Program PWSCF v.5.1.1 starts on 23Jul2015 at 12:26:10 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: ./HfSi2.save/ 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 42 30 9 1004 611 101 Max 43 31 10 1006 627 104 Sum 2017 1463 441 48235 29621 4881 bravais-lattice index = 14 lattice parameter (alat) = 14.1800 a.u. unit-cell volume = 658.7142 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.179961 celldm(2)= 1.000000 celldm(3)= 0.486293 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.879938 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.879938 0.475088 0.000000 ) a(3) = ( 0.000000 0.000000 0.486293 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.852158 -0.000000 ) b(2) = ( 0.000000 2.104872 -0.000000 ) b(3) = ( 0.000000 0.000000 2.056375 ) PseudoPot. # 1 for Hf read from file: /home/autes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 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 1271 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 Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Hf 12.00 178.49000 Hf( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.2431463 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.2431463 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 428 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 2) = ( 0.0057819 0.0228790 -0.0000000), wk = 0.0023364 k( 3) = ( 0.0115637 0.0457581 -0.0000000), wk = 0.0023364 k( 4) = ( 0.0173456 0.0686371 -0.0000000), wk = 0.0023364 k( 5) = ( 0.0231275 0.0915162 -0.0000000), wk = 0.0023364 k( 6) = ( 0.0289094 0.1143952 -0.0000000), wk = 0.0023364 k( 7) = ( 0.0346912 0.1372743 -0.0000000), wk = 0.0023364 k( 8) = ( 0.0404731 0.1601534 -0.0000000), wk = 0.0023364 k( 9) = ( 0.0462550 0.1830324 -0.0000000), wk = 0.0023364 k( 10) = ( 0.0520369 0.2059114 -0.0000000), wk = 0.0023364 k( 11) = ( 0.0578187 0.2287905 -0.0000000), wk = 0.0023364 k( 12) = ( 0.0636006 0.2516695 -0.0000000), wk = 0.0023364 k( 13) = ( 0.0693825 0.2745486 -0.0000000), wk = 0.0023364 k( 14) = ( 0.0751644 0.2974276 -0.0000000), wk = 0.0023364 k( 15) = ( 0.0809462 0.3203067 -0.0000000), wk = 0.0023364 k( 16) = ( 0.0867281 0.3431857 -0.0000000), wk = 0.0023364 k( 17) = ( 0.0925100 0.3660648 -0.0000000), wk = 0.0023364 k( 18) = ( 0.0982919 0.3889438 -0.0000000), wk = 0.0023364 k( 19) = ( 0.1040737 0.4118229 -0.0000000), wk = 0.0023364 k( 20) = ( 0.1098556 0.4347019 -0.0000000), wk = 0.0023364 k( 21) = ( 0.1156375 0.4575810 -0.0000000), wk = 0.0023364 k( 22) = ( 0.1214193 0.4804600 -0.0000000), wk = 0.0023364 k( 23) = ( 0.1272012 0.5033391 -0.0000000), wk = 0.0023364 k( 24) = ( 0.1329831 0.5262181 -0.0000000), wk = 0.0023364 k( 25) = ( 0.1387650 0.5490972 -0.0000000), wk = 0.0023364 k( 26) = ( 0.1445468 0.5719762 -0.0000000), wk = 0.0023364 k( 27) = ( 