 3.0134 3.2525 3.3197 3.4022 3.4403 3.6056 3.6296 3.9809 3.9842 4.0496 4.0668 4.4028 4.4438 4.7074 4.7527 4.9328 4.9572 5.4609 5.4633 5.6038 5.6317 5.9395 5.9631 5.9970 6.0305 9.3213 9.3762 9.6150 9.6679 12.0668 12.1231 12.1592 12.2049 13.0052 13.0134 13.3007 13.3042 14.0901 14.1868 14.2928 14.3232 k = 0.0000 0.3009 0.3638 ( 5578 PWs) bands (ev): -17.5976 -17.5970 -17.5679 -17.5672 -14.2071 -14.2052 -14.0641 -14.0621 -13.3371 -13.3366 -13.3155 -13.3153 -11.2997 -11.2997 -11.1782 -11.1775 -3.5534 -3.5340 -3.3054 -3.2771 -1.5264 -1.4295 -1.3032 -1.2659 -1.0398 -1.0134 -0.9040 -0.8912 -0.5379 -0.5190 -0.4936 -0.4226 0.1589 0.1701 0.3229 0.3810 0.4521 0.4670 0.5709 0.6849 1.1627 1.2096 1.3113 1.4904 1.4923 1.6371 1.7654 1.8240 2.1078 2.1563 2.1631 2.2542 2.3246 2.4218 2.5231 2.5658 2.7975 2.8244 2.9186 2.9820 3.2586 3.3222 3.3917 3.4374 3.6008 3.6284 3.9851 3.9873 4.0498 4.0686 4.4213 4.4611 4.7002 4.7431 4.9465 4.9695 5.4711 5.4728 5.6103 5.6350 5.9692 5.9916 6.0262 6.0600 9.3552 9.4079 9.6651 9.7166 12.0363 12.0904 12.1243 12.1695 13.0072 13.0146 13.2929 13.2978 14.0966 14.1865 14.3032 14.3302 k = 0.0000 0.3159 0.3638 ( 5572 PWs) bands (ev): -17.5965 -17.5959 -17.5657 -17.5651 -14.2113 -14.2095 -14.0635 -14.0616 -13.3391 -13.3386 -13.3166 -13.3164 -11.3025 -11.3025 -11.1772 -11.1765 -3.5497 -3.5316 -3.2906 -3.2638 -1.5213 -1.4285 -1.2872 -1.2512 -1.0282 -0.9997 -0.8885 -0.8785 -0.5401 -0.5222 -0.4894 -0.4151 0.1570 0.1699 0.3368 0.3818 0.4551 0.4690 0.5860 0.6863 1.1593 1.2047 1.3049 1.4838 1.4918 1.6289 1.7510 1.8171 2.1011 2.1330 2.1355 2.2323 2.3075 2.3900 2.4866 2.5307 2.7726 2.8002 2.8948 2.9514 3.2636 3.3220 3.3841 3.4367 3.5972 3.6273 3.9863 3.9938 4.0500 4.0706 4.4388 4.4771 4.6929 4.7333 4.9598 4.9813 5.4807 5.4818 5.6160 5.6379 5.9978 6.0187 6.0542 6.0876 9.3895 9.4398 9.7156 9.7656 12.0057 12.0570 12.0893 12.1329 13.0092 13.0157 13.2845 13.2905 14.1039 14.1869 14.3137 14.3374 k = 0.0000 0.3309 0.3638 ( 5570 PWs) bands (ev): -17.5954 -17.5948 -17.5637 -17.5631 -14.2152 -14.2136 -14.0630 -14.0613 -13.3410 -13.3405 -13.3177 -13.3175 -11.3052 -11.3052 -11.1763 -11.1756 -3.5461 -3.5294 -3.2764 -3.2512 -1.5157 -1.4277 -1.2714 -1.2370 -1.0172 -0.9874 -0.8744 -0.8667 -0.5421 -0.5253 -0.4837 -0.4075 0.1550 0.1692 0.3498 0.3823 0.4580 0.4710 0.6017 0.6878 1.1573 1.1993 1.3007 1.4759 1.4924 1.6205 1.7374 1.8080 2.0940 2.1089 2.1111 2.2111 2.2907 2.3598 2.4528 2.4977 2.7492 2.7775 2.8715 2.9219 3.2669 3.3191 3.3795 3.4373 3.5948 3.6264 3.9876 4.0001 4.0506 4.0727 4.4554 4.4918 4.6855 4.7234 4.9724 4.9923 5.4897 5.4904 5.6210 5.6405 6.0249 6.0442 6.0807 6.1133 9.4236 9.4713 9.7660 9.8142 11.9752 12.0234 12.0546 12.0952 13.0110 13.0167 13.2756 13.2826 14.1119 14.1878 14.3240 14.3448 k = 0.0000 0.3460 0.3638 ( 5582 PWs) bands (ev): -17.5943 -17.5938 -17.5618 -17.5612 -14.2189 -14.2174 -14.0626 -14.0610 -13.3428 -13.3424 -13.3187 -13.3186 -11.3076 -11.3076 -11.1755 -11.1748 -3.5426 -3.5272 -3.2629 -3.2393 -1.5097 -1.4271 -1.2559 -1.2234 -1.0069 -0.9765 -0.8616 -0.8559 -0.5437 -0.5283 -0.4765 -0.3999 0.1529 0.1680 0.3614 0.3822 0.4611 0.4730 0.6176 0.6894 1.1567 1.1936 1.2989 1.4669 1.4941 1.6122 1.7246 1.7966 2.0822 2.0840 2.0948 2.1908 2.2742 2.3315 2.4220 2.4672 2.7277 2.7562 2.8493 2.8940 3.2680 3.3141 3.3779 3.4385 3.5938 3.6257 3.9890 4.0057 4.0518 4.0750 4.4708 4.5052 4.6783 4.7137 4.9844 5.0027 5.4982 5.4986 5.6255 5.6426 6.0502 6.0679 6.1054 6.1368 9.4573 9.5020 9.8158 9.8620 11.9450 11.9901 12.0204 12.0568 13.0126 13.0176 13.2666 13.2743 14.1202 14.1891 14.3341 14.3521 k = 0.0000 0.3610 0.3638 ( 5580 PWs) bands (ev): -17.5934 -17.5929 -17.5600 -17.5595 -14.2223 -14.2210 -14.0623 -14.0608 -13.3444 -13.3440 -13.3197 -13.3195 -11.3098 -11.3098 -11.1747 -11.1742 -3.5392 -3.5253 -3.2501 -3.2285 -1.5034 -1.4268 -1.2409 -1.2107 -0.9973 -0.9671 -0.8503 -0.8461 -0.5450 -0.5310 -0.4680 -0.3927 0.1510 0.1664 0.3713 0.3815 0.4647 0.4752 0.6330 0.6912 1.1572 1.1878 1.2993 1.4567 1.4966 1.6039 1.7128 1.7832 2.0611 2.0627 2.0874 2.1715 2.2583 2.3057 2.3943 2.4392 2.7080 2.7362 2.8285 2.8678 3.2673 3.3079 3.3789 3.4394 3.5943 3.6254 3.9906 4.0102 4.0538 4.0774 4.4850 4.5172 4.6714 4.7042 4.9957 5.0122 5.5060 5.5062 5.6294 5.6445 6.0737 6.0896 6.1284 6.1580 9.4900 9.5316 9.8645 9.9084 11.9156 11.9578 11.9871 12.0184 13.0141 13.0184 13.2579 13.2659 14.1288 14.1907 14.3437 14.3591 k = 0.0000 0.3761 0.3638 ( 5572 PWs) bands (ev): -17.5924 -17.5920 -17.5583 -17.5579 -14.2255 -14.2242 -14.0620 -14.0607 -13.3459 -13.3456 -13.3206 -13.3204 -11.3119 -11.3119 -11.1741 -11.1736 -3.5360 -3.5236 -3.2382 -3.2186 -1.4968 -1.4267 -1.2266 -1.1989 -0.9885 -0.9593 -0.8404 -0.8374 -0.5458 -0.5333 -0.4585 -0.3861 0.1493 0.1645 0.3790 0.3804 0.4690 0.4778 0.6476 0.6933 1.1587 1.1822 1.3018 1.4453 1.4999 1.5961 1.7022 1.7683 2.0405 2.0422 2.0823 2.1533 2.2434 2.2826 2.3696 2.4137 2.6903 2.7176 2.8095 2.8436 3.2653 3.3010 3.3816 3.4396 3.5961 3.6253 3.9923 4.0133 4.0570 4.0799 4.4980 4.5277 4.6650 4.6951 5.0061 5.0208 5.5132 5.5132 5.6328 5.6461 6.0951 6.1092 6.1495 6.1769 9.5215 9.5596 9.9116 9.9528 11.8871 11.9271 11.9550 11.9806 13.0153 13.0191 13.2496 13.2577 14.1374 14.1924 14.3527 14.3658 k = 0.0000 0.3911 0.3638 ( 5568 PWs) bands (ev): -17.5916 -17.5912 -17.5568 -17.5564 -14.2282 -14.2272 -14.0617 -14.0606 -13.3473 -13.3470 -13.3214 -13.3212 -11.3137 -11.3137 -11.1735 -11.1731 -3.5330 -3.5221 -3.2273 -3.2098 -1.4900 -1.4271 -1.2133 -1.1883 -0.9805 -0.9530 -0.8320 -0.8298 -0.5461 -0.5354 -0.4482 -0.3804 0.1478 0.1624 0.3789 0.3844 0.4736 0.4809 0.6611 0.6957 1.1610 1.1772 1.3058 1.4330 1.5039 1.5887 1.6929 1.7526 2.0219 2.0225 2.0778 2.1361 2.2302 2.2628 2.3481 2.3907 2.6747 2.7003 2.7926 2.8218 3.2627 3.2938 3.3855 3.4389 3.5990 3.6254 3.9940 4.0150 4.0611 4.0824 4.5096 4.5366 4.6592 4.6865 5.0155 5.0284 5.5196 5.5197 5.6359 5.6473 6.1143 6.1266 6.1686 6.1935 9.5511 9.5854 9.9564 9.9943 11.8600 11.8990 11.9242 11.9443 13.0164 13.0196 13.2419 13.2498 14.1459 14.1940 14.3610 14.3720 k = 0.0000 0.4062 0.3638 ( 5566 PWs) bands (ev): -17.5908 -17.5905 -17.5555 -17.5551 -14.2307 -14.2298 -14.0615 -14.0606 -13.3485 -13.3482 -13.3221 -13.3220 -11.3152 -11.3152 -11.1730 -11.1726 -3.5303 -3.5208 -3.2174 -3.2022 -1.4831 -1.4280 -1.2010 -1.1790 -0.9732 -0.9482 -0.8250 -0.8234 -0.5461 -0.5371 -0.4375 -0.3759 0.1466 0.1602 0.3775 0.3873 0.4785 0.4844 0.6732 0.6983 1.1636 1.1731 1.3110 1.4201 1.5085 1.5817 1.6850 1.7368 2.0042 2.0052 2.0736 2.1200 2.2192 2.2463 2.3297 2.3700 2.6612 2.6845 2.7781 2.8025 3.2600 3.2868 3.3899 3.4372 3.6026 3.6257 3.9958 4.0155 4.0658 4.0847 4.5200 4.5439 4.6544 4.6785 5.0240 5.0350 5.5252 5.5253 5.6386 5.6483 6.1313 6.1417 6.1856 6.2076 9.5784 9.6086 9.9981 10.0323 11.8348 11.8739 11.8944 11.9109 13.0173 13.0199 13.2351 13.2425 14.1541 14.1953 14.3684 14.3775 k = 0.0000 0.4212 0.3638 ( 5564 PWs) bands (ev): -17.5902 -17.5899 -17.5543 -17.5540 -14.2328 -14.2320 -14.0614 -14.0606 -13.3495 -13.3493 -13.3227 -13.3226 -11.3166 -11.3166 -11.1726 -11.1723 -3.5278 -3.5199 -3.2087 -3.1959 -1.4763 -1.4294 -1.1899 -1.1712 -0.9667 -0.9447 -0.8192 -0.8181 -0.5458 -0.5385 -0.4266 -0.3727 0.1459 0.1579 0.3762 0.3882 0.4834 0.4882 0.6837 0.7010 1.1662 1.1702 1.3170 1.4070 1.5135 1.5751 1.6788 1.7218 1.9877 1.9903 2.0695 2.1052 2.2108 2.2333 2.3146 2.3516 2.6498 2.6702 2.7660 2.7858 3.2576 3.2801 3.3946 3.4348 3.6066 3.6259 3.9976 4.0151 4.0708 4.0867 4.5291 4.5495 4.6506 4.6713 5.0314 5.0406 5.5301 5.5302 5.6410 5.6490 6.1458 6.1544 6.2004 6.2192 9.6030 9.6287 10.0359 10.0658 11.8122 11.8525 11.8652 11.8822 13.0180 13.0202 13.2293 13.2358 14.1619 14.1963 14.3749 14.3822 k = 0.0000 0.4362 0.3638 ( 5570 PWs) bands (ev): -17.5896 -17.5894 -17.5534 -17.5531 -14.2345 -14.2338 -14.0612 -14.0606 -13.3503 -13.3502 -13.3232 -13.3231 -11.3177 -11.3177 -11.1723 -11.1720 -3.5256 -3.5193 -3.2012 -3.1908 -1.4695 -1.4315 -1.1803 -1.1651 -0.9609 -0.9426 -0.8147 -0.8138 -0.5453 -0.5396 -0.4160 -0.3710 0.1455 0.1556 0.3753 0.3875 0.4879 0.4918 0.6924 0.7037 1.1685 1.1685 1.3235 1.3942 1.5189 1.5686 1.6744 1.7083 1.9737 1.9774 2.0656 2.0919 2.2051 2.2235 2.3028 2.3352 2.6408 2.6577 2.7564 2.7719 3.2558 3.2740 3.3992 3.4318 3.6106 3.6261 3.9995 4.0141 4.0755 4.0884 4.5368 4.5536 4.6479 4.6649 5.0376 5.0450 5.5341 5.5343 5.6430 5.6494 6.1579 6.1648 6.2130 6.2284 9.6244 9.6454 10.0691 10.0941 11.7932 11.8352 11.8374 11.8587 13.0186 13.0203 13.2246 13.2301 14.1691 14.1966 14.3804 14.3861 k = 0.0000 0.4513 0.3638 ( 5576 PWs) bands (ev): -17.5892 -17.5890 -17.5526 -17.5524 -14.2358 -14.2353 -14.0611 -14.0606 -13.3510 -13.3509 -13.3236 -13.3235 -11.3185 -11.3185 -11.1720 -11.1718 -3.5237 -3.5189 -3.1951 -3.1872 -1.4630 -1.4341 -1.1722 -1.1606 -0.9558 -0.9417 -0.8112 -0.8106 -0.5447 -0.5405 -0.4059 -0.3710 0.1455 0.1534 0.3751 0.3857 0.4919 0.4949 0.6992 0.7061 1.1678 1.1701 1.3303 1.3821 1.5246 1.5622 1.6718 1.6966 1.9625 1.9665 2.0624 2.0805 2.2019 2.2162 2.2946 2.3210 2.6342 2.6472 2.7493 2.7606 3.2548 3.2686 3.4037 3.4283 3.6144 3.6260 4.0014 4.0126 4.0799 4.0895 4.5432 4.5560 4.6464 4.6594 5.0428 5.0483 5.5373 5.5374 5.6448 5.6495 6.1676 6.1727 6.2233 6.2350 9.6422 9.6581 10.0969 10.1163 11.7785 11.8126 11.8222 11.8399 13.0191 13.0204 13.2210 13.2253 14.1756 14.1963 14.3849 14.3891 k = 0.0000 0.4663 0.3638 ( 5574 PWs) bands (ev): -17.5888 -17.5887 -17.5520 -17.5519 -14.2367 -14.2364 -14.0610 -14.0607 -13.3515 -13.3514 -13.3238 -13.3238 -11.3192 -11.3192 -11.1718 -11.1717 -3.5221 -3.5189 -3.1902 -3.1849 -1.4569 -1.4374 -1.1658 -1.1580 -0.9515 -0.9418 -0.8088 -0.8084 -0.5440 -0.5413 -0.3966 -0.3728 0.1460 0.1514 0.3756 0.3834 0.4951 0.4971 0.7042 0.7079 1.1682 1.1709 1.3373 1.3711 1.5305 1.5558 1.6710 1.6872 1.9547 1.9579 2.0601 2.0714 2.2008 2.2108 2.2902 2.3091 2.6300 2.6388 2.7448 2.7522 3.2547 3.2640 3.4081 3.4246 3.6178 3.6255 4.0033 4.0109 4.0835 4.0899 4.5483 4.5570 4.6461 4.6548 5.0467 5.0504 5.5396 5.5397 5.6462 5.6494 6.1747 6.1781 6.2313 6.2392 9.6559 9.6667 10.1184 10.1317 11.7691 11.7922 11.8136 11.8255 13.0195 13.0203 13.2186 13.2216 14.1814 14.1951 14.3883 14.3911 k = 0.0000 0.4814 0.3638 ( 5568 PWs) bands (ev): -17.5886 -17.5886 -17.5517 -17.5516 -14.2372 -14.2371 -14.0609 -14.0608 -13.3517 -13.3517 -13.3240 -13.3240 -11.3195 -11.3195 -11.1717 -11.1716 -3.5208 -3.5192 -3.1867 -3.1841 -1.4512 -1.4414 -1.1611 -1.1571 -0.9479 -0.9429 -0.8074 -0.8071 -0.5433 -0.5419 -0.3884 -0.3763 0.1469 0.1496 0.3767 0.3809 0.4973 0.4984 0.7074 0.7090 1.1691 1.1708 1.3446 1.3613 1.5366 1.5494 1.6721 1.6800 1.9503 1.9522 2.0595 2.0648 2.2016 2.2067 2.2897 2.2997 2.6283 2.6328 2.7428 2.7464 3.2555 3.2602 3.4124 3.4207 3.6207 3.6245 4.0052 4.0091 4.0864 4.0896 4.5523 4.5566 4.6468 4.6512 5.0495 5.0513 5.5411 5.5411 5.6474 5.6490 6.1793 6.1810 6.2369 6.2410 9.6654 9.6708 10.1330 10.1398 11.7655 11.7773 11.8096 11.8156 13.0198 13.0202 13.2175 13.2190 14.1862 14.1931 14.3906 14.3920 k = 0.0000 0.4964 0.3638 ( 5582 PWs) bands (ev): -17.5885 -17.5885 -17.5516 -17.5516 -14.2374 -14.2374 -14.0608 -14.0608 -13.3518 -13.3518 -13.3241 -13.3241 -11.3197 -11.3197 -11.1716 -11.1716 -3.5199 -3.5199 -3.1847 -3.1847 -1.4460 -1.4460 -1.1582 -1.1582 -0.9450 -0.9449 -0.8068 -0.8068 -0.5426 -0.5426 -0.3816 -0.3815 0.1480 0.1481 0.3785 0.3786 0.4984 0.4984 0.7089 0.7089 1.1701 1.1701 1.3525 1.3526 1.5429 1.5430 1.6750 1.6751 1.9495 1.9495 2.0609 2.0610 2.2036 2.2036 2.2929 2.2931 2.6292 2.6293 2.7432 2.7433 3.2573 3.2575 3.4165 3.4167 3.6229 3.6229 4.0072 4.0072 4.0884 4.0884 4.5550 4.5551 4.6485 4.6485 5.0510 5.0510 5.5415 5.5415 5.6483 5.6483 6.1814 6.1815 6.2401 6.2402 9.6704 9.6704 10.1402 10.1403 11.7681 11.7683 11.8103 11.8103 13.0201 13.0201 13.2176 13.2176 14.1901 14.1902 14.3918 14.3918 k = 0.0000 0.4964 0.3638 ( 5582 PWs) bands (ev): -17.5885 -17.5885 -17.5516 -17.5516 -14.2374 -14.2374 -14.0608 -14.0608 -13.3518 -13.3518 -13.3241 -13.3241 -11.3197 -11.3197 -11.1716 -11.1716 -3.5199 -3.5199 -3.1847 -3.1847 -1.4460 -1.4460 -1.1582 -1.1582 -0.9450 -0.9449 -0.8068 -0.8068 -0.5426 -0.5426 -0.3816 -0.3815 0.1480 0.1481 0.3785 0.3786 0.4984 0.4984 0.7089 0.7089 1.1701 1.1701 1.3525 1.3526 1.5429 1.5430 1.6750 1.6751 1.9495 1.9495 2.0609 2.0610 2.2036 2.2036 2.2929 2.2931 2.6292 2.6293 2.7432 2.7433 3.2573 3.2575 3.4165 3.4167 3.6229 3.6229 4.0072 4.0072 4.0884 4.0884 4.5550 4.5551 4.6485 4.6485 5.0510 5.0510 5.5415 5.5415 5.6483 5.6483 6.1814 6.1815 6.2401 6.2402 9.6704 9.6704 10.1402 10.1403 11.7681 11.7683 11.8103 11.8103 13.0201 13.0201 13.2176 13.2176 14.1901 14.1902 14.3918 14.3918 k = 0.0000 0.4965 0.3637 ( 5584 PWs) bands (ev): -17.5885 -17.5885 -17.5516 -17.5516 -14.2374 -14.2374 -14.0608 -14.0608 -13.3518 -13.3518 -13.3241 -13.3241 -11.3197 -11.3197 -11.1716 -11.1716 -3.5199 -3.5199 -3.1847 -3.1847 -1.4460 -1.4460 -1.1582 -1.1582 -0.9450 -0.9450 -0.8068 -0.8068 -0.5426 -0.5426 -0.3816 -0.3816 0.1481 0.1481 0.3785 0.3785 0.4984 0.4984 0.7089 0.7089 1.1701 1.1701 1.3525 1.3525 1.5429 1.5429 1.6750 1.6750 1.9495 1.9495 2.0609 2.0609 2.2036 2.2036 2.2930 2.2930 2.6292 2.6292 2.7433 2.7433 3.2574 3.2574 3.4166 3.4166 3.6229 3.6229 4.0072 4.0072 4.0884 4.0884 4.5550 4.5550 4.6485 4.6485 5.0510 5.0510 5.5415 5.5415 5.6483 5.6483 6.1814 6.1814 6.2402 6.2402 9.6704 9.6704 10.1403 10.1403 11.7682 11.7682 11.8103 11.8103 13.0201 13.0201 13.2176 13.2176 14.1902 14.1902 14.3918 14.3918 k = 0.0000 0.4965 0.3637 ( 5584 PWs) bands (ev): -17.5885 -17.5885 -17.5516 -17.5516 -14.2374 -14.2374 -14.0608 -14.0608 -13.3518 -13.3518 -13.3241 -13.3241 -11.3197 -11.3197 -11.1716 -11.1716 -3.5199 -3.5199 -3.1847 -3.1847 -1.4460 -1.4460 -1.1582 -1.1582 -0.9450 -0.9450 -0.8068 -0.8068 -0.5426 -0.5426 -0.3816 -0.3816 0.1481 0.1481 0.3785 0.3785 0.4984 0.4984 0.7089 0.7089 1.1701 1.1701 1.3525 1.3525 1.5429 1.5429 1.6750 1.6750 1.9495 1.9495 2.0609 2.0609 2.2036 2.2036 2.2930 2.2930 2.6292 2.6292 2.7433 2.7433 3.2574 3.2574 3.4166 3.4166 3.6229 3.6229 4.0072 4.0072 4.0884 4.0884 4.5550 4.5550 4.6485 4.6485 5.0510 5.0510 5.5415 5.5415 5.6483 5.6483 6.1814 6.1814 6.2402 6.2402 9.6704 9.6704 10.1403 10.1403 11.7682 11.7682 11.8103 11.8103 13.0201 13.0201 13.2176 13.2176 14.1902 14.1902 14.3918 14.3918 k = 0.0152 0.4965 0.3637 ( 5564 PWs) bands (ev): -17.5885 -17.5884 -17.5516 -17.5514 -14.2375 -14.2372 -14.0611 -14.0608 -13.3520 -13.3518 -13.3243 -13.3239 -11.3197 -11.3196 -11.1717 -11.1716 -3.5211 -3.5183 -3.1860 -3.1827 -1.4473 -1.4441 -1.1604 -1.1565 -0.9475 -0.9426 -0.8102 -0.8037 -0.5447 -0.5405 -0.3841 -0.3784 0.1428 0.1519 0.3729 0.3847 0.4924 0.5048 0.7076 0.7095 1.1523 1.1865 1.3303 1.3732 1.5283 1.5595 1.6594 1.6908 1.9422 1.9561 2.0546 2.0684 2.1963 2.2103 2.2880 2.3004 2.6133 2.6461 2.7323 2.7557 3.2541 3.2612 3.4104 3.4207 3.6204 3.6256 3.9945 4.0190 4.0723 4.1054 4.5522 4.5573 4.6470 4.6510 5.0443 5.0567 5.5386 5.5429 5.6477 5.6494 6.1795 6.1826 6.2380 6.2420 9.6691 9.6710 10.1391 10.1408 11.7660 11.7701 11.8109 11.8137 13.0184 13.0201 13.2175 13.2184 14.1840 14.1940 14.3893 14.3933 k = 0.0303 0.4965 0.3637 ( 5564 PWs) bands (ev): -17.5884 -17.5881 -17.5514 -17.5512 -14.2375 -14.2370 -14.0616 -14.0610 -13.3524 -13.3519 -13.3246 -13.3239 -11.3196 -11.3194 -11.1721 -11.1719 -3.5220 -3.5164 -3.1866 -3.1802 -1.4479 -1.4416 -1.1633 -1.1556 -0.9502 -0.9403 -0.8138 -0.8008 -0.5467 -0.5383 -0.3858 -0.3745 0.1364 0.1542 0.3678 0.3913 0.4871 0.5114 0.7056 0.7094 1.1338 1.2009 1.3077 1.3909 1.5169 1.5764 1.6451 1.7060 1.9346 1.9614 2.0503 2.0760 2.1890 2.2160 2.2860 2.3094 2.5991 2.6626 2.7239 2.7693 3.2514 3.2656 3.4022 3.4227 3.6182 3.6285 3.9816 4.0270 4.0602 4.1225 4.5488 4.5590 4.6467 4.6545 5.0368 5.0614 5.5344 5.5426 5.6476 5.6508 6.1766 6.1828 6.2354 6.2433 9.6669 9.6707 10.1372 10.1407 11.7640 11.7713 11.8156 11.8206 13.0152 13.0184 13.2181 13.2198 14.1757 14.1954 14.3858 14.3934 k = 0.0455 0.4965 0.3637 ( 5568 PWs) bands (ev): -17.5881 -17.5877 -17.5512 -17.5509 -14.2376 -14.2368 -14.0623 -14.0614 -13.3529 -13.3522 -13.3250 -13.3240 -11.3194 -11.3191 -11.1726 -11.1723 -3.5225 -3.5142 -3.1865 -3.1770 -1.4479 -1.4384 -1.1669 -1.1554 -0.9531 -0.9381 -0.8178 -0.7981 -0.5487 -0.5362 -0.3868 -0.3699 0.1290 0.1548 0.3633 0.3982 0.4826 0.5181 0.7030 0.7087 1.1149 1.2119 1.2863 1.4038 1.5104 1.5903 1.6357 1.7202 1.9270 1.9649 2.0489 2.0825 2.1828 2.2208 2.2872 2.3190 2.5875 2.6757 2.7204 2.7836 3.2492 3.2705 3.3922 3.4223 3.6163 3.6317 3.9690 4.0234 4.0599 4.1392 4.5449 4.5601 4.6475 4.6591 5.0284 5.0650 5.5291 5.5408 5.6481 5.6524 6.1729 6.1822 6.2325 6.2442 9.6640 9.6697 10.1346 10.1399 11.7626 11.7722 11.8242 11.8302 13.0104 13.0151 13.2192 13.2218 14.1655 14.1943 14.3815 14.3922 k = 0.0606 0.4965 0.3637 ( 5564 PWs) bands (ev): -17.5877 -17.5872 -17.5509 -17.5505 -14.2375 -14.2365 -14.0632 -14.0620 -13.3536 -13.3527 -13.3255 -13.3242 -11.3192 -11.3187 -11.1734 -11.1730 -3.5227 -3.5118 -3.1858 -3.1733 -1.4473 -1.4346 -1.1709 -1.1558 -0.9561 -0.9360 -0.8222 -0.7956 -0.5509 -0.5341 -0.3869 -0.3648 0.1209 0.1539 0.3594 0.4052 0.4790 0.5245 0.6998 0.7074 1.0959 1.2169 1.2684 1.4107 1.5095 1.5944 1.6387 1.7331 1.9196 1.9659 2.0509 2.0868 2.1788 2.2251 2.2913 2.3285 2.5792 2.6808 2.7263 2.7986 3.2476 3.2760 3.3806 3.4196 3.6145 3.6352 3.9567 4.0106 4.0687 4.1550 4.5402 4.5606 4.6495 4.6649 5.0194 5.0675 5.5229 5.5375 5.6492 5.6541 6.1683 6.1808 6.2293 6.2445 9.6603 9.6678 10.1314 10.1384 11.7624 11.7735 11.8360 11.8423 13.0041 13.0102 13.2209 13.2243 14.1539 14.1907 14.3763 14.3894 k = 0.0758 0.4965 0.3637 ( 5568 PWs) bands (ev): -17.5872 -17.5866 -17.5505 -17.5499 -14.2375 -14.2362 -14.0643 -14.0628 -13.3544 -13.3533 -13.3261 -13.3245 -11.3188 -11.3183 -11.1743 -11.1738 -3.5225 -3.5091 -3.1845 -3.1691 -1.4461 -1.4303 -1.1755 -1.1569 -0.9593 -0.9341 -0.8270 -0.7932 -0.5532 -0.5321 -0.3862 -0.3591 0.1124 0.1514 0.3561 0.4123 0.4766 0.5306 0.6961 0.7059 1.0770 1.2115 1.2581 1.4126 1.5121 1.5905 1.6532 1.7446 1.9126 1.9644 2.0562 2.0879 2.1776 2.2296 2.2978 2.3372 2.5748 2.6788 2.7403 2.8139 3.2468 3.2821 3.3676 3.4146 3.6128 3.6391 3.9449 3.9959 4.0793 4.1698 4.5350 4.5605 4.6528 4.6720 5.0099 5.0689 5.5163 5.5330 5.6508 5.6557 6.1628 6.1784 6.2256 6.2443 9.6559 9.6652 10.1276 10.1361 11.7633 11.7755 11.8504 11.8567 12.9965 13.0038 13.2229 13.2273 14.1411 14.1847 14.3701 14.3852 k = 0.0909 0.4965 0.3637 ( 5560 PWs) bands (ev): -17.5865 -17.5858 -17.5499 -17.5493 -14.2374 -14.2359 -14.0656 -14.0638 -13.3554 -13.3541 -13.3268 -13.3249 -11.3184 -11.3177 -11.1754 -11.1748 -3.5219 -3.5062 -3.1825 -3.1643 -1.4444 -1.4253 -1.1805 -1.1587 -0.9627 -0.9323 -0.8321 -0.7909 -0.5558 -0.5303 -0.3845 -0.3528 0.1036 0.1477 0.3532 0.4193 0.4754 0.5360 0.6922 0.7042 1.0584 1.1970 1.2539 1.4119 1.5141 1.5884 1.6716 1.7546 1.9063 1.9611 2.0639 2.0860 2.1787 2.2351 2.3063 2.3448 2.5746 2.6745 2.7571 2.8295 3.2467 3.2887 3.3536 3.4071 3.6109 3.6436 3.9336 3.9810 4.0896 4.1833 4.5291 4.5595 4.6577 4.6806 5.0001 5.0692 5.5093 5.5277 5.6527 5.6574 6.1564 6.1752 6.2216 6.2435 9.6508 9.6617 10.1232 10.1332 11.7654 11.7785 11.8672 11.8732 12.9875 12.9960 13.2253 13.2306 14.1274 14.1767 14.3627 14.3797 k = 0.1061 0.4965 0.3637 ( 5570 PWs) bands (ev): -17.5857 -17.5849 -17.5493 -17.5486 -14.2373 -14.2356 -14.0671 -14.0651 -13.3566 -13.3551 -13.3276 -13.3254 -11.3178 -11.3171 -11.1767 -11.1760 -3.5210 -3.5031 -3.1798 -3.1591 -1.4422 -1.4199 -1.1860 -1.1611 -0.9663 -0.9305 -0.8377 -0.7888 -0.5588 -0.5289 -0.3818 -0.3461 0.0949 0.1430 0.3508 0.4259 0.4755 0.5407 0.6880 0.7027 1.0402 1.1790 1.2503 1.4105 1.5122 1.5921 1.6907 1.7630 1.9009 1.9566 2.0714 2.0837 2.1808 2.2419 2.3160 2.3516 2.5786 2.6702 2.7744 2.8451 3.2474 3.2953 3.3394 3.3971 3.6089 3.6488 3.9231 3.9665 4.0984 4.1953 4.5226 4.5576 4.6642 4.6909 4.9903 5.0686 5.5023 5.5218 5.6549 5.6592 6.1491 6.1710 6.2172 6.2421 9.6451 9.6574 10.1182 10.1296 11.7688 11.7826 11.8861 11.8916 12.9774 12.9868 13.2277 13.2340 14.1131 14.1670 14.3540 14.3730 k = 0.1212 0.4965 0.3637 ( 5576 PWs) bands (ev): -17.5848 -17.5839 -17.5486 -17.5478 -14.2371 -14.2352 -14.0688 -14.0665 -13.3579 -13.3562 -13.3284 -13.3260 -11.3172 -11.3163 -11.1782 -11.1774 -3.5198 -3.4998 -3.1766 -3.1535 -1.4395 -1.4141 -1.1919 -1.1641 -0.9700 -0.9289 -0.8438 -0.7869 -0.5623 -0.5279 -0.3781 -0.3390 0.0863 0.1376 0.3489 0.4319 0.4769 0.5443 0.6838 0.7017 1.0224 1.1607 1.2446 1.4091 1.5069 1.6007 1.7093 1.7697 1.8970 1.9514 2.0712 2.0891 2.1826 2.2493 2.3268 2.3586 2.5863 2.6667 2.7909 2.8606 3.2491 3.2995 3.3277 3.3849 3.6066 3.6548 3.9133 3.9524 4.1054 4.2054 4.5154 4.5547 4.6725 4.7030 4.9808 5.0671 5.4954 5.5157 5.6572 5.6613 6.1408 6.1659 6.2123 6.2399 9.6386 9.6523 10.1126 10.1253 11.7734 11.7879 11.9068 11.9118 12.9663 12.9764 13.2301 13.2375 14.0985 14.1558 14.3437 14.3656 k = 0.1364 0.4965 0.3637 ( 5582 PWs) bands (ev): -17.5838 -17.5828 -17.5478 -17.5469 -14.2369 -14.2348 -14.0707 -14.0681 -13.3593 -13.3574 -13.3292 -13.3267 -11.3164 -11.3154 -11.1799 -11.1790 -3.5182 -3.4964 -3.1728 -3.1475 -1.4365 -1.4078 -1.1980 -1.1677 -0.9740 -0.9274 -0.8502 -0.7852 -0.5663 -0.5274 -0.3735 -0.3316 0.0780 0.1319 0.3476 0.4374 0.4796 0.5466 0.6798 0.7014 1.0053 1.1431 1.2365 1.4076 1.5005 1.6118 1.7271 1.7747 1.8949 1.9462 2.0660 2.0995 2.1839 2.2560 2.3386 2.3667 2.5962 2.6648 2.8063 2.8758 3.2516 3.2937 3.3262 3.3705 3.6040 3.6618 3.9043 3.9388 4.1101 4.2134 4.5077 4.5506 4.6827 4.7172 4.9720 5.0651 5.4888 5.5095 5.6594 5.6638 6.1317 6.1599 6.2071 6.2370 9.6316 9.6465 10.1065 10.1204 11.7793 11.7943 11.9293 11.9337 12.9542 12.9650 13.2323 13.2407 14.0838 14.1435 14.3319 14.3575 k = 0.1515 0.4965 0.3637 ( 5584 PWs) bands (ev): -17.5827 -17.5816 -17.5469 -17.5460 -14.2366 -14.2343 -14.0726 -14.0698 -13.3608 -13.3588 -13.3301 -13.3274 -11.3155 -11.3144 -11.1817 -11.1808 -3.5163 -3.4929 -3.1684 -3.1412 -1.4330 -1.4012 -1.2045 -1.1717 -0.9781 -0.9261 -0.8570 -0.7838 -0.5709 -0.5275 -0.3679 -0.3241 0.0703 0.1262 0.3470 0.4421 0.4835 0.5477 0.6760 0.7021 0.9887 1.1267 1.2265 1.4052 1.4945 1.6236 1.7436 1.7778 1.8949 1.9411 2.0605 2.1106 2.1847 2.2605 2.3520 2.3765 2.6065 2.6658 2.8201 2.8906 3.2547 3.2794 3.3338 3.3543 3.6013 3.6696 3.8960 3.9256 4.1122 4.2190 4.4993 4.5451 4.6949 4.7334 4.9643 5.0628 5.4826 5.5035 5.6615 5.6670 6.1216 6.1528 6.2013 6.2333 9.6239 9.6399 10.1000 10.1148 11.7864 11.8020 11.9533 11.9570 12.9413 12.9526 13.2342 13.2436 14.0693 14.1305 14.3187 14.3488 k = 0.1667 0.4965 0.3637 ( 5574 PWs) bands (ev): -17.5815 -17.5804 -17.5460 -17.5450 -14.2363 -14.2339 -14.0748 -14.0718 -13.3624 -13.3602 -13.3311 -13.3282 -11.3145 -11.3133 -11.1838 -11.1828 -3.5141 -3.4894 -3.1635 -3.1347 -1.4293 -1.3943 -1.2111 -1.1761 -0.9823 -0.9248 -0.8643 -0.7826 -0.5760 -0.5281 -0.3617 -0.3165 0.0631 0.1207 0.3471 0.4461 0.4883 0.5475 0.6728 0.7042 0.9727 1.1116 1.2152 1.4013 1.4899 1.6348 1.7587 1.7790 1.8971 1.9366 2.0557 2.1213 2.1854 2.2622 2.3676 2.3879 2.6144 2.6715 2.8321 2.9048 3.2552 3.2655 3.3347 3.3464 3.5985 3.6783 3.8885 3.9128 4.1115 4.2218 4.4904 4.5384 4.7092 4.7518 4.9580 5.0606 5.4768 5.4978 5.6637 5.6707 6.1106 6.1448 6.1951 6.2288 9.6158 9.6327 10.0930 10.1086 11.7947 11.8108 11.9787 11.9816 12.9278 12.9395 13.2356 13.2459 14.0551 14.1169 14.3045 14.3397 k = 0.1818 0.4965 0.3637 ( 5572 PWs) bands (ev): -17.5803 -17.5791 -17.5450 -17.5439 -14.2360 -14.2334 -14.0770 -14.0738 -13.3641 -13.3618 -13.3320 -13.3290 -11.3134 -11.3121 -11.1860 -11.1849 -3.5117 -3.4859 -3.1582 -3.1280 -1.4253 -1.3871 -1.2179 -1.1809 -0.9866 -0.9236 -0.8718 -0.7819 -0.5816 -0.5294 -0.3548 -0.3090 0.0567 0.1158 0.3481 0.4497 0.4938 0.5462 0.6700 0.7076 0.9573 1.0978 1.2031 1.3957 