0.1503287 0.5948553 -0.0000000), wk = 0.0023364 k( 28) = ( 0.1561106 0.6177343 -0.0000000), wk = 0.0023364 k( 29) = ( 0.1618925 0.6406134 -0.0000000), wk = 0.0023364 k( 30) = ( 0.1676743 0.6634924 -0.0000000), wk = 0.0023364 k( 31) = ( 0.1734562 0.6863715 -0.0000000), wk = 0.0023364 k( 32) = ( 0.1792381 0.7092505 -0.0000000), wk = 0.0023364 k( 33) = ( 0.1850200 0.7321296 -0.0000000), wk = 0.0023364 k( 34) = ( 0.1908018 0.7550086 -0.0000000), wk = 0.0023364 k( 35) = ( 0.1965837 0.7778877 -0.0000000), wk = 0.0023364 k( 36) = ( 0.2023656 0.8007667 -0.0000000), wk = 0.0023364 k( 37) = ( 0.2081475 0.8236457 -0.0000000), wk = 0.0023364 k( 38) = ( 0.2139293 0.8465248 -0.0000000), wk = 0.0023364 k( 39) = ( 0.2197112 0.8694039 -0.0000000), wk = 0.0023364 k( 40) = ( 0.2254931 0.8922829 -0.0000000), wk = 0.0023364 k( 41) = ( 0.2312750 0.9151620 -0.0000000), wk = 0.0023364 k( 42) = ( 0.2370568 0.9380410 -0.0000000), wk = 0.0023364 k( 43) = ( 0.2428387 0.9609200 -0.0000000), wk = 0.0023364 k( 44) = ( 0.2486206 0.9837991 -0.0000000), wk = 0.0023364 k( 45) = ( 0.2544024 1.0066781 -0.0000000), wk = 0.0023364 k( 46) = ( 0.2601843 1.0295572 -0.0000000), wk = 0.0023364 k( 47) = ( 0.2659662 1.0524362 -0.0000000), wk = 0.0023364 k( 48) = ( 0.2659662 1.0524362 -0.0000000), wk = 0.0023364 k( 49) = ( 0.2438023 1.0524362 -0.0000000), wk = 0.0023364 k( 50) = ( 0.2216385 1.0524362 -0.0000000), wk = 0.0023364 k( 51) = ( 0.1994746 1.0524362 -0.0000000), wk = 0.0023364 k( 52) = ( 0.1773108 1.0524362 -0.0000000), wk = 0.0023364 k( 53) = ( 0.1551469 1.0524362 -0.0000000), wk = 0.0023364 k( 54) = ( 0.1329831 1.0524362 -0.0000000), wk = 0.0023364 k( 55) = ( 0.1108192 1.0524362 -0.0000000), wk = 0.0023364 k( 56) = ( 0.0886554 1.0524362 -0.0000000), wk = 0.0023364 k( 57) = ( 0.0664915 1.0524363 -0.0000000), wk = 0.0023364 k( 58) = ( 0.0443277 1.0524362 -0.0000000), wk = 0.0023364 k( 59) = ( 0.0221638 1.0524362 -0.0000000), wk = 0.0023364 k( 60) = ( 0.0000000 1.0524362 -0.0000000), wk = 0.0023364 k( 61) = ( 0.0000000 1.0524362 -0.0000000), wk = 0.0023364 k( 62) = ( 0.0000000 1.0524362 0.0233679), wk = 0.0023364 k( 63) = ( 0.0000000 1.0524362 0.0467358), wk = 0.0023364 k( 64) = ( 0.0000000 1.0524362 0.0701037), wk = 0.0023364 k( 65) = ( 0.0000000 1.0524362 0.0934716), wk = 0.0023364 k( 66) = ( 0.0000000 1.0524362 0.1168395), wk = 0.0023364 k( 67) = ( 0.0000000 1.0524362 0.1402074), wk = 0.0023364 k( 68) = ( 0.0000000 1.0524362 0.1635753), wk = 0.0023364 k( 69) = ( 0.0000000 1.0524362 0.1869432), wk = 0.0023364 k( 70) = ( 0.0000000 1.0524362 0.2103111), wk = 0.0023364 k( 71) = ( 0.0000000 1.0524362 0.2336790), wk = 0.0023364 k( 72) = ( 0.0000000 1.0524362 0.2570469), wk = 0.0023364 k( 73) = ( 0.0000000 1.0524362 0.2804148), wk = 0.0023364 k( 74) = ( 0.0000000 1.0524362 0.3037827), wk = 0.0023364 k( 75) = ( 0.0000000 1.0524362 0.3271506), wk = 0.0023364 k( 76) = ( 0.0000000 1.0524362 0.3505185), wk = 0.0023364 k( 77) = ( 0.0000000 1.0524362 0.3738864), wk = 0.0023364 k( 78) = ( 0.0000000 1.0524362 0.3972543), wk = 0.0023364 k( 79) = ( 0.0000000 1.0524362 0.4206222), wk = 0.0023364 k( 80) = ( 0.0000000 1.0524362 0.4439901), wk = 0.0023364 k( 81) = ( 0.0000000 1.0524362 0.4673580), wk = 0.0023364 k( 82) = ( 0.0000000 1.0524362 0.4907259), wk = 0.0023364 k( 83) = ( 0.0000000 1.0524362 0.5140938), wk = 0.0023364 k( 84) = ( 0.0000000 1.0524362 0.5374617), wk = 0.0023364 k( 85) = ( 0.0000000 1.0524362 0.5608296), wk = 0.0023364 k( 86) = ( 0.0000000 1.0524362 0.5841975), wk = 0.0023364 k( 87) = ( 0.0000000 1.0524362 0.6075654), wk = 0.0023364 k( 88) = ( 0.0000000 1.0524362 0.6309333), wk = 0.0023364 k( 89) = ( 0.0000000 1.0524362 0.6543012), wk = 0.0023364 k( 90) = ( 0.0000000 1.0524362 0.6776691), wk = 0.0023364 k( 91) = ( 0.0000000 1.0524362 0.7010370), wk = 0.0023364 k( 92) = ( 0.0000000 1.0524362 0.7244049), wk = 0.0023364 k( 93) = ( 0.0000000 1.0524362 0.7477728), wk = 0.0023364 k( 94) = ( 0.0000000 1.0524362 0.7711407), wk = 0.0023364 k( 95) = ( 0.0000000 1.0524362 0.7945086), wk = 0.0023364 k( 96) = ( 0.0000000 1.0524362 0.8178765), wk = 0.0023364 k( 97) = ( 0.0000000 1.0524362 0.8412444), wk = 0.0023364 k( 98) = ( 0.0000000 1.0524362 0.8646123), wk = 0.0023364 k( 99) = ( 0.0000000 1.0524362 0.8879802), wk = 0.0023364 k( 100) = ( 0.0000000 1.0524362 0.9113481), wk = 0.0023364 k( 101) = ( 0.0000000 1.0524362 0.9347160), wk = 0.0023364 k( 102) = ( 0.0000000 1.0524362 0.9580839), wk = 0.0023364 k( 103) = ( 0.0000000 1.0524362 0.9814518), wk = 0.0023364 k( 104) = ( 0.0000000 1.0524362 1.0048197), wk = 0.0023364 k( 105) = ( 0.0000000 1.0524362 1.0281876), wk = 0.0023364 k( 106) = ( 0.0000000 1.0524362 1.0281876), wk = 0.0023364 k( 107) = ( 0.0221638 1.0524362 1.0281876), wk = 0.0023364 k( 108) = ( 0.0443277 1.0524362 1.0281876), wk = 0.0023364 k( 109) = ( 0.0664915 1.0524363 1.0281876), wk = 0.0023364 k( 110) = ( 0.0886554 1.0524362 1.0281876), wk = 0.0023364 k( 111) = ( 0.1108192 1.0524362 1.0281876), wk = 0.0023364 k( 112) = ( 0.1329831 1.0524362 1.0281876), wk = 0.0023364 k( 113) = ( 0.1551469 1.0524362 1.0281876), wk = 0.0023364 k( 114) = ( 0.1773108 1.0524362 1.0281876), wk = 0.0023364 k( 115) = ( 0.1994746 1.0524362 1.0281876), wk = 0.0023364 k( 116) = ( 0.2216385 1.0524362 1.0281876), wk = 0.0023364 k( 117) = ( 0.2438023 1.0524362 1.0281876), wk = 0.0023364 k( 118) = ( 0.2659662 1.0524362 1.0281876), wk = 0.0023364 k( 119) = ( 0.2659662 1.0524362 1.0281876), wk = 0.0023364 k( 120) = ( 0.2601843 1.0295572 1.0281876), wk = 0.0023364 k( 121) = ( 0.2544024 1.0066781 1.0281876), wk = 0.0023364 k( 122) = ( 0.2486206 0.9837991 1.0281876), wk = 0.0023364 k( 123) = ( 0.2428387 0.9609200 1.0281876), wk = 0.0023364 k( 124) = ( 0.2370568 0.9380410 1.0281876), wk = 0.0023364 k( 125) = ( 0.2312750 0.9151620 1.0281876), wk = 0.0023364 k( 126) = ( 0.2254931 0.8922829 1.0281876), wk = 0.0023364 k( 127) = ( 0.2197112 0.8694039 1.0281876), wk = 0.0023364 k( 128) = ( 0.2139293 0.8465248 1.0281876), wk = 0.0023364 k( 129) = ( 0.2081475 0.8236457 1.0281876), wk = 0.0023364 k( 130) = ( 0.2023656 0.8007667 1.0281876), wk = 0.0023364 k( 131) = ( 0.1965837 0.7778877 1.0281876), wk = 0.0023364 k( 132) = ( 0.1908018 0.7550086 1.0281876), wk = 0.0023364 k( 133) = ( 0.1850200 0.7321296 1.0281876), wk = 0.0023364 k( 134) = ( 0.1792381 0.7092505 1.0281876), wk = 0.0023364 k( 135) = ( 0.1734562 0.6863715 1.0281876), wk = 0.0023364 k( 136) = ( 0.1676743 0.6634924 1.0281876), wk = 0.0023364 k( 137) = ( 0.1618925 0.6406134 1.0281876), wk = 0.0023364 k( 138) = ( 0.1561106 0.6177343 1.0281876), wk = 0.0023364 k( 139) = ( 0.1503287 0.5948553 1.0281876), wk = 0.0023364 k( 140) = ( 0.1445468 0.5719762 1.0281876), wk = 0.0023364 k( 141) = ( 0.1387650 0.5490972 1.0281876), wk = 0.0023364 k( 142) = ( 0.1329831 0.5262181 1.0281876), wk = 0.0023364 k( 143) = ( 0.1272012 0.5033391 1.0281876), wk = 0.0023364 k( 144) = ( 0.1214193 0.4804600 1.0281876), wk = 0.0023364 k( 145) = ( 0.1156375 0.4575810 1.0281876), wk = 0.0023364 k( 146) = ( 0.1098556 0.4347019 1.0281876), wk = 0.0023364 k( 147) = ( 0.1040737 0.4118229 1.0281876), wk = 0.0023364 k( 148) = ( 0.0982919 0.3889438 1.0281876), wk = 0.0023364 k( 149) = ( 0.0925100 0.3660648 1.0281876), wk = 0.0023364 k( 150) = ( 0.0867281 0.3431857 1.0281876), wk = 0.0023364 k( 151) = ( 0.0809462 0.3203067 1.0281876), wk = 0.0023364 k( 152) = ( 0.0751644 0.2974276 1.0281876), wk = 0.0023364 k( 153) = ( 0.0693825 0.2745486 1.0281876), wk = 0.0023364 k( 154) = ( 0.0636006 0.2516695 1.0281876), wk = 0.0023364 k( 155) = ( 0.0578187 0.2287905 1.0281876), wk = 0.0023364 k( 156) = ( 0.0520369 0.2059114 1.0281876), wk = 0.0023364 k( 157) = ( 0.0462550 0.1830324 1.0281876), wk = 0.0023364 k( 158) = ( 0.0404731 0.1601534 1.0281876), wk = 0.0023364 k( 159) = ( 0.0346912 0.1372743 1.0281876), wk = 0.0023364 k( 160) = ( 0.0289094 0.1143952 1.0281876), wk = 0.0023364 k( 161) = ( 0.0231275 0.0915162 1.0281876), wk = 0.0023364 k( 162) = ( 0.0173456 0.0686371 1.0281876), wk = 0.0023364 k( 163) = ( 0.0115637 0.0457581 1.0281876), wk = 0.0023364 k( 164) = ( 0.0057819 0.0228790 1.0281876), wk = 0.0023364 k( 165) = ( 0.0000000 0.0000000 1.0281876), wk = 0.0023364 k( 166) = ( 0.0000000 0.0000000 1.0281876), wk = 0.0023364 k( 167) = ( 0.0000000 0.0000000 1.0048197), wk = 0.0023364 k( 168) = ( 0.0000000 0.0000000 0.9814518), wk = 0.0023364 k( 169) = ( 0.0000000 0.0000000 0.9580839), wk = 0.0023364 k( 170) = ( 0.0000000 0.0000000 0.9347160), wk = 0.0023364 k( 171) = ( 0.0000000 0.0000000 0.9113481), wk = 0.0023364 k( 172) = ( 0.0000000 0.0000000 0.8879802), wk = 0.0023364 k( 173) = ( 0.0000000 0.0000000 0.8646123), wk = 0.0023364 k( 174) = ( 0.0000000 0.0000000 0.8412444), wk = 0.0023364 k( 175) = ( 0.0000000 0.0000000 0.8178765), wk = 0.0023364 k( 176) = ( 0.0000000 0.0000000 0.7945086), wk = 0.0023364 k( 177) = ( 0.0000000 0.0000000 0.7711407), wk = 0.0023364 k( 178) = ( 0.0000000 0.0000000 0.7477728), wk = 0.0023364 k( 179) = ( 0.0000000 0.0000000 0.7244049), wk = 0.0023364 k( 180) = ( 0.0000000 0.0000000 0.7010370), wk = 0.0023364 k( 181) = ( 0.0000000 0.0000000 0.6776691), wk = 0.0023364 k( 182) = ( 0.0000000 0.0000000 0.6543012), wk = 0.0023364 k( 183) = ( 0.0000000 0.0000000 0.6309333), wk = 0.0023364 k( 184) = ( 0.0000000 0.0000000 0.6075654), wk = 0.0023364 k( 185) = ( 0.0000000 0.0000000 0.5841975), wk = 0.0023364 k( 186) = ( 0.0000000 0.0000000 0.5608296), wk = 0.0023364 k( 187) = ( 0.0000000 0.0000000 0.5374617), wk = 0.0023364 k( 188) = ( 0.0000000 0.0000000 0.5140938), wk = 0.0023364 k( 189) = ( 0.0000000 0.0000000 0.4907259), wk = 0.0023364 k( 190) = ( 0.0000000 0.0000000 0.4673580), wk = 0.0023364 k( 191) = ( 0.0000000 0.0000000 0.4439901), wk = 0.0023364 k( 192) = ( 0.0000000 0.0000000 0.4206222), wk = 0.0023364 k( 193) = ( 0.0000000 0.0000000 0.3972543), wk = 0.0023364 k( 194) = ( 0.0000000 0.0000000 0.3738864), wk = 0.0023364 k( 195) = ( 0.0000000 0.0000000 0.3505185), wk = 0.0023364 k( 196) = ( 0.0000000 0.0000000 0.3271506), wk = 0.0023364 k( 197) = ( 0.0000000 0.0000000 0.3037827), wk = 0.0023364 k( 198) = ( 0.0000000 0.0000000 0.2804148), wk = 0.0023364 k( 199) = ( 0.0000000 0.0000000 0.2570469), wk = 0.0023364 k( 200) = ( 0.0000000 0.0000000 0.2336790), wk = 0.0023364 k( 201) = ( 0.0000000 0.0000000 0.2103111), wk = 0.0023364 k( 202) = ( 0.0000000 0.0000000 0.1869432), wk = 0.0023364 k( 203) = ( 0.0000000 0.0000000 0.1635753), wk = 0.0023364 k( 204) = ( 0.0000000 0.0000000 0.1402074), wk = 0.0023364 k( 205) = ( 0.0000000 0.0000000 0.1168395), wk = 0.0023364 k( 206) = ( 0.0000000 0.0000000 0.0934716), wk = 0.0023364 k( 207) = ( 0.0000000 0.0000000 0.0701037), wk = 0.0023364 k( 208) = ( 0.0000000 0.0000000 0.0467358), wk = 0.0023364 k( 209) = ( 0.0000000 0.0000000 0.0233679), wk = 0.0023364 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 212) = ( -0.0227273 0.0057435 0.0000000), wk = 0.0023364 k( 213) = ( -0.0454546 0.0114870 0.0000000), wk = 0.0023364 k( 214) = ( -0.0681818 0.0172306 0.0000000), wk = 0.0023364 k( 215) = ( -0.0909091 0.0229741 0.0000000), wk = 0.0023364 k( 216) = ( -0.1136364 0.0287176 0.0000000), wk = 0.0023364 k( 217) = ( -0.1363636 0.0344611 0.0000000), wk = 0.0023364 