1.4868 1.6448 1.7724 1.7787 1.9012 1.9330 2.0519 2.1312 2.1863 2.2614 2.3851 2.4005 2.6180 2.6830 2.8422 2.9184 3.2407 3.2657 3.3167 3.3584 3.5957 3.6879 3.8816 3.9004 4.1079 4.2216 4.4809 4.5302 4.7257 4.7723 4.9537 5.0589 5.4713 5.4926 5.6660 5.6750 6.0986 6.1358 6.1884 6.2234 9.6072 9.6248 10.0855 10.1019 11.8043 11.8208 12.0051 12.0073 12.9139 12.9258 13.2364 13.2476 14.0413 14.1031 14.2894 14.3302 k = 0.1970 0.4965 0.3637 ( 5570 PWs) bands (ev): -17.5790 -17.5777 -17.5439 -17.5428 -14.2357 -14.2329 -14.0793 -14.0760 -13.3659 -13.3635 -13.3330 -13.3299 -11.3121 -11.3107 -11.1883 -11.1872 -3.5090 -3.4823 -3.1524 -3.1212 -1.4211 -1.3798 -1.2249 -1.1860 -0.9910 -0.9226 -0.8797 -0.7816 -0.5875 -0.5313 -0.3476 -0.3017 0.0510 0.1116 0.3500 0.4530 0.4995 0.5441 0.6680 0.7123 0.9427 1.0853 1.1909 1.3885 1.4848 1.6531 1.7771 1.7854 1.9061 1.9310 2.0493 2.1397 2.1879 2.2587 2.4039 2.4137 2.6177 2.6992 2.8504 2.9312 3.2217 3.2673 3.3000 3.3718 3.5931 3.6982 3.8749 3.8887 4.1017 4.2181 4.4708 4.5206 4.7445 4.7948 4.9517 5.0581 5.4661 5.4879 5.6686 5.6799 6.0857 6.1256 6.1812 6.2172 9.5981 9.6163 10.0778 10.0947 11.8150 11.8319 12.0325 12.0338 12.8995 12.9116 13.2364 13.2484 14.0283 14.0892 14.2739 14.3203 k = 0.2121 0.4965 0.3637 ( 5560 PWs) bands (ev): -17.5776 -17.5762 -17.5429 -17.5417 -14.2353 -14.2324 -14.0818 -14.0783 -13.3677 -13.3652 -13.3340 -13.3308 -11.3107 -11.3092 -11.1909 -11.1896 -3.5061 -3.4788 -3.1464 -3.1143 -1.4167 -1.3725 -1.2319 -1.1913 -0.9955 -0.9217 -0.8878 -0.7819 -0.5937 -0.5338 -0.3401 -0.2949 0.0461 0.1084 0.3529 0.4561 0.5052 0.5415 0.6666 0.7183 0.9287 1.0741 1.1788 1.3802 1.4835 1.6590 1.7756 1.7970 1.9100 1.9318 2.0480 2.1468 2.1904 2.2551 2.4230 2.4277 2.6150 2.7180 2.8566 2.9432 3.2018 3.2591 3.2934 3.3856 3.5909 3.7093 3.8679 3.8784 4.0929 4.2112 4.4601 4.5096 4.7653 4.8192 4.9523 5.0586 5.4612 5.4837 5.6717 5.6852 6.0720 6.1145 6.1734 6.2101 9.5887 9.6073 10.0697 10.0869 11.8268 11.8440 12.0603 12.0611 12.8851 12.8972 13.2355 13.2482 14.0160 14.0756 14.2582 14.3103 k = 0.2273 0.4965 0.3637 ( 5560 PWs) bands (ev): -17.5762 -17.5748 -17.5417 -17.5405 -14.2349 -14.2319 -14.0842 -14.0807 -13.3696 -13.3671 -13.3349 -13.3317 -11.3091 -11.3076 -11.1935 -11.1922 -3.5030 -3.4754 -3.1400 -3.1074 -1.4123 -1.3651 -1.2389 -1.1967 -1.0000 -0.9209 -0.8961 -0.7829 -0.6000 -0.5369 -0.3327 -0.2886 0.0421 0.1063 0.3568 0.4593 0.5105 0.5391 0.6661 0.7252 0.9156 1.0639 1.1672 1.3710 1.4825 1.6622 1.7745 1.8081 1.9114 1.9365 2.0478 2.1524 2.1939 2.2511 2.4385 2.4451 2.6108 2.7379 2.8611 2.9545 3.1812 3.2406 3.2971 3.3993 3.5893 3.7208 3.8594 3.8706 4.0819 4.2012 4.4487 4.4974 4.7880 4.8452 4.9559 5.0608 5.4563 5.4801 5.6751 5.6911 6.0573 6.1022 6.1651 6.2021 9.5790 9.5978 10.0614 10.0788 11.8396 11.8570 12.0881 12.0894 12.8707 12.8827 13.2336 13.2468 14.0045 14.0622 14.2426 14.3001 k = 0.2424 0.4965 0.3637 ( 5560 PWs) bands (ev): -17.5747 -17.5733 -17.5406 -17.5394 -14.2344 -14.2313 -14.0868 -14.0831 -13.3715 -13.3689 -13.3359 -13.3326 -11.3074 -11.3058 -11.1964 -11.1950 -3.4998 -3.4721 -3.1333 -3.1006 -1.4078 -1.3577 -1.2460 -1.2023 -1.0045 -0.9202 -0.9044 -0.7846 -0.6061 -0.5406 -0.3255 -0.2829 0.0390 0.1051 0.3618 0.4626 0.5149 0.5376 0.6664 0.7330 0.9033 1.0545 1.1564 1.3613 1.4815 1.6623 1.7744 1.8188 1.9112 1.9437 2.0487 2.1568 2.1981 2.2472 2.4514 2.4647 2.6057 2.7578 2.8641 2.9649 3.1601 3.2191 3.3040 3.4123 3.5886 3.7325 3.8497 3.8651 4.0689 4.1885 4.4365 4.4840 4.8121 4.8727 4.9626 5.0651 5.4513 5.4770 5.6791 5.6974 6.0418 6.0889 6.1561 6.1933 9.5691 9.5880 10.0528 10.0703 11.8533 11.8709 12.1158 12.1181 12.8565 12.8684 13.2305 13.2441 13.9940 14.0494 14.2273 14.2899 k = 0.2576 0.4965 0.3637 ( 5556 PWs) bands (ev): -17.5733 -17.5719 -17.5395 -17.5382 -14.2340 -14.2308 -14.0893 -14.0856 -13.3734 -13.3708 -13.3368 -13.3336 -11.3056 -11.3039 -11.1993 -11.1979 -3.4964 -3.4689 -3.1265 -3.0938 -1.4033 -1.3505 -1.2529 -1.2078 -1.0089 -0.9201 -0.9124 -0.7871 -0.6120 -0.5448 -0.3186 -0.2780 0.0367 0.1049 0.3679 0.4662 0.5179 0.5379 0.6674 0.7413 0.8919 1.0459 1.1465 1.3511 1.4804 1.6593 1.7755 1.8293 1.9105 1.9519 2.0504 2.1605 2.2025 2.2440 2.4632 2.4842 2.5998 2.7765 2.8663 2.9746 3.1386 3.1972 3.3116 3.4237 3.5892 3.7437 3.8404 3.8611 4.0545 4.1735 4.4237 4.4695 4.8371 4.9014 4.9727 5.0718 5.4462 5.4743 5.6835 5.7043 6.0256 6.0745 6.1466 6.1836 9.5591 9.5779 10.0442 10.0615 11.8679 11.8856 12.1433 12.1468 12.8427 12.8544 13.2263 13.2400 13.9845 14.0371 14.2128 14.2799 k = 0.2727 0.4965 0.3637 ( 5560 PWs) bands (ev): -17.5718 -17.5704 -17.5383 -17.5371 -14.2335 -14.2303 -14.0918 -14.0881 -13.3753 -13.3727 -13.3377 -13.3345 -11.3036 -11.3019 -11.2024 -11.2009 -3.4930 -3.4658 -3.1196 -3.0873 -1.3989 -1.3435 -1.2597 -1.2133 -1.0132 -0.9238 -0.9168 -0.7904 -0.6174 -0.5495 -0.3121 -0.2738 0.0355 0.1055 0.3748 0.4701 0.5193 0.5401 0.6692 0.7499 0.8816 1.0379 1.1378 1.3406 1.4791 1.6536 1.7778 1.8399 1.9101 1.9600 2.0528 2.1640 2.2064 2.2417 2.4741 2.5030 2.5936 2.7927 2.8687 2.9834 3.1170 3.1755 3.3191 3.4328 3.5916 3.7533 3.8326 3.8582 4.0391 4.1570 4.4102 4.4541 4.8627 4.9309 4.9864 5.0812 5.4408 5.4719 5.6885 5.7115 6.0086 6.0592 6.1366 6.1730 9.5491 9.5675 10.0356 10.0526 11.8832 11.9008 12.1706 12.1752 12.8296 12.8409 13.2207 13.2345 13.9761 14.0256 14.1990 14.2701 k = 0.2879 0.4965 0.3637 ( 5572 PWs) bands (ev): -17.5703 -17.5690 -17.5372 -17.5360 -14.2330 -14.2298 -14.0943 -14.0906 -13.3772 -13.3746 -13.3385 -13.3354 -11.3015 -11.2997 -11.2056 -11.2040 -3.4895 -3.4630 -3.1127 -3.0810 -1.3945 -1.3367 -1.2664 -1.2187 -1.0173 -0.9317 -0.9169 -0.7946 -0.6222 -0.5545 -0.3063 -0.2705 0.0351 0.1067 0.3826 0.4743 0.5200 0.5438 0.6717 0.7583 0.8725 1.0303 1.1305 1.3298 1.4776 1.6456 1.7809 1.8505 1.9101 1.9677 2.0558 2.1676 2.2092 2.2410 2.4840 2.5209 2.5871 2.8041 2.8733 2.9912 3.0957 3.1545 3.3260 3.4390 3.5962 3.7596 3.8271 3.8567 4.0235 4.1399 4.3960 4.4379 4.8881 4.9606 5.0037 5.0934 5.4350 5.4697 5.6938 5.7191 5.9911 6.0429 6.1259 6.1616 9.5391 9.5571 10.0270 10.0435 11.8990 11.9164 12.1974 12.2030 12.8173 12.8283 13.2139 13.2275 13.9686 14.0148 14.1863 14.2606 k = 0.3030 0.4965 0.3637 ( 5568 PWs) bands (ev): -17.5689 -17.5675 -17.5360 -17.5349 -14.2325 -14.2294 -14.0968 -14.0932 -13.3790 -13.3765 -13.3393 -13.3363 -11.2992 -11.2974 -11.2090 -11.2073 -3.4859 -3.4603 -3.1057 -3.0750 -1.3902 -1.3303 -1.2729 -1.2239 -1.0213 -0.9403 -0.9163 -0.7995 -0.6264 -0.5599 -0.3010 -0.2679 0.0356 0.1082 0.3912 0.4788 0.5209 0.5483 0.6747 0.7661 0.8649 1.0229 1.1247 1.3190 1.4760 1.6359 1.7845 1.8612 1.9106 1.9747 2.0593 2.1714 2.2108 2.2420 2.4928 2.5377 2.5808 2.8087 2.8819 2.9978 3.0752 3.1344 3.3321 3.4420 3.6027 3.7613 3.8240 3.8578 4.0085 4.1229 4.3812 4.4210 4.9131 4.9897 5.0250 5.1086 5.4288 5.4675 5.6995 5.7269 5.9733 6.0258 6.1147 6.1495 9.5293 9.5467 10.0185 10.0345 11.9152 11.9322 12.2234 12.2301 12.8061 12.8166 13.2056 13.2189 13.9621 14.0049 14.1748 14.2516 k = 0.3182 0.4965 0.3637 ( 5568 PWs) bands (ev): -17.5675 -17.5662 -17.5350 -17.5338 -14.2319 -14.2289 -14.0992 -14.0956 -13.3807 -13.3783 -13.3400 -13.3372 -11.2968 -11.2949 -11.2124 -11.2107 -3.4824 -3.4579 -3.0988 -3.0693 -1.3860 -1.3243 -1.2790 -1.2290 -1.0249 -0.9489 -0.9155 -0.8052 -0.6298 -0.5654 -0.2964 -0.2661 0.0369 0.1098 0.4005 0.4836 0.5225 0.5532 0.6781 0.7728 0.8591 1.0158 1.1206 1.3080 1.4744 1.6248 1.7886 1.8717 1.9117 1.9808 2.0634 2.1755 2.2111 2.2445 2.5004 2.5519 2.5761 2.8067 2.8941 3.0025 3.0566 3.1154 3.3370 3.4417 3.6109 3.7584 3.8216 3.8618 3.9953 4.1068 4.3658 4.4036 4.9375 5.0171 5.0505 5.1268 5.4221 5.4652 5.7055 5.7348 5.9552 6.0079 6.1030 6.1367 9.5198 9.5364 10.0103 10.0255 11.9315 11.9480 12.2485 12.2562 12.7962 12.8061 13.1960 13.2089 13.9566 13.9959 14.1647 14.2429 k = 0.3333 0.4965 0.3637 ( 5572 PWs) bands (ev): -17.5661 -17.5649 -17.5339 -17.5328 -14.2314 -14.2285 -14.1014 -14.0980 -13.3824 -13.3801 -13.3407 -13.3380 -11.2942 -11.2923 -11.2159 -11.2141 -3.4790 -3.4558 -3.0921 -3.0641 -1.3820 -1.3189 -1.2846 -1.2338 -1.0282 -0.9575 -0.9146 -0.8115 -0.6325 -0.5711 -0.2925 -0.2649 0.0390 0.1112 0.4102 0.4884 0.5251 0.5583 0.6817 0.7778 0.8555 1.0087 1.1181 1.2970 1.4728 1.6128 1.7928 1.8819 1.9132 1.9861 2.0682 2.1798 2.2108 2.2479 2.5068 2.5581 2.5787 2.7997 2.9082 3.0041 3.0411 3.0981 3.3407 3.4386 3.6201 3.7526 3.8185 3.8677 3.9856 4.0926 4.3498 4.3858 4.9614 5.0424 5.0797 5.1479 5.4149 5.4626 5.7115 5.7428 5.9372 5.9894 6.0908 6.1233 9.5107 9.5264 10.0024 10.0167 11.9478 11.9636 12.2725 12.2810 12.7877 12.7972 13.1852 13.1974 13.9521 13.9878 14.1560 14.2348 k = 0.3485 0.4965 0.3637 ( 5580 PWs) bands (ev): -17.5649 -17.5637 -17.5329 -17.5319 -14.2309 -14.2281 -14.1036 -14.1003 -13.3840 -13.3818 -13.3413 -13.3388 -11.2915 -11.2895 -11.2195 -11.2177 -3.4756 -3.4538 -3.0856 -3.0593 -1.3781 -1.3145 -1.2895 -1.2384 -1.0311 -0.9659 -0.9135 -0.8183 -0.6345 -0.5768 -0.2891 -0.2643 0.0418 0.1122 0.4202 0.4931 0.5287 0.5635 0.6855 0.7806 0.8545 1.0018 1.1174 1.2860 1.4713 1.6003 1.7973 1.8909 1.9154 1.9904 2.0739 2.1842 2.2103 2.2518 2.5120 2.5549 2.5898 2.7894 2.9222 3.0011 3.0300 3.0834 3.3431 3.4331 3.6293 3.7451 3.8145 3.8727 3.9813 4.0809 4.3334 4.3677 4.9850 5.0662 5.1109 5.1713 5.4072 5.4597 5.7174 5.7505 5.9197 5.9706 6.0782 6.1093 9.5019 9.5166 9.9948 10.0082 11.9637 11.9788 12.2950 12.3042 12.7810 12.7898 13.1731 13.1846 13.9483 13.9805 14.1490 14.2270 k = 0.3636 0.4965 0.3637 ( 5580 PWs) bands (ev): -17.5636 -17.5625 -17.5320 -17.5310 -14.2304 -14.2277 -14.1056 -14.1025 -13.3854 -13.3834 -13.3419 -13.3396 -11.2887 -11.2866 -11.2232 -11.2213 -3.4723 -3.4522 -3.0793 -3.0549 -1.3742 -1.3117 -1.2927 -1.2427 -1.0336 -0.9740 -0.9123 -0.8254 -0.6358 -0.5825 -0.2863 -0.2641 0.0452 0.1127 0.4303 0.4974 0.5335 0.5688 0.6893 0.7810 0.8562 0.9949 1.1184 1.2751 1.4701 1.5874 1.8019 1.8978 1.9189 1.9939 2.0807 2.1883 2.2100 2.2557 2.5160 2.5495 2.6025 2.7770 2.9345 2.9947 3.0218 3.0727 3.3443 3.4258 3.6377 3.7369 3.8102 3.8744 3.9838 4.0721 4.3165 4.3494 5.0083 5.0889 5.1427 5.1964 5.3989 5.4564 5.7228 5.7577 5.9032 5.9518 6.0654 6.0950 9.4938 9.5074 9.9878 10.0001 11.9791 11.9932 12.3160 12.3256 12.7761 12.7844 13.1599 13.1707 13.9454 13.9741 14.1436 14.2197 k = 0.3788 0.4965 0.3637 ( 5572 PWs) bands (ev): -17.5625 -17.5615 -17.5311 -17.5302 -14.2298 -14.2274 -14.1074 -14.1046 -13.3868 -13.3849 -13.3424 -13.3403 -11.2857 -11.2836 -11.2269 -11.2250 -3.4691 -3.4508 -3.0734 -3.0511 -1.3705 -1.3118 -1.2933 -1.2467 -1.0356 -0.9819 -0.9107 -0.8327 -0.6365 -0.5881 -0.2839 -0.2644 0.0491 0.1125 0.4405 0.5012 0.5391 0.5740 0.6931 0.7792 0.8601 0.9879 1.1210 1.2643 1.4693 1.5744 1.8069 1.9011 1.9247 1.9964 2.0888 2.1916 2.2106 2.2594 2.5188 2.5441 2.6148 2.7634 2.9428 2.9896 3.0127 3.0667 3.3446 3.4171 3.6447 3.7284 3.8064 3.8723 3.9929 4.0666 4.2994 4.3310 5.0314 5.1108 5.1740 5.2225 5.3902 5.4527 5.7272 5.7640 5.8883 5.9335 6.0525 6.0804 9.4863 9.4987 9.9813 9.9925 11.9938 12.0068 12.3352 12.3450 12.7733 12.7809 13.1460 13.1559 13.9431 13.9685 14.1400 14.2127 k = 0.3939 0.4965 0.3637 ( 5572 PWs) bands (ev): -17.5615 -17.5606 -17.5303 -17.5295 -14.2293 -14.2271 -14.1091 -14.1065 -13.3880 -13.3863 -13.3428 -13.3409 -11.2826 -11.2805 -11.2307 -11.2287 -3.4661 -3.4498 -3.0678 -3.0479 -1.3669 -1.3145 -1.2914 -1.2504 -1.0371 -0.9895 -0.9089 -0.8401 -0.6366 -0.5935 -0.2818 -0.2649 0.0535 0.1116 0.4504 0.5043 0.5455 0.5791 0.6970 0.7758 0.8657 0.9809 1.1252 1.2537 1.4689 1.5615 1.8122 1.9011 1.9323 1.9980 2.0983 2.1935 2.2124 2.2624 2.5205 2.5389 2.6262 2.7495 2.9449 2.9882 3.0038 3.0643 3.3441 3.4076 3.6499 3.7195 3.8041 3.8674 4.0067 4.0644 4.2822 4.3126 5.0544 5.1317 5.2040 5.2485 5.3815 5.4485 5.7302 5.7688 5.8758 5.9164 6.0397 6.0658 9.4796 9.4906 9.9754 9.9854 12.0074 12.0192 12.3525 12.3622 12.7724 12.7794 13.1315 13.1405 13.9414 13.9636 14.1380 14.2060 k = 0.4091 0.4965 0.3637 ( 5574 PWs) bands (ev): -17.5606 -17.5597 -17.5296 -17.5289 -14.2289 -14.2269 -14.1105 -14.1082 -13.3890 -13.3875 -13.3431 -13.3415 -11.2794 -11.2773 -11.2345 -11.2325 -3.4632 -3.4490 -3.0626 -3.0453 -1.3634 -1.3183 -1.2885 -1.2539 -1.0379 -0.9967 -0.9068 -0.8474 -0.6361 -0.5988 -0.2801 -0.2657 0.0581 0.1100 0.4599 0.5067 0.5523 0.5838 0.7009 0.7712 0.8725 0.9736 1.1307 1.2432 1.4691 1.5489 1.8180 1.8986 1.9406 1.9986 2.1089 2.1939 2.2156 2.2646 2.5211 2.5342 2.6366 2.7360 2.9420 2.9822 3.0037 3.0637 3.3431 3.3975 3.6535 3.7106 3.8034 3.8613 4.0232 4.0654 4.2650 4.2942 5.0772 5.1513 5.2316 5.2730 5.3735 5.4441 5.7313 5.7713 5.8665 5.9013 6.0273 6.0514 9.4737 9.4833 9.9703 9.9789 12.0198 12.0302 12.3677 12.3769 12.7734 12.7797 13.1169 13.1250 13.9403 13.9593 14.1377 14.1995 k = 0.4242 0.4965 0.3637 ( 5568 PWs) bands (ev): -17.5597 -17.5591 -17.5290 -17.5284 -14.2284 -14.2267 -14.1117 -14.1098 -13.3899 -13.3886 -13.3434 -13.3420 -11.2761 -11.2740 -11.2383 -11.2363 -3.4606 -3.4486 -3.0579 -3.0432 -1.3599 -1.3225 -1.2853 -1.2571 -1.0381 -1.0034 -0.9042 -0.8546 -0.6352 -0.6038 -0.2786 -0.2667 0.0630 0.1077 0.4688 0.5082 0.5592 0.5878 0.7050 0.7658 0.8801 0.9662 1.1375 1.2328 1.4701 1.5369 1.8242 1.8945 1.9490 1.9983 2.1204 2.1930 2.2199 2.2656 2.5209 2.5301 2.6460 2.7234 2.9374 2.9711 3.0113 3.0635 3.3422 3.3874 3.6558 3.7017 3.8045 3.8547 4.0410 4.0693 4.2483 4.2760 5.0996 5.1690 5.2561 5.2939 5.3678 5.4394 5.7304 5.7705 5.8608 5.8894 6.0157 6.0374 9.4687 9.4768 9.9659 9.9732 12.0309 12.0397 12.3807 12.3890 12.7761 12.7817 13.1027 13.1098 13.9397 13.9556 14.1389 14.1930 k = 0.4394 0.4965 0.3637 ( 5564 PWs) bands (ev): -17.5590 -17.5585 -17.5284 -17.5280 -14.2280 -14.2266 -14.1127 -14.1111 -13.3906 -13.3896 -13.3436 -13.3425 -11.2727 -11.2706 -11.2421 -11.2400 -3.4581 -3.4484 -3.0537 -3.0418 -1.3565 -1.3267 -1.2822 -1.2602 -1.0377 -1.0097 -0.9013 -0.8615 -0.6338 -0.6085 -0.2773 -0.2678 0.0681 0.1048 0.4770 0.5087 0.5661 0.5907 0.7094 0.7598 0.8883 0.9584 1.1452 1.2225 1.4719 1.5255 1.8308 1.8891 1.9570 1.9970 2.1322 2.1910 2.2249 2.2651 2.5200 2.5266 2.6544 2.7123 2.9331 2.9598 3.0203 3.0628 3.3415 3.3777 3.6574 3.6931 3.8071 3.8482 4.0588 4.0754 4.2325 4.2581 5.1213 5.1839 5.2763 5.3079 5.3679 5.4348 5.7282 5.7660 5.8588 5.8812 6.0053 6.0242 9.4647 9.4713 9.9624 9.9683 12.0403 12.0475 12.3915 12.3986 12.7800 12.7848 13.0895 13.0955 13.9395 13.9523 14.1415 14.1866 k = 0.4545 0.4965 0.3637 ( 5556 PWs) bands (ev): -17.5585 -17.5581 -17.5280 -17.5276 -14.2276 -14.2265 -14.1134 -14.1122 -13.3911 -13.3903 -13.3437 -13.3429 -11.2693 -11.2672 -11.2458 -11.2438 -3.4559 -3.4486 -3.0501 -3.0411 -1.3531 -1.3308 -1.2792 -1.2630 -1.0365 -1.0154 -0.8980 -0.8680 -0.6319 -0.6129 -0.2760 -0.2689 0.0732 0.1013 0.4844 0.5083 0.5726 0.5923 0.7144 0.7533 0.8970 0.9503 1.1538 1.2124 1.4746 1.5150 1.8378 1.8828 1.9645 1.9949 2.1438 2.1881 2.2304 2.2631 2.5190 2.5236 2.6619 2.7027 2.9299 2.9497 3.0291 3.0614 3.3416 3.3687 3.6590 3.6852 3.8107 3.8419 4.0755 4.0832 4.2184 4.2409 5.1420 5.1948 5.2915 5.3130 5.3759 5.4303 5.7259 5.7582 5.8596 5.8765 5.9969 6.0123 9.4617 9.4667 9.9598 9.9643 12.0480 12.0534 12.4000 12.4057 12.7844 12.7883 13.0782 13.0829 13.9398 13.9494 14.1452 14.1802 k = 0.4697 0.4965 0.3637 ( 5562 PWs) bands (ev): -17.5581 -17.5578 -17.5277 -17.5274 -14.2273 -14.2266 -14.1139 -14.1130 -13.3914 -13.3909 -13.3438 -13.3432 -11.2658 -11.2638 -11.2494 -11.2475 -3.4540 -3.4491 -3.0470 -3.0410 -1.3496 -1.3348 -1.2764 -1.2657 -1.0347 -1.0205 -0.8942 -0.8742 -0.6297 -0.6169 -0.2748 -0.2701 0.0784 0.0973 0.4909 0.5069 0.5786 0.5924 0.7200 0.7466 0.9059 0.9418 1.1629 1.2023 1.4784 1.5054 1.8452 1.8757 1.9715 1.9918 2.1546 2.1842 2.2364 2.2596 2.5182 2.5212 2.6687 2.6945 2.9282 2.9413 3.0372 3.0588 3.3426 3.3607 3.6609 3.6782 3.8150 3.8360 4.0896 4.0915 4.2075 4.2251 5.1610 5.2000 5.3012 5.3131 5.3883 5.4254 5.7250 5.7487 5.8623 5.8738 5.9910 6.0021 9.4598 9.4631 9.9582 9.9611 12.0538 12.0575 12.4064 12.4104 12.7887 12.7914 13.0695 13.0728 13.9404 13.9469 14.1499 14.1738 k = 0.4848 0.4965 0.3637 ( 5560 PWs) bands (ev): -17.5578 -17.5576 -17.5275 -17.5273 -14.2270 -14.2267 -14.1141 -14.1136 -13.3916 -13.3913 -13.3437 -13.3434 -11.2625 -11.2609 -11.2525 -11.2509 -3.4523 -3.4499 -3.0446 -3.0415 -1.3460 -1.3387 -1.2736 -1.2684 -1.0322 -1.0251 -0.8899 -0.8799 -0.6271 -0.6207 -0.2736 -0.2713 0.0834 0.0930 0.4964 0.5044 0.5839 0.5910 0.7262 0.7397 0.9149 0.9330 1.1725 1.1922 1.4834 1.4969 1.8528 1.8683 1.9777 1.9879 2.1642 2.1790 2.2427 2.2547 2.5179 2.5194 2.6750 2.6874 2.9284 2.9349 3.0443 3.0552 3.3450 3.3540 3.6636 3.6722 3.8198 3.8303 4.0983 4.0991 4.2018 4.2118 5.1776 5.1985 5.3067 5.3119 5.4008 5.4194 5.7267 5.7392 5.8657 5.8717 5.9885 5.9943 9.4590 9.4606 9.9575 9.9589 12.0577 12.0596 12.4106 12.4127 12.7920 12.7934 13.0642 13.0659 13.9415 13.9448 14.1553 14.1675 k = 0.5000 0.4965 0.3637 ( 5568 PWs) bands (ev): -17.5576 -17.5576 -17.5273 -17.5273 -14.2268 -14.2268 -14.1140 -14.1140 -13.3915 -13.3915 -13.3436 -13.3436 -11.2601 -11.2601 -11.2534 -11.2534 -3.4510 -3.4510 -3.0427 -3.0427 -1.3424 -1.3424 -1.2710 -1.2710 -1.0290 -1.0290 -0.8851 -0.8851 -0.6241 -0.6241 -0.2725 -0.2725 0.0883 0.0883 0.5009 0.5009 0.5880 0.5880 0.7328 0.7328 0.9240 0.9240 1.1823 1.1823 1.4896 1.4896 1.8605 1.8605 1.9832 1.9832 2.1724 2.1724 2.2489 2.2489 2.5183 2.5183 2.6811 2.6811 2.9306 2.9306 3.0503 3.0503 3.3487 3.3487 3.6673 3.6673 3.8249 3.8249 4.1018 4.1018 4.2033 4.2033 5.1906 5.1906 5.3099 5.3099 5.4114 5.4114 5.7315 5.7315 5.8690 5.8690 5.9896 5.9896 9.4592 9.4592 9.9577 9.9577 12.0597 12.0597 12.4127 12.4127 12.7936 12.7936 13.0630 13.0630 13.9429 13.9429 14.1612 14.1612 k = 0.5000 0.4965 0.3637 ( 5568 PWs) bands (ev): -17.5576 -17.5576 -17.5273 -17.5273 -14.2268 -14.2268 -14.1140 -14.1140 -13.3915 -13.3915 -13.3436 -13.3436 -11.2601 -11.2601 -11.2534 -11.2534 -3.4510 -3.4510 -3.0427 -3.0427 -1.3424 -1.3424 -1.2710 -1.2710 -1.0290 -1.0290 -0.8851 -0.8851 -0.6241 -0.6241 -0.2725 -0.2725 0.0883 0.0883 0.5009 0.5009 0.5880 0.5880 0.7328 0.7328 0.9240 0.9240 1.1823 1.1823 1.4896 1.4896 1.8605 1.8605 1.9832 1.9832 2.1724 2.1724 2.2489 2.2489 2.5183 2.5183 2.6811 2.6811 2.9306 2.9306 3.0503 3.0503 3.3487 3.3487 3.6673 3.6673 3.8249 3.8249 4.1018 4.1018 4.2033 4.2033 5.1906 5.1906 5.3099 5.3099 5.4114 5.4114 5.7315 5.7315 5.8690 5.8690 5.9896 5.9896 9.4592 9.4592 9.9577 9.9577 12.0597 12.0597 12.4127 12.4127 12.7936 12.7936 13.0630 13.0630 13.9429 13.9429 14.1612 14.1612 k = 0.5000 0.4965 0.3636 ( 5568 PWs) bands (ev): -17.5576 -17.5576 -17.5273 -17.5273 -14.2268 -14.2268 -14.1140 -14.1140 -13.3915 -13.3915 -13.3436 -13.3436 -11.2601 -11.2601 -11.2534 -11.2534 -3.4510 -3.4510 -3.0427 -3.0427 -1.3424 -1.3424 -1.2710 -1.2710 -1.0290 -1.0290 -0.8852 -0.8851 -0.6241 -0.6240 -0.2725 -0.2724 0.0883 0.0883 0.5009 0.5010 0.5880 0.5881 0.7328 0.7328 0.9240 0.9240 1.1822 1.1823 1.4895 1.4896 1.8605 1.8605 1.9832 1.9832 2.1724 2.1724 2.2489 2.2490 2.5182 2.5183 2.6810 2.6811 2.9306 2.9306 3.0503 3.0503 3.3487 3.3487 3.6673 3.6673 3.8249 3.8249 4.1018 4.1018 4.2033 4.2034 5.1906 5.1906 5.3099 5.3099 5.4113 5.4114 5.7315 5.7315 5.8690 5.8691 5.9896 5.9896 9.4592 9.4592 9.9577 9.9577 12.0596 12.0597 12.4127 12.4128 12.7936 12.7936 13.0630 13.0630 13.9429 13.9430 14.1612 14.1613 k = 0.5000 0.4965 0.3636 ( 5568 PWs) bands (ev): -17.5576 -17.5576 -17.5273 -17.5273 -14.2268 -14.2268 -14.1140 -14.1140 -13.3915 -13.3915 -13.3436 -13.3436 -11.2601 -11.2601 -11.2534 -11.2534 -3.4510 -3.4510 -3.0427 -3.0427 -1.3424 -1.3424 -1.2710 -1.2710 -1.0290 -1.0290 -0.8852 -0.8851 -0.6241 -0.6240 -0.2725 -0.2724 0.0883 0.0883 0.5009 0.5010 0.5880 0.5881 0.7328 0.7328 0.9240 0.9240 1.1822 1.1823 1.4895 1.4896 1.8605 1.8605 1.9832 1.9832 2.1724 2.1724 2.2489 2.2490 2.5182 2.5183 2.6810 2.6811 2.9306 2.9306 3.0503 3.0503 3.3487 3.3487 3.6673 3.6673 3.8249 3.8249 4.1018 4.1018 4.2033 4.2034 5.1906 5.1906 5.3099 5.3099 5.4113 5.4114 5.7315 5.7315 5.8690 5.8691 5.9896 5.9896 9.4592 9.4592 9.9577 9.9577 12.0596 12.0597 12.4127 12.4128 12.7936 12.7936 13.0630 13.0630 13.9429 13.9430 14.1612 14.1613 k = 0.5000 0.4965 0.3485 ( 5556 PWs) bands (ev): -17.5576 -17.5576 -17.5274 -17.5274 -14.2268 -14.2267 -14.1142 -14.1140 -13.3915 -13.3914 -13.3437 -13.3436 -11.2600 -11.2599 -11.2534 -11.2530 -3.4526 -3.4499 -3.0448 -3.0434 -1.3442 -1.3413 -1.2719 -1.2706 -1.0311 -1.0285 -0.8918 -0.8811 -0.6285 -0.6183 -0.2826 -0.2625 0.0881 0.0889 0.4983 0.5028 0.5728 0.6055 0.7305 0.7350 0.9249 0.9263 1.1781 1.1885 1.4809 1.5013 1.8590 1.8601 1.9761 1.9898 2.1675 2.1764 2.2375 2.2647 2.5143 2.5268 2.6786 2.6824 2.9245 2.9293 3.0465 3.0602 3.3490 3.3491 3.6671 3.6680 3.8226 3.8266 4.1004 4.1036 4.2016 4.2058 5.1902 5.1921 5.3067 5.3124 5.4087 5.4134 5.7292 5.7332 5.8651 5.8721 5.9886 5.9900 9.4542 9.4588 9.9494 9.9578 12.0546 12.0668 12.4075 12.4187 12.7919 12.7951 13.0626 13.0634 13.9397 13.9461 14.1610 14.1611 k = 0.5000 0.4965 0.3333 ( 5560 PWs) bands (ev): -17.5576 -17.5576 -17.5276 -17.5275 -14.2265 -14.2264 -14.1148 -14.1144 -13.3912 -13.3912 -13.3438 -13.3437 -11.2596 -11.2593 -11.2532 -11.2523 -3.4548 -3.4495 -3.0495 -3.0468 -1.3467 -1.3409 -1.2733 -1.2709 -1.0349 -1.0298 -0.9007 -0.8798 -0.6314 -0.6116 -0.2926 -0.2534 0.0882 0.0903 0.4958 0.5027 0.5616 0.6234 0.7281 0.7367 0.9286 0.9320 1.1763 1.1964 1.4753 1.5163 1.8546 1.8586 1.9697 1.9953 2.1636 2.1757 2.2338 2.2831 2.5143 2.5398 2.6754 2.6825 2.9136 2.9200 3.0495 3.0735 3.3497 3.3503 3.6672 3.6691 3.8196 3.8275 4.0995 4.1058 4.2007 4.2090 5.1908 5.1945 5.3031 5.3143 5.4056 5.4148 5.7262 5.7341 5.8605 5.8742 5.9870 5.9898 9.4441 9.4531 9.9332 9.9498 12.0516 12.0756 12.4031 12.4252 12.7900 12.7962 13.0621 13.0637 13.9365 13.9492 14.1605 14.1606 k = 0.5000 0.4965 0.3181 ( 5556 PWs) bands (ev): -17.5575 -17.5575 -17.5278 -17.5277 -14.2261 -14.2259 -14.1157 -14.1151 -13.3908 -13.3907 -13.3439 -13.3437 -11.2589 -11.2584 -11.2526 -11.2514 -3.4575 -3.4497 -3.0567 -3.0529 -1.3499 -1.3410 -1.2752 -1.2718 -1.0402 -1.0329 -0.9117 -0.8814 -0.6328 -0.6040 -0.3020 -0.2455 0.0888 0.0928 0.4938 0.4999 0.5559 0.6402 0.7261 0.7379 0.9346 0.9413 1.1773 1.2053 1.4727 1.5343 1.8466 1.8566 1.9649 1.9993 2.1611 2.1677 2.2394 2.3037 2.5178 2.5572 2.6718 2.6818 2.9002 2.9044 3.0578 3.0881 3.3510 3.3523 3.6678 3.6705 3.8163 3.8277 4.0989 4.1081 4.2006 4.2129 5.1924 5.1978 5.2989 5.3155 5.4021 5.4153 5.7227 5.7338 5.8556 5.8753 5.9848 5.9891 9.4290 9.4421 9.9096 9.9337 12.0507 12.0857 12.3994 12.4316 12.7882 12.7972 13.0616 13.0639 13.9336 13.9522 14.1596 14.1599 k = 0.5000 0.4965 0.3030 ( 5552 PWs) bands (ev): -17.5574 -17.5573 -17.5281 -17.5281 -14.2255 -14.2252 -14.1169 -14.1162 -13.3902 -13.3901 -13.3441 -13.3439 -11.2579 -11.2572 -11.2518 -11.2502 -3.4607 -3.4505 -3.0665 -3.0616 -1.3538 -1.3417 -1.2776 -1.2733 -1.0467 -1.0375 -0.9244 -0.8857 -0.6326 -0.5957 -0.3108 -0.2396 0.0901 0.0971 0.4925 0.4947 0.5550 0.6547 0.7244 0.7383 0.9427 0.9542 1.1811 1.2151 1.4732 1.5552 1.8349 1.8545 1.9624 2.0019 2.1549 2.1599 2.2514 2.3265 2.5237 2.5779 2.6688 2.6808 2.8852 2.8859 3.0692 3.1028 3.3527 3.3553 3.6688 3.6722 3.8128 3.8272 4.0985 4.1103 4.2012 4.2175 5.1949 5.2016 5.2943 5.3159 5.3987 5.4150 5.7184 5.7321 5.8506 5.8757 5.9820 5.9877 9.4094 9.4262 9.8792 9.9102 12.0518 12.0968 12.3964 12.4375 12.7869 12.7982 13.0611 13.0639 13.9311 13.9551 14.1583 14.1589 k = 0.5000 0.4965 0.2878 ( 5544 PWs) bands (ev): -17.5572 -17.5572 -17.5286 -17.5285 -14.2248 -14.2243 -14.1184 -14.1175 -13.3894 -13.3894 -13.3443 -13.3441 -11.2566 -11.2558 -11.2507 -11.2487 -3.4643 -3.4518 -3.0785 -3.0727 -1.3584 -1.3427 -1.2806 -1.2755 -1.0543 -1.0437 -0.9385 -0.8927 -0.6309 -0.5871 -0.3188 -0.2360 