k( 218) = ( -0.1590909 0.0402046 0.0000000), wk = 0.0023364 k( 219) = ( -0.1818182 0.0459481 0.0000000), wk = 0.0023364 k( 220) = ( -0.2045454 0.0516917 0.0000000), wk = 0.0023364 k( 221) = ( -0.2272727 0.0574352 0.0000000), wk = 0.0023364 k( 222) = ( -0.2500000 0.0631787 0.0000000), wk = 0.0023364 k( 223) = ( -0.2727273 0.0689222 0.0000000), wk = 0.0023364 k( 224) = ( -0.2954545 0.0746657 0.0000000), wk = 0.0023364 k( 225) = ( -0.3181818 0.0804092 0.0000000), wk = 0.0023364 k( 226) = ( -0.3409091 0.0861528 0.0000000), wk = 0.0023364 k( 227) = ( -0.3636364 0.0918963 0.0000000), wk = 0.0023364 k( 228) = ( -0.3863636 0.0976398 0.0000000), wk = 0.0023364 k( 229) = ( -0.4090909 0.1033833 0.0000000), wk = 0.0023364 k( 230) = ( -0.4318182 0.1091268 0.0000000), wk = 0.0023364 k( 231) = ( -0.4545455 0.1148704 0.0000000), wk = 0.0023364 k( 232) = ( -0.4772727 0.1206139 0.0000000), wk = 0.0023364 k( 233) = ( -0.5000000 0.1263574 0.0000000), wk = 0.0023364 k( 234) = ( -0.5000000 0.1263574 0.0000000), wk = 0.0023364 k( 235) = ( -0.4941491 0.1495094 -0.0000000), wk = 0.0023364 k( 236) = ( -0.4882983 0.1726613 -0.0000000), wk = 0.0023364 k( 237) = ( -0.4824475 0.1958133 -0.0000000), wk = 0.0023364 k( 238) = ( -0.4765966 0.2189653 -0.0000000), wk = 0.0023364 k( 239) = ( -0.4707458 0.2421173 -0.0000000), wk = 0.0023364 k( 240) = ( -0.4648949 0.2652692 -0.0000000), wk = 0.0023364 k( 241) = ( -0.4590441 0.2884212 -0.0000000), wk = 0.0023364 k( 242) = ( -0.4531932 0.3115732 -0.0000000), wk = 0.0023364 k( 243) = ( -0.4473424 0.3347251 -0.0000000), wk = 0.0023364 k( 244) = ( -0.4414916 0.3578771 -0.0000000), wk = 0.0023364 k( 245) = ( -0.4356407 0.3810291 -0.0000000), wk = 0.0023364 k( 246) = ( -0.4297899 0.4041810 -0.0000000), wk = 0.0023364 k( 247) = ( -0.4239390 0.4273330 -0.0000000), wk = 0.0023364 k( 248) = ( -0.4180882 0.4504850 -0.0000000), wk = 0.0023364 k( 249) = ( -0.4122373 0.4736370 -0.0000000), wk = 0.0023364 k( 250) = ( -0.4063865 0.4967889 -0.0000000), wk = 0.0023364 k( 251) = ( -0.4005356 0.5199409 -0.0000000), wk = 0.0023364 k( 252) = ( -0.3946848 0.5430929 -0.0000000), wk = 0.0023364 k( 253) = ( -0.3888339 0.5662448 -0.0000000), wk = 0.0023364 k( 254) = ( -0.3829831 0.5893968 -0.0000000), wk = 0.0023364 k( 255) = ( -0.3771323 0.6125488 -0.0000000), wk = 0.0023364 k( 256) = ( -0.3712814 0.6357008 -0.0000000), wk = 0.0023364 k( 257) = ( -0.3654306 0.6588527 -0.0000000), wk = 0.0023364 k( 258) = ( -0.3595797 0.6820047 -0.0000000), wk = 0.0023364 k( 259) = ( -0.3537289 0.7051567 -0.0000000), wk = 0.0023364 k( 260) = ( -0.3478780 0.7283087 -0.0000000), wk = 0.0023364 k( 261) = ( -0.3420272 0.7514606 -0.0000000), wk = 0.0023364 k( 262) = ( -0.3361763 0.7746126 -0.0000000), wk = 0.0023364 k( 263) = ( -0.3303255 0.7977645 -0.0000000), wk = 0.0023364 