0.0925 0.1036 0.4891 0.4922 0.5571 0.6662 0.7230 0.7379 0.9525 0.9703 1.1878 1.2253 1.4769 1.5787 1.8202 1.8526 1.9620 2.0031 2.1399 2.1595 2.2664 2.3516 2.5305 2.5995 2.6685 2.6806 2.8646 2.8715 3.0821 3.1168 3.3547 3.3594 3.6702 3.6740 3.8093 3.8262 4.0981 4.1121 4.2025 4.2226 5.1984 5.2058 5.2893 5.3158 5.3953 5.4138 5.7133 5.7285 5.8462 5.8753 5.9786 5.9858 9.3858 9.4057 9.8425 9.8797 12.0546 12.1083 12.3935 12.4422 12.7864 12.7997 13.0606 13.0637 13.9295 13.9583 14.1567 14.1576 k = 0.5000 0.4965 0.2727 ( 5566 PWs) bands (ev): -17.5570 -17.5570 -17.5291 -17.5290 -14.2239 -14.2233 -14.1202 -14.1191 -13.3885 -13.3885 -13.3446 -13.3443 -11.2550 -11.2540 -11.2493 -11.2470 -3.4682 -3.4535 -3.0926 -3.0861 -1.3635 -1.3441 -1.2841 -1.2783 -1.0627 -1.0510 -0.9535 -0.9020 -0.6277 -0.5783 -0.3263 -0.2352 0.0966 0.1128 0.4843 0.4929 0.5605 0.6745 0.7217 0.7368 0.9635 0.9886 1.1974 1.2356 1.4841 1.6040 1.8036 1.8508 1.9633 2.0030 2.1239 2.1597 2.2826 2.3790 2.5361 2.6165 2.6752 2.6830 2.8451 2.8579 3.0959 3.1298 3.3572 3.3647 3.6720 3.6760 3.8060 3.8248 4.0977 4.1131 4.2045 4.2281 5.2025 5.2099 5.2839 5.3151 5.3923 5.4117 5.7072 5.7224 5.8428 5.8745 5.9747 5.9834 9.3587 9.3811 9.8005 9.8428 12.0587 12.1198 12.3905 12.4448 12.7874 12.8018 13.0600 13.0632 13.9287 13.9617 14.1548 14.1561 k = 0.5000 0.4965 0.2575 ( 5564 PWs) bands (ev): -17.5568 -17.5567 -17.5297 -17.5295 -14.2227 -14.2221 -14.1223 -14.1210 -13.3875 -13.3874 -13.3450 -13.3446 -11.2532 -11.2521 -11.2477 -11.2450 -3.4723 -3.4557 -3.1086 -3.1016 -1.3690 -1.3458 -1.2883 -1.2818 -1.0716 -1.0593 -0.9691 -0.9135 -0.6232 -0.5695 -0.3332 -0.2371 0.1028 0.1249 0.4811 0.4945 0.5644 0.6801 0.7204 0.7350 0.9755 1.0081 1.2093 1.2459 1.4949 1.6296 1.7868 1.8494 1.9655 2.0016 2.1078 2.1602 2.2992 2.4088 2.5383 2.6240 2.6897 2.6902 2.8304 2.8459 3.1103 3.1418 3.3601 3.3713 3.6741 3.6779 3.8032 3.8231 4.0970 4.1131 4.2069 4.2338 5.2071 5.2133 5.2782 5.3144 5.3899 5.4088 5.6998 5.7136 5.8409 5.8733 5.9704 5.9805 9.3289 9.3530 9.7540 9.8006 12.0639 12.1308 12.3869 12.4449 12.7903 12.8049 13.0592 13.0623 13.9292 13.9656 14.1527 14.1545 k = 0.5000 0.4965 0.2424 ( 5550 PWs) bands (ev): -17.5565 -17.5565 -17.5304 -17.5302 -14.2215 -14.2207 -14.1246 -14.1232 -13.3863 -13.3862 -13.3454 -13.3449 -11.2512 -11.2499 -11.2460 -11.2429 -3.4764 -3.4580 -3.1262 -3.1190 -1.3749 -1.3476 -1.2932 -1.2857 -1.0810 -1.0683 -0.9849 -0.9268 -0.6173 -0.5609 -0.3397 -0.2416 0.1114 0.1397 0.4796 0.4971 0.5680 0.6834 0.7187 0.7325 0.9882 1.0280 1.2229 1.2560 1.5095 1.6531 1.7722 1.8484 1.9685 1.9986 2.0922 2.1606 2.3153 2.4407 2.5356 2.6253 2.7011 2.7036 2.8277 2.8367 3.1255 3.1527 3.3636 3.3792 3.6766 3.6798 3.8011 3.8212 4.0960 4.1119 4.2097 4.2395 5.2119 5.2152 5.2723 5.3142 5.3881 5.4052 5.6912 5.7020 5.8405 5.8720 5.9656 5.9772 9.2969 9.3221 9.7037 9.7537 12.0698 12.1411 12.3823 12.4420 12.7954 12.8093 13.0584 13.0611 13.9311 13.9700 14.1503 14.1527 k = 0.5000 0.4965 0.2272 ( 5544 PWs) bands (ev): -17.5562 -17.5561 -17.5311 -17.5309 -14.2200 -14.2192 -14.1272 -14.1256 -13.3850 -13.3849 -13.3458 -13.3453 -11.2490 -11.2475 -11.2440 -11.2407 -3.4805 -3.4606 -3.1452 -3.1381 -1.3809 -1.3496 -1.2989 -1.2902 -1.0904 -1.0777 -1.0006 -0.9414 -0.6104 -0.5525 -0.3461 -0.2486 0.1226 0.1571 0.4797 0.5005 0.5711 0.6847 0.7168 0.7294 1.0012 1.0474 1.2373 1.2657 1.5279 1.6697 1.7644 1.8478 1.9719 1.9932 2.0781 2.1610 2.3303 2.4740 2.5287 2.6248 2.7044 2.7147 2.8328 2.8433 3.1418 3.1627 3.3677 3.3885 3.6795 3.6814 3.7998 3.8193 4.0947 4.1093 4.2124 4.2449 5.2150 5.2165 5.2661 5.3150 5.3869 5.4009 5.6811 5.6879 5.8416 5.8707 5.9605 5.9736 9.2636 9.2891 9.6507 9.7032 12.0761 12.1503 12.3765 12.4358 12.8028 12.8150 13.0574 13.0594 13.9344 13.9752 14.1477 14.1508 k = 0.5000 0.4965 0.2121 ( 5548 PWs) bands (ev): -17.5558 -17.5558 -17.5319 -17.5317 -14.2184 -14.2175 -14.1299 -14.1282 -13.3836 -13.3836 -13.3463 -13.3458 -11.2467 -11.2450 -11.2420 -11.2384 -3.4843 -3.4632 -3.1653 -3.1584 -1.3871 -1.3517 -1.3054 -1.2951 -1.0996 -1.0871 -1.0158 -0.9571 -0.6026 -0.5444 -0.3524 -0.2575 0.1364 0.1767 0.4813 0.5047 0.5734 0.6844 0.7145 0.7258 1.0145 1.0662 1.2515 1.2750 1.5498 1.6734 1.7686 1.8477 1.9757 1.9849 2.0665 2.1611 2.3438 2.5035 2.5236 2.6237 2.6950 2.7259 2.8379 2.8731 3.1600 3.1721 3.3724 3.3990 3.6826 3.6828 3.7995 3.8175 4.0928 4.1053 4.2147 4.2498 5.2124 5.2204 5.2599 5.3170 5.3866 5.3962 5.6695 5.6717 5.8439 5.8697 5.9550 5.9697 9.2296 9.2547 9.5956 9.6499 12.0826 12.1584 12.3693 12.4264 12.8124 12.8223 13.0562 13.0573 13.9393 13.9810 14.1450 14.1487 k = 0.5000 0.4965 0.1969 ( 5544 PWs) bands (ev): -17.5554 -17.5554 -17.5328 -17.5326 -14.2166 -14.2156 -14.1329 -14.1311 -13.3821 -13.3821 -13.3469 -13.3464 -11.2443 -11.2424 -11.2399 -11.2360 -3.4879 -3.4657 -3.1862 -3.1799 -1.3932 -1.3537 -1.3127 -1.3003 -1.1086 -1.0962 -1.0304 -0.9734 -0.5940 -0.5366 -0.3587 -0.2680 0.1530 0.1981 0.4843 0.5097 0.5748 0.6825 0.7122 0.7216 1.0277 1.0843 1.2647 1.2836 1.5742 1.6656 1.7831 1.8483 1.9731 1.9799 2.0580 2.1607 2.3549 2.5006 2.5496 2.6202 2.6853 2.7307 2.8548 2.9083 3.1812 3.1813 3.3780 3.4108 3.6840 3.6861 3.8003 3.8158 4.0905 4.0998 4.2162 4.2539 5.2074 5.2227 5.2541 5.3199 5.3872 5.3915 5.6537 5.6564 5.8472 5.8689 5.9493 5.9656 9.1956 9.2198 9.5395 9.5947 12.0890 12.1653 12.3606 12.4142 12.8239 12.8310 13.0548 13.0548 13.9455 13.9876 14.1420 14.1466 k = 0.5000 0.4965 0.1818 ( 5546 PWs) bands (ev): -17.5550 -17.5549 -17.5337 -17.5335 -14.2146 -14.2135 -14.1360 -14.1341 -13.3805 -13.3805 -13.3475 -13.3470 -11.2419 -11.2398 -11.2377 -11.2336 -3.4909 -3.4680 -3.2078 -3.2022 -1.3991 -1.3558 -1.3208 -1.3059 -1.1170 -1.1049 -1.0441 -0.9901 -0.5846 -0.5291 -0.3652 -0.2797 0.1719 0.2209 0.4885 0.5151 0.5752 0.6792 0.7099 0.7169 1.0409 1.1017 1.2765 1.2911 1.6001 1.6530 1.8006 1.8497 1.9583 1.9849 2.0524 2.1599 2.3634 2.4881 2.5834 2.6104 2.6837 2.7308 2.8815 2.9428 3.1905 3.2069 3.3846 3.4238 3.6848 3.6900 3.8020 3.8144 4.0877 4.0930 4.2166 4.2570 5.2004 5.2223 5.2492 5.3227 5.3872 5.3891 5.6345 5.6422 5.8513 5.8685 5.9435 5.9613 9.1625 9.1849 9.4829 9.5384 12.0953 12.1710 12.3506 12.3995 12.8368 12.8409 13.0518 13.0530 13.9530 13.9948 14.1389 14.1444 k = 0.5000 0.4965 0.1666 ( 5552 PWs) bands (ev): -17.5545 -17.5545 -17.5346 -17.5344 -14.2125 -14.2113 -14.1393 -14.1373 -13.3789 -13.3789 -13.3482 -13.3476 -11.2394 -11.2371 -11.2355 -11.2313 -3.4933 -3.4699 -3.2296 -3.2251 -1.4047 -1.3577 -1.3297 -1.3115 -1.1247 -1.1128 -1.0569 -1.0068 -0.5748 -0.5218 -0.3718 -0.2923 0.1930 0.2447 0.4936 0.5210 0.5746 0.6746 0.7075 0.7116 1.0540 1.1187 1.2867 1.2972 1.6260 1.6399 1.8166 1.8523 1.9414 1.9908 2.0492 2.1583 2.3690 2.4755 2.5937 2.6131 2.6929 2.7319 2.9136 2.9729 3.2009 3.2377 3.3924 3.4377 3.6854 3.6942 3.8045 3.8132 4.0845 4.0848 4.2155 4.2589 5.1921 5.2187 5.2452 5.3243 5.3838 5.3927 5.6147 5.6270 5.8559 5.8684 5.9376 5.9570 9.1308 9.1510 9.4267 9.4820 12.1015 12.1756 12.3394 12.3829 12.8508 12.8519 13.0484 13.0509 13.9617 14.0027 14.1356 14.1420 k = 0.5000 0.4965 0.1515 ( 5560 PWs) bands (ev): -17.5539 -17.5539 -17.5356 -17.5354 -14.2102 -14.2089 -14.1427 -14.1407 -13.3772 -13.3772 -13.3490 -13.3484 -11.2369 -11.2344 -11.2334 -11.2290 -3.4949 -3.4713 -3.2515 -3.2481 -1.4100 -1.3596 -1.3391 -1.3173 -1.1317 -1.1198 -1.0688 -1.0232 -0.5644 -0.5148 -0.3785 -0.3056 0.2160 0.2692 0.4994 0.5271 0.5730 0.6690 0.7051 0.7057 1.0669 1.1354 1.2952 1.3014 1.6287 1.6504 1.8286 1.8561 1.9238 1.9979 2.0475 2.1560 2.3721 2.4645 2.5732 2.6320 2.7104 2.7416 2.9470 2.9970 3.2135 3.2736 3.4017 3.4523 3.6858 3.6991 3.8077 3.8125 4.0753 4.0812 4.2126 4.2593 5.1834 5.2123 5.2412 5.3236 5.3818 5.3983 5.5946 5.6114 5.8609 5.8687 5.9317 5.9526 9.1012 9.1187 9.3716 9.4260 12.1075 12.1793 12.3273 12.3649 12.8637 12.8653 13.0445 13.0484 13.9714 14.0111 14.1321 14.1395 k = 0.5000 0.4965 0.1363 ( 5570 PWs) bands (ev): -17.5533 -17.5533 -17.5367 -17.5365 -14.2077 -14.2064 -14.1463 -14.1442 -13.3755 -13.3755 -13.3498 -13.3492 -11.2346 -11.2319 -11.2313 -11.2268 -3.4956 -3.4720 -3.2731 -3.2712 -1.4147 -1.3613 -1.3489 -1.3230 -1.1376 -1.1258 -1.0797 -1.0392 -0.5536 -0.5079 -0.3854 -0.3193 0.2404 0.2940 0.5055 0.5330 0.5706 0.6628 0.6991 0.7024 1.0798 1.1518 1.3020 1.3028 1.6207 1.6720 1.8356 1.8600 1.9080 2.0062 2.0465 2.1527 2.3730 2.4559 2.5514 2.6362 2.7337 2.7638 2.9786 3.0144 3.2296 3.3129 3.4129 3.4672 3.6862 3.7047 3.8112 3.8122 4.0649 4.0780 4.2076 4.2580 5.1748 5.2042 5.2359 5.3197 5.3816 5.4058 5.5748 5.5956 5.8661 5.8693 5.9259 5.9483 9.0743 9.0886 9.3182 9.3714 12.1135 12.1823 12.3145 12.3460 12.8760 12.8802 13.0402 13.0455 13.9817 14.0199 14.1283 14.1368 k = 0.5000 0.4965 0.1211 ( 5580 PWs) bands (ev): -17.5527 -17.5527 -17.5377 -17.5375 -14.2051 -14.2037 -14.1499 -14.1477 -13.3738 -13.3737 -13.3507 -13.3501 -11.2323 -11.2294 -11.2294 -11.2247 -3.4952 -3.4719 -3.2944 -3.2939 -1.4188 -1.3627 -1.3589 -1.3287 -1.1425 -1.1308 -1.0896 -1.0545 -0.5425 -0.5012 -0.3923 -0.3332 0.2658 0.3189 0.5117 0.5384 0.5676 0.6564 0.6917 0.6992 1.0925 1.1681 1.3012 1.3072 1.6170 1.6899 1.8373 1.8592 1.8997 2.0155 2.0459 2.1484 2.3726 2.4503 2.5293 2.6300 2.7609 2.7943 3.0056 3.0260 3.2508 3.3528 3.4268 3.4819 3.6867 3.7114 3.8126 3.8142 4.0538 4.0756 4.2002 4.2549 5.1671 5.1952 5.2287 5.3127 5.3834 5.4147 5.5556 5.5804 5.8701 5.8714 5.9203 5.9440 9.0507 9.0614 9.2672 9.3186 12.1196 12.1848 12.3015 12.3266 12.8886 12.8949 13.0354 13.0421 13.9925 14.0289 14.1243 14.1338 k = 0.5000 0.4965 0.1060 ( 5576 PWs) bands (ev): -17.5521 -17.5520 -17.5388 -17.5386 -14.2024 -14.2008 -14.1536 -14.1514 -13.3721 -13.3719 -13.3517 -13.3511 -11.2302 -11.2276 -11.2271 -11.2229 -3.4937 -3.4708 -3.3162 -3.3150 -1.4222 -1.3688 -1.3639 -1.3341 -1.1463 -1.1348 -1.0986 -1.0689 -0.5310 -0.4945 -0.3993 -0.3473 0.2918 0.3437 0.5169 0.5427 0.5649 0.6503 0.6836 0.6956 1.1054 1.1843 1.2963 1.3107 1.6179 1.7038 1.8341 1.8485 1.9043 2.0255 2.0451 2.1431 2.3716 2.4480 2.5077 2.6185 2.7905 2.8276 3.0260 3.0325 3.2779 3.3891 3.4446 3.4959 3.6877 3.7196 3.8135 3.8158 4.0425 4.0748 4.1902 4.2498 5.1609 5.1860 5.2196 5.3025 5.3870 5.4247 5.5373 5.5660 5.8712 5.8768 5.9148 5.9398 9.0310 9.0377 9.2192 9.2684 12.1260 12.1871 12.2884 12.3072 12.9012 12.9094 13.0303 13.0381 14.0037 14.0380 14.1199 14.1305 k = 0.5000 0.4965 0.0908 ( 5576 PWs) bands (ev): -17.5513 -17.5513 -17.5399 -17.5397 -14.1995 -14.1979 -14.1573 -14.1551 -13.3703 -13.3702 -13.3527 -13.3522 -11.2282 -11.2260 -11.2249 -11.2213 -3.4908 -3.4686 -3.3377 -3.3347 -1.4249 -1.3784 -1.3647 -1.3393 -1.1490 -1.1377 -1.1066 -1.0824 -0.5193 -0.4879 -0.4064 -0.3614 0.3180 0.3680 0.5197 0.5452 0.5637 0.6453 0.6747 0.6914 1.1183 1.2002 1.2881 1.3124 1.6236 1.7143 1.8264 1.8330 1.9167 2.0356 2.0437 2.1370 2.3706 2.4491 2.4869 2.6044 2.8213 2.8607 3.0348 3.0391 3.3106 3.4183 3.4669 3.5083 3.6893 3.7300 3.8151 3.8151 4.0318 4.0764 4.1774 4.2424 5.1566 5.1770 5.2091 5.2896 5.3921 5.4351 5.5201 5.5527 5.8726 5.8821 5.9096 5.9357 9.0154 9.0180 9.1746 9.2212 12.1327 12.1893 12.2756 12.2880 12.9137 12.9234 13.0246 13.0336 14.0149 14.0471 14.1151 14.1269 k = 0.5000 0.4965 0.0757 ( 5578 PWs) bands (ev): -17.5506 -17.5505 -17.5409 -17.5407 -14.1965 -14.1948 -14.1611 -14.1589 -13.3686 -13.3684 -13.3539 -13.3533 -11.2265 -11.2246 -11.2230 -11.2199 -3.4865 -3.4653 -3.3583 -3.3535 -1.4266 -1.3874 -1.3653 -1.3441 -1.1504 -1.1397 -1.1137 -1.0948 -0.5073 -0.4813 -0.4134 -0.3755 0.3440 0.3917 0.5184 0.5449 0.5656 0.6420 0.6650 0.6867 1.1315 1.2159 1.2772 1.3124 1.6336 1.7222 1.8149 1.8167 1.9321 2.0414 2.0455 2.1301 2.3704 2.4533 2.4673 2.5889 2.8521 2.8921 3.0333 3.0454 3.3472 3.4409 3.4903 3.5184 3.6920 3.7427 3.8109 3.8173 4.0228 4.0813 4.1618 4.2327 5.1548 5.1687 5.1979 5.2743 5.3985 5.4455 5.5042 5.5408 5.8741 5.8872 5.9048 5.9316 9.0026 9.0045 9.1340 9.1776 12.1401 12.1919 12.2633 12.2693 12.9259 12.9368 13.0184 13.0285 14.0260 14.0560 14.1099 14.1229 k = 0.5000 0.4965 0.0605 ( 5592 PWs) bands (ev): -17.5498 -17.5497 -17.5420 -17.5418 -14.1933 -14.1915 -14.1648 -14.1627 -13.3669 -13.3667 -13.3550 -13.3545 -11.2250 -11.2235 -11.2213 -11.2188 -3.4808 -3.4607 -3.3777 -3.3710 -1.4274 -1.3959 -1.3654 -1.3485 -1.1506 -1.1408 -1.1200 -1.1061 -0.4950 -0.4748 -0.4205 -0.3895 0.3694 0.4146 0.5126 0.5412 0.5710 0.6411 0.6547 0.6814 1.1451 1.2310 1.2642 1.3104 1.6472 1.7285 1.8002 1.8012 1.9485 2.0378 2.0552 2.1227 2.3713 2.4491 2.4604 2.5728 2.8820 2.9211 3.0286 3.0461 3.3851 3.4600 3.5096 3.5255 3.6963 3.7575 3.8027 3.8195 4.0172 4.0900 4.1435 4.2208 5.1559 5.1617 5.1867 5.2574 5.4058 5.4558 5.4896 5.5300 5.8759 5.8923 5.9002 5.9275 8.9920 8.9984 9.0977 9.1381 12.1481 12.1949 12.2514 12.2517 12.9377 12.9495 13.0118 13.0228 14.0368 14.0647 14.1042 14.1184 k = 0.5000 0.4965 0.0454 ( 5600 PWs) bands (ev): -17.5489 -17.5488 -17.5431 -17.5429 -14.1901 -14.1882 -14.1686 -14.1664 -13.3652 -13.3650 -13.3563 -13.3558 -11.2237 -11.2226 -11.2199 -11.2180 -3.4735 -3.4547 -3.3959 -3.3874 -1.4272 -1.4034 -1.3650 -1.3524 -1.1496 -1.1411 -1.1254 -1.1161 -0.4826 -0.4682 -0.4275 -0.4034 0.3937 0.4365 0.5029 0.5338 0.5789 0.6427 0.6438 0.6757 1.1590 1.2455 1.2498 1.3064 1.6637 1.7341 1.7831 1.7869 1.9648 2.0327 2.0646 2.1150 2.3739 2.4325 2.4700 2.5565 2.9100 2.9473 3.0208 3.0421 3.4220 3.4774 3.5219 3.5285 3.7028 3.7731 3.7903 3.8210 4.0168 4.1024 4.1228 4.2066 5.1565 5.1600 5.1762 5.2397 5.4138 5.4658 5.4762 5.5201 5.8778 5.8960 5.8972 5.9235 8.9865 8.9975 9.0660 9.1029 12.1571 12.1985 12.2345 12.2410 12.9490 12.9615 13.0045 13.0163 14.0472 14.0731 14.0979 14.1135 k = 0.5000 0.4965 0.0302 ( 5594 PWs) bands (ev): -17.5480 -17.5479 -17.5441 -17.5440 -14.1867 -14.1848 -14.1723 -14.1702 -13.3636 -13.3633 -13.3577 -13.3572 -11.2228 -11.2220 -11.2187 -11.2175 -3.4645 -3.4472 -3.4127 -3.4023 -1.4260 -1.4100 -1.3642 -1.3558 -1.1472 -1.1405 -1.1300 -1.1249 -0.4699 -0.4615 -0.4344 -0.4171 0.4168 0.4571 0.4902 0.5232 0.5884 0.6326 0.6463 0.6696 1.1734 1.2346 1.2592 1.3005 1.6824 1.7399 1.7641 1.7743 1.9802 2.0259 2.0736 2.1071 2.3784 2.4176 2.4815 2.5402 2.9358 2.9707 3.0098 3.0343 3.4554 3.4933 3.5267 3.5267 3.7122 3.7748 3.7879 3.8205 4.0232 4.1003 4.1180 4.1904 5.1536 5.1671 5.1671 5.2221 5.4226 5.4638 5.4754 5.5110 5.8801 5.8921 5.9019 5.9194 8.9862 9.0018 9.0394 9.0724 12.1671 12.2030 12.2186 12.2312 12.9598 12.9726 12.9968 13.0092 14.0572 14.0811 14.0910 14.1080 k = 0.5000 0.4965 0.0151 ( 5594 PWs) bands (ev): -17.5471 -17.5470 -17.5451 -17.5450 -14.1832 -14.1812 -14.1760 -14.1739 -13.3620 -13.3617 -13.3591 -13.3586 -11.2221 -11.2218 -11.2179 -11.2173 -3.4540 -3.4382 -3.4281 -3.4158 -1.4236 -1.4157 -1.3629 -1.3587 -1.1436 -1.1391 -1.1338 -1.1324 -0.4570 -0.4548 -0.4413 -0.4306 0.4382 0.4751 0.4764 0.5098 0.5988 0.6212 0.6513 0.6633 1.1883 1.2191 1.2718 1.2926 1.7024 1.7439 1.7464 1.7634 1.9942 2.0172 2.0823 2.0990 2.3849 2.4046 2.4946 2.5243 2.9588 2.9911 2.9959 3.0230 3.4834 3.5071 3.5191 3.5251 3.7248 3.7575 3.8005 3.8171 4.0364 4.0773 4.1356 4.1728 5.1531 5.1600 5.1773 5.2053 5.4319 5.4524 5.4845 5.5022 5.8826 5.8886 5.9065 5.9152 8.9914 9.0115 9.0180 9.0469 12.1781 12.2039 12.2084 12.2225 12.9699 12.9830 12.9885 13.0012 14.0665 14.0835 14.0886 14.1021 k = 0.5000 0.4965-0.0001 ( 5596 PWs) bands (ev): -17.5461 -17.5461 -17.5460 -17.5460 -14.1797 -14.1797 -14.1776 -14.1776 -13.3605 -13.3605 -13.3601 -13.3601 -11.2218 -11.2218 -11.2175 -11.2175 -3.4418 -3.4418 -3.4278 -3.4278 -1.4202 -1.4202 -1.3611 -1.3611 -1.1387 -1.1387 -1.1368 -1.1368 -0.4481 -0.4481 -0.4439 -0.4439 0.4577 0.4577 0.4941 0.4941 0.6098 0.6098 0.6571 0.6571 1.2036 1.2036 1.2830 1.2830 1.7231 1.7231 1.7542 1.7542 2.0066 2.0066 2.0907 2.0907 2.3937 2.3937 2.5090 2.5090 2.9788 2.9788 3.0085 3.0085 3.5048 3.5048 3.5181 3.5181 3.7403 3.7403 3.8104 3.8104 4.0552 4.0552 4.1542 4.1542 5.1552 5.1552 5.1902 5.1902 5.4418 5.4418 5.4934 5.4934 5.8854 5.8854 5.9109 5.9109 9.0020 9.0020 9.0265 9.0265 12.1904 12.1904 12.2149 12.2149 12.9795 12.9795 12.9925 12.9925 14.0753 14.0753 14.0956 14.0956 k = 0.5000 0.4965-0.0001 ( 5596 PWs) bands (ev): -17.5461 -17.5461 -17.5460 -17.5460 -14.1797 -14.1797 -14.1776 -14.1776 -13.3605 -13.3605 -13.3601 -13.3601 -11.2218 -11.2218 -11.2175 -11.2175 -3.4418 -3.4418 -3.4278 -3.4278 -1.4202 -1.4202 -1.3611 -1.3611 -1.1387 -1.1387 -1.1368 -1.1368 -0.4481 -0.4481 -0.4439 -0.4439 0.4577 0.4577 0.4941 0.4941 0.6098 0.6098 0.6571 0.6571 1.2036 1.2036 1.2830 1.2830 1.7231 1.7231 1.7542 1.7542 2.0066 2.0066 2.0907 2.0907 2.3937 2.3937 2.5090 2.5090 2.9788 2.9788 3.0085 3.0085 3.5048 3.5048 3.5181 3.5181 3.7403 3.7403 3.8104 3.8104 4.0552 4.0552 4.1542 4.1542 5.1552 5.1552 5.1902 5.1902 5.4418 5.4418 5.4934 5.4934 5.8854 5.8854 5.9109 5.9109 9.0020 9.0020 9.0265 9.0265 12.1904 12.1904 12.2149 12.2149 12.9795 12.9795 12.9925 12.9925 14.0753 14.0753 14.0956 14.0956 k = 0.4848 0.4965-0.0001 ( 5592 PWs) bands (ev): -17.5462 -17.5462 -17.5460 -17.5460 -14.1796 -14.1796 -14.1775 -14.1775 -13.3605 -13.3605 -13.3600 -13.3600 -11.2218 -11.2218 -11.2174 -11.2174 -3.4420 -3.4420 -3.4279 -3.4279 -1.4202 -1.4202 -1.3608 -1.3608 -1.1400 -1.1400 -1.1350 -1.1350 -0.4482 -0.4482 -0.4436 -0.4436 0.4565 0.4565 0.4931 0.4931 0.6099 0.6099 0.6574 0.6574 1.2032 1.2032 1.2832 1.2832 1.7201 1.7201 1.7573 1.7573 2.0060 2.0060 2.0907 2.0907 2.3931 2.3931 2.5108 2.5108 2.9784 2.9784 3.0095 3.0095 3.5035 3.5035 3.5187 3.5187 3.7419 3.7419 3.8112 3.8112 4.0547 4.0547 4.1540 4.1540 5.1537 5.1537 5.1891 5.1891 5.4429 5.4429 5.4946 5.4946 5.8846 5.8846 5.9107 5.9107 9.0026 9.0026 9.0272 9.0272 12.1899 12.1899 12.2146 12.2146 12.9793 12.9793 12.9924 12.9924 14.0757 14.0757 14.0960 14.0960 k = 0.4697 0.4965-0.0001 ( 5592 PWs) bands (ev): -17.5464 -17.5464 -17.5462 -17.5462 -14.1794 -14.1794 -14.1774 -14.1774 -13.3604 -13.3604 -13.3598 -13.3598 -11.2217 -11.2217 -11.2174 -11.2174 -3.4426 -3.4426 -3.4284 -3.4284 -1.4201 -1.4201 -1.3600 -1.3600 -1.1414 -1.1414 -1.1319 -1.1319 -0.4486 -0.4486 -0.4428 -0.4428 0.4531 0.4531 0.4900 0.4900 0.6103 0.6103 0.6580 0.6580 1.2021 1.2021 1.2839 1.2839 1.7134 1.7134 1.7643 1.7643 2.0041 2.0041 2.0906 2.0906 2.3914 2.3914 2.5158 2.5158 2.9774 2.9774 3.0123 3.0123 3.5001 3.5001 3.5200 3.5200 3.7467 3.7467 3.8136 3.8136 4.0532 4.0532 4.1535 4.1535 5.1492 5.1492 5.1858 5.1858 5.4462 5.4462 5.4979 5.4979 5.8820 5.8820 5.9099 5.9099 9.0047 9.0047 9.0292 9.0292 12.1885 12.1885 12.2136 12.2136 12.9786 12.9786 12.9923 12.9923 14.0767 14.0767 14.0974 14.0974 k = 0.4545 0.4965-0.0001 ( 5594 PWs) bands (ev): -17.5468 -17.5468 -17.5465 -17.5465 -14.1791 -14.1791 -14.1770 -14.1770 -13.3603 -13.3603 -13.3594 -13.3594 -11.2216 -11.2216 -11.2173 -11.2173 -3.4435 -3.4435 -3.4293 -3.4293 -1.4200 -1.4200 -1.3587 -1.3587 -1.1423 -1.1423 -1.1282 -1.1282 -0.4490 -0.4490 -0.4417 -0.4417 0.4477 0.4477 0.4846 0.4846 0.6114 0.6114 0.6587 0.6587 1.2004 1.2004 1.2849 1.2849 1.7054 1.7054 1.7727 1.7727 2.0011 2.0011 2.0904 2.0904 2.3889 2.3889 2.5236 2.5236 2.9761 2.9761 3.0163 3.0163 3.4955 3.4955 3.5217 3.5217 3.7544 3.7544 3.8175 3.8175 4.0507 4.0507 4.1526 4.1526 5.1420 5.1420 5.1807 5.1807 5.4513 5.4513 5.5033 5.5033 5.8778 5.8778 5.9085 5.9085 9.0080 9.0080 9.0325 9.0325 12.1861 12.1861 12.2120 12.2120 12.9775 12.9775 12.9920 12.9920 14.0783 14.0783 14.0997 14.0997 k = 0.4394 0.4965-0.0001 ( 5598 PWs) bands (ev): -17.5473 -17.5473 -17.5469 -17.5469 -14.1787 -14.1787 -14.1766 -14.1766 -13.3601 -13.3601 -13.3590 -13.3590 -11.2214 -11.2214 -11.2171 -11.2171 -3.4448 -3.4448 -3.4304 -3.4304 -1.4199 -1.4199 -1.3570 -1.3570 -1.1426 -1.1426 -1.1240 -1.1240 -0.4494 -0.4494 -0.4405 -0.4405 0.4406 0.4406 0.4772 0.4772 0.6133 0.6133 0.6592 0.6592 1.1982 1.1982 1.2863 1.2863 1.6970 1.6970 1.7813 1.7813 1.9973 1.9973 2.0900 2.0900 2.3860 2.3860 2.5335 2.5335 2.9752 2.9752 3.0210 3.0210 3.4901 3.4901 3.5237 3.5237 3.7644 3.7644 3.8228 3.8228 4.0473 4.0473 4.1514 4.1514 5.1325 5.1325 5.1738 5.1738 5.4581 5.4581 5.5104 5.5104 5.8723 5.8723 5.9063 5.9063 9.0126 9.0126 9.0371 9.0371 12.1828 12.1828 12.2095 12.2095 12.9762 12.9762 12.9916 12.9916 14.0807 14.0807 14.1028 14.1028 k = 0.4242 0.4965-0.0001 ( 5594 PWs) bands (ev): -17.5479 -17.5479 -17.5474 -17.5474 -14.1781 -14.1781 -14.1760 -14.1760 -13.3597 -13.3597 -13.3584 -13.3584 -11.2212 -11.2212 -11.2169 -11.2169 -3.4465 -3.4465 -3.4319 -3.4319 -1.4196 -1.4196 -1.3549 -1.3549 -1.1422 -1.1422 -1.1194 -1.1194 -0.4498 -0.4498 -0.4392 -0.4392 0.4320 0.4320 0.4681 0.4681 0.6160 0.6160 0.6593 0.6593 1.1955 1.1955 1.2879 1.2879 1.6887 1.6887 1.7895 1.7895 1.9928 1.9928 2.0892 2.0892 2.3831 2.3831 2.5450 2.5450 2.9748 2.9748 3.0262 3.0262 3.4846 3.4846 3.5259 3.5259 3.7763 3.7763 3.8295 3.8295 4.0431 4.0431 4.1499 4.1499 5.1210 5.1210 5.1656 5.1656 5.4662 5.4662 5.5188 5.5188 5.8656 5.8656 5.9034 5.9034 9.0185 9.0185 9.0429 9.0429 12.1784 12.1784 12.2063 12.2063 12.9747 12.9747 12.9913 12.9913 14.0837 14.0837 14.1068 14.1068 k = 0.4091 0.4965-0.0001 ( 5598 PWs) bands (ev): -17.5486 -17.5486 -17.5480 -17.5480 -14.1774 -14.1774 -14.1754 -14.1754 -13.3593 -13.3593 -13.3578 -13.3578 -11.2209 -11.2209 -11.2167 -11.2167 -3.4485 -3.4485 -3.4337 -3.4337 -1.4193 -1.4193 -1.3525 -1.3525 -1.1413 -1.1413 -1.1142 -1.1142 -0.4502 -0.4502 -0.4379 -0.4379 0.4218 0.4218 0.4580 0.4580 0.6192 0.6192 0.6591 0.6591 1.1925 1.1925 1.2898 1.2898 1.6805 1.6805 1.7970 1.7970 1.9878 1.9878 2.0881 2.0881 2.3802 2.3802 2.5574 2.5574 2.9750 2.9750 3.0316 3.0316 3.4793 3.4793 3.5285 3.5285 3.7896 3.7896 3.8374 3.8374 4.0384 4.0384 4.1483 4.1483 5.1082 5.1082 5.1564 5.1564 5.4752 5.4752 5.5283 5.5283 5.8579 5.8579 5.8996 5.8996 9.0255 9.0255 9.0499 9.0499 12.1731 12.1731 12.2022 12.2022 12.9732 12.9732 12.9909 12.9909 14.0874 14.0874 14.1115 14.1115 k = 0.3939 0.4965-0.0001 ( 5590 PWs) bands (ev): -17.5494 -17.5494 -17.5488 -17.5488 -14.1767 -14.1767 -14.1746 -14.1746 -13.3588 -13.3588 -13.3571 -13.3571 -11.2206 -11.2206 -11.2165 -11.2165 -3.4508 -3.4508 -3.4357 -3.4357 -1.4188 -1.4188 -1.3499 -1.3499 -1.1397 -1.1397 -1.1087 -1.1087 -0.4506 -0.4506 -0.4368 -0.4368 0.4102 0.4102 0.4479 0.4479 0.6225 0.6225 0.6588 0.6588 1.1893 1.1893 1.2917 1.2917 1.6724 1.6724 1.8035 1.8035 1.9828 1.9828 2.0865 2.0865 2.3776 2.3776 2.5701 2.5701 2.9761 2.9761 3.0369 3.0369 3.4746 3.4746 3.5315 3.5315 3.8037 3.8037 3.8464 3.8464 4.0332 4.0332 4.1467 4.1467 5.0943 5.0943 5.1464 5.1464 5.4848 5.4848 5.5385 5.5385 5.8493 5.8493 5.8950 5.8950 9.0335 9.0335 9.0579 9.0579 12.1667 12.1667 12.1970 12.1970 12.9718 12.9718 12.9907 12.9907 14.0917 14.0917 14.1171 14.1171 k = 0.3788 0.4965-0.0001 ( 5586 PWs) bands (ev): -17.5503 -17.5503 -17.5496 -17.5496 -14.1758 -14.1758 -14.1737 -14.1737 -13.3582 -13.3582 -13.3563 -13.3563 -11.2203 -11.2203 -11.2162 -11.2162 -3.4535 -3.4535 -3.4381 -3.4381 -1.4181 -1.4181 -1.3472 -1.3472 -1.1375 -1.1375 -1.1027 -1.1027 -0.4511 -0.4511 -0.4358 -0.4358 0.3972 0.3972 0.4381 0.4381 0.6250 0.6250 0.6589 0.6589 1.1860 1.1860 1.2937 1.2937 1.6643 1.6643 1.8088 1.8088 1.9778 1.9778 2.0843 2.0843 2.3751 2.3751 2.5827 2.5827 2.9780 2.9780 3.0422 3.0422 3.4706 3.4706 3.5350 3.5350 3.8180 3.8180 3.8566 3.8566 4.0277 4.0277 4.1454 4.1454 5.0797 5.0797 5.1359 5.1359 5.4949 5.4949 5.5491 5.5491 5.8400 5.8400 5.8897 5.8897 9.0426 9.0426 9.0669 9.0669 12.1592 12.1592 12.1908 12.1908 12.9706 12.9706 12.9907 12.9907 14.0968 14.0968 14.1233 14.1233 k = 0.3636 0.4965-0.0001 ( 5582 PWs) bands (ev): -17.5514 -17.5514 -17.5506 -17.5506 -14.1749 -14.1749 -14.1728 -14.1728 -13.3575 -13.3575 -13.3554 -13.3554 -11.2199 -11.2199 -11.2159 -11.2159 -3.4564 -3.4564 -3.4408 -3.4408 -1.4173 -1.4173 -1.3444 -1.3444 -1.1346 -1.1346 -1.0964 -1.0964 -0.4518 -0.4518 -0.4351 -0.4351 0.3833 0.3833 0.4292 0.4292 0.6262 0.6262 0.6601 0.6601 1.1828 1.1828 1.2956 1.2956 1.6561 1.6561 1.8130 1.8130 1.9730 1.9730 2.0815 2.0815 2.3726 2.3726 2.5947 2.5947 2.9808 2.9808 3.0472 3.0472 3.4678 3.4678 3.5391 3.5391 3.8318 3.8318 3.8681 3.8681 4.0222 4.0222 4.1444 4.1444 5.0648 5.0648 5.1251 5.1251 5.5052 5.5052 5.5599 5.5599 5.8302 5.8302 5.8837 5.8837 9.0525 9.0525 9.0767 9.0767 12.1506 12.1506 12.1835 12.1835 12.9697 12.9697 12.9911 12.9911 14.1024 14.1024 14.1302 14.1302 k = 0.3485 0.4965-0.0001 ( 5574 PWs) bands (ev): -17.5524 -17.5524 -17.5516 -17.5516 -14.1738 -14.1738 -14.1717 -14.1717 -13.3568 -13.3568 -13.3545 -13.3545 -11.2195 -11.2195 -11.2155 -11.2155 -3.4596 -3.4596 -3.4436 -3.4436 -1.4163 -1.4163 -1.3416 -1.3416 -1.1311 -1.1311 -1.0897 -1.0897 -0.4528 -0.4528 -0.4349 -0.4349 0.3690 0.3690 0.4213 0.4213 0.6258 0.6258 0.6625 0.6625 1.1797 1.1797 1.2975 1.2975 1.6477 1.6477 1.8158 1.8158 1.9685 1.9685 2.0782 2.0782 2.3701 2.3701 2.6056 2.6056 2.9843 2.9843 3.0521 3.0521 3.4661 3.4661 3.5435 3.5435 3.8445 3.8445 3.8809 3.8809 4.0167 4.0167 4.1441 4.1441 5.0498 5.0498 5.1141 5.1141 5.5155 5.5155 5.5707 5.5707 5.8199 5.8199 5.8771 5.8771 9.0632 9.0632 9.0873 9.0873 12.1409 12.1409 12.1749 12.1749 12.9694 12.9694 12.9918 12.9918 14.1087 14.1087 14.1378 14.1378 k = 0.3333 0.4965-0.0001 ( 5578 PWs) bands (ev): -17.5536 -17.5536 -17.5527 -17.5527 -14.1728 -14.1728 -14.1707 -14.1707 -13.3559 -13.3559 -13.3535 -13.3535 -11.2190 -11.2190 -11.2152 -11.2152 -3.4631 -3.4631 -3.4468 -3.4468 -1.4152 -1.4152 -1.3389 -1.3389 -1.1270 -1.1270 -1.0828 -1.0828 -0.4541 -0.4541 -0.4351 -0.4351 0.3548 0.3548 0.4142 0.4142 0.6240 0.6240 0.6659 0.6659 1.1768 1.1768 1.2992 1.2992 1.6390 1.6390 1.8173 1.8173 1.9645 1.9645 2.0743 2.0743 2.3674 2.3674 2.6152 2.6152 2.9887 2.9887 3.0567 3.0567 3.4657 3.4657 3.5484 3.5484 3.8556 3.8556 3.8951 3.8951 4.0115 4.0115 4.1449 4.1449 5.0350 5.0350 5.1032 5.1032 5.5258 5.5258 5.5813 5.5813 5.8092 5.8092 5.8700 5.8700 9.0746 9.0746 9.0985 9.0985 12.1301 12.1301 12.1652 12.1652 12.9696 12.9696 12.9931 12.9931 14.1156 14.1156 14.1458 14.1458 k = 0.3182 0.4965-0.0001 ( 5568 PWs) bands (ev): -17.5548 -17.5548 -17.5538 -17.5538 -14.1716 -14.1716 -14.1695 -14.1695 -13.3550 -13.3550 -13.3524 -13.3524 -11.2185 -11.2185 -11.2148 -11.2148 -3.4667 -3.4667 -3.4501 -3.4501 -1.4139 -1.4139 -1.3363 -1.3363 -1.1222 -1.1222 -1.0756 -1.0756 -0.4558 -0.4558 -0.4360 -0.4360 0.3414 0.3414 0.4081 0.4081 0.6214 0.6214 0.6700 0.6700 1.1744 1.1744 1.3007 1.3007 1.6300 1.6300 1.8174 1.8174 1.9611 1.9611 2.0701 2.0701 2.3641 2.3641 2.6231 2.6231 2.9938 2.9938 3.0612 3.0612 3.4665 3.4665 3.5535 3.5535 3.8650 3.8650 3.9103 3.9103 4.0066 4.0066 4.1471 4.1471 5.0205 5.0205 5.0924 5.0924 5.5359 5.5359 5.5916 5.5916 5.7984 5.7984 5.8626 5.8626 9.0865 9.0865 9.1103 9.1103 12.1181 12.1181 12.1542 12.1542 12.9706 12.9706 12.9950 12.9950 14.1231 14.1231 14.1544 14.1544 k = 0.3030 0.4965-0.0001 ( 5578 PWs) bands (ev): -17.5561 -17.5561 -17.5551 -17.5551 -14.1704 -14.1704 -14.1683 -14.1683 -13.3540 -13.3540 -13.3514 -13.3514 -11.2180 -11.2180 -11.2144 -11.2144 -3.4705 -3.4705 -3.4536 -3.4536 -1.4124 -1.4124 -1.3340 -1.3340 -1.1169 -1.1169 -1.0682 -1.0682 -0.4580 -0.4580 -0.4375 -0.4375 0.3291 0.3291 0.4030 0.4030 0.6183 0.6183 0.6742 0.6742 1.1724 1.1724 1.3020 1.3020 1.6205 1.6205 1.8160 1.8160 1.9582 1.9582 2.0658 2.0658 2.3601 2.3601 2.6290 2.6290 2.9996 2.9996 3.0655 3.0655 3.4686 3.4686 3.5588 3.5588 3.8728 3.8728 3.9260 3.9260 4.0023 4.0023 4.1508 4.1508 5.0066 5.0066 5.0818 5.0818 5.5457 5.5457 5.6014 5.6014 5.7876 5.7876 5.8549 5.8549 9.0988 9.0988 9.1224 9.1224 12.1051 12.1051 12.1419 12.1419 12.9723 12.9723 12.9975 12.9975 14.1310 14.1310 14.1634 14.1634 k = 0.2879 0.4965-0.0001 ( 5588 PWs) bands (ev): -17.5574 -17.5574 -17.5563 -17.5563 -14.1692 -14.1692 -14.1671 -14.1671 -13.3530 -13.3530 -13.3503 -13.3503 -11.2175 -11.2175 -11.2139 -11.2139 -3.4745 -3.4745 -3.4573 -3.4573 -1.4108 -1.4108 -1.3318 -1.3318 -1.1111 -1.1111 -1.0606 -1.0606 -0.4607 -0.4607 -0.4397 -0.4397 0.3184 0.3184 0.3988 0.3988 0.6152 0.6152 0.6783 0.6783 1.1709 1.1709 1.3030 1.3030 1.6104 1.6104 1.8131 1.8131 1.9559 1.9559 2.0616 2.0616 2.3552 2.3552 2.6329 2.6329 3.0059 3.0059 3.0698 3.0698 3.4718 3.4718 3.5642 3.5642 3.8792 3.8792 3.9415 3.9415 3.9989 3.9989 4.1564 4.1564 4.9933 4.9933 5.0714 5.0714 5.5553 5.5553 5.6106 5.6106 5.7768 5.7768 5.8471 5.8471 9.1114 9.1114 9.1348 9.1348 12.0910 12.0910 12.1285 12.1285 12.9748 12.9748 13.0008 13.0008 14.1395 14.1395 14.1728 14.1728 k = 0.2727 0.4965-0.0001 ( 5584 PWs) bands (ev): -17.5587 -17.5587 -17.5576 -17.5576 -14.1680 -14.1680 -14.1658 -14.1658 -13.3520 -13.3520 -13.3492 -13.3492 -11.2169 -11.2169 -11.2135 -11.2135 -3.4786 -3.4786 -3.4611 -3.4611 -1.4091 -1.4091 -1.3300 -1.3300 -1.1048 -1.1048 -1.0529 -1.0529 -0.4641 -0.4641 -0.4427 -0.4427 0.3094 0.3094 0.3958 0.3958 0.6123 0.6123 0.6821 0.6821 1.1702 1.1702 1.3039 1.3039 1.5998 1.5998 1.8086 1.8086 1.9542 1.9542 2.0579 2.0579 2.3492 2.3492 2.6345 2.6345 3.0125 3.0125 3.0739 3.0739 3.4760 3.4760 3.5695 3.5695 3.8845 3.8845 3.9558 3.9558 3.9973 3.9973 4.1639 4.1639 4.9807 4.9807 5.0614 5.0614 5.5645 5.5645 5.6193 5.6193 5.7662 5.7662 5.8393 5.8393 9.1242 9.1242 9.1474 9.1474 12.0760 12.0760 12.1141 12.1141 12.9781 12.9781 13.0047 13.0047 14.1484 14.1484 14.1824 14.1824 k = 0.2576 0.4965-0.0001 ( 5578 PWs) bands (ev): -17.5601 -17.5601 -17.5589 -17.5589 -14.1667 -14.1667 -14.1646 -14.1646 -13.3509 -13.3509 -13.3481 -13.3481 -11.2163 -11.2163 -11.2131 -11.2131 -3.4828 -3.4828 -3.4649 -3.4649 -1.4073 -1.4073 -1.3284 -1.3284 -1.0981 -1.0981 -1.0453 -1.0453 -0.4682 -0.4682 -0.4465 -0.4465 0.3024 0.3024 0.3938 0.3938 0.6097 0.6097 0.6855 0.6855 1.1701 1.1701 1.3046 1.3046 1.5887 1.5887 1.8022 1.8022 1.9532 1.9532 2.0549 2.0549 2.3419 2.3419 2.6340 2.6340 3.0192 3.0192 3.0781 3.0781 3.4810 3.4810 3.5747 3.5747 3.8888 3.8888 3.9665 3.9665 3.9994 3.9994 4.1732 4.1732 4.9690 4.9690 5.0516 5.0516 5.5734 5.5734 5.6272 5.6272 5.7559 5.7559 5.8316 5.8316 9.1371 9.1371 9.1600 9.1600 12.0603 12.0603 12.0986 12.0986 12.9823 12.9823 13.0092 13.0092 14.1577 14.1577 14.1923 14.1923 k = 0.2424 0.4965-0.0001 ( 5572 PWs) bands (ev): -17.5614 -17.5614 -17.5603 -17.5603 -14.1654 -14.1654 -14.1633 -14.1633 -13.3498 -13.3498 -13.3469 -13.3469 -11.2158 -11.2158 -11.2126 -11.2126 -3.4870 -3.4870 -3.4689 -3.4689 -1.4054 -1.4054 -1.3270 -1.3270 -1.0910 -1.0910 -1.0376 -1.0376 -0.4729 -0.4729 -0.4509 -0.4509 0.2976 0.2976 0.3929 0.3929 0.6075 0.6075 0.6883 0.6883 1.1709 1.1709 1.3052 1.3052 1.5770 1.5770 1.7939 1.7939 1.9527 1.9527 2.0532 2.0532 2.3333 2.3333 2.6314 2.6314 3.0257 3.0257 3.0822 3.0822 3.4869 3.4869 3.5797 3.5797 3.8924 3.8924 3.9713 3.9713 4.0078 4.0078 4.1840 4.1840 4.9581 4.9581 5.0422 5.0422 5.5819 5.5819 5.6343 5.6343 5.7460 5.7460 5.8243 5.8243 9.1500 9.1500 9.1725 9.1725 12.0439 12.0439 12.0824 12.0824 12.9873 12.9873 13.0144 13.0144 14.1673 14.1673 14.2024 14.2024 k = 0.2273 0.4965-0.0001 ( 5562 PWs) bands (ev): -17.5627 -17.5627 -17.5616 -17.5616 -14.1642 -14.1642 -14.1621 -14.1621 -13.3486 -13.3486 -13.3458 -13.3458 -11.2152 -11.2152 -11.2122 -11.2122 -3.4912 -3.4912 -3.4728 -3.4728 -1.4034 -1.4034 -1.3260 -1.3260 -1.0836 -1.0836 -1.0300 -1.0300 -0.4782 -0.4782 -0.4561 -0.4561 0.2948 0.2948 0.3931 0.3931 0.6057 0.6057 0.6905 0.6905 1.1726 1.1726 1.3059 1.3059 1.5647 1.5647 1.7837 1.7837 1.9529 1.9529 2.0528 2.0528 2.3234 2.3234 2.6266 2.6266 3.0318 3.0318 3.0863 3.0863 3.4933 3.4933 3.5845 3.5845 3.8954 3.8954 3.9716 3.9716 4.0207 4.0207 4.1962 4.1962 4.9482 4.9482 5.0331 5.0331 5.5899 5.5899 5.6407 5.6407 5.7366 5.7366 5.8173 5.8173 9.1627 9.1627 9.1849 9.1849 12.0270 12.0270 12.0656 12.0656 12.9930 12.9930 13.0201 13.0201 14.1772 14.1772 14.2124 14.2124 k = 0.2121 0.4965-0.0001 ( 5558 PWs) bands (ev): -17.5640 -17.5640 -17.5629 -17.5629 -14.1630 -14.1630 -14.1609 -14.1609 -13.3475 -13.3475 -13.3447 -13.3447 -11.2146 -11.2146 -11.2117 -11.2117 -3.4954 -3.4954 -3.4768 -3.4768 -1.4014 -1.4014 -1.3252 -1.3252 -1.0760 -1.0760 -1.0227 -1.0227 -0.4840 -0.4840 -0.4619 -0.4619 0.2942 0.2942 0.3943 0.3943 0.6044 0.6044 0.6920 0.6920 1.1752 1.1752 1.3067 1.3067 1.5519 1.5519 1.7714 1.7714 1.9535 1.9535 2.0541 2.0541 2.3124 2.3124 2.6199 2.6199 3.0374 3.0374 3.0903 3.0903 3.5001 3.5001 3.5892 3.5892 3.8982 3.8982 3.9702 3.9702 4.0353 4.0353 4.2094 4.2094 4.9393 4.9393 5.0243 5.0243 5.5975 5.5975 5.6461 5.6461 5.7279 5.7279 5.8107 5.8107 9.1751 9.1751 9.1969 9.1969 12.0098 12.0098 12.0483 12.0483 12.9993 12.9994 13.0263 13.0263 14.1873 14.1873 14.2224 14.2224 k = 0.1970 0.4965-0.0001 ( 5562 PWs) bands (ev): -17.5653 -17.5653 -17.5642 -17.5642 -14.1618 -14.1618 -14.1597 -14.1597 -13.3464 -13.3464 -13.3437 -13.3437 -11.2140 -11.2140 -11.2113 -11.2113 -3.4995 -3.4995 -3.4807 -3.4807 -1.3994 -1.3994 -1.3247 -1.3247 -1.0682 -1.0682 -1.0156 -1.0156 -0.4903 -0.4903 -0.4681 -0.4681 0.2956 0.2956 0.3964 0.3964 0.6037 0.6037 0.6927 0.6927 1.1787 1.1787 1.3079 1.3079 1.5386 1.5386 1.7572 1.7572 1.9546 1.9546 2.0570 2.0570 2.3007 2.3007 2.6111 2.6111 3.0423 3.0423 3.0941 3.0941 3.5074 3.5074 3.5938 3.5938 3.9007 3.9007 3.9684 3.9684 4.0503 4.0503 4.2232 4.2232 4.9312 4.9312 5.0158 5.0158 5.6045 5.6045 5.6506 5.6506 5.7200 5.7200 5.8047 5.8047 9.1871 9.1871 9.2086 9.2086 11.9926 11.9926 12.0307 12.0307 13.0062 13.0062 13.0327 13.0327 14.1974 14.1974 14.2323 14.2323 k = 0.1818 0.4965-0.0001 ( 5558 PWs) bands (ev): -17.5665 -17.5665 -17.5654 -17.5654 -14.1607 -14.1607 -14.1586 -14.1586 -13.3453 -13.3453 -13.3427 -13.3427 -11.2134 -11.2134 -11.2109 -11.2109 -3.5035 -3.5035 -3.4845 -3.4845 -1.3973 -1.3973 -1.3244 -1.3244 -1.0603 -1.0603 -1.0089 -1.0089 -0.4970 -0.4970 -0.4747 -0.4747 0.2989 0.2989 0.3992 0.3992 0.6034 0.6034 0.6928 0.6928 1.1832 1.1832 1.3096 1.3096 1.5248 1.5248 1.7413 1.7413 1.9561 1.9561 2.0613 2.0613 2.2886 2.2886 2.6004 2.6004 3.0467 3.0467 3.0976 3.0976 3.5148 3.5148 3.5984 3.5984 3.9032 3.9032 3.9666 3.9666 4.0651 4.0652 4.2373 4.2373 4.9242 4.9242 5.0076 5.0076 5.6110 5.6110 5.6542 5.6542 5.7130 5.7130 5.7993 5.7993 9.1987 9.1987 9.2197 9.2197 11.9755 11.9755 12.0132 12.0132 13.0136 13.0136 13.0394 13.0394 14.2075 14.2075 14.2419 14.2419 k = 0.1667 0.4965-0.0001 ( 5552 PWs) bands (ev): -17.5677 -17.5677 -17.5666 -17.5666 -14.1596 -14.1596 -14.1575 -14.1575 -13.3442 -13.3442 -13.3417 -13.3417 -11.2128 -11.2128 -11.2105 -11.2105 -3.5073 -3.5073 -3.4881 -3.4881 -1.3953 -1.3953 -1.3244 -1.3244 -1.0524 -1.0524 -1.0026 -1.0026 -0.5038 -0.5038 -0.4816 -0.4816 0.3038 0.3038 0.4025 0.4025 0.6036 0.6036 0.6920 0.6920 1.1886 1.1886 1.3120 1.3120 1.5108 1.5108 1.7237 1.7237 1.9580 1.9580 2.0667 2.0667 2.2768 2.2768 2.5879 2.5879 3.0504 3.0504 3.1006 3.1006 3.5224 3.5224 3.6028 3.6028 3.9056 3.9056 3.9649 3.9649 4.0796 4.0796 4.2513 4.2513 4.9181 4.9181 4.9997 4.9997 5.6168 5.6168 5.6568 5.6568 5.7070 5.7070 5.7946 5.7946 9.2098 9.2098 9.2303 9.2303 11.9587 11.9587 11.9959 11.9959 13.0212 13.0212 13.0461 13.0461 14.2175 14.2175 14.2511 14.2511 k = 0.1515 0.4965-0.0001 ( 5558 PWs) bands (ev): -17.5688 -17.5688 -17.5677 -17.5677 -14.1586 -14.1586 -14.1565 -14.1565 -13.3431 -13.3431 -13.3408 -13.3408 -11.2123 -11.2123 -11.2101 -11.2101 -3.5110 -3.5110 -3.4916 -3.4916 -1.3932 -1.3932 -1.3245 -1.3245 -1.0445 -1.0445 -0.9969 -0.9969 -0.5107 -0.5107 -0.4886 -0.4886 0.3102 0.3102 0.4062 0.4062 0.6044 0.6044 0.6905 0.6905 1.1948 1.1948 1.3151 1.3151 1.4966 1.4966 1.7048 1.7048 1.9603 1.9603 2.0725 2.0725 2.2661 2.2661 2.5735 2.5735 3.0537 3.0537 3.1030 3.1030 3.5300 3.5300 3.6072 3.6072 3.9081 3.9081 3.9633 3.9633 4.0934 4.0934 4.2650 4.2650 4.9129 4.9129 4.9921 4.9921 5.6217 5.6217 5.6586 5.6586 5.7023 5.7023 5.7904 5.7904 9.2202 9.2202 9.2403 9.2403 11.9425 11.9425 11.9791 11.9791 13.0290 13.0290 13.0527 13.0527 14.2273 14.2273 14.2599 14.2599 k = 0.1364 0.4965-0.0001 ( 5552 PWs) bands (ev): -17.5699 -17.5699 -17.5687 -17.5687 -14.1576 -14.1576 -14.1556 -14.1556 -13.3421 -13.3421 -13.3400 -13.3400 -11.2118 -11.2118 -11.2098 -11.2098 -3.5144 -3.5144 -3.4949 -3.4949 -1.3913 -1.3913 -1.3248 -1.3248 -1.0367 -1.0367 -0.9918 -0.9918 -0.5174 -0.5174 -0.4955 -0.4955 0.3178 0.3178 0.4099 0.4099 0.6056 0.6056 0.6883 0.6883 1.2019 1.2019 1.3191 1.3191 1.4825 1.4825 1.6848 1.6848 1.9630 1.9630 2.0778 2.0778 2.2575 2.2575 2.5575 2.5575 3.0567 3.0567 3.1047 3.1047 3.5374 3.5374 3.6116 3.6116 3.9106 3.9106 3.9619 3.9619 4.1064 4.1064 4.2781 4.2781 4.9086 4.9086 4.9848 4.9848 5.6258 5.6258 5.6597 5.6597 5.6987 5.6987 5.7869 5.7869 9.2298 9.2298 9.2495 9.2495 11.9271 11.9271 11.9631 11.9631 13.0368 13.0368 13.0590 13.0590 14.2367 14.2367 14.2681 14.2681 k = 0.1212 0.4965-0.0001 ( 5546 PWs) bands (ev): -17.5708 -17.5708 -17.5697 -17.5697 -14.1567 -14.1567 -14.1548 -14.1548 -13.3412 -13.3412 -13.3392 -13.3392 -11.2113 -11.2113 -11.2095 -11.2095 -3.5176 -3.5176 -3.4980 -3.4980 -1.3894 -1.3894 -1.3253 -1.3253 -1.0291 -1.0291 -0.9874 -0.9874 -0.5237 -0.5237 -0.5023 -0.5023 0.3263 0.3263 0.4134 0.4134 0.6075 0.6075 0.6853 0.6853 1.2098 1.2098 1.3238 1.3238 1.4690 1.4690 1.6639 1.6639 1.9661 1.9661 2.0815 2.0815 2.2522 2.2522 2.5398 2.5398 3.0594 3.0594 3.1056 3.1056 3.5447 3.5447 3.6158 3.6158 3.9132 3.9132 3.9605 3.9605 4.1184 4.1184 4.2904 4.2904 4.9052 4.9052 4.9779 4.9779 5.6287 5.6287 5.6605 5.6605 5.6962 5.6962 5.7840 5.7840 9.2387 9.2387 9.2579 9.2579 11.9127 11.9127 11.9480 11.9480 13.0445 13.0445 13.0650 13.0650 14.2457 14.2457 14.2756 14.2756 k = 0.1061 0.4965-0.0001 ( 5546 PWs) bands (ev): -17.5716 -17.5716 -17.5706 -17.5706 -14.1559 -14.1559 -14.1540 -14.1540 -13.3403 -13.3403 -13.3386 -13.3386 -11.2108 -11.2108 -11.2093 -11.2093 -3.5204 -3.5204 -3.5007 -3.5007 -1.3876 -1.3876 -1.3259 -1.3259 -1.0218 -1.0218 -0.9838 -0.9838 -0.5296 -0.5296 -0.5087 -0.5087 0.3354 0.3354 0.4165 0.4165 0.6099 0.6099 0.6817 0.6817 1.2183 1.2183 1.3288 1.3288 1.4567 1.4567 1.6423 1.6423 1.9698 1.9698 2.0827 2.0827 2.2514 2.2514 2.5207 2.5207 3.0619 3.0619 3.1059 3.1059 3.5515 3.5515 3.6198 3.6198 3.9159 3.9159 3.9591 3.9591 4.1294 4.1294 4.3017 4.3017 4.9027 4.9027 4.9713 4.9713 5.6305 5.6305 5.6612 5.6612 5.6946 5.6946 5.7815 5.7815 9.2467 9.2467 9.2655 9.2655 11.8995 11.8995 11.9340 11.9340 13.0519 13.0519 13.0704 13.0704 14.2541 14.2541 14.2824 14.2824 k = 0.0909 0.4965-0.0001 ( 5548 PWs) bands (ev): -17.5724 -17.5724 -17.5713 -17.5713 -14.1552 -14.1552 -14.1533 -14.1533 -13.3396 -13.3396 -13.3380 -13.3380 -11.2104 -11.2104 -11.2090 -11.2090 -3.5230 -3.5230 -3.5032 -3.5032 -1.3860 -1.3860 -1.3265 -1.3265 -1.0148 -1.0148 -0.9810 -0.9810 -0.5348 -0.5348 -0.5148 -0.5148 0.3448 0.3448 0.4189 0.4189 0.6129 0.6129 0.6774 0.6774 1.2274 1.2274 1.3333 1.3333 1.4467 1.4467 1.6201 1.6201 1.9740 1.9740 2.0809 2.0809 2.2557 2.2557 2.5004 2.5004 3.0644 3.0644 3.1056 3.1056 3.5579 3.5579 3.6235 3.6235 3.9186 3.9186 3.9576 3.9576 4.1392 4.1392 4.3118 4.3118 4.9009 4.9009 4.9652 4.9652 5.6312 5.6312 5.6620 5.6620 5.6938 5.6938 5.7795 5.7795 9.2538 9.2538 9.2722 9.2722 11.8876 11.8876 11.9215 11.9215 13.0589 13.0589 13.0752 13.0752 14.2618 14.2618 14.2883 14.2883 k = 0.0758 0.4965-0.0001 ( 5556 PWs) bands (ev): -17.5731 -17.5731 -17.5720 -17.5720 -14.1547 -14.1547 -14.1528 -14.1528 -13.3389 -13.3389 -13.3375 -13.3375 -11.2100 -11.2100 -11.2089 -11.2089 -3.5252 -3.5252 -3.5054 -3.5054 -1.3845 -1.3845 -1.3271 -1.3271 -1.0082 -1.0082 -0.9791 -0.9791 -0.5393 -0.5393 -0.5202 -0.5202 0.3542 0.3542 0.4205 0.4205 0.6165 0.6165 0.6726 0.6726 1.2371 1.2371 1.3358 1.3358 1.4406 1.4406 1.5977 1.5977 1.9787 1.9787 2.0762 2.0762 2.2647 2.2647 2.4790 2.4790 3.0667 3.0667 3.1049 3.1049 3.5636 3.5636 3.6268 3.6268 3.9213 3.9213 3.9561 3.9561 4.1477 4.1477 4.3205 4.3205 4.8998 4.8998 4.9595 4.9595 5.6311 5.6311 5.6630 5.6630 5.6935 5.6935 5.7779 5.7779 9.2599 9.2599 9.2779 9.2779 11.8773 11.8773 11.9105 11.9105 13.0653 13.0653 13.0792 13.0792 14.2686 14.2686 14.2933 14.2933 k = 0.0606 0.4965-0.0001 ( 5556 PWs) bands (ev): -17.5736 -17.5736 -17.5726 -17.5726 -14.1542 -14.1542 -14.1523 -14.1523 -13.3382 -13.3382 -13.3372 -13.3372 -11.2097 -11.2097 -11.2087 -11.2087 -3.5270 -3.5270 -3.5072 -3.5072 -1.3832 -1.3832 -1.3277 -1.3277 -1.0020 -1.0020 -0.9781 -0.9781 -0.5430 -0.5430 -0.5250 -0.5250 0.3631 0.3631 0.4211 0.4211 0.6207 0.6207 0.6674 0.6674 1.2474 1.2474 1.3348 1.3348 1.4400 1.4400 1.5752 1.5752 1.9838 1.9838 2.0696 2.0696 2.2779 2.2779 2.4570 2.4570 3.0688 3.0688 3.1038 3.1038 3.5685 3.5685 3.6296 3.6296 3.9239 3.9239 3.9545 3.9545 4.1548 4.1548 4.3278 4.3278 4.8993 4.8993 4.9546 4.9546 5.6306 5.6306 5.6639 5.6639 5.6936 5.6936 5.7766 5.7766 9.2649 9.2649 9.2826 9.2826 11.8687 11.8687 11.9013 11.9013 13.0710 13.0710 13.0824 13.0824 14.2745 14.2745 14.2973 14.2973 k = 0.0455 0.4965-0.0001 ( 5552 PWs) bands (ev): -17.5740 -17.5740 -17.5730 -17.5730 -14.1538 -14.1538 -14.1519 -14.1519 -13.3377 -13.3377 -13.3369 -13.3369 -11.2094 -11.2094 -11.2086 -11.2086 -3.5285 -3.5285 -3.5086 -3.5086 -1.3822 -1.3822 -1.3282 -1.3282 -0.9964 -0.9964 -0.9781 -0.9781 -0.5458 -0.5458 -0.5289 -0.5289 0.3712 0.3712 0.4208 0.4208 0.6254 0.6254 0.6618 0.6618 1.2580 1.2580 1.3300 1.3300 1.4455 1.4455 1.5530 1.5530 1.9891 1.9891 2.0621 2.0621 2.2940 2.2940 2.4347 2.4347 3.0707 3.0707 3.1025 3.1025 3.5725 3.5725 3.6318 3.6318 3.9263 3.9263 3.9530 3.9530 4.1604 4.1604 4.3336 4.3336 4.8991 4.8991 4.9504 4.9504 5.6298 5.6298 5.6648 5.6648 5.6938 5.6938 5.7757 5.7757 9.2689 9.2689 9.2863 9.2863 11.8619 11.8619 11.8939 11.8939 13.0759 13.0759 13.0846 13.0846 14.2793 14.2793 14.3004 14.3004 k = 0.0303 0.4965-0.0001 ( 5550 PWs) bands (ev): -17.5743 -17.5743 -17.5733 -17.5733 -14.1535 -14.1535 -14.1516 -14.1516 -13.3373 -13.3373 -13.3367 -13.3367 -11.2092 -11.2092 -11.2086 -11.2086 -3.5295 -3.5295 -3.5096 -3.5096 -1.3814 -1.3814 -1.3286 -1.3286 -0.9914 -0.9914 -0.9790 -0.9790 -0.5478 -0.5478 -0.5318 -0.5318 0.3780 0.3780 0.4199 0.4199 0.6304 0.6304 0.6561 0.6561 1.2686 1.2686 1.3222 1.3222 1.4562 1.4562 1.5315 1.5315 1.9942 1.9942 2.0549 2.0549 2.3119 2.3119 2.4128 2.4128 3.0723 3.0723 3.1014 3.1014 3.5754 3.5754 3.6335 3.6335 3.9283 3.9283 3.9516 3.9516 4.1644 4.1644 4.3377 4.3377 4.8993 4.8993 4.9472 4.9472 5.6292 5.6292 5.6654 5.6654 5.6941 5.6941 5.7750 5.7750 9.2717 9.2717 9.2890 9.2890 11.8569 11.8569 11.8886 11.8886 13.0799 13.0799 13.0857 13.0857 14.2829 14.2829 14.3026 14.3026 k = 0.0152 0.4965-0.0001 ( 5548 PWs) bands (ev): -17.5745 -17.5745 -17.5735 -17.5735 -14.1533 -14.1533 -14.1515 -14.1515 -13.3370 -13.3370 -13.3367 -13.3367 -11.2090 -11.2090 -11.2086 -11.2086 -3.5302 -3.5302 -3.5102 -3.5102 -1.3809 -1.3809 -1.3289 -1.3289 -0.9871 -0.9871 -0.9809 -0.9809 -0.5490 -0.5490 -0.5336 -0.5336 0.3826 0.3826 0.4189 0.4189 0.6353 0.6353 0.6508 0.6508 1.2783 1.2783 1.3137 1.3137 1.4704 1.4704 1.5113 1.5113 1.9981 1.9981 2.0495 2.0495 2.3292 2.3292 2.3933 2.3933 3.0733 3.0733 3.1006 3.1006 3.5772 3.5772 3.6345 3.6345 3.9296 3.9296 3.9507 3.9507 4.1669 4.1669 4.3403 4.3403 4.8994 4.8994 4.9452 4.9452 5.6287 5.6287 5.6658 5.6658 5.6943 5.6943 5.7746 5.7746 9.2735 9.2735 9.2906 9.2906 11.8539 11.8539 11.8854 11.8854 13.0829 13.0829 13.0859 13.0859 14.2851 14.2851 14.3039 14.3039 k = 0.0000 0.4965-0.0001 ( 5548 PWs) bands (ev): -17.5746 -17.5746 -17.5736 -17.5736 -14.1533 -14.1533 -14.1514 -14.1514 -13.3369 -13.3369 -13.3367 -13.3367 -11.2090 -11.2090 -11.2086 -11.2086 -3.5304 -3.5304 -3.5104 -3.5104 -1.3808 -1.3808 -1.3290 -1.3290 -0.9840 -0.9840 -0.9832 -0.9832 -0.5494 -0.5494 -0.5342 -0.5342 0.3843 0.3843 0.4184 0.4184 0.6382 0.6382 0.6478 0.6478 1.2831 1.2831 1.3091 1.3091 1.4818 1.4818 1.4980 1.4980 1.9997 1.9997 2.0474 2.0474 2.3383 2.3383 2.3834 2.3834 3.0737 3.0737 3.1003 3.1003 3.5778 3.5778 3.6348 3.6348 3.9301 3.9301 3.9503 3.9503 4.1677 4.1677 4.3411 4.3411 4.8995 4.8995 4.9445 4.9445 5.6286 5.6286 5.6659 5.6659 5.6944 5.6944 5.7745 5.7745 9.2740 9.2740 9.2912 9.2912 11.8529 11.8529 11.8843 11.8843 13.0848 13.0848 13.0851 13.0851 14.2858 14.2858 14.3043 14.3043 k = 0.0000 0.4965-0.0001 ( 5548 PWs) bands (ev): -17.5746 -17.5746 -17.5736 -17.5736 -14.1533 -14.1533 -14.1514 -14.1514 -13.3369 -13.3369 -13.3367 -13.3367 -11.2090 -11.2090 -11.2086 -11.2086 -3.5304 -3.5304 -3.5104 -3.5104 -1.3808 -1.3808 -1.3290 -1.3290 -0.9840 -0.9840 -0.9832 -0.9832 -0.5494 -0.5494 -0.5342 -0.5342 0.3843 0.3843 0.4184 0.4184 0.6382 0.6382 0.6478 0.6478 1.2831 1.2831 1.3091 1.3091 1.4818 1.4818 1.4980 1.4980 1.9997 1.9997 2.0474 2.0474 2.3383 2.3383 2.3834 2.3834 3.0737 3.0737 3.1003 3.1003 3.5778 3.5778 3.6348 3.6348 3.9301 3.9301 3.9503 3.9503 4.1677 4.1677 4.3411 4.3411 4.8995 4.8995 4.9445 4.9445 5.6286 5.6286 5.6659 5.6659 5.6944 5.6944 5.7745 5.7745 9.2740 9.2740 9.2912 9.2912 11.8529 11.8529 11.8843 11.8843 13.0848 13.0848 13.0851 13.0851 14.2858 14.2858 14.3043 14.3043 k = 0.0000 0.4965 0.0151 ( 5546 PWs) bands (ev): -17.5757 -17.5748 -17.5733 -17.5724 -14.1590 -14.1571 -14.1475 -14.1457 -13.3378 -13.3376 -13.3360 -13.3358 -11.2139 -11.2137 -11.2044 -11.2039 -3.5398 -3.5194 -3.5186 -3.5009 -1.3902 -1.3708 -1.3337 -1.3238 -0.9924 -0.9863 -0.9808 -0.9731 -0.5531 -0.5452 -0.5428 -0.5253 0.3759 0.3920 0.4025 0.4336 0.6263 0.6388 0.6498 0.6562 1.2706 1.2947 1.3016 1.3156 1.4753 1.4893 1.4897 1.5082 1.9927 2.0068 2.0379 2.0566 2.3344 2.3428 2.3751 2.3920 3.0567 3.0856 3.0925 3.1057 3.5625 3.5914 3.6121 3.6525 3.9131 3.9416 3.9462 3.9592 4.1336 4.2026 4.3170 4.3622 4.8757 4.9218 4.9235 4.9641 5.6231 5.6359 5.6625 5.6710 5.6902 5.7031 5.7689 5.7836 9.2644 9.2776 9.2883 9.3093 11.8473 11.8591 11.8784 11.8906 13.0684 13.0703 13.0998 13.1009 14.2772 14.2941 14.3015 14.3071 k = 0.0000 0.4965 0.0302 ( 5546 PWs) bands (ev): -17.5769 -17.5759 -17.5721 -17.5711 -14.1646 -14.1628 -14.1418 -14.1399 -13.3387 -13.3385 -13.3351 -13.3349 -11.2191 -11.2190 -11.2001 -11.1995 -3.5479 -3.5254 -3.5071 -3.4900 -1.3990 -1.3602 -1.3382 -1.3184 -1.0007 -0.9878 -0.9768 -0.9623 -0.5563 -0.5509 -0.5407 -0.5161 0.3668 0.3862 0.3991 0.4481 0.6143 0.6293 0.6612 0.6639 1.2573 1.2931 1.3050 1.3213 1.4702 1.4834 1.4975 1.5203 1.9860 2.0139 2.0281 2.0653 2.3310 2.3480 2.3672 2.4009 3.0346 3.0823 3.0924 3.1086 3.5458 3.5844 3.6028 3.6648 3.8947 3.9334 3.9614 3.9679 4.1019 4.2372 4.2903 4.3802 4.8510 4.9018 4.9421 4.9816 5.6200 5.6432 5.6605 5.6770 5.6908 5.7172 5.7671 5.7961 9.2594 9.2686 9.3072 9.3320 11.8422 11.8656 11.8730 11.8972 13.0521 13.0556 13.1141 13.1166 14.2683 14.2988 14.3020 14.3099 k = 0.0000 0.4965 0.0454 ( 5556 PWs) bands (ev): -17.5780 -17.5771 -17.5708 -17.5698 -14.1701 -14.1684 -14.1361 -14.1342 -13.3397 -13.3394 -13.3343 -13.3341 -11.2246 -11.2245 -11.1962 -11.1954 -3.5545 -3.5310 -3.4934 -3.4778 -1.4072 -1.3490 -1.3424 -1.3126 -1.0078 -0.9884 -0.9722 -0.9509 -0.5590 -0.5585 -0.5358 -0.5067 0.3570 0.3694 0.4054 0.4618 0.6025 0.6192 0.6709 0.6721 1.2435 1.2835 1.3140 1.3261 1.4665 1.4790 1.5063 1.5340 1.9797 2.0182 2.0208 2.0735 2.3280 2.3538 2.3596 2.4099 3.0074 3.0696 3.0942 3.1090 3.5281 3.5525 3.6118 3.6719 3.8745 3.9256 3.9755 3.9761 4.0743 4.2617 4.2707 4.3951 4.8260 4.8802 4.9601 4.9965 5.6186 5.6490 5.6596 5.6826 5.6970 5.7370 5.7702 5.8124 9.2590 9.2641 9.3306 9.3590 11.8376 11.8680 11.8726 11.9040 13.0360 13.0412 13.1279 13.1317 14.2592 14.2961 14.3095 14.3128 k = 0.0000 0.4965 0.0605 ( 5559 PWs) bands (ev): -17.5790 -17.5781 -17.5695 -17.5685 -14.1756 -14.1739 -14.1304 -14.1285 -13.3406 -13.3403 -13.3334 -13.3332 -11.2305 -11.2302 -11.1926 -11.1917 -3.5596 -3.5353 -3.4784 -3.4644 -1.4148 -1.3463 -1.3372 -1.3065 -1.0137 -0.9879 -0.9671 -0.9390 -0.5656 -0.5612 -0.5305 -0.4970 0.3467 0.3523 0.4109 0.4744 0.5908 0.6087 0.6772 0.6826 1.2297 1.2730 1.3217 1.3303 1.4643 1.4764 1.5153 1.5490 1.9741 2.0082 2.0272 2.0811 2.3255 2.3524 2.3601 2.4191 2.9754 3.0544 3.0911 3.1067 3.5101 3.5171 3.6183 3.6737 3.8521 3.9181 3.9832 3.9877 4.0526 4.2322 4.3024 4.4073 4.8015 4.8594 4.9757 5.0086 5.6176 5.6528 5.6589 5.6866 5.7101 5.7620 5.7789 5.8326 9.2632 9.2642 9.3582 9.3902 11.8334 11.8634 11.8797 11.9107 13.0205 13.0274 13.1410 13.1460 14.2501 14.2935 14.3156 14.3165 k = 0.0000 0.4965 0.0757 ( 5566 PWs) bands (ev): -17.5800 -17.5791 -17.5682 -17.5672 -14.1810 -14.1793 -14.1248 -14.1229 -13.3415 -13.3412 -13.3326 -13.3324 -11.2365 -11.2361 -11.1894 -11.1884 -3.5635 -3.5384 -3.4622 -3.4498 -1.4219 -1.3501 -1.3250 -1.3002 -1.0184 -0.9864 -0.9615 -0.9267 -0.5721 -0.5627 -0.5250 -0.4873 0.3350 0.3356 0.4157 0.4860 0.5794 0.5978 0.6828 0.6924 1.2160 1.2616 1.3282 1.3338 1.4637 1.4754 1.5244 1.5651 1.9693 1.9982 2.0331 2.0882 2.3233 2.3455 2.3669 2.4281 2.9390 3.0366 3.0832 3.1015 3.4795 3.4920 3.6224 3.6703 3.8278 3.9103 3.9888 3.9961 4.0392 4.2031 4.3319 4.4170 4.7781 4.8398 4.9889 5.0183 5.6156 5.6551 5.6578 5.6883 5.7300 5.7910 5.7933 5.8565 9.2687 9.2717 9.3900 9.4254 11.8294 11.8591 11.8868 11.9172 13.0057 13.0144 13.1531 13.1594 14.2411 14.2908 14.3186 14.3230 k = 0.0000 0.4965 0.0908 ( 5570 PWs) bands (ev): -17.5809 -17.5801 -17.5669 -17.5659 -14.1862 -14.1846 -14.1193 -14.1174 -13.3424 -13.3421 -13.3318 -13.3316 -11.2427 -11.2422 -11.1866 -11.1854 -3.5660 -3.5404 -3.4449 -3.4341 -1.4284 -1.3538 -1.3122 -1.2935 -1.0216 -0.9839 -0.9555 -0.9141 -0.5779 -0.5637 -0.5191 -0.4774 0.3176 0.3240 0.4197 0.4962 0.5685 0.5867 0.6876 0.7017 1.2029 1.2496 1.3337 1.3368 1.4646 1.4759 1.5333 1.5819 1.9652 1.9885 2.0383 2.0947 2.3212 2.3388 2.3741 2.4370 2.8987 3.0163 3.0708 3.0929 3.4409 3.4744 3.6240 3.6617 3.8027 3.9013 3.9925 3.9980 4.0366 4.1760 4.3590 4.4249 4.7563 4.8218 5.0001 5.0256 5.6123 5.6556 5.6565 5.6882 5.7561 5.8128 5.8227 5.8836 9.2774 9.2843 9.4255 9.4642 11.8257 11.8551 11.8937 11.9232 12.9920 13.0026 13.1643 13.1718 14.2323 14.2880 14.3215 14.3289 k = 0.0000 0.4965 0.1060 ( 5582 PWs) bands (ev): -17.5818 -17.5810 -17.5656 -17.5647 -14.1912 -14.1897 -14.1139 -14.1121 -13.3432 -13.3430 -13.3310 -13.3308 -11.2490 -11.2483 -11.1840 -11.1828 -3.5674 -3.5414 -3.4268 -3.4175 -1.4344 -1.3575 -1.2992 -1.2865 -1.0236 -0.9804 -0.9493 -0.9014 -0.5831 -0.5640 -0.5130 -0.4676 0.3003 0.3120 0.4228 0.5047 0.5581 0.5757 0.6916 0.7102 1.1906 1.2373 1.3383 1.3393 1.4669 1.4776 1.5421 1.5989 1.9621 1.9792 2.0425 2.1006 2.3192 2.3324 2.3813 2.4453 2.8553 2.9934 3.0541 3.0805 3.4031 3.4574 3.6233 3.6476 3.7785 3.8901 3.9941 3.9952 4.0417 4.1525 4.3838 4.4316 4.7364 4.8054 5.0094 5.0311 5.6078 5.6522 5.6571 5.6869 5.7870 5.8359 5.8559 5.9133 9.2901 9.3009 9.4646 9.5062 11.8219 11.8511 11.9000 11.9284 12.9798 12.9921 13.1742 13.1829 14.2240 14.2852 14.3245 14.3340 k = 0.0000 0.4965 0.1211 ( 5576 PWs) bands (ev): -17.5826 -17.5819 -17.5643 -17.5634 -14.1961 -14.1946 -14.1086 -14.1068 -13.3441 -13.3439 -13.3303 -13.3301 -11.2553 -11.2546 -11.1818 -11.1805 -3.5676 -3.5415 -3.4078 -3.4001 -1.4398 -1.3613 -1.2858 -1.2793 -1.0241 -0.9760 -0.9428 -0.8888 -0.5874 -0.5637 -0.5066 -0.4578 0.2831 0.2995 0.4249 0.5110 0.5484 0.5653 0.6949 0.7179 1.1794 1.2250 1.3413 1.3422 1.4704 1.4804 1.5505 1.6159 1.9600 1.9703 2.0458 2.1060 2.3170 2.3260 2.3882 2.4529 2.8100 2.9681 3.0334 3.0638 3.3678 3.4414 3.6205 3.6286 3.7566 3.8754 3.9921 3.9940 4.0494 4.1339 4.4063 4.4375 4.7187 4.7906 5.0170 5.0353 5.6025 5.6474 5.6572 5.6850 5.8213 5.8617 5.8898 5.9446 9.3066 9.3209 9.5068 9.5513 11.8179 11.8472 11.9055 11.9325 12.9692 12.9831 13.1829 13.1928 14.2164 14.2822 14.3275 14.3386 k = 0.0000 0.4965 0.1363 ( 5578 PWs) bands (ev): -17.5834 -17.5827 -17.5631 -17.5621 -14.2008 -14.1994 -14.1035 -14.1018 -13.3449 -13.3447 -13.3296 -13.3294 -11.2616 -11.2608 -11.1799 -11.1786 -3.5669 -3.5409 -3.3883 -3.3820 -1.4447 -1.3653 -1.2723 -1.2717 -1.0233 -0.9707 -0.9362 -0.8763 -0.5908 -0.5628 -0.4999 -0.4481 0.2662 0.2867 0.4260 0.5142 0.5393 0.5566 0.6974 0.7248 1.1695 1.2130 1.3428 1.3455 1.4749 1.4841 1.5585 1.6324 1.9587 1.9622 2.0480 2.1108 2.3145 2.3195 2.3943 2.4594 2.7640 2.9404 3.0092 3.0428 3.3364 3.4263 3.6056 3.6158 3.7375 3.8565 3.9902 3.9930 4.0571 4.1205 4.4267 4.4432 4.7031 4.7773 5.0234 5.0383 5.5966 5.6415 5.6569 5.6827 5.8579 5.8892 5.9236 5.9768 9.3263 9.3441 9.5518 9.5987 11.8137 11.8431 11.9098 11.9352 12.9606 12.9760 13.1903 13.2014 14.2097 14.2790 14.3308 14.3424 k = 0.0000 0.4965 0.1515 ( 5574 PWs) bands (ev): -17.5841 -17.5835 -17.5618 -17.5609 -14.2052 -14.2039 -14.0986 -14.0969 -13.3457 -13.3455 -13.3289 -13.3287 -11.2678 -11.2670 -11.1782 -11.1769 -3.5653 -3.5396 -3.3685 -3.3635 -1.4490 -1.3695 -1.2637 -1.2588 -1.0213 -0.9646 -0.9295 -0.8641 -0.5932 -0.5613 -0.4929 -0.4386 0.2497 0.2738 0.4261 0.5125 0.5310 0.5510 0.6991 0.7308 1.1610 1.2018 1.3439 1.3484 1.4802 1.4884 1.5663 1.6480 1.9549 1.9585 2.0489 2.1152 2.3117 2.3129 2.3985 2.4645 2.7192 2.9107 2.9821 3.0177 3.3097 3.4121 3.5801 3.6091 3.7209 3.8338 3.9895 3.9921 4.0641 4.1114 4.4452 4.4491 4.6897 4.7653 5.0287 5.0407 5.5903 5.6346 5.6563 5.6802 5.8955 5.9177 5.9566 6.0091 9.3491 9.3700 9.5990 9.6482 11.8091 11.8387 11.9127 11.9361 12.9542 12.9708 13.1964 13.2087 14.2040 14.2754 14.3343 14.3456 k = 0.0000 0.4965 0.1666 ( 5574 PWs) bands (ev): -17.5848 -17.5842 -17.5606 -17.5597 -14.2094 -14.2082 -14.0939 -14.0923 -13.3465 -13.3463 -13.3283 -13.3281 -11.2740 -11.2731 -11.1769 -11.1755 -3.5630 -3.5379 -3.3485 -3.3447 -1.4528 -1.3741 -1.2554 -1.2455 -1.0182 -0.9581 -0.9226 -0.8524 -0.5946 -0.5593 -0.4857 -0.4295 0.2337 0.2609 0.4252 0.5060 0.5233 0.5488 0.7002 0.7357 1.1540 1.1917 1.3446 1.3509 1.4861 1.4933 1.5737 1.6625 1.9487 1.9590 2.0486 2.1192 2.3059 2.3083 2.3992 2.4678 2.6779 2.8794 2.9527 2.9896 3.2881 3.3988 3.5537 3.6007 3.7064 3.8085 3.9898 3.9918 4.0701 4.1054 4.4553 4.4621 4.6781 4.7543 5.0330 5.0425 5.5838 5.6271 5.6554 5.6775 5.9332 5.9464 5.9884 6.0407 9.3744 9.3981 9.6480 9.6990 11.8039 11.8341 11.9139 11.9351 12.9501 12.9676 13.2013 13.2146 14.1994 14.2714 14.3381 14.3483 k = 0.0000 0.4965 0.1818 ( 5581 PWs) bands (ev): -17.5854 -17.5848 -17.5594 -17.5586 -14.2134 -14.2123 -14.0894 -14.0879 -13.3472 -13.3471 -13.3277 -13.3275 -11.2799 -11.2790 -11.1757 -11.1744 -3.5600 -3.5357 -3.3286 -3.3259 -1.4560 -1.3790 -1.2468 -1.2325 -1.0142 -0.9515 -0.9153 -0.8414 -0.5949 -0.5568 -0.4781 -0.4207 0.2185 0.2482 0.4232 0.4961 0.5164 0.5483 0.7007 0.7394 1.1487 1.1829 1.3449 1.3532 1.4925 1.4984 1.5808 1.6753 1.9438 1.9603 2.0470 2.1227 2.2986 2.3043 2.3943 2.4687 2.6430 2.8471 2.9218 2.9602 3.2710 3.3862 3.5279 3.5904 3.6934 3.7821 3.9908 3.9923 4.0752 4.1014 4.4620 4.4776 4.6682 4.7442 5.0367 5.0440 5.5773 5.6191 5.6543 5.6746 5.9702 5.9748 6.0187 6.0712 9.4017 9.4277 9.6982 9.7506 11.7982 11.8290 11.9131 11.9318 12.9486 12.9665 13.2050 13.2193 14.1958 14.2669 14.3423 14.3507 k = 0.0000 0.4965 0.1969 ( 5580 PWs) bands (ev): -17.5859 -17.5854 -17.5583 -17.5575 -14.2171 -14.2161 -14.0852 -14.0837 -13.3479 -13.3478 -13.3271 -13.3270 -11.2857 -11.2847 -11.1748 -11.1735 -3.5566 -3.5333 -3.3091 -3.3074 -1.4586 -1.3842 -1.2378 -1.2201 -1.0095 -0.9451 -0.9075 -0.8313 -0.5940 -0.5539 -0.4702 -0.4124 0.2042 0.2359 0.4201 0.4848 0.5101 0.5480 0.7007 0.7418 1.1450 1.1759 1.3448 1.3553 1.4990 1.5038 1.5878 1.6863 1.9403 1.9622 2.0442 2.1258 2.2909 2.2995 2.3817 2.4667 2.6176 2.8144 2.8903 2.9310 3.2579 3.3742 3.5036 3.5784 3.6815 3.7563 3.9922 3.9935 4.0792 4.0985 4.4693 4.4919 4.6598 4.7348 5.0397 5.0452 5.5710 5.6108 5.6532 5.6717 6.0025 6.0060 6.0471 6.0999 9.4305 9.4583 9.7490 9.8022 11.7919 11.8237 11.9103 11.9262 12.9495 12.9674 13.2077 13.2227 14.1933 14.2618 14.3470 14.3529 k = 0.0000 0.4965 0.2121 ( 5580 PWs) bands (ev): -17.5864 -17.5859 -17.5573 -17.5565 -14.2206 -14.2196 -14.0812 -14.0799 -13.3486 -13.3484 -13.3266 -13.3265 -11.2911 -11.2902 -11.1740 -11.1728 -3.5528 -3.5308 -3.2902 -3.2893 -1.4606 -1.3897 -1.2287 -1.2085 -1.0041 -0.9395 -0.8989 -0.8222 -0.5919 -0.5509 -0.4619 -0.4046 0.1910 0.2242 0.4161 0.4728 0.5046 0.5469 0.7003 0.7429 1.1428 1.1708 1.3445 1.3572 1.5056 1.5092 1.5948 1.6951 1.9382 1.9645 2.0404 2.1284 2.2828 2.2940 2.3608 2.4616 2.6030 2.7823 2.8590 2.9034 3.2480 3.3626 3.4814 3.5645 3.6707 3.7321 3.9939 3.9950 4.0824 4.0964 4.4771 4.5051 4.6527 4.7259 5.0422 5.0462 5.5649 5.6024 5.6521 5.6688 6.0291 6.0398 6.0734 6.1267 9.4603 9.4893 9.7998 9.8532 11.7852 11.8182 11.9055 11.9181 12.9527 12.9703 13.2096 13.2251 14.1916 14.2559 14.3522 14.3552 k = 0.0000 0.4965 0.2272 ( 5578 PWs) bands (ev): -17.5869 -17.5864 -17.5563 -17.5556 -14.2237 -14.2229 -14.0776 -14.0763 -13.3492 -13.3490 -13.3261 -13.3260 -11.2962 -11.2953 -11.1734 -11.1722 -3.5488 -3.5282 -3.2721 -3.2719 -1.4620 -1.3954 -1.2194 -1.1977 -0.9983 -0.9350 -0.8896 -0.8143 -0.5888 -0.5479 -0.4533 -0.3976 0.1791 0.2131 0.4112 0.4606 0.4998 0.5448 0.6996 0.7427 1.1421 1.1676 1.3439 1.3588 1.5121 1.5145 1.6018 1.7016 1.9377 1.9669 2.0359 2.1304 2.2743 2.2874 2.3338 2.4529 2.5980 2.7518 2.8287 2.8785 3.2407 3.3514 3.4618 3.5489 3.6608 3.7103 3.9958 3.9969 4.0847 4.0947 4.4853 4.5173 4.6465 4.7174 5.0443 5.0471 5.5592 5.5940 5.6510 5.6660 6.0543 6.0711 6.0978 6.1510 9.4903 9.5198 9.8499 9.9027 11.7783 11.8126 11.8987 11.9077 12.9580 12.9748 13.2109 13.2264 14.1903 14.2494 14.3578 14.3578 k = 0.0000 0.4965 0.2424 ( 5572 PWs) bands (ev): -17.5872 -17.5868 -17.5554 -17.5548 -14.2266 -14.2258 -14.0743 -14.0731 -13.3497 -13.3496 -13.3257 -13.3256 -11.3009 -11.3001 -11.1730 -11.1719 -3.5447 -3.5258 -3.2555 -3.2552 -1.4627 -1.4013 -1.2102 -1.1879 -0.9922 -0.9318 -0.8795 -0.8077 -0.5845 -0.5449 -0.4443 -0.3913 0.1686 0.2029 0.4055 0.4485 0.4959 0.5416 0.6990 0.7412 1.1428 1.1662 1.3433 1.3601 1.5182 1.5196 1.6089 1.7057 1.9385 1.9689 2.0312 2.1315 2.2657 2.2784 2.3059 2.4406 2.5999 2.7238 2.8005 2.8564 3.2356 3.3403 3.4451 3.5321 3.6520 3.6914 3.9978 3.9988 4.0864 4.0932 4.4938 4.5286 4.6413 4.7093 5.0460 5.0479 5.5541 5.5859 5.6499 5.6632 6.0776 6.0992 6.1204 6.1728 9.5200 9.5493 9.8986 9.9498 11.7715 11.8072 11.8903 11.8952 12.9650 12.9806 13.2117 13.2270 14.1894 14.2423 14.3609 14.3637 k = 0.0000 0.4965 0.2575 ( 5586 PWs) bands (ev): -17.5876 -17.5872 -17.5545 -17.5540 -14.2291 -14.2284 -14.0713 -14.0702 -13.3502 -13.3501 -13.3253 -13.3252 -11.3052 -11.3044 -11.1726 -11.1716 -3.5406 -3.5236 -3.2403 -3.2396 -1.4629 -1.4073 -1.2012 -1.1793 -0.9860 -0.9298 -0.8689 -0.8026 -0.5795 -0.5422 -0.4352 -0.3858 0.1598 0.1934 0.3994 0.4367 0.4928 0.5374 0.6985 0.7385 1.1446 1.1664 1.3427 1.3611 1.5239 1.5244 1.6163 1.7076 1.9402 1.9699 2.0273 2.1313 2.2569 2.2610 2.2868 2.4248 2.6058 2.6991 2.7751 2.8372 3.2325 3.3294 3.4313 3.5144 3.6441 3.6753 3.9996 4.0006 4.0875 4.0920 4.5024 4.5387 4.6370 4.7013 5.0474 5.0485 5.5495 5.5781 5.6490 5.6606 6.0990 6.1232 6.1417 6.1918 9.5488 9.5769 9.9451 9.9937 11.7650 11.8022 11.8804 11.8808 12.9733 12.9873 13.2123 13.2268 14.1885 14.2347 14.3647 14.3696 k = 0.0000 0.4965 0.2727 ( 5580 PWs) bands (ev): -17.5878 -17.5876 -17.5538 -17.5533 -14.2313 -14.2307 -14.0686 -14.0677 -13.3506 -13.3505 -13.3250 -13.3249 -11.3089 -11.3082 -11.1724 -11.1715 -3.5366 -3.5217 -3.2265 -3.2256 -1.4623 -1.4134 -1.1925 -1.1720 -0.9797 -0.9291 -0.8582 -0.7989 -0.5738 -0.5400 -0.4260 -0.3814 0.1527 0.1848 0.3933 0.4254 0.4906 0.5323 0.6984 0.7350 1.1474 1.1677 1.3424 1.3616 1.5289 1.5289 1.6240 1.7073 1.9425 1.9693 2.0252 2.1290 2.2370 2.2483 2.2782 2.4063 2.6137 2.6782 2.7536 2.8205 3.2312 3.3186 3.4205 3.4966 3.6374 3.6618 4.0014 4.0023 4.0882 4.0910 4.5111 4.5475 4.6338 4.6934 5.0486 5.0491 5.5457 5.5707 5.6482 5.6581 6.1183 6.1424 6.1624 6.2080 9.5758 9.6021 9.9885 10.0335 11.7594 11.7979 11.8650 11.8695 12.9822 12.9946 13.2127 13.2261 14.1876 14.2270 14.3690 14.3754 k = 0.0000 0.4965 0.2878 ( 5574 PWs) bands (ev): -17.5881 -17.5878 -17.5532 -17.5528 -14.2332 -14.2327 -14.0663 -14.0656 -13.3510 -13.3509 -13.3247 -13.3246 -11.3122 -11.3116 -11.1722 -11.1714 -3.5328 -3.5201 -3.2143 -3.2134 -1.4611 -1.4194 -1.1843 -1.1661 -0.9734 -0.9295 -0.8477 -0.7967 -0.5678 -0.5384 -0.4169 -0.3781 0.1474 0.1770 0.3874 0.4147 0.4893 0.5266 0.6986 0.7308 1.1510 1.1696 1.3426 1.3616 1.5328 1.5333 1.6321 1.7052 1.9447 1.9667 2.0257 2.1233 2.2164 2.2398 2.2735 2.3858 2.6215 2.6614 2.7371 2.8056 3.2316 3.3078 3.4128 3.4794 3.6318 3.6508 4.0030 4.0038 4.0885 4.0902 4.5196 4.5546 4.6319 4.6857 5.0494 5.0497 5.5427 5.5639 5.6476 5.6558 6.1352 6.1572 6.1819 6.2211 9.6006 9.6241 10.0281 10.0682 11.7552 11.7945 11.8486 11.8581 12.9913 13.0018 13.2131 13.2250 14.1868 14.2192 14.3737 14.3807 k = 0.0000 0.4965 0.3030 ( 5574 PWs) bands (ev): -17.5883 -17.5881 -17.5526 -17.5523 -14.2347 -14.2343 -14.0644 -14.0638 -13.3513 -13.3512 -13.3245 -13.3244 -11.3149 -11.3144 -11.1720 -11.1714 -3.5293 -3.5190 -3.2041 -3.2031 -1.4593 -1.4252 -1.1770 -1.1615 -0.9673 -0.9309 -0.8376 -0.7960 -0.5618 -0.5374 -0.4082 -0.3760 0.1441 0.1698 0.3824 0.4048 0.4891 0.5205 0.6994 0.7263 1.1550 1.1714 1.3434 1.3610 1.5362 1.5369 1.6405 1.7015 1.9466 1.9627 2.0288 2.1134 2.2030 2.2317 2.2713 2.3645 2.6276 2.6485 2.7266 2.7919 3.2337 3.2970 3.4081 3.4632 3.6274 3.6417 4.0044 4.0051 4.0886 4.0895 4.5279 4.5594 4.6317 4.6780 5.0501 5.0501 5.5406 5.5578 5.6473 5.6538 6.1497 6.1682 6.1992 6.2312 9.6225 9.6424 10.0630 10.0970 11.7528 11.7920 11.8324 11.8467 12.9999 13.0084 13.2136 13.2237 14.1861 14.2117 14.3786 14.3853 k = 0.0000 0.4965 0.3181 ( 5570 PWs) bands (ev): -17.5884 -17.5883 -17.5522 -17.5520 -14.2359 -14.2356 -14.0629 -14.0625 -13.3515 -13.3515 -13.3243 -13.3243 -11.3170 -11.3166 -11.1719 -11.1714 -3.5262 -3.5184 -3.1958 -3.1951 -1.4569 -1.4309 -1.1705 -1.1585 -0.9612 -0.9333 -0.8284 -0.7966 -0.5560 -0.5373 -0.4000 -0.3753 0.1426 0.1634 0.3787 0.3960 0.4899 0.5144 0.7008 0.7216 1.1592 1.1726 1.3449 1.3597 1.5390 1.5396 1.6491 1.6964 1.9477 1.9582 2.0342 2.1004 2.1969 2.2239 2.2718 2.3436 2.6307 2.6393 2.7231 2.7791 3.2374 3.2864 3.4062 3.4486 3.6243 3.6346 4.0055 4.0060 4.0886 4.0890 4.5357 4.5618 4.6334 4.6703 5.0505 5.0506 5.5393 5.5524 5.6472 5.6520 6.1616 6.1760 6.2139 6.2382 9.6409 9.6565 10.0924 10.1191 11.7527 11.7899 11.8179 11.8357 13.0075 13.0139 13.2143 13.2222 14.1858 14.2048 14.3831 14.3889 k = 0.0000 0.4965 0.3333 ( 5566 PWs) bands (ev): -17.5885 -17.5884 -17.5519 -17.5517 -14.2367 -14.2365 -14.0618 -14.0615 -13.3517 -13.3516 -13.3242 -13.3241 -11.3185 -11.3183 -11.1718 -11.1714 -3.5236 -3.5183 -3.1898 -3.1892 -1.4538 -1.4363 -1.1651 -1.1569 -0.9555 -0.9365 -0.8200 -0.7987 -0.5508 -0.5381 -0.3927 -0.3759 0.1429 0.1575 0.3766 0.3885 0.4917 0.5085 0.7029 0.7170 1.1634 1.1729 1.3470 1.3578 1.5411 1.5416 1.6579 1.6902 1.9483 1.9542 2.0415 2.0864 2.1961 2.2166 2.2754 2.3242 2.6310 2.6333 2.7259 2.7667 3.2427 3.2762 3.4070 3.4358 3.6224 3.6291 4.0064 4.0067 4.0885 4.0887 4.5430 4.5617 4.6370 4.6628 5.0507 5.0509 5.5391 5.5479 5.6473 5.6505 6.1709 6.1807 6.2257 6.2420 9.6553 9.6660 10.1155 10.1339 11.7552 11.7859 11.8082 11.8256 13.0137 13.0179 13.2152 13.2206 14.1862 14.1988 14.3871 14.3913 k = 0.0000 0.4965 0.3485 ( 5572 PWs) bands (ev): -17.5885 -17.5885 -17.5517 -17.5516 -14.2372 -14.2371 -14.0611 -14.0610 -13.3518 -13.3518 -13.3241 -13.3241 -11.3194 -11.3193 -11.1717 -11.1715 -3.5215 -3.5188 -3.1860 -3.1858 -1.4502 -1.4413 -1.1610 -1.1568 -0.9501 -0.9404 -0.8128 -0.8021 -0.5463 -0.5399 -0.3866 -0.3780 0.1448 0.1524 0.3765 0.3826 0.4946 0.5031 0.7056 0.7128 1.1671 1.1721 1.3496 1.3553 1.5424 1.5427 1.6666 1.6830 1.9487 1.9513 2.0504 2.0730 2.1988 2.2097 2.2824 2.3071 2.6299 2.6301 2.7332 2.7547 3.2494 3.2664 3.4105 3.4251 3.6220 3.6253 4.0069 4.0071 4.0885 4.0885 4.5495 4.5592 4.6422 4.6555 5.0509 5.0510 5.5398 5.5442 5.6477 5.6493 6.1776 6.1825 6.2345 6.2427 9.6652 9.6707 10.1316 10.1411 11.7604 11.7777 11.8066 11.8170 13.0179 13.0200 13.2163 13.2191 14.1876 14.1939 14.3901 14.3923 k = 0.0000 0.4965 0.3636 ( 5582 PWs) bands (ev): -17.5885 -17.5885 -17.5516 -17.5516 -14.2374 -14.2374 -14.0608 -14.0608 -13.3518 -13.3518 -13.3241 -13.3241 -11.3197 -11.3197 -11.1716 -11.1716 -3.5199 -3.5199 -3.1847 -3.1847 -1.4460 -1.4460 -1.1582 -1.1582 -0.9450 -0.9449 -0.8068 -0.8068 -0.5426 -0.5426 -0.3816 -0.3815 0.1480 0.1481 0.3785 0.3786 0.4984 0.4984 0.7089 0.7089 1.1701 1.1701 1.3525 1.3526 1.5429 1.5430 1.6750 1.6751 1.9495 1.9495 2.0609 2.0610 2.2036 2.2036 2.2929 2.2931 2.6292 2.6293 2.7432 2.7433 3.2573 3.2575 3.4165 3.4167 3.6229 3.6229 4.0072 4.0072 4.0884 4.0884 4.5550 4.5551 4.6485 4.6485 5.0510 5.0510 5.5415 5.5415 5.6483 5.6483 6.1814 6.1815 6.2401 6.2402 9.6704 9.6704 10.1402 10.1403 11.7681 11.7683 11.8103 11.8103 13.0201 13.0201 13.2176 13.2176 14.1901 14.1902 14.3918 14.3918 k = 0.5000 0.4964 0.3638 ( 5568 PWs) bands (ev): -17.5576 -17.5576 -17.5273 -17.5273 -14.2268 -14.2268 -14.1140 -14.1140 -13.3915 -13.3915 -13.3436 -13.3436 -11.2601 -11.2601 -11.2534 -11.2534 -3.4510 -3.4510 -3.0427 -3.0427 -1.3424 -1.3424 -1.2710 -1.2710 -1.0290 -1.0290 -0.8852 -0.8851 -0.6241 -0.6240 -0.2725 -0.2724 0.0883 0.0883 0.5009 0.5010 0.5880 0.5881 0.7328 0.7328 0.9240 0.9240 1.1822 1.1823 1.4895 1.4896 1.8605 1.8605 1.9832 1.9832 2.1724 2.1724 2.2489 2.2490 2.5182 2.5183 2.6810 2.6811 2.9306 2.9306 3.0503 3.0503 3.3487 3.3487 3.6673 3.6673 3.8249 3.8249 4.1018 4.1018 4.2033 4.2034 5.1906 5.1906 5.3099 5.3099 5.4113 5.4114 5.7315 5.7315 5.8690 5.8691 5.9896 5.9896 9.4592 9.4592 9.9577 9.9577 12.0596 12.0597 12.4127 12.4128 12.7936 12.7936 13.0630 13.0630 13.9429 13.9430 14.1612 14.1613 k = 0.5000 0.4814 0.3638 ( 5570 PWs) bands (ev): -17.5577 -17.5577 -17.5274 -17.5274 -14.2267 -14.2267 -14.1140 -14.1140 -13.3915 -13.3915 -13.3436 -13.3436 -11.2601 -11.2600 -11.2533 -11.2533 -3.4519 -3.4501 -3.0445 -3.0422 -1.3436 -1.3410 -1.2737 -1.2683 -1.0288 -1.0286 -0.8867 -0.8830 -0.6271 -0.6202 -0.2728 -0.2719 0.0825 0.0940 0.4932 0.5081 0.5821 0.5940 0.7202 0.7454 0.9225 0.9248 1.1769 1.1865 1.4806 1.4970 1.8587 1.8599 1.9695 1.9962 2.1705 2.1752 2.2416 2.2579 2.5165 2.5184 2.6807 2.6842 2.9284 2.9305 3.0514 3.0559 3.3444 3.3493 3.6673 3.6679 3.8244 3.8258 4.0998 4.1057 4.1956 4.2096 5.1823 5.1903 5.3091 5.3107 5.4064 5.4241 5.7279 5.7335 5.8701 5.8710 5.9894 5.9905 9.4580 9.4607 9.9564 9.9578 12.0529 12.0655 12.4072 12.4165 12.7919 12.7965 13.0626 13.0629 13.9411 13.9450 14.1597 14.1625 k = 0.5000 0.4663 0.3638 ( 5570 PWs) bands (ev): -17.5578 -17.5578 -17.5277 -17.5276 -14.2264 -14.2263 -14.1141 -14.1141 -13.3912 -13.3912 -13.3436 -13.3435 -11.2600 -11.2599 -11.2532 -11.2532 -3.4529 -3.4493 -3.0473 -3.0428 -1.3444 -1.3393 -1.2764 -1.2657 -1.0281 -1.0276 -0.8876 -0.8802 -0.6293 -0.6156 -0.2726 -0.2711 0.0767 0.0994 0.4850 0.5144 0.5765 0.5997 0.7078 0.7578 0.9203 0.9248 1.1705 1.1896 1.4704 1.5027 1.8545 1.8570 1.9566 2.0072 2.1689 2.1797 2.2363 2.2678 2.5133 2.5172 2.6832 2.6896 2.9243 2.9284 3.0590 3.0677 3.3365 3.3461 3.6679 3.6690 3.8241 3.8272 4.0995 4.1114 4.1866 4.2142 5.1677 5.1808 5.3083 5.3111 5.4097 5.4424 5.7229 5.7339 5.8739 5.8758 5.9897 5.9920 9.4570 9.4623 9.9539 9.9567 12.0454 12.0705 12.4001 12.4184 12.7913 12.8004 13.0616 13.0624 13.9394 13.9472 14.1580 14.1636 k = 0.5000 0.4513 0.3638 ( 5568 PWs) bands (ev): -17.5580 -17.5580 -17.5281 -17.5280 -14.2258 -14.2257 -14.1142 -14.1142 -13.3908 -13.3908 -13.3435 -13.3433 -11.2598 -11.2597 -11.2530 -11.2530 -3.4540 -3.4485 -3.0513 -3.0445 -1.3449 -1.3374 -1.2790 -1.2632 -1.0268 -1.0261 -0.8878 -0.8770 -0.6307 -0.6102 -0.2720 -0.2701 0.0709 0.1047 0.4765 0.5195 0.5718 0.6046 0.6957 0.7699 0.9174 0.9239 1.1632 1.1917 1.4594 1.5064 1.8480 1.8518 1.9454 2.0153 2.1672 2.1863 2.2331 2.2775 2.5096 2.5153 2.6882 2.6968 2.9190 2.9249 3.0722 3.0846 3.3251 3.3393 3.6693 3.6705 3.8240 3.8292 4.1008 4.1188 4.1765 4.2172 5.1496 5.1641 5.3067 5.3108 5.4203 5.4643 5.7168 5.7329 5.8801 5.8833 5.9908 5.9941 9.4561 9.4642 9.9503 9.9544 12.0370 12.0746 12.3914 12.4184 12.7920 12.8053 13.0602 13.0614 13.9378 13.9496 14.1561 14.1645 k = 0.5000 0.4362 0.3638 ( 5572 PWs) bands (ev): -17.5583 -17.5582 -17.5286 -17.5285 -14.2250 -14.2249 -14.1144 -14.1143 -13.3903 -13.3902 -13.3434 -13.3432 -11.2595 -11.2593 -11.2528 -11.2527 -3.4551 -3.4478 -3.0564 -3.0474 -1.3451 -1.3353 -1.2816 -1.2608 -1.0249 -1.0240 -0.8874 -0.8733 -0.6313 -0.6041 -0.2709 -0.2691 0.0652 0.1096 0.4677 0.5230 0.5687 0.6082 0.6846 0.7816 0.9138 0.9220 1.1551 1.1928 1.4477 1.5080 1.8398 1.8444 1.9364 2.0202 2.1651 2.1948 2.2319 2.2863 2.5060 2.5136 2.6956 2.7050 2.9128 2.9206 3.0902 3.1056 3.3105 3.3291 3.6716 3.6726 3.8238 3.8319 4.1032 4.1277 4.1660 4.2187 5.1296 5.1428 5.3039 5.3095 5.4358 5.4880 5.7102 5.7308 5.8882 5.8931 5.9926 5.9970 9.4555 9.4662 9.9454 9.9509 12.0280 12.0777 12.3811 12.4166 12.7939 12.8111 13.0583 13.0601 13.9363 13.9524 14.1542 14.1651 k = 0.5000 0.4212 0.3638 ( 5584 PWs) bands (ev): -17.5587 -17.5586 -17.5293 -17.5292 -14.2240 -14.2239 -14.1146 -14.1145 -13.3895 -13.3894 -13.3432 -13.3430 -11.2591 -11.2589 -11.2525 -11.2524 -3.4562 -3.4472 -3.0626 -3.0514 -1.3451 -1.3329 -1.2840 -1.2585 -1.0225 -1.0214 -0.8864 -0.8693 -0.6312 -0.5972 -0.2692 -0.2679 0.0596 0.1143 0.4587 0.5244 0.5676 0.6099 0.6748 0.7927 0.9096 0.9192 1.1465 1.1932 1.4358 1.5075 1.8307 1.8350 1.9293 2.0222 2.1624 2.2044 2.2326 2.2935 2.5034 2.5132 2.7050 2.7136 2.9063 2.9159 3.1120 3.1298 3.2929 3.3156 3.6748 3.6751 3.8235 3.8353 4.1055 4.1379 4.1562 4.2186 5.1090 5.1189 5.3001 5.3074 5.4542 5.5121 5.7032 5.7281 5.8979 5.9045 5.9953 6.0006 9.4552 9.4684 9.9394 9.9463 12.0184 12.0797 12.3695 12.4128 12.7970 12.8177 13.0561 13.0584 13.9350 13.9554 14.1521 14.1655 k = 0.5000 0.4062 0.3638 ( 5576 PWs) bands (ev): -17.5591 -17.5590 -17.5301 -17.5300 -14.2228 -14.2227 -14.1148 -14.1147 -13.3886 -13.3886 -13.3430 -13.3427 -11.2586 -11.2585 -11.2521 -11.2520 -3.4574 -3.4466 -3.0698 -3.0565 -1.3447 -1.3305 -1.2863 -1.2564 -1.0196 -1.0184 -0.8848 -0.8650 -0.6303 -0.5896 -0.2668 -0.2668 0.0542 0.1185 0.4497 0.5237 0.5688 0.6088 0.6671 0.8031 0.9049 0.9153 1.1376 1.1928 1.4239 1.5047 1.8218 1.8238 1.9237 2.0218 2.1587 2.2135 2.2356 2.2986 2.5021 2.5147 2.7162 2.7223 2.8996 2.9111 3.1367 3.1561 3.2728 3.2993 3.6783 3.6792 3.8231 3.8395 4.1055 4.1490 4.1493 4.2172 5.0886 5.0941 5.2953 5.3045 5.4738 5.5357 5.6963 5.7252 5.9086 5.9172 5.9990 6.0050 9.4551 9.4707 9.9323 9.9405 12.0081 12.0808 12.3564 12.4071 12.8013 12.8250 13.0535 13.0565 13.9339 13.9588 14.1501 14.1658 k = 0.5000 0.3911 0.3638 ( 5576 PWs) bands (ev): -17.5596 -17.5595 -17.5310 -17.5310 -14.2214 -14.2212 -14.1151 -14.1150 -13.3876 -13.3875 -13.3428 -13.3424 -11.2581 -11.2579 -11.2516 -11.2516 -3.4585 -3.4461 -3.0779 -3.0627 -1.3440 -1.3279 -1.2884 -1.2545 -1.0161 -1.0148 -0.8827 -0.8606 -0.6286 -0.5813 -0.2658 -0.2636 0.0491 0.1223 0.4406 0.5215 0.5716 0.6044 0.6619 0.8125 0.8996 0.9105 1.1289 1.1920 1.4123 1.5000 1.8111 1.8139 1.9191 2.0198 2.1541 2.2199 2.2419 2.3017 2.5020 2.5183 2.7288 2.7309 2.8930 2.9062 3.1635 3.1833 3.2509 3.2806 3.6822 3.6848 3.8225 3.8444 4.1007 4.1480 4.1608 4.2146 5.0689 5.0693 5.2897 5.3010 5.4936 5.5582 5.6896 5.7222 5.9202 5.9306 6.0039 6.0104 9.4552 9.4733 9.9241 9.9337 11.9974 12.0809 12.3420 12.3994 12.8066 12.8328 13.0507 13.0545 13.9330 13.9626 14.1481 14.1660 k = 0.5000 0.3761 0.3638 ( 5574 PWs) bands (ev): -17.5601 -17.5600 -17.5321 -17.5320 -14.2198 -14.2196 -14.1155 -14.1154 -13.3864 -13.3863 -13.3425 -13.3421 -11.2575 -11.2573 -11.2511 -11.2510 -3.4597 -3.4456 -3.0870 -3.0698 -1.3430 -1.3252 -1.2903 -1.2527 -1.0121 -1.0108 -0.8802 -0.8562 -0.6263 -0.5724 -0.2649 -0.2595 0.0444 0.1256 0.4316 0.5185 0.5755 0.5969 0.6589 0.8205 0.8940 0.9051 1.1206 1.1908 1.4014 1.4934 1.7972 1.8075 1.9150 2.0165 2.1482 2.2230 2.2511 2.3030 2.5029 2.5241 2.7394 2.7423 2.8871 2.9014 3.1911 3.2063 3.2319 3.2601 3.6869 3.6917 3.8218 3.8499 4.0913 4.1522 4.1727 4.2114 5.0452 5.0502 5.2836 5.2969 5.5126 5.5791 5.6834 5.7196 5.9324 5.9444 6.0102 6.0167 9.4556 9.4760 9.9148 9.9259 11.9863 12.0800 12.3264 12.3900 12.8129 12.8412 13.0476 13.0524 13.9324 13.9669 14.1461 14.1661 k = 0.5000 0.3610 0.3638 ( 5580 PWs) bands (ev): -17.5607 -17.5606 -17.5333 -17.5332 -14.2180 -14.2178 -14.1159 -14.1158 -13.3851 -13.3850 -13.3422 -13.3418 -11.2569 -11.2566 -11.2506 -11.2505 -3.4608 -3.4451 -3.0969 -3.0779 -1.3418 -1.3226 -1.2920 -1.2512 -1.0077 -1.0064 -0.8773 -0.8518 -0.6233 -0.5629 -0.2641 -0.2547 0.0401 0.1284 0.4227 0.5153 0.5799 0.5873 0.6571 0.8264 0.8882 0.8998 1.1131 1.1892 1.3912 1.4854 1.7825 1.8029 1.9110 2.0123 2.1410 2.2243 2.2617 2.3030 2.5044 2.5313 2.7480 2.7554 2.8825 2.8966 3.1946 3.2157 3.2413 3.2457 3.6927 3.7001 3.8208 3.8560 4.0798 4.1597 4.1835 4.2088 5.0223 5.0329 5.2769 5.2923 5.5305 5.5981 5.6776 5.7173 5.9450 5.9580 6.0181 6.0241 9.4562 9.4789 9.9045 9.9170 11.9748 12.0781 12.3096 12.3788 12.8201 12.8499 13.0445 13.0504 13.9322 13.9715 14.1442 14.1661 k = 0.5000 0.3460 0.3638 ( 5576 PWs) bands (ev): -17.5614 -17.5613 -17.5346 -17.5345 -14.2160 -14.2158 -14.1164 -14.1163 -13.3837 -13.3836 -13.3419 -13.3414 -11.2561 -11.2558 -11.2499 -11.2498 -3.4619 -3.4446 -3.1077 -3.0869 -1.3403 -1.3199 -1.2934 -1.2497 -1.0029 -1.0016 -0.8742 -0.8477 -0.6197 -0.5527 -0.2635 -0.2488 0.0364 0.1307 0.4140 0.5121 0.5764 0.5846 0.6556 0.8292 0.8824 0.8958 1.1065 1.1875 1.3821 1.4762 1.7674 1.8000 1.9070 2.0073 2.1326 2.2246 2.2726 2.3020 2.5063 2.5389 2.7569 2.7666 2.8806 2.8920 3.1686 3.2079 3.2530 3.2717 3.6997 3.7098 3.8196 3.8626 4.0681 4.1690 4.1892 4.2109 5.0009 5.0171 5.2698 5.2874 5.5469 5.6149 5.6726 5.7157 5.9578 5.9711 6.0276 6.0325 9.4572 9.4820 9.8933 9.9073 11.9631 12.0753 12.2918 12.3659 12.8279 12.8588 13.0412 13.0484 13.9324 13.9767 14.1425 14.1662 k = 0.5000 0.3309 0.3638 ( 5586 PWs) bands (ev): -17.5621 -17.5619 -17.5360 -17.5359 -14.2139 -14.2136 -14.1169 -14.1168 -13.3822 -13.3820 -13.3415 -13.3410 -11.2553 -11.2550 -11.2493 -11.2492 -3.4629 -3.4441 -3.1191 -3.0967 -1.3386 -1.3174 -1.2945 -1.2485 -0.9977 -0.9964 -0.8709 -0.8438 -0.6154 -0.5420 -0.2632 -0.2421 0.0333 0.1324 0.4055 0.5092 0.5648 0.5892 0.6537 0.8277 0.8768 0.8943 1.1011 1.1855 1.3741 1.4663 1.7519 1.7985 1.9028 2.0017 2.1231 2.2246 2.2833 2.3003 2.5082 2.5460 2.7663 2.7736 2.8828 2.8876 3.1410 3.1839 3.2787 3.2970 3.7082 3.7206 3.8183 3.8695 4.0574 4.1793 4.1876 4.2201 4.9813 5.0029 5.2624 5.2820 5.5616 5.6296 5.6683 5.7147 5.9706 5.9836 6.0388 6.0418 9.4584 9.4853 9.8811 9.8966 11.9513 12.0716 12.2729 12.3516 12.8364 12.8678 13.0379 13.0464 13.9331 13.9824 14.1408 14.1663 k = 0.5000 0.3159 0.3638 ( 5576 PWs) bands (ev): -17.5628 -17.5626 -17.5375 -17.5374 -14.2116 -14.2113 -14.1176 -14.1174 -13.3805 -13.3804 -13.3412 -13.3406 -11.2545 -11.2541 -11.2486 -11.2484 -3.4638 -3.4435 -3.1312 -3.1072 -1.3366 -1.3149 -1.2952 -1.2475 -0.9922 -0.9909 -0.8675 -0.8404 -0.6106 -0.5308 -0.2633 -0.2344 0.0309 0.1336 0.3973 0.5064 0.5528 0.5938 0.6510 0.8218 0.8717 0.8959 1.0969 1.1833 1.3674 1.4562 1.7365 1.7984 1.8983 1.9956 2.1129 2.2246 2.2937 2.2980 2.5101 2.5516 2.7749 2.7763 2.8836 2.8900 3.1132 3.1584 3.3034 3.3202 3.7181 3.7320 3.8172 3.8768 4.0485 4.1830 4.1902 4.2322 4.9638 4.9904 5.2546 5.2762 5.5745 5.6422 5.6649 5.7145 5.9832 5.9954 6.0514 6.0520 9.4600 9.4887 9.8682 9.8852 11.9395 12.0672 12.2532 12.3358 12.8453 12.8769 13.0345 13.0446 13.9344 13.9885 14.1392 14.1665 k = 0.5000 0.3009 0.3638 ( 5576 PWs) bands (ev): -17.5635 -17.5633 -17.5391 -17.5389 -14.2092 -14.2089 -14.1182 -14.1181 -13.3787 -13.3786 -13.3408 -13.3402 -11.2536 -11.2532 -11.2479 -11.2477 -3.4645 -3.4428 -3.1439 -3.1184 -1.3345 -1.3127 -1.2956 -1.2466 -0.9864 -0.9851 -0.8642 -0.8374 -0.6052 -0.5190 -0.2637 -0.2258 0.0294 0.1341 0.3895 0.5039 0.5406 0.5982 0.6474 0.8126 0.8674 0.8998 1.0941 1.1808 1.3621 1.4460 1.7210 1.7990 1.8933 1.9893 2.1021 2.2249 2.2952 2.3037 2.5119 2.5549 2.7706 2.7865 2.8803 2.9008 3.0865 3.1326 3.3255 3.3406 3.7297 3.7432 3.8169 3.8843 4.0422 4.1781 4.2014 4.2450 4.9483 4.9797 5.2466 5.2702 5.5855 5.6528 5.6624 5.7151 5.9957 6.0065 6.0628 6.0650 9.4618 9.4923 9.8545 9.8730 11.9278 12.0620 12.2326 12.3189 12.8544 12.8857 13.0312 13.0429 13.9363 13.9952 14.1378 14.1668 k = 0.5000 0.2858 0.3638 ( 5568 PWs) bands (ev): -17.5643 -17.5641 -17.5407 -17.5405 -14.2066 -14.2063 -14.1190 -14.1189 -13.3769 -13.3768 -13.3404 -13.3398 -11.2527 -11.2523 -11.2471 -11.2469 -3.4651 -3.4421 -3.1571 -3.1302 -1.3321 -1.3107 -1.2957 -1.2459 -0.9804 -0.9791 -0.8610 -0.8349 -0.5993 -0.5068 -0.2647 -0.2165 0.0287 0.1342 0.3822 0.5013 0.5283 0.6024 0.6427 0.8015 0.8640 0.9053 1.0925 1.1781 1.3583 1.4360 1.7057 1.8001 1.8879 1.9830 2.0913 2.2256 2.2918 2.3130 2.5134 2.5554 2.7619 2.7963 2.8781 2.9121 3.0627 3.1075 3.3445 3.3580 3.7427 3.7527 3.8184 3.8918 4.0391 4.1737 4.2127 4.2578 4.9352 4.9708 5.2384 5.2638 5.5949 5.6608 5.6618 5.7163 6.0078 6.0170 6.0741 6.0791 9.4639 9.4961 9.8402 9.8602 11.9163 12.0562 12.2114 12.3010 12.8637 12.8944 13.0279 13.0412 13.9390 14.0023 14.1364 14.1672 k = 0.5000 0.2708 0.3638 ( 5564 PWs) bands (ev): -17.5650 -17.5648 -17.5424 -17.5422 -14.2040 -14.2037 -14.1199 -14.1197 -13.3750 -13.3749 -13.3401 -13.3394 -11.2517 -11.2513 -11.2463 -11.2462 -3.4655 -3.4412 -3.1706 -3.1425 -1.3296 -1.3090 -1.2954 -1.2454 -0.9742 -0.9729 -0.8580 -0.8330 -0.5929 -0.4942 -0.2661 -0.2064 0.0291 0.1337 0.3753 0.4986 0.5159 0.6062 0.6370 0.7899 0.8619 0.9115 1.0921 1.1751 1.3559 1.4266 1.6905 1.8011 1.8821 1.9769 2.0810 2.2268 2.2877 2.3216 2.5147 2.5531 2.7501 2.8045 2.8775 2.9197 3.0451 3.0838 3.3598 3.3720 3.7569 3.7592 3.8223 3.8992 4.0397 4.1705 4.2241 4.2704 4.9243 4.9638 5.2299 5.2571 5.6027 5.6600 5.6694 5.7181 6.0196 6.0271 6.0857 6.0933 9.4663 9.5000 9.8253 9.8468 11.9052 12.0499 12.1897 12.2822 12.8729 12.9027 13.0247 13.0396 13.9423 14.0098 14.1351 14.1678 k = 0.5000 0.2557 0.3638 ( 5566 PWs) bands (ev): -17.5657 -17.5655 -17.5441 -17.5439 -14.2012 -14.2009 -14.1208 -14.1206 -13.3730 -13.3729 -13.3397 -13.3391 -11.2507 -11.2503 -11.2456 -11.2454 -3.4657 -3.4402 -3.1846 -3.1553 -1.3269 -1.3075 -1.2947 -1.2450 -0.9679 -0.9666 -0.8554 -0.8317 -0.5860 -0.4811 -0.2681 -0.1958 0.0306 0.1329 0.3690 0.4953 0.5035 0.6097 0.6303 0.7788 0.8609 0.9181 1.0928 1.1717 1.3549 1.4177 1.6755 1.8013 1.8761 1.9714 2.0715 2.2283 2.2829 2.3292 2.5155 2.5482 2.7362 2.8097 2.8785 2.9185 3.0379 3.0629 3.3714 3.3828 3.7621 3.7718 3.8286 3.9064 4.0444 4.1691 4.2354 4.2826 4.9157 4.9587 5.2212 5.2501 5.6093 5.6600 5.6759 5.7204 6.0310 6.0368 6.0974 6.1073 9.4690 9.5041 9.8099 9.8329 11.8945 12.0433 12.1676 12.2627 12.8821 12.9106 13.0214 13.0380 13.9463 14.0177 14.1338 14.1684 k = 0.5000 0.2407 0.3638 ( 5556 PWs) bands (ev): -17.5664 -17.5662 -17.5458 -17.5456 -14.1984 -14.1980 -14.1218 -14.1216 -13.3710 -13.3709 -13.3394 -13.3387 -11.2498 -11.2493 -11.2448 -11.2446 -3.4657 -3.4389 -3.1987 -3.1684 -1.3240 -1.3063 -1.2938 -1.2449 -0.9615 -0.9602 -0.8531 -0.8310 -0.5787 -0.4676 -0.2709 -0.1849 0.0333 0.1319 0.3633 0.4910 0.4911 0.6128 0.6229 0.7689 0.8614 0.9250 1.0945 1.1681 1.3552 1.4095 1.6605 1.7999 1.8705 1.9665 2.0633 2.2302 2.2774 2.3357 2.5154 2.5411 2.7208 2.8114 2.8802 2.9072 3.0421 3.0461 3.3795 3.3905 3.7624 3.7870 3.8358 3.9131 4.0534 4.1698 4.2464 4.2943 4.9095 4.9554 5.2124 5.2429 5.6149 5.6607 5.6818 5.7230 6.0419 6.0462 6.1088 6.1206 9.4720 9.5084 9.7941 9.8187 11.8843 12.0365 12.1453 12.2428 12.8911 12.9180 13.0183 13.0363 13.9511 14.0259 14.1326 14.1691 k = 0.5000 0.2256 0.3638 ( 5564 PWs) bands (ev): -17.5671 -17.5669 -17.5476 -17.5474 -14.1955 -14.1951 -14.1230 -14.1228 -13.3690 -13.3689 -13.3391 -13.3384 -11.2488 -11.2483 -11.2440 -11.2438 -3.4653 -3.4375 -3.2131 -3.1818 -1.3211 -1.3052 -1.2928 -1.2450 -0.9551 -0.9538 -0.8512 -0.8308 -0.5708 -0.4537 -0.2743 -0.1741 0.0372 0.1308 0.3582 0.4783 0.4855 0.6148 0.6158 0.7607 0.8631 0.9320 1.0971 1.1641 1.3567 1.4022 1.6456 1.7958 1.8660 1.9627 2.0567 2.2321 2.2711 2.3409 2.5141 2.5323 2.7048 2.8098 2.8803 2.8892 3.0354 3.0540 3.3841 3.3953 3.7614 3.8018 3.8426 3.9190 4.0664 4.1731 4.2572 4.3054 4.9056 4.9541 5.2034 5.2354 5.6197 5.6618 5.6871 5.7258 6.0523 6.0553 6.1198 6.1332 9.4753 9.5128 9.7781 9.8041 11.8749 12.0295 12.1228 12.2227 12.8998 12.9248 13.0151 13.0345 13.9565 14.0345 14.1312 14.1699 k = 0.5000 0.2106 0.3638 ( 5568 PWs) bands (ev): -17.5678 -17.5675 -17.5493 -17.5491 -14.1925 -14.1922 -14.1242 -14.1240 -13.3669 -13.3668 -13.3388 -13.3382 -11.2478 -11.2473 -11.2433 -11.2430 -3.4646 -3.4358 -3.2275 -3.1953 -1.3180 -1.3041 -1.2917 -1.2452 -0.9488 -0.9475 -0.8498 -0.8313 -0.5625 -0.4394 -0.2785 -0.1636 0.0424 0.1300 0.3538 0.4657 0.4782 0.6062 0.6189 0.7548 0.8662 0.9391 1.1003 1.1600 1.3594 1.3958 1.6308 1.7882 1.8634 1.9600 2.0519 2.2338 2.2642 2.3446 2.5107 2.5223 2.6889 2.8059 2.8686 2.8765 3.0321 3.0697 3.3857 3.3974 3.7601 3.8158 3.8480 3.9239 4.0826 4.1790 4.2675 4.3158 4.9040 4.9546 5.1943 5.2278 5.6241 5.6632 5.6922 5.7287 6.0622 6.0641 6.1302 6.1447 9.4788 9.5174 9.7618 9.7894 11.8661 12.0227 12.1004 12.2024 12.9082 12.9311 13.0120 13.0327 13.9626 14.0432 14.1297 14.1707 k = 0.5000 0.1956 0.3638 ( 5576 PWs) bands (ev): -17.5684 -17.5681 -17.5511 -17.5509 -14.1895 -14.1892 -14.1255 -14.1253 -13.3649 -13.3648 -13.3386 -13.3380 -11.2468 -11.2463 -11.2425 -11.2423 -3.4635 -3.4337 -3.2420 -3.2090 -1.3148 -1.3032 -1.2906 -1.2457 -0.9425 -0.9412 -0.8488 -0.8322 -0.5538 -0.4247 -0.2835 -0.1538 0.0489 0.1297 0.3500 0.4531 0.4688 0.5970 0.6223 0.7509 0.8706 0.9462 1.1040 1.1555 1.3629 1.3905 1.6162 1.7767 1.8631 1.9585 2.0489 2.2348 2.2566 2.3470 2.5045 2.5118 2.6742 2.8003 2.8475 2.8685 3.0360 3.0870 3.3846 3.3971 3.7591 3.8287 3.8517 3.9278 4.1014 4.1876 4.2772 4.3254 4.9046 4.9569 5.1850 5.2199 5.6283 5.6647 5.6970 5.7318 6.0717 6.0726 6.1398 6.1551 9.4827 9.5222 9.7456 9.7745 11.8583 12.0159 12.0781 12.1823 12.9162 12.9367 13.0088 13.0306 13.9693 14.0522 14.1281 14.1715 k = 0.5000 0.1805 0.3638 ( 5572 PWs) bands (ev): -17.5689 -17.5686 -17.5528 -17.5526 -14.1865 -14.1861 -14.1269 -14.1267 -13.3628 -13.3627 -13.3384 -13.3378 -11.2458 -11.2453 -11.2418 -11.2416 -3.4621 -3.4314 -3.2564 -3.2227 -1.3115 -1.3022 -1.2896 -1.2464 -0.9362 -0.9349 -0.8484 -0.8336 -0.5446 -0.4097 -0.2894 -0.1454 0.0567 0.1303 0.3468 0.4407 0.4572 0.5874 0.6265 0.7490 0.8763 0.9536 1.1080 1.1508 1.3674 1.3863 1.6019 1.7617 1.8650 1.9584 2.0475 2.2347 2.2485 2.3480 2.4947 2.5014 2.6617 2.7935 2.8272 2.8573 3.0455 3.1047 3.3813 3.3948 3.7589 3.8403 3.8538 3.9304 4.1216 4.1985 4.2862 4.3342 4.9073 4.9610 5.1757 5.2118 5.6322 5.6664 5.7017 5.7349 6.0808 6.0808 6.1484 6.1642 9.4868 9.5271 9.7293 9.7597 11.8514 12.0096 12.0563 12.1625 12.9238 12.9418 13.0058 13.0284 13.9766 14.0612 14.1263 14.1721 k = 0.5000 0.1655 0.3638 ( 5572 PWs) bands (ev): -17.5694 -17.5691 -17.5545 -17.5543 -14.1835 -14.1831 -14.1284 -14.1282 -13.3608 -13.3607 -13.3383 -13.3377 -11.2449 -11.2444 -11.2412 -11.2409 -3.4601 -3.4286 -3.2706 -3.2363 -1.3081 -1.3011 -1.2887 -1.2473 -0.9302 -0.9289 -0.8484 -0.8355 -0.5350 -0.3944 -0.2960 -0.1386 0.0659 0.1323 0.3440 0.4287 0.4436 0.5774 0.6316 0.7486 0.8833 0.9612 1.1118 1.1456 1.3725 1.3835 1.5878 1.7439 1.8686 1.9597 2.0476 2.2328 2.2401 2.3483 2.4807 2.4913 2.6523 2.7860 2.8080 2.8445 3.0587 3.1223 3.3759 3.3907 3.7596 3.8507 3.8545 3.9319 4.1426 4.2113 4.2945 4.3419 4.9121 4.9668 5.1661 5.2036 5.6361 5.6680 5.7063 5.7379 6.0888 6.0895 6.1560 6.1719 9.4912 9.5322 9.7132 9.7449 11.8455 12.0036 12.0349 12.1432 12.9310 12.9463 13.0027 13.0260 13.9843 14.0702 14.1242 14.1726 k = 0.5000 0.1504 0.3638 ( 5568 PWs) bands (ev): -17.5698 -17.5695 -17.5562 -17.5559 -14.1804 -14.1800 -14.1300 -14.1298 -13.3588 -13.3587 -13.3383 -13.3377 -11.2439 -11.2435 -11.2406 -11.2403 -3.4578 -3.4255 -3.2847 -3.2499 -1.3047 -1.3001 -1.2880 -1.2484 -0.9242 -0.9230 -0.8490 -0.8378 -0.5249 -0.3787 -0.3035 -0.1341 0.0763 0.1359 0.3414 0.4175 0.4281 0.5668 0.6377 0.7491 0.8916 0.9690 1.1152 1.1400 1.3782 1.3823 1.5742 1.7240 1.8738 1.9624 2.0486 2.2283 2.2317 2.3483 2.4627 2.4819 2.6462 2.7780 2.7902 2.8315 3.0741 3.1395 3.3689 3.3851 3.7612 3.8539 3.8598 3.9325 4.1636 4.2254 4.3018 4.3486 4.9187 4.9742 5.1565 5.1951 5.6399 5.6696 5.7107 5.7409 6.0967 6.0978 6.1624 6.1782 9.4960 9.5375 9.6974 9.7303 11.8407 11.9983 12.0141 12.1245 12.9378 12.9503 12.9998 13.0233 13.9924 14.0792 14.1217 14.1729 k = 0.5000 0.1354 0.3638 ( 5572 PWs) bands (ev): -17.5701 -17.5698 -17.5578 -17.5575 -14.1773 -14.1769 -14.1317 -14.1315 -13.3568 -13.3568 -13.3383 -13.3377 -11.2431 -11.2426 -11.2400 -11.2397 -3.4549 -3.4219 -3.2985 -3.2632 -1.3012 -1.2990 -1.2874 -1.2497 -0.9184 -0.9172 -0.8500 -0.8404 -0.5145 -0.3628 -0.3117 -0.1321 0.0879 0.1413 0.3384 0.4078 0.4111 0.5556 0.6447 0.7501 0.9011 0.9773 1.1178 1.1336 1.3830 1.3846 1.5611 1.7025 1.8804 1.9666 2.0502 2.2209 2.2234 2.3488 2.4414 2.4733 2.6431 2.7700 2.7738 2.8190 3.0908 3.1562 3.3604 3.3782 3.7637 3.8523 3.8679 3.9322 4.1840 4.2402 4.3081 4.3542 4.9270 4.9830 5.1466 5.1864 5.6437 5.6710 5.7151 5.7437 6.1044 6.1057 6.1677 6.1831 9.5011 9.5431 9.6818 9.7160 11.8370 11.9936 11.9940 12.1065 12.9441 12.9538 12.9968 13.0205 14.0008 14.0881 14.1190 14.1728 k = 0.5000 0.1203 0.3638 ( 5576 PWs) bands (ev): -17.5703 -17.5700 -17.5593 -17.5590 -14.1743 -14.1739 -14.1335 -14.1333 -13.3549 -13.3549 -13.3384 -13.3379 -11.2423 -11.2418 -11.2395 -11.2392 -3.4514 -3.4178 -3.3119 -3.2762 -1.2979 -1.2977 -1.2870 -1.2513 -0.9129 -0.9117 -0.8515 -0.8433 -0.5037 -0.3465 -0.3206 -0.1328 0.1007 0.1488 0.3345 0.3930 0.4002 0.5439 0.6527 0.7511 0.9118 0.9860 1.1192 1.1263 1.3857 1.3914 1.5485 1.6797 1.8884 1.9722 2.0516 2.2103 2.2160 2.3504 2.4179 2.4652 2.6424 2.7588 2.7623 2.8072 3.1081 3.1723 3.3507 3.3702 3.7671 3.8499 3.8750 3.9312 4.2034 4.2553 4.3133 4.3586 4.9369 4.9930 5.1365 5.1775 5.6474 5.6722 5.7193 5.7461 6.1121 6.1134 6.1717 6.1865 9.5065 9.5488 9.6667 9.7021 11.8345 11.9748 11.9897 12.0895 12.9501 12.9569 12.9940 13.0175 14.0093 14.0967 14.1158 14.1724 k = 0.5000 0.1053 0.3638 ( 5568 PWs) bands (ev): -17.5704 -17.5702 -17.5608 -17.5605 -14.1713 -14.1709 -14.1354 -14.1352 -13.3531 -13.3531 -13.3386 -13.3381 -11.2415 -11.2410 -11.2391 -11.2387 -3.4474 -3.4132 -3.3250 -3.2890 -1.2967 -1.2942 -1.2868 -1.2530 -0.9075 -0.9063 -0.8533 -0.8465 -0.4926 -0.3301 -0.3301 -0.1361 0.1146 0.1580 0.3288 0.3740 0.3956 0.5316 0.6613 0.7516 0.9237 0.9952 1.1180 1.1192 1.3908 1.3988 1.5365 1.6562 1.8977 1.9793 2.0522 2.1967 2.2097 2.3534 2.3932 2.4575 2.6436 2.7451 2.7553 2.7964 3.1257 3.1879 3.3400 3.3614 3.7712 3.8466 3.8813 3.9297 4.2216 4.2701 4.3173 4.3618 4.9480 5.0041 5.1261 5.1684 5.6510 5.6732 5.7234 5.7482 6.1197 6.1208 6.1745 6.1884 9.5123 9.5549 9.6521 9.6885 11.8332 11.9566 11.9867 12.0736 12.9558 12.9597 12.9912 13.0143 14.0180 14.1051 14.1122 14.1716 k = 0.5000 0.0903 0.3638 ( 5568 PWs) bands (ev): -17.5705 -17.5702 -17.5621 -17.5619 -14.1683 -14.1679 -14.1375 -14.1372 -13.3514 -13.3513 -13.3389 -13.3385 -11.2408 -11.2403 -11.2387 -11.2384 -3.4428 -3.4081 -3.3376 -3.3013 -1.2956 -1.2907 -1.2867 -1.2550 -0.9022 -0.9011 -0.8556 -0.8499 -0.4812 -0.3402 -0.3134 -0.1420 0.1294 0.1689 0.3210 0.3544 0.3944 0.5187 0.6705 0.7513 0.9367 1.0051 1.1085 1.1174 1.3983 1.4067 1.5250 1.6321 1.9085 1.9878 2.0512 2.1807 2.2055 2.3577 2.3682 2.4499 2.6460 2.7326 2.7495 2.7864 3.1434 3.2030 3.3283 3.3518 3.7759 3.8428 3.8870 3.9278 4.2384 4.2842 4.3199 4.3637 4.9602 5.0160 5.1154 5.1589 5.6545 5.6740 5.7275 5.7498 6.1272 6.1280 6.1761 6.1891 9.5186 9.5613 9.6380 9.6754 11.8333 11.9394 11.9847 12.0588 12.9611 12.9622 12.9885 13.0110 14.0266 14.1082 14.1131 14.1704 k = 0.5000 0.0752 0.3638 ( 5546 PWs) bands (ev): -17.5704 -17.5701 -17.5634 -17.5631 -14.1653 -14.1650 -14.1396 -14.1393 -13.3497 -13.3496 -13.3394 -13.3389 -11.2402 -11.2397 -11.2384 -11.2380 -3.4376 -3.4024 -3.3497 -3.3133 -1.2944 -1.2872 -1.2868 -1.2571 -0.8972 -0.8961 -0.8581 -0.8534 -0.4695 -0.3508 -0.2967 -0.1502 0.1452 0.1811 0.3114 0.3345 0.3964 0.5054 0.6800 0.7499 0.9506 1.0155 1.0978 1.1138 1.4084 1.4151 1.5140 1.6078 1.9205 1.9979 2.0478 2.1630 2.2039 2.3436 2.3632 2.4422 2.6495 2.7212 2.7451 2.7773 3.1609 3.2175 3.3158 3.3417 3.7811 3.8384 3.8920 3.9257 4.2537 4.2976 4.3213 4.3642 4.9732 5.0285 5.1043 5.1490 5.6578 5.6744 5.7313 5.7508 6.1347 6.1348 6.1765 6.1884 9.5253 9.5681 9.6245 9.6628 11.8346 11.9233 11.9838 12.0452 12.9644 12.9662 12.9859 13.0075 14.0352 14.1038 14.1208 14.1686 k = 0.5000 0.0602 0.3638 ( 5548 PWs) bands (ev): -17.5702 -17.5699 -17.5646 -17.5643 -14.1624 -14.1621 -14.1418 -14.1415 -13.3482 -13.3481 -13.3399 -13.3394 -11.2396 -11.2392 -11.2382 -11.2378 -3.4317 -3.3962 -3.3613 -3.3247 -1.2933 -1.2871 -1.2837 -1.2595 -0.8924 -0.8913 -0.8610 -0.8571 -0.4577 -0.3619 -0.2799 -0.1604 0.1618 0.1941 0.3004 0.3144 0.4011 0.4918 0.6896 0.7474 0.9653 1.0265 1.0858 1.1084 1.4209 1.4240 1.5033 1.5835 1.9337 2.0094 2.0417 2.1442 2.2054 2.3200 2.3696 2.4343 2.6538 2.7108 2.7421 2.7691 3.1782 3.2316 3.3026 3.3309 3.7867 3.8335 3.8966 3.9232 4.2674 4.3099 4.3212 4.3635 4.9867 5.0413 5.0928 5.1387 5.6609 5.6744 5.7350 5.7512 6.1414 6.1421 6.1758 6.1865 9.5325 9.5752 9.6116 9.6508 11.8373 11.9084 11.9840 12.0329 12.9665 12.9710 12.9834 13.0039 14.0436 14.0988 14.1280 14.1664 k = 0.5000 0.0451 0.3638 ( 5548 PWs) bands (ev): -17.5699 -17.5696 -17.5657 -17.5654 -14.1596 -14.1592 -14.1441 -14.1437 -13.3468 -13.3466 -13.3405 -13.3401 -11.2391 -11.2387 -11.2381 -11.2377 -3.4252 -3.3893 -3.3723 -3.3357 -1.2923 -1.2875 -1.2803 -1.2621 -0.8878 -0.8866 -0.8642 -0.8610 -0.4456 -0.3733 -0.2632 -0.1722 0.1792 0.2077 0.2885 0.2942 0.4081 0.4781 0.6991 0.7436 0.9807 1.0378 1.0727 1.1013 1.4332 1.4357 1.4929 1.5595 1.9479 2.0223 2.0328 2.1250 2.2103 2.2979 2.3768 2.4263 2.6588 2.7012 2.7408 2.7617 3.1952 3.2453 3.2887 3.3198 3.7926 3.8283 3.9008 3.9206 4.2795 4.3197 4.3211 4.3614 5.0006 5.0544 5.0808 5.1280 5.6637 5.6740 5.7384 5.7510 6.1477 6.1493 6.1741 6.1835 9.5402 9.5828 9.5994 9.6394 11.8414 11.8948 11.9854 12.0220 12.9685 12.9756 12.9810 13.0002 14.0518 14.0934 14.1347 14.1636 k = 0.5000 0.0301 0.3638 ( 5556 PWs) bands (ev): -17.5695 -17.5692 -17.5667 -17.5664 -14.1568 -14.1565 -14.1464 -14.1461 -13.3454 -13.3452 -13.3413 -13.3409 -11.2387 -11.2383 -11.2380 -11.2376 -3.4180 -3.3827 -3.3819 -3.3461 -1.2913 -1.2880 -1.2770 -1.2648 -0.8833 -0.8820 -0.8676 -0.8650 -0.4335 -0.3851 -0.2467 -0.1854 0.1972 0.2216 0.2742 0.2759 0.4169 0.4646 0.7084 0.7386 0.9964 1.0494 1.0585 1.0927 1.4428 1.4526 1.4827 1.5360 1.9629 2.0214 2.0367 2.1059 2.2184 2.2775 2.3846 2.4179 2.6643 2.6925 2.7409 2.7553 3.2118 3.2586 3.2743 3.3082 3.7986 3.8227 3.9047 3.9178 4.2901 4.3168 4.3311 4.3580 5.0146 5.0674 5.0684 5.1167 5.6663 5.6732 5.7416 5.7502 6.1535 6.1563 6.1715 6.1795 9.5485 9.5879 9.5909 9.6285 11.8469 11.8825 11.9881 12.0124 12.9705 12.9787 12.9800 12.9964 14.0597 14.0875 14.1409 14.1602 k = 0.5000 0.0150 0.3638 ( 5566 PWs) bands (ev): -17.5690 -17.5687 -17.5676 -17.5673 -14.1541 -14.1538 -14.1489 -14.1486 -13.3442 -13.3440 -13.3421 -13.3418 -11.2384 -11.2381 -11.2380 -11.2377 -3.4102 -3.3925 -3.3739 -3.3559 -1.2903 -1.2887 -1.2738 -1.2676 -0.8791 -0.8776 -0.8712 -0.8691 -0.4213 -0.3970 -0.2305 -0.1996 0.2158 0.2355 0.2544 0.2627 0.4273 0.4514 0.7171 0.7324 1.0123 1.0436 1.0610 1.0829 1.4526 1.4714 1.4726 1.5134 1.9782 2.0080 2.0524 2.0872 2.2294 2.2592 2.3927 2.4095 2.6705 2.6845 2.7426 2.7499 3.2281 3.2594 3.2715 3.2963 3.8048 3.8169 3.9083 3.9148 4.2990 4.3124 4.3397 4.3532 5.0285 5.0554 5.0803 5.1050 5.6686 5.6720 5.7444 5.7488 6.1589 6.1629 6.1680 6.1746 9.5574 9.5770 9.5994 9.6182 11.8537 11.8715 11.9921 12.0042 12.9724 12.9765 12.9843 12.9924 14.0672 14.0812 14.1466 14.1562 k = 0.5000-0.0000 0.3638 ( 5568 PWs) bands (ev): -17.5683 -17.5683 -17.5680 -17.5680 -14.1515 -14.1515 -14.1511 -14.1511 -13.3431 -13.3431 -13.3428 -13.3428 -11.2382 -11.2382 -11.2378 -11.2378 -3.4017 -3.4017 -3.3652 -3.3652 -1.2895 -1.2895 -1.2706 -1.2706 -0.8750 -0.8750 -0.8733 -0.8733 -0.4091 -0.4091 -0.2147 -0.2147 0.2349 0.2349 0.2493 0.2493 0.4389 0.4389 0.7252 0.7252 1.0281 1.0281 1.0722 1.0722 1.4625 1.4625 1.4917 1.4917 1.9934 1.9934 2.0693 2.0693 2.2431 2.2431 2.4011 2.4011 2.6772 2.6772 2.7456 2.7456 3.2440 3.2440 3.2841 3.2841 3.8109 3.8109 3.9117 3.9117 4.3065 4.3065 4.3471 4.3471 5.0421 5.0421 5.0928 5.0928 5.6705 5.6705 5.7468 5.7468 6.1638 6.1638 6.1691 6.1691 9.5669 9.5669 9.6086 9.6086 11.8619 11.8619 11.9974 11.9974 12.9744 12.9744 12.9884 12.9884 14.0744 14.0744 14.1517 14.1517 k = 0.5000-0.0000 0.3638 ( 5568 PWs) bands (ev): -17.5683 -17.5683 -17.5680 -17.5680 -14.1515 -14.1515 -14.1511 -14.1511 -13.3431 -13.3431 -13.3428 -13.3428 -11.2382 -11.2382 -11.2378 -11.2378 -3.4017 -3.4017 -3.3652 -3.3652 -1.2895 -1.2895 -1.2706 -1.2706 -0.8750 -0.8750 -0.8733 -0.8733 -0.4091 -0.4091 -0.2147 -0.2147 0.2349 0.2349 0.2493 0.2493 0.4389 0.4389 0.7252 0.7252 1.0281 1.0281 1.0722 1.0722 1.4625 1.4625 1.4917 1.4917 1.9934 1.9934 2.0693 2.0693 2.2431 2.2431 2.4011 2.4011 2.6772 2.6772 2.7456 2.7456 3.2440 3.2440 3.2841 3.2841 3.8109 3.8109 3.9117 3.9117 4.3065 4.3065 4.3471 4.3471 5.0421 5.0421 5.0928 5.0928 5.6705 5.6705 5.7468 5.7468 6.1638 6.1638 6.1691 6.1691 9.5669 9.5669 9.6086 9.6086 11.8619 11.8619 11.9974 11.9974 12.9744 12.9744 12.9884 12.9884 14.0744 14.0744 14.1517 14.1517 k = 0.5000-0.0000 0.3486 ( 5568 PWs) bands (ev): -17.5703 -17.5700 -17.5664 -17.5661 -14.1571 -14.1568 -14.1458 -14.1455 -13.3438 -13.3435 -13.3424 -13.3421 -11.2392 -11.2387 -11.2369 -11.2366 -3.4091 -3.3952 -3.3747 -3.3567 -1.2960 -1.2847 -1.2730 -1.2702 -0.8931 -0.8860 -0.8611 -0.8581 -0.4238 -0.3941 -0.2314 -0.1995 0.2189 0.2261 0.2521 0.2727 0.4352 0.4440 0.7143 0.7349 1.0165 1.0419 1.0660 1.0799 1.4504 1.4767 1.4774 1.5078 1.9766 2.0106 2.0587 2.0791 2.2314 2.2574 2.3888 2.4140 2.6614 2.6935 2.7413 2.7497 3.2322 3.2582 3.2707 3.2985 3.7981 3.8239 3.9049 3.9186 4.3015 4.3104 4.3438 4.3499 5.0341 5.0508 5.0887 5.0976 5.6685 5.6717 5.7403 5.7524 6.1582 6.1648 6.1685 6.1727 9.5405 9.5863 9.5893 9.6208 11.8519 11.8761 11.9892 12.0097 12.9405 12.9539 13.0063 13.0203 14.0580 14.0910 14.1349 14.1683 k = 0.5000-0.0000 0.3335 ( 5566 PWs) bands (ev): -17.5723 -17.5720 -17.5645 -17.5642 -14.1628 -14.1624 -14.1402 -14.1399 -13.3445 -13.3442 -13.3417 -13.3414 -11.2399 -11.2392 -11.2354 -11.2352 -3.4172 -3.3895 -3.3850 -3.3493 -1.3042 -1.2820 -1.2771 -1.2718 -0.9120 -0.8991 -0.8496 -0.8426 -0.4379 -0.3787 -0.2493 -0.1862 0.2042 0.2044 0.2703 0.2951 0.4329 0.4508 0.7024 0.7431 1.0074 1.0577 1.0614 1.0886 1.4403 1.4653 1.4929 1.5251 1.9604 2.0276 2.0478 2.0876 2.2223 2.2743 2.3777 2.4273 2.6463 2.7106 2.7368 2.7534 3.2228 3.2587 3.2749 3.3139 3.7859 3.8372 3.8985 3.9259 4.2955 4.3133 4.3399 4.3520 5.0270 5.0602 5.0854 5.1031 5.6658 5.6722 5.7330 5.7568 6.1519 6.1601 6.1724 6.1757 9.5076 9.5632 9.5985 9.6260 11.8462 11.8943 11.9849 12.0257 12.9047 12.9170 13.0358 13.0494 14.0418 14.1078 14.1179 14.1848 k = 0.5000-0.0000 0.3183 ( 5562 PWs) bands (ev): -17.5743 -17.5740 -17.5626 -17.5624 -14.1684 -14.1679 -14.1347 -14.1344 -13.3451 -13.3449 -13.3410 -13.3407 -11.2404 -11.2396 -11.2336 -11.2336 -3.4262 -3.3963 -3.3847 -3.3429 -1.3138 -1.2828 -1.2812 -1.2753 -0.9313 -0.9126 -0.8387 -0.8286 -0.4515 -0.3632 -0.2680 -0.1751 0.1852 0.1907 0.2895 0.3149 0.4319 0.4598 0.6900 0.7496 1.0009 1.0586 1.0751 1.0978 1.4323 1.4558 1.5112 1.5430 1.9453 2.0369 2.0441 2.0942 2.2158 2.2937 2.3680 2.4403 2.6320 2.7284 2.7326 2.7572 3.2158 3.2482 3.2939 3.3299 3.7742 3.8506 3.8925 3.9333 4.2885 4.3154 4.3354 4.3536 5.0207 5.0700 5.0829 5.1091 5.6624 5.6720 5.7249 5.7599 6.1451 6.1550 6.1752 6.1780 9.4689 9.5306 9.6034 9.6243 11.8448 11.9160 11.9844 12.0454 12.8675 12.8781 13.0629 13.0756 14.0258 14.1008 14.1248 14.2013 k = 0.5000-0.0000 0.3032 ( 5566 PWs) bands (ev): -17.5763 -17.5760 -17.5608 -17.5606 -14.1739 -14.1734 -14.1292 -14.1290 -13.3457 -13.3455 -13.3403 -13.3400 -11.2405 -11.2396 -11.2316 -11.2315 -3.4359 -3.4083 -3.3808 -3.3375 -1.3247 -1.2902 -1.2824 -1.2808 -0.9508 -0.9264 -0.8287 -0.8162 -0.4646 -0.3475 -0.2871 -0.1665 0.1693 0.1786 0.3095 0.3310 0.4323 0.4714 0.6772 0.7543 0.9969 1.0576 1.0937 1.1073 1.4264 1.4492 1.5315 1.5608 1.9317 2.0263 2.0598 2.0984 2.2116 2.3149 2.3600 2.4524 2.6189 2.7292 2.7473 2.7619 3.2107 3.2395 3.3149 3.3464 3.7634 3.8640 3.8869 3.9409 4.2802 4.3165 4.3304 4.3545 5.0152 5.0803 5.0812 5.1155 5.6582 5.6708 5.7161 5.7615 6.1378 6.1497 6.1771 6.1795 9.4249 9.4920 9.6011 9.6161 11.8476 11.9409 11.9874 12.0683 12.8292 12.8375 13.0873 13.0990 14.0098 14.0833 14.1420 14.2177 k = 0.5000-0.0000 0.2880 ( 5558 PWs) bands (ev): -17.5783 -17.5779 -17.5590 -17.5588 -14.1793 -14.1788 -14.1238 -14.1237 -13.3463 -13.3461 -13.3396 -13.3393 -11.2404 -11.2394 -11.2295 -11.2293 -3.4463 -3.4209 -3.3776 -3.3333 -1.3367 -1.2990 -1.2881 -1.2855 -0.9699 -0.9403 -0.8195 -0.8055 -0.4771 -0.3320 -0.3066 -0.1605 0.1571 0.1678 0.3301 0.3428 0.4338 0.4857 0.6646 0.7570 0.9953 1.0587 1.1130 1.1163 1.4228 1.4458 1.5535 1.5777 1.9200 2.0161 2.0744 2.0997 2.2097 2.3370 2.3539 2.4626 2.6078 2.7270 2.7676 2.7683 3.2075 3.2328 3.3377 3.3630 3.7535 3.8773 3.8819 3.9486 4.2708 4.3169 4.3248 4.3548 5.0107 5.0804 5.0909 5.1222 5.6532 5.6688 5.7068 5.7614 6.1303 6.1443 6.1779 6.1802 9.3766 9.4482 9.5920 9.6018 11.8541 11.9682 11.9934 12.0938 12.7904 12.7956 13.1090 13.1194 13.9939 14.0657 14.1594 14.2341 k = 0.5000-0.0000 0.2728 ( 5562 PWs) bands (ev): -17.5802 -17.5799 -17.5573 -17.5571 -14.1846 -14.1841 -14.1186 -14.1185 -13.3469 -13.3467 -13.3389 -13.3386 -11.2400 -11.2389 -11.2272 -11.2269 -3.4572 -3.4342 -3.3753 -3.3301 -1.3494 -1.3091 -1.2972 -1.2906 -0.9883 -0.9543 -0.8111 -0.7964 -0.4889 -0.3261 -0.3168 -0.1571 0.1486 0.1583 0.3508 0.3509 0.4362 0.5022 0.6522 0.7579 0.9961 1.0615 1.1246 1.1324 1.4214 1.4455 1.5772 1.5929 1.9106 2.0065 2.0877 2.0978 2.2101 2.3497 2.3586 2.4703 2.5999 2.7265 2.7777 2.7897 3.2056 3.2285 3.3618 3.3794 3.7449 3.8775 3.8906 3.9563 4.2602 4.3165 4.3187 4.3545 5.0071 5.0805 5.1017 5.1291 5.6473 5.6658 5.6970 5.7594 6.1228 6.1391 6.1776 6.1801 9.3247 9.3998 9.5765 9.5819 11.8638 11.9976 12.0021 12.1213 12.7515 12.7532 13.1281 13.1372 13.9781 14.0478 14.1770 14.2506 k = 0.5000-0.0000 0.2577 ( 5574 PWs) bands (ev): -17.5822 -17.5818 -17.5557 -17.5555 -14.1897 -14.1892 -14.1135 -14.1134 -13.3475 -13.3473 -13.3382 -13.3379 -11.2394 -11.2382 -11.2247 -11.2243 -3.4687 -3.4479 -3.3736 -3.3280 -1.3627 -1.3204 -1.3078 -1.2974 -1.0059 -0.9683 -0.8036 -0.7887 -0.5002 -0.3454 -0.3019 -0.1558 0.1435 0.1500 0.3560 0.3718 0.4392 0.5200 0.6404 0.7569 0.9989 1.0662 1.1319 1.1514 1.4225 1.4482 1.6019 1.6059 1.9038 1.9976 2.0925 2.0993 2.2125 2.3474 2.3779 2.4749 2.5967 2.7279 2.7911 2.8138 3.2049 3.2266 3.3868 3.3954 3.7379 3.8741 3.9036 3.9641 4.2483 4.3120 4.3154 4.3536 5.0045 5.0814 5.1124 5.1361 5.6403 5.6619 5.6867 5.7553 6.1155 6.1341 6.1764 6.1793 9.2702 9.3476 9.5553 9.5573 11.8761 12.0129 12.0284 12.1501 12.7107 12.7130 13.1446 13.1522 13.9623 14.0297 14.1947 14.2670 k = 0.5000-0.0000 0.2425 ( 5586 PWs) bands (ev): -17.5841 -17.5837 -17.5541 -17.5540 -14.1947 -14.1942 -14.1086 -14.1085 -13.3480 -13.3479 -13.3375 -13.3372 -11.2386 -11.2374 -11.2220 -11.2215 -3.4806 -3.4619 -3.3726 -3.3269 -1.3763 -1.3329 -1.3194 -1.3057 -1.0223 -0.9821 -0.7971 -0.7824 -0.5108 -0.3645 -0.2877 -0.1562 0.1413 0.1429 0.3595 0.3924 0.4427 0.5381 0.6295 0.7543 1.0035 1.0725 1.1379 1.1695 1.4260 1.4538 1.6162 1.6272 1.8995 1.9895 2.0840 2.1091 2.2167 2.3466 2.3925 2.4761 2.6001 2.7316 2.8090 2.8403 3.2051 3.2276 3.4106 3.4123 3.7330 3.8720 3.9163 3.9718 4.2351 4.3048 4.3136 4.3520 5.0028 5.0830 5.1231 5.1431 5.6322 5.6570 5.6759 5.7489 6.1086 6.1295 6.1742 6.1777 9.2137 9.2925 9.5285 9.5292 11.8904 12.0253 12.0600 12.1791 12.6691 12.6757 13.1587 13.1649 13.9466 14.0115 14.2124 14.2834 k = 0.5000-0.0000 0.2274 ( 5584 PWs) bands (ev): -17.5859 -17.5856 -17.5527 -17.5525 -14.1995 -14.1990 -14.1039 -14.1039 -13.3485 -13.3484 -13.3369 -13.3366 -11.2376 -11.2363 -11.2193 -11.2187 -3.4927 -3.4760 -3.3722 -3.3268 -1.3900 -1.3464 -1.3317 -1.3153 -1.0374 -0.9958 -0.7913 -0.7773 -0.5207 -0.3831 -0.2741 -0.1577 0.1369 0.1412 0.3622 0.4123 0.4465 0.5559 0.6197 0.7502 1.0094 1.0802 1.1428 1.1865 1.4320 1.4618 1.6237 1.6521 1.8977 1.9822 2.0728 2.1165 2.2226 2.3471 2.4010 2.4743 2.6114 2.7381 2.8316 2.8693 3.2059 3.2318 3.4245 3.4375 3.7307 3.8714 3.9287 3.9793 4.2206 4.2970 4.3112 4.3496 5.0022 5.0854 5.1334 5.1499 5.6226 5.6512 5.6647 5.7401 6.1024 6.1254 6.1712 6.1755 9.1563 9.2354 9.4963 9.4989 11.9061 12.0388 12.0917 12.2074 12.6293 12.6403 13.1704 13.1753 13.9309 13.9931 14.2302 14.2997 k = 0.5000-0.0000 0.2122 ( 5576 PWs) bands (ev): -17.5877 -17.5874 -17.5513 -17.5512 -14.2041 -14.2036 -14.0994 -14.0994 -13.3489 -13.3488 -13.3363 -13.3359 -11.2364 -11.2351 -11.2165 -11.2158 -3.5050 -3.4903 -3.3723 -3.3275 -1.4036 -1.3608 -1.3443 -1.3259 -1.0513 -1.0092 -0.7864 -0.7733 -0.5299 -0.4012 -0.2613 -0.1597 0.1320 0.1424 0.3647 0.4309 0.4508 0.5730 0.6114 0.7448 1.0165 1.0892 1.1465 1.2019 1.4406 1.4716 1.6287 1.6757 1.8980 1.9758 2.0593 2.1214 2.2295 2.3482 2.4037 2.4698 2.6303 2.7476 2.8586 2.9007 3.2072 3.2396 3.4368 3.4617 3.7314 3.8731 3.9406 3.9865 4.2048 4.2887 4.3082 4.3464 5.0025 5.0885 5.1432 5.1565 5.6116 5.6445 5.6532 5.7288 6.0969 6.1220 6.1674 6.1726 9.0987 9.1771 9.4616 9.4655 11.9223 12.0529 12.1228 12.2335 12.5928 12.6074 13.1800 13.1838 13.9153 13.9747 14.2478 14.3157 k = 0.5000-0.0000 0.1970 ( 5568 PWs) bands (ev): -17.5894 -17.5891 -17.5500 -17.5499 -14.2085 -14.2080 -14.0951 -14.0951 -13.3493 -13.3493 -13.3356 -13.3353 -11.2351 -11.2338 -11.2136 -11.2130 -3.5173 -3.5044 -3.3728 -3.3291 -1.4170 -1.3758 -1.3567 -1.3373 -1.0639 -1.0223 -0.7823 -0.7701 -0.5384 -0.4187 -0.2494 -0.1619 0.1279 0.1442 0.3674 0.4478 0.4557 0.5890 0.6050 0.7381 1.0244 1.0991 1.1496 1.2158 1.4516 1.4826 1.6318 1.6971 1.8999 1.9701 2.0441 2.1235 2.2371 2.3498 2.4021 2.4634 2.6549 2.7604 2.8892 2.9338 3.2090 3.2512 3.4472 3.4839 3.7358 3.8775 3.9518 3.9933 4.1877 4.2798 4.3046 4.3423 5.0038 5.0921 5.1525 5.1628 5.5991 5.6372 5.6412 5.7151 6.0923 6.1193 6.1630 6.1692 9.0418 9.1185 9.4251 9.4297 11.9385 12.0670 12.1526 12.2556 12.5612 12.5780 13.1877 13.1904 13.8998 13.9563 14.2651 14.3313 k = 0.5000-0.0000 0.1819 ( 5570 PWs) bands (ev): -17.5910 -17.5907 -17.5488 -17.5487 -14.2126 -14.2121 -14.0912 -14.0911 -13.3497 -13.3497 -13.3351 -13.3348 -11.2337 -11.2324 -11.2108 -11.2101 -3.5294 -3.5182 -3.3737 -3.3314 -1.4298 -1.3911 -1.3689 -1.3491 -1.0753 -1.0349 -0.7788 -0.7678 -0.5460 -0.4354 -0.2384 -0.1640 0.1248 0.1462 0.3705 0.4611 0.4620 0.6011 0.6038 0.7304 1.0326 1.1094 1.1525 1.2281 1.4648 1.4941 1.6337 1.7151 1.9028 1.9651 2.0282 2.1223 2.2447 2.3513 2.3982 2.4556 2.6834 2.7764 2.9229 2.9679 3.2114 3.2671 3.4557 3.5033 3.7442 3.8853 3.9623 3.9995 4.1695 4.2702 4.3004 4.3370 5.0063 5.0962 5.1610 5.1687 5.5849 5.6286 5.6292 5.6992 6.0888 6.1172 6.1582 6.1653 8.9862 9.0603 9.3876 9.3925 11.9541 12.0807 12.1800 12.2713 12.5371 12.5531 13.1937 13.1955 13.8845 13.9380 14.2821 14.3462 k = 0.5000-0.0000 0.1667 ( 5568 PWs) bands (ev): -17.5926 -17.5923 -17.5476 -17.5476 -14.2164 -14.2159 -14.0874 -14.0873 -13.3501 -13.3500 -13.3345 -13.3342 -11.2322 -11.2309 -11.2080 -11.2073 -3.5414 -3.5317 -3.3747 -3.3343 -1.4420 -1.4063 -1.3806 -1.3610 -1.0855 -1.0470 -0.7759 -0.7661 -0.5529 -0.4514 -0.2284 -0.1657 0.1225 0.1478 0.3743 0.4671 0.4729 0.6000 0.6175 0.7219 1.0411 1.1193 1.1561 1.2390 1.4799 1.5052 1.6356 1.7291 1.9064 1.9601 2.0125 2.1177 2.2523 2.3527 2.3937 2.4469 2.7138 2.7953 2.9591 3.0020 3.2147 3.2872 3.4627 3.5190 3.7568 3.8970 3.9716 4.0050 4.1504 4.2599 4.2957 4.3306 5.0100 5.1006 5.1686 5.1742 5.5692 5.6153 5.6208 5.6815 6.0863 6.1156 6.1531 6.1611 8.9327 9.0035 9.3498 9.3547 11.9685 12.0934 12.2040 12.2787 12.5227 12.5337 13.1982 13.1994 13.8696 13.9199 14.2986 14.3603 k = 0.5000-0.0000 0.1516 ( 5564 PWs) bands (ev): -17.5940 -17.5937 -17.5466 -17.5466 -14.2199 -14.2195 -14.0840 -14.0839 -13.3504 -13.3504 -13.3340 -13.3338 -11.2307 -11.2295 -11.2053 -11.2045 -3.5528 -3.5446 -3.3759 -3.3377 -1.4534 -1.4211 -1.3916 -1.3729 -1.0946 -1.0586 -0.7736 -0.7649 -0.5589 -0.4666 -0.2192 -0.1671 0.1209 0.1489 0.3786 0.4740 0.4799 0.6021 0.6299 0.7126 1.0495 1.1271 1.1620 1.2484 1.4965 1.5154 1.6382 1.7387 1.9102 1.9540 1.9987 2.1094 2.2596 2.3537 2.3896 2.4379 2.7449 2.8163 2.9971 3.0350 3.2192 3.3108 3.4693 3.5303 3.7735 3.9128 3.9794 4.0096 4.1309 4.2487 4.2902 4.3226 5.0149 5.1052 5.1753 5.1792 5.5523 5.6010 5.6121 5.6627 6.0848 6.1144 6.1479 6.1568 8.8819 8.9486 9.3125 9.3171 11.9815 12.1044 12.2237 12.2771 12.5187 12.5207 13.2015 13.2021 13.8552 13.9021 14.3144 14.3734 k = 0.5000-0.0000 0.1364 ( 5566 PWs) bands (ev): -17.5953 -17.5951 -17.5457 -17.5456 -14.2232 -14.2228 -14.0808 -14.0807 -13.3507 -13.3507 -13.3336 -13.3333 -11.2292 -11.2280 -11.2027 -11.2020 -3.5638 -3.5568 -3.3771 -3.3416 -1.4640 -1.4352 -1.4019 -1.3844 -1.1026 -1.0694 -0.7718 -0.7641 -0.5639 -0.4809 -0.2110 -0.1680 0.1199 0.1493 0.3836 0.4815 0.4832 0.6070 0.6410 0.7029 1.0578 1.1318 1.1711 1.2566 1.5141 1.5239 1.6427 1.7441 1.9140 1.9451 1.9886 2.0976 2.2667 2.3544 2.3862 2.4287 2.7755 2.8384 3.0359 3.0662 3.2259 3.3360 3.4773 3.5373 3.7940 3.9324 3.9848 4.0131 4.1122 4.2366 4.2841 4.3130 5.0213 5.1099 5.1808 5.1839 5.5344 5.5850 5.6033 5.6438 6.0842 6.1134 6.1429 6.1524 8.8345 8.8965 9.2763 9.2806 11.9926 12.1128 12.2385 12.2687 12.5148 12.5237 13.2038 13.2040 13.8415 13.8848 14.3295 14.3852 k = 0.5000-0.0000 0.1213 ( 5562 PWs) bands (ev): -17.5965 -17.5963 -17.5448 -17.5448 -14.2261 -14.2258 -14.0780 -14.0779 -13.3509 -13.3509 -13.3331 -13.3329 -11.2277 -11.2266 -11.2002 -11.1996 -3.5740 -3.5681 -3.3782 -3.3457 -1.4736 -1.4484 -1.4114 -1.3954 -1.1096 -1.0796 -0.7703 -0.7637 -0.5681 -0.4942 -0.2037 -0.1686 0.1196 0.1491 0.3891 0.4833 0.4899 0.6136 0.6509 0.6930 1.0657 1.1336 1.1831 1.2638 1.5305 1.5319 1.6494 1.7459 1.9174 1.9329 1.9827 2.0826 2.2739 2.3547 2.3836 2.4198 2.8048 2.8606 3.0738 3.0949 3.2363 3.3592 3.4900 3.5400 3.8177 3.9550 3.9863 4.0153 4.0960 4.2236 4.2772 4.3015 5.0291 5.1144 5.1852 5.1882 5.5158 5.5667 5.5946 5.6260 6.0845 6.1125 6.1382 6.1480 8.7911 8.8477 9.2420 9.2458 12.0019 12.1177 12.2482 12.2575 12.5156 12.5342 13.2051 13.2053 13.8286 13.8682 14.3436 14.3955 k = 0.5000-0.0000 0.1061 ( 5558 PWs) bands (ev): -17.5976 -17.5974 -17.5441 -17.5441 -14.2288 -14.2284 -14.0754 -14.0753 -13.3511 -13.3511 -13.3327 -13.3325 -11.2264 -11.2253 -11.1979 -11.1973 -3.5833 -3.5785 -3.3792 -3.3499 -1.4820 -1.4604 -1.4199 -1.4056 -1.1155 -1.0889 -0.7692 -0.7635 -0.5713 -0.5066 -0.1973 -0.1690 0.1198 0.1482 0.3950 0.4810 0.4991 0.6205 0.6595 0.6834 1.0732 1.1336 1.1967 1.2698 1.5353 1.5489 1.6585 1.7453 1.9186 1.9203 1.9798 2.0649 2.2811 2.3546 2.3818 2.4113 2.8322 2.8816 3.1084 3.1210 3.2525 3.3767 3.5099 3.5393 3.8437 3.9794 3.9825 4.0164 4.0847 4.2096 4.2695 4.2879 5.0385 5.1187 5.1885 5.1922 5.4972 5.5457 5.5863 5.6104 6.0853 6.1115 6.1341 6.1440 8.7521 8.8027 9.2102 9.2134 12.0095 12.1180 12.2474 12.2537 12.5221 12.5472 13.2058 13.2061 13.8169 13.8524 14.3569 14.4042 k = 0.5000-0.0000 0.0909 ( 5554 PWs) bands (ev): -17.5986 -17.5984 -17.5435 -17.5434 -14.2311 -14.2308 -14.0732 -14.0731 -13.3513 -13.3513 -13.3324 -13.3322 -11.2251 -11.2242 -11.1959 -11.1954 -3.5917 -3.5878 -3.3799 -3.3542 -1.4893 -1.4712 -1.4273 -1.4148 -1.1204 -1.0974 -0.7683 -0.7635 -0.5734 -0.5180 -0.1917 -0.1692 0.1205 0.1467 0.4013 0.4772 0.5090 0.6259 0.6669 0.6753 1.0803 1.1324 1.2108 1.2748 1.5389 1.5639 1.6696 1.7440 1.9039 1.9223 1.9782 2.0456 2.2884 2.3541 2.3804 2.4033 2.8570 2.9005 3.1367 3.1443 3.2766 3.3872 3.5360 3.5368 3.8708 3.9735 4.0012 4.0190 4.0799 4.1947 4.2607 4.2722 5.0495 5.1225 5.1909 5.1959 5.4790 5.5227 5.5787 5.5972 6.0866 6.1102 6.1307 6.1404 8.7180 8.7622 9.1813 9.1841 12.0156 12.1132 12.2408 12.2562 12.5324 12.5606 13.2061 13.2065 13.8065 13.8377 14.3690 14.4113 k = 0.5000-0.0000 0.0758 ( 5566 PWs) bands (ev): -17.5994 -17.5992 -17.5429 -17.5429 -14.2330 -14.2328 -14.0713 -14.0712 -13.3515 -13.3515 -13.3321 -13.3320 -11.2239 -11.2231 -11.1941 -11.1937 -3.5990 -3.5959 -3.3803 -3.3584 -1.4954 -1.4806 -1.4335 -1.4230 -1.1243 -1.1050 -0.7676 -0.7637 -0.5746 -0.5285 -0.1869 -0.1694 0.1217 0.1448 0.4078 0.4723 0.5196 0.6272 0.6706 0.6728 1.0870 1.1305 1.2248 1.2786 1.5419 1.5754 1.6823 1.7436 1.8900 1.9230 1.9771 2.0256 2.2958 2.3529 2.3794 2.3962 2.8790 2.9165 3.1576 3.1645 3.3084 3.3928 3.5314 3.5661 3.8953 3.9646 4.0055 4.0364 4.0808 4.1794 4.2509 4.2542 5.0617 5.1255 5.1924 5.1990 5.4617 5.4987 5.5719 5.5863 6.0882 6.1086 6.1281 6.1372 8.6891 8.7266 9.1560 9.1583 12.0205 12.1042 12.2382 12.2567 12.5449 12.5728 13.2061 13.2066 13.7976 13.8242 14.3800 14.4165 k = 0.5000-0.0000 0.0606 ( 5558 PWs) bands (ev): -17.6000 -17.5999 -17.5425 -17.5425 -14.2346 -14.2344 -14.0697 -14.0696 -13.3516 -13.3516 -13.3319 -13.3317 -11.2229 -11.2223 -11.1926 -11.1922 -3.6051 -3.6027 -3.3802 -3.3625 -1.5003 -1.4886 -1.4385 -1.4301 -1.1272 -1.1117 -0.7670 -0.7640 -0.5748 -0.5378 -0.1828 -0.1696 0.1232 0.1426 0.4144 0.4668 0.5308 0.6229 0.6704 0.6775 1.0932 1.1280 1.2381 1.2812 1.5452 1.5820 1.6958 1.7453 1.8779 1.9214 1.9760 2.0067 2.3034 2.3509 2.3787 2.3901 2.8980 2.9291 3.1727 3.1810 3.3442 3.3964 3.5275 3.5922 3.9090 3.9679 3.9995 4.0591 4.0857 4.1645 4.2345 4.2399 5.0749 5.1277 5.1935 5.2016 5.4462 5.4753 5.5664 5.5774 6.0900 6.1067 6.1263 6.1345 8.6658 8.6962 9.1347 9.1365 12.0251 12.0927 12.2385 12.2562 12.5578 12.5830 13.2061 13.2065 13.7906 13.8123 14.3899 14.4199 k = 0.5000-0.0000 0.0455 ( 5558 PWs) bands (ev): -17.6005 -17.6005 -17.5421 -17.5421 -14.2359 -14.2357 -14.0685 -14.0684 -13.3517 -13.3517 -13.3317 -13.3316 -11.2221 -11.2216 -11.1914 -11.1911 -3.6099 -3.6081 -3.3797 -3.3663 -1.5038 -1.4952 -1.4422 -1.4359 -1.1290 -1.1173 -0.7665 -0.7643 -0.5739 -0.5462 -0.1794 -0.1700 0.1251 0.1401 0.4211 0.4608 0.5425 0.6143 0.6731 0.6807 1.0990 1.1251 1.2502 1.2824 1.5493 1.5835 1.7096 1.7487 1.8690 1.9161 1.9749 1.9911 2.3109 2.3479 2.3782 2.3853 2.9138 2.9380 3.1841 3.1934 3.3777 3.3999 3.5276 3.6090 3.9107 3.9885 3.9893 4.0779 4.0934 4.1519 4.2137 4.2277 5.0884 5.1287 5.1944 5.2031 5.4331 5.4541 5.5621 5.5703 6.0918 6.1045 6.1255 6.1322 8.6483 8.6713 9.1178 9.1191 12.0296 12.0804 12.2405 12.2550 12.5700 12.5904 13.2059 13.2063 13.7855 13.8021 14.3986 14.4216 k = 0.5000-0.0000 0.0303 ( 5548 PWs) bands (ev): -17.6009 -17.6008 -17.5419 -17.5419 -14.2367 -14.2366 -14.0676 -14.0676 -13.3518 -13.3518 -13.3315 -13.3315 -11.2215 -11.2211 -11.1905 -11.1903 -3.6132 -3.6121 -3.3787 -3.3697 -1.5059 -1.5002 -1.4446 -1.4404 -1.1297 -1.1219 -0.7661 -0.7646 -0.5719 -0.5535 -0.1766 -0.1705 0.1272 0.1374 0.4279 0.4545 0.5546 0.6035 0.6767 0.6825 1.1043 1.1217 1.2606 1.2819 1.5545 1.5805 1.7230 1.7515 1.8655 1.9060 1.9739 1.9806 2.3183 2.3437 2.3779 2.3819 2.9264 2.9430 3.1929 3.2011 3.4020 3.4043 3.5363 3.6122 3.9140 3.9755 4.0153 4.0865 4.1036 4.1452 4.1941 4.2144 5.1011 5.1281 5.1958 5.2033 5.4235 5.4367 5.5594 5.5648 6.0937 6.1022 6.1255 6.1302 8.6368 8.6522 9.1055 9.1064 12.0348 12.0686 12.2433 12.2534 12.5804 12.5948 13.2058 13.2061 13.7826 13.7938 14.4059 14.4215 k = 0.5000-0.0000 0.0152 ( 5552 PWs) bands (ev): -17.6011 -17.6011 -17.5417 -17.5417 -14.2373 -14.2372 -14.0671 -14.0671 -13.3518 -13.3518 -13.3314 -13.3314 -11.2211 -11.2209 -11.1900 -11.1899 -3.6152 -3.6146 -3.3772 -3.3727 -1.5066 -1.5038 -1.4456 -1.4435 -1.1294 -1.1255 -0.7657 -0.7650 -0.5689 -0.5597 -0.1744 -0.1714 0.1296 0.1348 0.4347 0.4480 0.5669 0.5916 0.6798 0.6829 1.1092 1.1179 1.2690 1.2797 1.5608 1.5748 1.7352 1.7506 1.8689 1.8925 1.9732 1.9752 2.3254 2.3384 2.3780 2.3797 2.9357 2.9441 3.1995 3.2044 3.4094 3.4128 3.5556 3.6012 3.9246 3.9587 4.0416 4.0805 4.1162 4.1418 4.1831 4.2005 5.1120 5.1255 5.1977 5.2022 5.4183 5.4245 5.5583 5.5610 6.0956 6.0999 6.1261 6.1285 8.6314 8.6392 9.0982 9.0986 12.0411 12.0579 12.2462 12.2514 12.5885 12.5959 13.2058 13.2059 13.7820 13.7877 14.4120 14.4199 k = 0.5000-0.0000-0.0000 ( 5544 PWs) bands (ev): -17.6012 -17.6012 -17.5417 -17.5417 -14.2374 -14.2374 -14.0669 -14.0669 -13.3519 -13.3519 -13.3314 -13.3314 -11.2209 -11.2209 -11.1897 -11.1897 -3.6157 -3.6157 -3.3752 -3.3752 -1.5060 -1.5060 -1.4452 -1.4452 -1.1279 -1.1279 -0.7654 -0.7654 -0.5648 -0.5648 -0.1727 -0.1727 0.1321 0.1321 0.4414 0.4414 0.5794 0.5794 0.6820 0.6820 1.1138 1.1138 1.2754 1.2754 1.5678 1.5678 1.7449 1.7449 1.8788 1.8788 1.9733 1.9733 2.3322 2.3322 2.3785 2.3785 2.9417 2.9417 3.2036 3.2036 3.4134 3.4134 3.5800 3.5800 3.9407 3.9407 4.0642 4.0642 4.1306 4.1306 4.1879 4.1879 5.1202 5.1202 5.2000 5.2000 5.4184 5.4184 5.5589 5.5589 6.0977 6.0977 6.1271 6.1271 8.6322 8.6322 9.0958 9.0958 12.0487 12.0487 12.2490 12.2490 12.5938 12.5938 13.2058 13.2058 13.7837 13.7837 14.4167 14.4167 k = 0.0000 0.0000 0.3638 ( 5540 PWs) bands (ev): -17.6069 -17.6069 -17.6058 -17.6058 -14.1092 -14.1092 -14.1060 -14.1060 -13.3020 -13.3020 -13.3016 -13.3016 -11.2249 -11.2249 -11.2240 -11.2240 -3.5637 -3.5637 -3.5280 -3.5280 -1.5141 -1.5141 -1.4520 -1.4520 -1.2216 -1.2216 -1.1652 -1.1652 -0.4743 -0.4743 -0.4668 -0.4668 0.1027 0.1027 0.1845 0.1845 0.4879 0.4879 0.5624 0.5624 1.3674 1.3674 1.3793 1.3793 1.7189 1.7189 1.8656 1.8656 2.4116 2.4116 2.4288 2.4288 2.7739 2.7739 2.8263 2.8263 3.3807 3.3807 3.4000 3.4000 3.5284 3.5284 3.5832 3.5832 3.7864 3.7864 3.7963 3.7963 4.0565 4.0565 4.0697 4.0697 4.7664 4.7664 4.8153 4.8153 5.2285 5.2285 5.3201 5.3201 5.6219 5.6219 5.6325 5.6325 9.0144 9.0144 9.0825 9.0825 12.4198 12.4198 12.5385 12.5385 13.0980 13.0980 13.1155 13.1155 14.2185 14.2185 14.2515 14.2515 k = 0.0152-0.0000 0.3638 ( 5544 PWs) bands (ev): -17.6069 -17.6069 -17.6058 -17.6058 -14.1093 -14.1093 -14.1061 -14.1061 -13.3021 -13.3021 -13.3017 -13.3017 -11.2249 -11.2249 -11.2240 -11.2240 -3.5633 -3.5633 -3.5277 -3.5277 -1.5139 -1.5139 -1.4516 -1.4516 -1.2208 -1.2208 -1.1643 -1.1643 -0.4758 -0.4758 -0.4652 -0.4652 0.1033 0.1033 0.1849 0.1849 0.4875 0.4875 0.5626 0.5626 1.3641 1.3641 1.3813 1.3813 1.7184 1.7184 1.8658 1.8658 2.4058 2.4058 2.4330 2.4330 2.7721 2.7721 2.8264 2.8264 3.3642 3.3642 3.4101 3.4101 3.5217 3.5217 3.5853 3.5853 3.7809 3.7809 3.8057 3.8057 4.0563 4.0563 4.0712 4.0712 4.7671 4.7671 4.8162 4.8162 5.2304 5.2304 5.3216 5.3216 5.6224 5.6224 5.6343 5.6343 9.0156 9.0156 9.0837 9.0837 12.4174 12.4174 12.5364 12.5364 13.0980 13.0980 13.1168 13.1168 14.2176 14.2176 14.2521 14.2521 k = 0.0303-0.0000 0.3638 ( 5542 PWs) bands (ev): -17.6066 -17.6066 -17.6055 -17.6055 -14.1096 -14.1096 -14.1064 -14.1064 -13.3025 -13.3025 -13.3020 -13.3020 -11.2250 -11.2250 -11.2241 -11.2241 -3.5623 -3.5623 -3.5266 -3.5266 -1.5130 -1.5130 -1.4502 -1.4502 -1.2185 -1.2185 -1.1619 -1.1619 -0.4788 -0.4788 -0.4620 -0.4620 0.1049 0.1049 0.1863 0.1863 0.4865 0.4865 0.5631 0.5631 1.3571 1.3571 1.3844 1.3844 1.7169 1.7169 1.8663 1.8663 2.3941 2.3941 2.4395 2.4395 2.7672 2.7672 2.8263 2.8263 3.3356 3.3356 3.4189 3.4189 3.5068 3.5068 3.5879 3.5879 3.7767 3.7767 3.8210 3.8210 4.0563 4.0563 4.0752 4.0752 4.7691 4.7691 4.8192 4.8192 5.2360 5.2360 5.3262 5.3262 5.6242 5.6242 5.6395 5.6395 9.0190 9.0190 9.0873 9.0873 12.4103 12.4103 12.5304 12.5304 13.0982 13.0982 13.1204 13.1204 14.2150 14.2150 14.2539 14.2539 k = 0.0455-0.0000 0.3638 ( 5552 PWs) bands (ev): -17.6062 -17.6062 -17.6051 -17.6051 -14.1100 -14.1100 -14.1069 -14.1069 -13.3030 -13.3030 -13.3024 -13.3024 -11.2252 -11.2252 -11.2243 -11.2243 -3.5605 -3.5605 -3.5247 -3.5247 -1.5116 -1.5116 -1.4480 -1.4480 -1.2146 -1.2146 -1.1579 -1.1579 -0.4822 -0.4822 -0.4582 -0.4582 0.1076 0.1076 0.1884 0.1884 0.4848 0.4848 0.5638 0.5638 1.3482 1.3482 1.3867 1.3867 1.7144 1.7144 1.8670 1.8670 2.3802 2.3802 2.4450 2.4450 2.7594 2.7594 2.8257 2.8257 3.3014 3.3014 3.4176 3.4176 3.4918 3.4918 3.5872 3.5872 3.7765 3.7765 3.8373 3.8373 4.0576 4.0576 4.0811 4.0811 4.7724 4.7724 4.8240 4.8240 5.2452 5.2452 5.3336 5.3336 5.6280 5.6280 5.6474 5.6474 9.0247 9.0247 9.0931 9.0931 12.3989 12.3989 12.5205 12.5205 13.0992 13.0992 13.1254 13.1254 14.2111 14.2111 14.2562 14.2562 k = 0.0606-0.0000 0.3638 ( 5548 PWs) bands (ev): -17.6056 -17.6056 -17.6045 -17.6045 -14.1107 -14.1107 -14.1075 -14.1075 -13.3038 -13.3038 -13.3030 -13.3030 -11.2254 -11.2254 -11.2245 -11.2245 -3.5580 -3.5580 -3.5222 -3.5222 -1.5096 -1.5096 -1.4449 -1.4449 -1.2091 -1.2091 -1.1523 -1.1523 -0.4857 -0.4857 -0.4542 -0.4542 0.1113 0.1113 0.1913 0.1913 0.4826 0.4826 0.5649 0.5649 1.3379 1.3379 1.3880 1.3880 1.7111 1.7111 1.8679 1.8679 2.3647 2.3647 2.4486 2.4486 2.7493 2.7493 2.8240 2.8240 3.2629 3.2629 3.4033 3.4033 3.4823 3.4823 3.5826 3.5826 3.7792 3.7792 3.8527 3.8527 4.0608 4.0608 4.0886 4.0886 4.7771 4.7771 4.8309 4.8309 5.2574 5.2574 5.3437 5.3437 5.6340 5.6340 5.6578 5.6578 9.0327 9.0327 9.1013 9.1013 12.3835 12.3835 12.5070 12.5070 13.1009 13.1009 13.1311 13.1311 14.2064 14.2064 14.2587 14.2587 k = 0.0758-0.0000 0.3638 ( 5548 PWs) bands (ev): -17.6049 -17.6049 -17.6037 -17.6037 -14.1115 -14.1115 -14.1084 -14.1084 -13.3047 -13.3047 -13.3038 -13.3038 -11.2257 -11.2257 -11.2248 -11.2248 -3.5548 -3.5548 -3.5190 -3.5190 -1.5070 -1.5070 -1.4411 -1.4411 -1.2022 -1.2022 -1.1453 -1.1453 -0.4892 -0.4892 -0.4499 -0.4499 0.1161 0.1161 0.1950 0.1950 0.4798 0.4798 0.5661 0.5661 1.3265 1.3265 1.3879 1.3879 1.7069 1.7069 1.8688 1.8688 2.3477 2.3477 2.4500 2.4500 2.7372 2.7372 2.8206 2.8206 3.2213 3.2213 3.3788 3.3788 3.4771 3.4771 3.5750 3.5750 3.7830 3.7830 3.8659 3.8659 4.0665 4.0665 4.0976 4.0976 4.7831 4.7831 4.8396 4.8396 5.2722 5.2722 5.3562 5.3562 5.6423 5.6423 5.6704 5.6704 9.0428 9.0428 9.1117 9.1117 12.3648 12.3648 12.4903 12.4903 13.1033 13.1033 13.1369 13.1369 14.2011 14.2011 14.2609 14.2609 k = 0.0909-0.0000 0.3638 ( 5540 PWs) bands (ev): -17.6040 -17.6040 -17.6028 -17.6028 -14.1124 -14.1124 -14.1094 -14.1094 -13.3058 -13.3058 -13.3047 -13.3047 -11.2260 -11.2260 -11.2251 -11.2251 -3.5510 -3.5510 -3.5151 -3.5151 -1.5037 -1.5037 -1.4364 -1.4364 -1.1938 -1.1938 -1.1368 -1.1368 -0.4927 -0.4927 -0.4452 -0.4452 0.1219 0.1219 0.1992 0.1992 0.4767 0.4767 0.5675 0.5675 1.3139 1.3139 1.3866 1.3866 1.7020 1.7020 1.8697 1.8697 2.3295 2.3295 2.4491 2.4491 2.7234 2.7234 2.8151 2.8151 3.1777 3.1777 3.3492 3.3492 3.4727 3.4727 3.5654 3.5654 3.7867 3.7867 3.8765 3.8765 4.0746 4.0746 4.1081 4.1081 4.7905 4.7905 4.8501 4.8501 5.2891 5.2891 5.3709 5.3709 5.6531 5.6531 5.6850 5.6850 9.0551 9.0551 9.1242 9.1242 12.3433 12.3433 12.4709 12.4709 13.1061 13.1061 13.1423 13.1423 14.1954 14.1954 14.2625 14.2625 k = 0.1061-0.0000 0.3638 ( 5532 PWs) bands (ev): -17.6029 -17.6029 -17.6018 -17.6018 -14.1135 -14.1135 -14.1105 -14.1105 -13.3070 -13.3070 -13.3058 -13.3058 -11.2264 -11.2264 -11.2255 -11.2255 -3.5466 -3.5466 -3.5106 -3.5106 -1.4999 -1.4999 -1.4311 -1.4311 -1.1841 -1.1841 -1.1270 -1.1270 -0.4961 -0.4961 -0.4402 -0.4402 0.1286 0.1286 0.2040 0.2040 0.4732 0.4732 0.5691 0.5691 1.3004 1.3004 1.3840 1.3840 1.6964 1.6964 1.8703 1.8703 2.3102 2.3102 2.4455 2.4455 2.7080 2.7080 2.8072 2.8072 3.1334 3.1334 3.3173 3.3173 3.4669 3.4669 3.5547 3.5547 3.7895 3.7895 3.8841 3.8841 4.0850 4.0850 4.1200 4.1200 4.7993 4.7993 4.8620 4.8620 5.3076 5.3076 5.3873 5.3873 5.6663 5.6663 5.7017 5.7017 9.0694 9.0694 9.1388 9.1388 12.3195 12.3195 12.4491 12.4491 13.1088 13.1088 13.1469 13.1469 14.1894 14.1894 14.2635 14.2635 k = 0.1212-0.0000 0.3638 ( 5534 PWs) bands (ev): -17.6018 -17.6018 -17.6006 -17.6006 -14.1148 -14.1148 -14.1119 -14.1119 -13.3084 -13.3084 -13.3071 -13.3071 -11.2268 -11.2268 -11.2260 -11.2260 -3.5416 -3.5416 -3.5055 -3.5055 -1.4953 -1.4953 -1.4251 -1.4251 -1.1730 -1.1730 -1.1160 -1.1160 -0.4994 -0.4994 -0.4349 -0.4349 0.1363 0.1363 0.2092 0.2092 0.4694 0.4694 0.5708 0.5708 1.2860 1.2860 1.3801 1.3801 1.6901 1.6901 1.8707 1.8707 2.2899 2.2899 2.4391 2.4391 2.6912 2.6912 2.7966 2.7966 3.0895 3.0895 3.2845 3.2845 3.4593 3.4593 3.5431 3.5431 3.7911 3.7911 3.8892 3.8892 4.0970 4.0970 4.1331 4.1331 4.8094 4.8094 4.8751 4.8751 5.3271 5.3271 5.4052 5.4052 5.6819 5.6819 5.7201 5.7201 9.0856 9.0856 9.1553 9.1553 12.2940 12.2940 12.4255 12.4255 13.1111 13.1111 13.1504 13.1504 14.1830 14.1830 14.2635 14.2635 k = 0.1364-0.0000 0.3638 ( 5526 PWs) bands (ev): -17.6005 -17.6005 -17.5993 -17.5993 -14.1162 -14.1162 -14.1133 -14.1133 -13.3100 -13.3100 -13.3085 -13.3085 -11.2273 -11.2273 -11.2264 -11.2264 -3.5360 -3.5360 -3.4999 -3.4999 -1.4901 -1.4901 -1.4185 -1.4185 -1.1608 -1.1608 -1.1039 -1.1039 -0.5025 -0.5025 -0.4290 -0.4290 0.1447 0.1447 0.2148 0.2148 0.4654 0.4654 0.5728 0.5728 1.2708 1.2708 1.3751 1.3751 1.6832 1.6832 1.8706 1.8706 2.2685 2.2685 2.4297 2.4297 2.6729 2.6729 2.7831 2.7831 3.0472 3.0472 3.2516 3.2516 3.4497 3.4497 3.5311 3.5311 3.7917 3.7917 3.8922 3.8922 4.1102 4.1102 4.1470 4.1470 4.8207 4.8207 4.8891 4.8891 5.3474 5.3474 5.4243 5.4243 5.6997 5.6997 5.7401 5.7401 9.1036 9.1036 9.1736 9.1736 12.2673 12.2673 12.4004 12.4004 13.1128 13.1128 13.1526 13.1526 14.1764 14.1764 14.2626 14.2626 k = 0.1515-0.0000 0.3638 ( 5538 PWs) bands (ev): -17.5991 -17.5991 -17.5979 -17.5979 -14.1178 -14.1178 -14.1149 -14.1149 -13.3116 -13.3116 -13.3101 -13.3101 -11.2279 -11.2279 -11.2270 -11.2270 -3.5300 -3.5300 -3.4939 -3.4939 -1.4842 -1.4842 -1.4114 -1.4114 -1.1475 -1.1475 -1.0908 -1.0908 -0.5054 -0.5054 -0.4227 -0.4227 0.1538 0.1538 0.2206 0.2206 0.4611 0.4611 0.5749 0.5749 1.2550 1.2550 1.3689 1.3689 1.6756 1.6756 1.8700 1.8700 2.2463 2.2463 2.4170 2.4170 2.6530 2.6530 2.7668 2.7668 3.0075 3.0075 3.2191 3.2191 3.4383 3.4383 3.5186 3.5186 3.7914 3.7914 3.8938 3.8938 4.1240 4.1240 4.1614 4.1614 4.8330 4.8330 4.9037 4.9037 5.3680 5.3680 5.4442 5.4442 5.7195 5.7195 5.7616 5.7616 9.1233 9.1233 9.1935 9.1935 12.2397 12.2397 12.3743 12.3743 13.1135 13.1135 13.1532 13.1532 14.1695 14.1695 14.2606 14.2606 k = 0.1667-0.0000 0.3638 ( 5534 PWs) bands (ev): -17.5975 -17.5975 -17.5964 -17.5964 -14.1194 -14.1194 -14.1166 -14.1166 -13.3133 -13.3133 -13.3117 -13.3117 -11.2284 -11.2284 -11.2275 -11.2275 -3.5236 -3.5236 -3.4873 -3.4873 -1.4777 -1.4777 -1.4038 -1.4038 -1.1332 -1.1332 -1.0768 -1.0768 -0.5080 -0.5080 -0.4158 -0.4158 0.1634 0.1634 0.2266 0.2266 0.4567 0.4567 0.5773 0.5773 1.2387 1.2387 1.3617 1.3617 1.6673 1.6673 1.8687 1.8687 2.2233 2.2233 2.4011 2.4011 2.6315 2.6315 2.7483 2.7483 2.9711 2.9711 3.1872 3.1872 3.4255 3.4255 3.5059 3.5059 3.7907 3.7907 3.8944 3.8944 4.1380 4.1380 4.1759 4.1759 4.8461 4.8461 4.9185 4.9185 5.3888 5.3888 5.4647 5.4647 5.7412 5.7412 5.7844 5.7844 9.1446 9.1446 9.2148 9.2148 12.2118 12.2118 12.3477 12.3477 13.1132 13.1132 13.1523 13.1523 14.1625 14.1625 14.2575 14.2575 k = 0.1818-0.0000 0.3638 ( 5538 PWs) bands (ev): -17.5959 -17.5959 -17.5948 -17.5948 -14.1212 -14.1212 -14.1185 -14.1185 -13.3151 -13.3151 -13.3135 -13.3135 -11.2290 -11.2290 -11.2281 -11.2281 -3.5167 -3.5167 -3.4805 -3.4805 -1.4706 -1.4706 -1.3957 -1.3957 -1.1182 -1.1182 -1.0621 -1.0621 -0.5103 -0.5103 -0.4083 -0.4083 0.1732 0.1732 0.2329 0.2329 0.4520 0.4520 0.5801 0.5801 1.2220 1.2220 1.3534 1.3534 1.6583 1.6583 1.8666 1.8666 2.1995 2.1995 2.3820 2.3820 2.6082 2.6082 2.7286 2.7286 2.9380 2.9380 3.1561 3.1561 3.4116 3.4116 3.4929 3.4929 3.7899 3.7899 3.8944 3.8944 4.1520 4.1520 4.1903 4.1903 4.8598 4.8598 4.9333 4.9333 5.4095 5.4095 5.4855 5.4855 5.7644 5.7644 5.8083 5.8083 9.1671 9.1671 9.2374 9.2374 12.1838 12.1838 12.3207 12.3207 13.1115 13.1115 13.1497 13.1497 14.1555 14.1555 14.2535 14.2535 k = 0.1970-0.0000 0.3638 ( 5546 PWs) bands (ev): -17.5943 -17.5943 -17.5931 -17.5931 -14.1230 -14.1230 -14.1204 -14.1204 -13.3170 -13.3170 -13.3153 -13.3153 -11.2296 -11.2296 -11.2288 -11.2288 -3.5096 -3.5096 -3.4733 -3.4733 -1.4628 -1.4628 -1.3873 -1.3873 -1.1026 -1.1026 -1.0468 -1.0468 -0.5120 -0.5120 -0.4002 -0.4002 0.1831 0.1831 0.2394 0.2394 0.4471 0.4471 0.5832 0.5832 1.2050 1.2050 1.3444 1.3444 1.6486 1.6486 1.8636 1.8636 2.1750 2.1750 2.3600 2.3600 2.5829 2.5829 2.7087 2.7087 2.9079 2.9079 3.1259 3.1259 3.3971 3.3971 3.4796 3.4796 3.7890 3.7890 3.8942 3.8942 4.1657 4.1657 4.2044 4.2044 4.8738 4.8738 4.9478 4.9478 5.4300 5.4300 5.5065 5.5065 5.7888 5.7888 5.8330 5.8330 9.1909 9.1909 9.2610 9.2610 12.1560 12.1560 12.2938 12.2938 13.1086 13.1086 13.1456 13.1456 14.1483 14.1483 14.2485 14.2485 k = 0.2121-0.0000 0.3638 ( 5552 PWs) bands (ev): -17.5925 -17.5925 -17.5914 -17.5914 -14.1249 -14.1249 -14.1224 -14.1224 -13.3190 -13.3190 -13.3172 -13.3172 -11.2302 -11.2302 -11.2294 -11.2294 -3.5022 -3.5022 -3.4658 -3.4658 -1.4544 -1.4544 -1.3786 -1.3786 -1.0866 -1.0866 -1.0311 -1.0311 -0.5132 -0.5132 -0.3914 -0.3914 0.1925 0.1925 0.2465 0.2465 0.4420 0.4420 0.5868 0.5868 1.1878 1.1878 1.3346 1.3346 1.6380 1.6380 1.8594 1.8594 2.1499 2.1499 2.3357 2.3357 2.5560 2.5560 2.6898 2.6898 2.8803 2.8803 3.0966 3.0966 3.3822 3.3822 3.4662 3.4662 3.7885 3.7885 3.8940 3.8940 4.1790 4.1790 4.2180 4.2180 4.8880 4.8880 4.9619 4.9619 5.4502 5.4502 5.5274 5.5274 5.8141 5.8141 5.8583 5.8583 9.2156 9.2156 9.2855 9.2855 12.1287 12.1287 12.2672 12.2672 13.1044 13.1044 13.1400 13.1400 14.1412 14.1412 14.2428 14.2428 k = 0.2273-0.0000 0.3638 ( 5552 PWs) bands (ev): -17.5907 -17.5907 -17.5896 -17.5896 -14.1269 -14.1269 -14.1245 -14.1245 -13.3209 -13.3209 -13.3191 -13.3191 -11.2309 -11.2309 -11.2300 -11.2300 -3.4947 -3.4947 -3.4582 -3.4582 -1.4455 -1.4455 -1.3697 -1.3697 -1.0704 -1.0704 -1.0152 -1.0152 -0.5136 -0.5136 -0.3820 -0.3820 0.2011 0.2011 0.2542 0.2542 0.4366 0.4366 0.5909 0.5909 1.1706 1.1706 1.3242 1.3242 1.6266 1.6266 1.8538 1.8538 2.1243 2.1243 2.3100 2.3100 2.5279 2.5279 2.6723 2.6723 2.8545 2.8545 3.0682 3.0682 3.3673 3.3673 3.4527 3.4527 3.7882 3.7882 3.8939 3.8939 4.1918 4.1918 4.2311 4.2311 4.9021 4.9021 4.9755 4.9755 5.4699 5.4699 5.5480 5.5480 5.8400 5.8400 5.8840 5.8840 9.2411 9.2411 9.3105 9.3105 12.1022 12.1022 12.2412 12.2412 13.0990 13.0990 13.1330 13.1330 14.1342 14.1342 14.2364 14.2364 k = 0.2424-0.0000 0.3638 ( 5554 PWs) bands (ev): -17.5889 -17.5889 -17.5878 -17.5878 -14.1289 -14.1289 -14.1266 -14.1266 -13.3229 -13.3229 -13.3211 -13.3211 -11.2315 -11.2315 -11.2307 -11.2307 -3.4870 -3.4870 -3.4505 -3.4505 -1.4360 -1.4360 -1.3606 -1.3606 -1.0541 -1.0541 -0.9992 -0.9992 -0.5133 -0.5133 -0.3719 -0.3719 0.2084 0.2084 0.2629 0.2629 0.4309 0.4309 0.5955 0.5955 1.1534 1.1534 1.3133 1.3133 1.6142 1.6142 1.8463 1.8463 2.0983 2.0983 2.2839 2.2839 2.4991 2.4991 2.6564 2.6564 2.8299 2.8299 3.0408 3.0408 3.3528 3.3528 3.4392 3.4392 3.7883 3.7883 3.8940 3.8940 4.2040 4.2040 4.2435 4.2435 4.9160 4.9160 4.9884 4.9884 5.4892 5.4892 5.5682 5.5682 5.8662 5.8662 5.9099 5.9099 9.2671 9.2671 9.3359 9.3359 12.0766 12.0766 12.2159 12.2159 13.0924 13.0924 13.1249 13.1249 14.1274 14.1274 14.2296 14.2296 k = 0.2576-0.0000 0.3638 ( 5566 PWs) bands (ev): -17.5871 -17.5871 -17.5860 -17.5860 -14.1309 -14.1309 -14.1287 -14.1287 -13.3248 -13.3248 -13.3230 -13.3230 -11.2322 -11.2322 -11.2314 -11.2314 -3.4793 -3.4793 -3.4428 -3.4428 -1.4262 -1.4262 -1.3514 -1.3514 -1.0380 -1.0380 -0.9834 -0.9834 -0.5120 -0.5120 -0.3611 -0.3611 0.2142 0.2142 0.2723 0.2723 0.4251 0.4251 0.6008 0.6008 1.1363 1.1363 1.3021 1.3021 1.6011 1.6011 1.8365 1.8365 2.0726 2.0726 2.2584 2.2584 2.4703 2.4703 2.6417 2.6417 2.8064 2.8064 3.0142 3.0142 3.3387 3.3387 3.4257 3.4257 3.7888 3.7888 3.8943 3.8943 4.2156 4.2156 4.2553 4.2553 4.9295 4.9295 5.0006 5.0006 5.5078 5.5078 5.5878 5.5878 5.8925 5.8925 5.9357 5.9357 9.2934 9.2934 9.3614 9.3614 12.0520 12.0520 12.1916 12.1916 13.0849 13.0849 13.1157 13.1157 14.1209 14.1209 14.2224 14.2224 k = 0.2727-0.0000 0.3638 ( 5564 PWs) bands (ev): -17.5853 -17.5853 -17.5842 -17.5842 -14.1330 -14.1330 -14.1308 -14.1308 -13.3268 -13.3268 -13.3250 -13.3250 -11.2328 -11.2328 -11.2320 -11.2320 -3.4716 -3.4716 -3.4351 -3.4351 -1.4159 -1.4159 -1.3423 -1.3423 -1.0222 -1.0222 -0.9679 -0.9679 -0.5097 -0.5097 -0.3498 -0.3498 0.2186 0.2186 0.2821 0.2821 0.4193 0.4193 0.6066 0.6066 1.1195 1.1195 1.2908 1.2908 1.5870 1.5870 1.8238 1.8238 2.0478 2.0478 2.2347 2.2347 2.4420 2.4420 2.6280 2.6280 2.7838 2.7838 2.9884 2.9884 3.3254 3.3254 3.4124 3.4124 3.7896 3.7896 3.8950 3.8950 4.2265 4.2265 4.2664 4.2664 4.9425 4.9425 5.0120 5.0120 5.5258 5.5258 5.6066 5.6066 5.9185 5.9185 5.9611 5.9611 9.3197 9.3197 9.3867 9.3867 12.0288 12.0288 12.1684 12.1684 13.0766 13.0766 13.1057 13.1057 14.1147 14.1147 14.2152 14.2152 k = 0.2879-0.0000 0.3638 ( 5556 PWs) bands (ev): -17.5834 -17.5834 -17.5824 -17.5824 -14.1350 -14.1350 -14.1330 -14.1330 -13.3287 -13.3287 -13.3269 -13.3269 -11.2334 -11.2334 -11.2326 -11.2326 -3.4640 -3.4640 -3.4275 -3.4275 -1.4053 -1.4053 -1.3333 -1.3333 -1.0068 -1.0068 -0.9530 -0.9530 -0.5063 -0.5063 -0.3380 -0.3380 0.2217 0.2217 0.2918 0.2918 0.4138 0.4138 0.6131 0.6131 1.1031 1.1031 1.2793 1.2793 1.5722 1.5722 1.8076 1.8076 2.0249 2.0249 2.2134 2.2134 2.4145 2.4145 2.6146 2.6146 2.7623 2.7623 2.9636 2.9636 3.3130 3.3130 3.3993 3.3993 3.7908 3.7908 3.8959 3.8959 4.2368 4.2368 4.2768 4.2768 4.9549 4.9549 5.0227 5.0227 5.5430 5.5430 5.6245 5.6245 5.9441 5.9441 5.9859 5.9859 9.3459 9.3459 9.4116 9.4116 12.0069 12.0069 12.1465 12.1465 13.0676 13.0676 13.0952 13.0952 14.1089 14.1089 14.2079 14.2079 k = 0.3030-0.0000 0.3638 ( 5550 PWs) bands (ev): -17.5817 -17.5817 -17.5807 -17.5807 -14.1369 -14.1369 -14.1351 -14.1351 -13.3305 -13.3305 -13.3288 -13.3288 -11.2340 -11.2340 -11.2333 -11.2333 -3.4566 -3.4566 -3.4200 -3.4200 -1.3946 -1.3946 -1.3245 -1.3245 -0.9920 -0.9920 -0.9389 -0.9389 -0.5017 -0.5017 -0.3257 -0.3257 0.2238 0.2238 0.3003 0.3003 0.4092 0.4092 0.6203 0.6203 1.0871 1.0871 1.2678 1.2678 1.5568 1.5568 1.7875 1.7875 2.0048 2.0048 2.1949 2.1949 2.3880 2.3880 2.6010 2.6010 2.7423 2.7423 2.9396 2.9396 3.3016 3.3016 3.3865 3.3865 3.7923 3.7923 3.8970 3.8970 4.2463 4.2463 4.2866 4.2866 4.9666 4.9666 5.0325 5.0325 5.5594 5.5594 5.6414 5.6414 5.9691 5.9691 6.0099 6.0099 9.3716 9.3716 9.4358 9.4358 11.9864 11.9864 12.1258 12.1258 13.0581 13.0581 13.0842 13.0842 14.1035 14.1035 14.2009 14.2009 k = 0.3182-0.0000 0.3638 ( 5560 PWs) bands (ev): -17.5800 -17.5800 -17.5790 -17.5790 -14.1388 -14.1388 -14.1371 -14.1371 -13.3322 -13.3322 -13.3306 -13.3306 -11.2346 -11.2346 -11.2339 -11.2339 -3.4494 -3.4494 -3.4128 -3.4128 -1.3837 -1.3837 -1.3160 -1.3160 -0.9779 -0.9779 -0.9258 -0.9258 -0.4960 -0.4960 -0.3133 -0.3133 0.2251 0.2251 0.3069 0.3069 0.4060 0.4060 0.6281 0.6281 1.0718 1.0718 1.2563 1.2563 1.5410 1.5410 1.7636 1.7636 1.9884 1.9884 2.1793 2.1793 2.3626 2.3626 2.5866 2.5866 2.7243 2.7243 2.9165 2.9165 3.2913 3.2913 3.3741 3.3741 3.7940 3.7940 3.8983 3.8983 4.2552 4.2552 4.2956 4.2956 4.9775 4.9775 5.0416 5.0416 5.5749 5.5749 5.6571 5.6571 5.9934 5.9934 6.0329 6.0329 9.3966 9.3966 9.4592 9.4592 11.9675 11.9675 12.1067 12.1067 13.0484 13.0484 13.0730 13.0730 14.0985 14.0985 14.1940 14.1940 k = 0.3333-0.0000 0.3638 ( 5552 PWs) bands (ev): -17.5783 -17.5783 -17.5774 -17.5774 -14.1407 -14.1407 -14.1391 -14.1391 -13.3339 -13.3339 -13.3323 -13.3323 -11.2351 -11.2351 -11.2344 -11.2344 -3.4425 -3.4425 -3.4059 -3.4059 -1.3727 -1.3727 -1.3080 -1.3080 -0.9646 -0.9646 -0.9139 -0.9139 -0.4890 -0.4890 -0.3007 -0.3007 0.2258 0.2258 0.3104 0.3104 0.4049 0.4049 0.6366 0.6366 1.0572 1.0572 1.2445 1.2445 1.5251 1.5251 1.7366 1.7366 1.9759 1.9759 2.1663 2.1663 2.3387 2.3387 2.5710 2.5710 2.7088 2.7088 2.8943 2.8943 3.2820 3.2820 3.3621 3.3621 3.7958 3.7958 3.8998 3.8998 4.2634 4.2634 4.3038 4.3038 4.9877 4.9877 5.0499 5.0499 5.5895 5.5895 5.6717 5.6717 6.0166 6.0166 6.0546 6.0546 9.4207 9.4207 9.4815 9.4815 11.9501 11.9501 12.0890 12.0890 13.0387 13.0387 13.0619 13.0619 14.0941 14.0941 14.1876 14.1876 k = 0.3485-0.0000 0.3638 ( 5566 PWs) bands (ev): -17.5767 -17.5767 -17.5759 -17.5759 -14.1424 -14.1424 -14.1409 -14.1409 -13.3354 -13.3354 -13.3340 -13.3340 -11.2356 -11.2356 -11.2350 -11.2350 -3.4360 -3.4360 -3.3994 -3.3994 -1.3619 -1.3619 -1.3006 -1.3006 -0.9521 -0.9521 -0.9033 -0.9033 -0.4811 -0.4811 -0.2883 -0.2883 0.2261 0.2261 0.3105 0.3105 0.4062 0.4062 0.6459 0.6459 1.0436 1.0436 1.2323 1.2323 1.5096 1.5096 1.7076 1.7076 1.9671 1.9671 2.1556 2.1556 2.3164 2.3164 2.5539 2.5539 2.6961 2.6961 2.8732 2.8732 3.2739 3.2739 3.3506 3.3506 3.7978 3.7978 3.9013 3.9013 4.2708 4.2708 4.3114 4.3114 4.9970 4.9970 5.0574 5.0574 5.6030 5.6030 5.6849 5.6849 6.0387 6.0387 6.0748 6.0748 9.4437 9.4437 9.5024 9.5024 11.9344 11.9344 12.0728 12.0728 13.0291 13.0291 13.0509 13.0509 14.0902 14.0902 14.1815 14.1815 k = 0.3636-0.0000 0.3638 ( 5574 PWs) bands (ev): -17.5753 -17.5753 -17.5745 -17.5745 -14.1441 -14.1441 -14.1427 -14.1427 -13.3369 -13.3369 -13.3355 -13.3355 -11.2361 -11.2361 -11.2355 -11.2355 -3.4299 -3.4299 -3.3933 -3.3933 -1.3512 -1.3512 -1.2938 -1.2938 -0.9404 -0.9404 -0.8941 -0.8941 -0.4722 -0.4722 -0.2761 -0.2761 0.2263 0.2263 0.3073 0.3073 0.4097 0.4097 0.6558 0.6558 1.0313 1.0313 1.2193 1.2193 1.4949 1.4949 1.6776 1.6776 1.9617 1.9617 2.1466 2.1466 2.2962 2.2962 2.5354 2.5354 2.6863 2.6863 2.8532 2.8532 3.2668 3.2668 3.3396 3.3396 3.7998 3.7998 3.9029 3.9029 4.2776 4.2776 4.3182 4.3182 5.0055 5.0055 5.0642 5.0642 5.6154 5.6154 5.6969 5.6969 6.0595 6.0595 6.0933 6.0933 9.4652 9.4652 9.5218 9.5218 11.9202 11.9202 12.0583 12.0583 13.0199 13.0199 13.0404 13.0404 14.0868 14.0868 14.1760 14.1760 k = 0.3788-0.0000 0.3638 ( 5568 PWs) bands (ev): -17.5739 -17.5739 -17.5732 -17.5732 -14.1456 -14.1456 -14.1443 -14.1443 -13.3382 -13.3382 -13.3369 -13.3369 -11.2365 -11.2365 -11.2359 -11.2359 -3.4243 -3.4243 -3.3877 -3.3877 -1.3409 -1.3409 -1.2878 -1.2878 -0.9295 -0.9295 -0.8864 -0.8864 -0.4627 -0.4627 -0.2646 -0.2646 0.2263 0.2263 0.3016 0.3016 0.4144 0.4144 0.6662 0.6662 1.0207 1.0207 1.2053 1.2053 1.4817 1.4817 1.6479 1.6479 1.9592 1.9592 2.1386 2.1386 2.2784 2.2784 2.5158 2.5158 2.6793 2.6793 2.8343 2.8343 3.2609 3.2609 3.3294 3.3294 3.8018 3.8018 3.9045 3.9045 4.2836 4.2836 4.3243 4.3243 5.0131 5.0131 5.0702 5.0702 5.6266 5.6267 5.7076 5.7076 6.0789 6.0789 6.1101 6.1101 9.4852 9.4852 9.5395 9.5395 11.9077 11.9077 12.0453 12.0453 13.0111 13.0111 13.0305 13.0305 14.0838 14.0838 14.1709 14.1709 k = 0.3939-0.0000 0.3638 ( 5566 PWs) bands (ev): -17.5727 -17.5727 -17.5720 -17.5720 -14.1469 -14.1469 -14.1458 -14.1458 -13.3393 -13.3393 -13.3382 -13.3382 -11.2369 -11.2369 -11.2364 -11.2364 -3.4192 -3.4192 -3.3826 -3.3826 -1.3311 -1.3311 -1.2826 -1.2826 -0.9195 -0.9195 -0.8802 -0.8802 -0.4530 -0.4530 -0.2538 -0.2538 0.2264 0.2264 0.2944 0.2944 0.4195 0.4195 0.6769 0.6769 1.0122 1.0122 1.1899 1.1899 1.4704 1.4704 1.6192 1.6192 1.9594 1.9594 2.1305 2.1305 2.2638 2.2638 2.4956 2.4956 2.6747 2.6747 2.8167 2.8167 3.2560 3.2560 3.3199 3.3199 3.8037 3.8037 3.9060 3.9060 4.2890 4.2890 4.3297 4.3297 5.0199 5.0199 5.0755 5.0755 5.6367 5.6367 5.7169 5.7169 6.0967 6.0967 6.1249 6.1249 9.5034 9.5034 9.5554 9.5554 11.8967 11.8967 12.0340 12.0340 13.0031 13.0031 13.0213 13.0213 14.0814 14.0814 14.1665 14.1665 k = 0.4091-0.0000 0.3638 ( 5570 PWs) bands (ev): -17.5715 -17.5715 -17.5710 -17.5710 -14.1481 -14.1481 -14.1472 -14.1472 -13.3404 -13.3404 -13.3394 -13.3394 -11.2372 -11.2372 -11.2367 -11.2367 -3.4147 -3.4147 -3.3781 -3.3781 -1.3218 -1.3218 -1.2783 -1.2783 -0.9103 -0.9103 -0.8754 -0.8754 -0.4433 -0.4433 -0.2439 -0.2439 0.2267 0.2267 0.2863 0.2863 0.4245 0.4245 0.6877 0.6877 1.0062 1.0062 1.1729 1.1729 1.4617 1.4617 1.5923 1.5923 1.9618 1.9618 2.1219 2.1219 2.2528 2.2528 2.4756 2.4756 2.6722 2.6722 2.8004 2.8004 3.2520 3.2520 3.3113 3.3113 3.8054 3.8054 3.9074 3.9074 4.2936 4.2936 4.3343 4.3343 5.0258 5.0258 5.0801 5.0801 5.6455 5.6455 5.7250 5.7250 6.1127 6.1127 6.1377 6.1377 9.5196 9.5196 9.5694 9.5694 11.8873 11.8873 12.0242 12.0242 12.9958 12.9958 13.0130 13.0130 14.0794 14.0794 14.1625 14.1625 k = 0.4242-0.0000 0.3638 ( 5564 PWs) bands (ev): -17.5706 -17.5706 -17.5701 -17.5701 -14.1491 -14.1491 -14.1483 -14.1483 -13.3412 -13.3412 -13.3404 -13.3404 -11.2375 -11.2375 -11.2370 -11.2370 -3.4108 -3.4108 -3.3743 -3.3743 -1.3133 -1.3133 -1.2750 -1.2750 -0.9021 -0.9021 -0.8721 -0.8721 -0.4341 -0.4341 -0.2353 -0.2353 0.2273 0.2273 0.2780 0.2780 0.4289 0.4289 0.6979 0.6979 1.0033 1.0033 1.1544 1.1544 1.4559 1.4559 1.5675 1.5675 1.9662 1.9662 2.1121 2.1121 2.2456 2.2456 2.4564 2.4564 2.6714 2.6714 2.7857 2.7857 3.2490 3.2490 3.3035 3.3035 3.8070 3.8070 3.9086 3.9086 4.2975 4.2975 4.3383 4.3383 5.0308 5.0308 5.0840 5.0840 5.6531 5.6531 5.7317 5.7317 6.1268 6.1268 6.1483 6.1483 9.5337 9.5337 9.5813 9.5813 11.8795 11.8795 12.0159 12.0159 12.9895 12.9895 13.0058 13.0058 14.0778 14.0778 14.1593 14.1593 k = 0.4394-0.0000 0.3638 ( 5558 PWs) bands (ev): -17.5698 -17.5698 -17.5693 -17.5693 -14.1500 -14.1500 -14.1493 -14.1493 -13.3419 -13.3419 -13.3412 -13.3412 -11.2378 -11.2378 -11.2373 -11.2373 -3.4076 -3.4076 -3.3710 -3.3710 -1.3057 -1.3057 -1.2727 -1.2727 -0.8947 -0.8947 -0.8701 -0.8701 -0.4258 -0.4258 -0.2281 -0.2281 0.2283 0.2283 0.2699 0.2699 0.4325 0.4325 0.7071 0.7071 1.0037 1.0037 1.1347 1.1347 1.4531 1.4531 1.5452 1.5452 1.9721 1.9721 2.1012 2.1012 2.2420 2.2420 2.4387 2.4387 2.6719 2.6719 2.7727 2.7727 3.2469 3.2469 3.2969 3.2969 3.8083 3.8083 3.9097 3.9097 4.3007 4.3007 4.3415 4.3415 5.0348 5.0348 5.0872 5.0872 5.6593 5.6593 5.7372 5.7372 6.1390 6.1390 6.1567 6.1567 9.5454 9.5454 9.5911 9.5911 11.8731 11.8731 12.0092 12.0092 12.9842 12.9842 12.9997 12.9997 14.0765 14.0765 14.1565 14.1565 k = 0.4545-0.0000 0.3638 ( 5560 PWs) bands (ev): -17.5692 -17.5692 -17.5688 -17.5688 -14.1506 -14.1506 -14.1501 -14.1501 -13.3425 -13.3425 -13.3419 -13.3419 -11.2380 -11.2380 -11.2375 -11.2375 -3.4050 -3.4050 -3.3685 -3.3685 -1.2992 -1.2992 -1.2713 -1.2713 -0.8882 -0.8882 -0.8693 -0.8693 -0.4188 -0.4188 -0.2223 -0.2223 0.2299 0.2299 0.2625 0.2625 0.4353 0.4353 0.7148 0.7148 1.0077 1.0077 1.1147 1.1147 1.4533 1.4533 1.5256 1.5256 1.9790 1.9790 2.0901 2.0901 2.2410 2.2410 2.4234 2.4234 2.6733 2.6733 2.7617 2.7617 3.2454 3.2454 3.2915 3.2915 3.8094 3.8094 3.9105 3.9105 4.3032 4.3032 4.3440 4.3440 5.0380 5.0380 5.0897 5.0897 5.6642 5.6642 5.7414 5.7414 6.1489 6.1489 6.1629 6.1629 9.5547 9.5547 9.5987 9.5987 11.8682 11.8682 12.0041 12.0041 12.9800 12.9800 12.9948 12.9948 14.0756 14.0756 14.1544 14.1544 k = 0.4697-0.0000 0.3638 ( 5562 PWs) bands (ev): -17.5687 -17.5687 -17.5684 -17.5684 -14.1511 -14.1511 -14.1507 -14.1507 -13.3428 -13.3428 -13.3424 -13.3424 -11.2381 -11.2381 -11.2377 -11.2377 -3.4032 -3.4032 -3.3667 -3.3667 -1.2941 -1.2941 -1.2707 -1.2707 -0.8826 -0.8826 -0.8698 -0.8698 -0.4135 -0.4135 -0.2181 -0.2181 0.2318 0.2318 0.2561 0.2561 0.4373 0.4373 0.7205 0.7205 1.0149 1.0149 1.0955 1.0955 1.4560 1.4560 1.5092 1.5092 1.9858 1.9858 2.0798 2.0798 2.2416 2.2416 2.4114 2.4114 2.6751 2.6751 2.7531 2.7531 3.2446 3.2446 3.2874 3.2874 3.8102 3.8102 3.9111 3.9111 4.3050 4.3050 4.3457 4.3457 5.0403 5.0403 5.0914 5.0914 5.6677 5.6677 5.7444 5.7444 6.1566 6.1566 6.1668 6.1668 9.5614 9.5614 9.6042 9.6042 11.8647 11.8647 12.0004 12.0004 12.9769 12.9769 12.9913 12.9913 14.0749 14.0749 14.1529 14.1529 k = 0.4848-0.0000 0.3638 ( 5564 PWs) bands (ev): -17.5684 -17.5684 -17.5681 -17.5681 -14.1514 -14.1514 -14.1510 -14.1510 -13.3430 -13.3430 -13.3427 -13.3427 -11.2382 -11.2382 -11.2378 -11.2378 -3.4021 -3.4021 -3.3656 -3.3656 -1.2907 -1.2907 -1.2706 -1.2706 -0.8780 -0.8780 -0.8714 -0.8714 -0.4102 -0.4102 -0.2156 -0.2156 0.2338 0.2338 0.2512 0.2512 0.4385 0.4385 0.7240 0.7240 1.0234 1.0234 1.0795 1.0795 1.4601 1.4601 1.4969 1.4969 1.9913 1.9913 2.0722 2.0722 2.2426 2.2426 2.4037 2.4037 2.6766 2.6766 2.7476 2.7476 3.2441 3.2441 3.2849 3.2849 3.8107 3.8107 3.9115 3.9115 4.3061 4.3061 4.3468 4.3468 5.0417 5.0417 5.0925 5.0925 5.6698 5.6698 5.7462 5.7462 6.1618 6.1618 6.1687 6.1687 9.5655 9.5655 9.6075 9.6075 11.8626 11.8626 11.9982 11.9982 12.9751 12.9751 12.9891 12.9891 14.0745 14.0745 14.1520 14.1520 k = 0.5000-0.0000 0.3638 ( 5568 PWs) bands (ev): -17.5683 -17.5683 -17.5680 -17.5680 -14.1515 -14.1515 -14.1511 -14.1511 -13.3431 -13.3431 -13.3428 -13.3428 -11.2382 -11.2382 -11.2378 -11.2378 -3.4017 -3.4017 -3.3652 -3.3652 -1.2895 -1.2895 -1.2706 -1.2706 -0.8750 -0.8750 -0.8733 -0.8733 -0.4091 -0.4091 -0.2147 -0.2147 0.2349 0.2349 0.2493 0.2493 0.4389 0.4389 0.7252 0.7252 1.0281 1.0281 1.0722 1.0722 1.4625 1.4625 1.4917 1.4917 1.9934 1.9934 2.0693 2.0693 2.2431 2.2431 2.4011 2.4011 2.6772 2.6772 2.7456 2.7456 3.2440 3.2440 3.2841 3.2841 3.8109 3.8109 3.9117 3.9117 4.3065 4.3065 4.3471 4.3471 5.0421 5.0421 5.0928 5.0928 5.6705 5.6705 5.7468 5.7468 6.1638 6.1638 6.1691 6.1691 9.5669 9.5669 9.6086 9.6086 11.8619 11.8619 11.9974 11.9974 12.9744 12.9744 12.9884 12.9884 14.0744 14.0744 14.1517 14.1517 Writing output data file HgSO4.save init_run : 4.05s CPU 12.20s WALL ( 1 calls) electrons : 3440.08s CPU 3464.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.42s CPU 1.51s WALL ( 1 calls) Called by electrons: c_bands : 3440.06s CPU 3464.16s WALL ( 1 calls) v_of_rho : 0.22s CPU 0.84s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.19s CPU 0.62s WALL ( 1 calls) newd : 0.66s CPU 0.95s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.11s WALL ( 274 calls) cegterg : 3349.02s CPU 3370.23s WALL ( 890 calls) Called by sum_band: Called by *egterg: h_psi : 1109.59s CPU 1124.27s WALL ( 15323 calls) s_psi : 153.00s CPU 153.47s WALL ( 15323 calls) g_psi : 2.56s CPU 2.59s WALL ( 14159 calls) cdiaghg : 1545.22s CPU 1544.94s WALL ( 14433 calls) cegterg:over : 306.79s CPU 305.90s WALL ( 14159 calls) cegterg:upda : 91.78s CPU 93.72s WALL ( 14159 calls) cegterg:last : 74.07s CPU 74.69s WALL ( 2808 calls) Called by h_psi: h_psi:vloc : 802.82s CPU 813.48s WALL ( 15323 calls) h_psi:vnl : 305.42s CPU 308.37s WALL ( 15323 calls) add_vuspsi : 119.28s CPU 123.00s WALL ( 15323 calls) General routines calbec : 186.02s CPU 185.24s WALL ( 15323 calls) fft : 0.75s CPU 1.49s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 759.13s CPU 770.69s WALL ( 3380064 calls) interpolate : 0.05s CPU 0.07s WALL ( 4 calls) davcio : 0.03s CPU 2.62s WALL ( 548 calls) Parallel routines fft_scatter : 516.11s CPU 514.38s WALL ( 3380087 calls) PWSCF : 0h58m CPU 1h 1m WALL This run was terminated on: 5:32:41 14Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=