k( 264) = ( -0.3244746 0.8209165 -0.0000000), wk = 0.0023364 k( 265) = ( -0.3186238 0.8440685 -0.0000000), wk = 0.0023364 k( 266) = ( -0.3127729 0.8672205 -0.0000000), wk = 0.0023364 k( 267) = ( -0.3069221 0.8903724 -0.0000000), wk = 0.0023364 k( 268) = ( -0.3010713 0.9135244 -0.0000000), wk = 0.0023364 k( 269) = ( -0.2952204 0.9366764 -0.0000000), wk = 0.0023364 k( 270) = ( -0.2893696 0.9598284 -0.0000000), wk = 0.0023364 k( 271) = ( -0.2835187 0.9829803 -0.0000000), wk = 0.0023364 k( 272) = ( -0.2776679 1.0061323 -0.0000000), wk = 0.0023364 k( 273) = ( -0.2718170 1.0292843 -0.0000000), wk = 0.0023364 k( 274) = ( -0.2659662 1.0524362 -0.0000000), wk = 0.0023364 k( 275) = ( -0.2659662 1.0524362 -0.0000000), wk = 0.0023364 k( 276) = ( -0.2659662 1.0524362 0.0233679), wk = 0.0023364 k( 277) = ( -0.2659662 1.0524362 0.0467358), wk = 0.0023364 k( 278) = ( -0.2659662 1.0524362 0.0701037), wk = 0.0023364 k( 279) = ( -0.2659662 1.0524362 0.0934716), wk = 0.0023364 k( 280) = ( -0.2659662 1.0524362 0.1168395), wk = 0.0023364 k( 281) = ( -0.2659662 1.0524362 0.1402074), wk = 0.0023364 k( 282) = ( -0.2659662 1.0524362 0.1635753), wk = 0.0023364 k( 283) = ( -0.2659662 1.0524362 0.1869432), wk = 0.0023364 k( 284) = ( -0.2659662 1.0524362 0.2103111), wk = 0.0023364 k( 285) = ( -0.2659662 1.0524362 0.2336790), wk = 0.0023364 k( 286) = ( -0.2659662 1.0524362 0.2570469), wk = 0.0023364 k( 287) = ( -0.2659662 1.0524362 0.2804148), wk = 0.0023364 k( 288) = ( -0.2659662 1.0524362 0.3037827), wk = 0.0023364 k( 289) = ( -0.2659662 1.0524362 0.3271506), wk = 0.0023364 k( 290) = ( -0.2659662 1.0524362 0.3505185), wk = 0.0023364 k( 291) = ( -0.2659662 1.0524362 0.3738864), wk = 0.0023364 k( 292) = ( -0.2659662 1.0524362 0.3972543), wk = 0.0023364 k( 293) = ( -0.2659662 1.0524362 0.4206222), wk = 0.0023364 k( 294) = ( -0.2659662 1.0524362 0.4439901), wk = 0.0023364 k( 295) = ( -0.2659662 1.0524362 0.4673580), wk = 0.0023364 k( 296) = ( -0.2659662 1.0524362 0.4907259), wk = 0.0023364 k( 297) = ( -0.2659662 1.0524362 0.5140938), wk = 0.0023364 k( 298) = ( -0.2659662 1.0524362 0.5374617), wk = 0.0023364 k( 299) = ( -0.2659662 1.0524362 0.5608296), wk = 0.0023364 k( 300) = ( -0.2659662 1.0524362 0.5841975), wk = 0.0023364 k( 301) = ( -0.2659662 1.0524362 0.6075654), wk = 0.0023364 k( 302) = ( -0.2659662 1.0524362 0.6309333), wk = 0.0023364 k( 303) = ( -0.2659662 1.0524362 0.6543012), wk = 0.0023364 k( 304) = ( -0.2659662 1.0524362 0.6776691), wk = 0.0023364 k( 305) = ( -0.2659662 1.0524362 0.7010370), wk = 0.0023364 k( 306) = ( -0.2659662 1.0524362 0.7244049), wk = 0.0023364 k( 307) = ( -0.2659662 1.0524362 0.7477728), wk = 0.0023364 k( 308) = ( -0.2659662 1.0524362 0.7711407), wk = 0.0023364 k( 309) = ( -0.2659662 1.0524362 0.7945086), wk = 0.0023364 k( 310) = ( -0.2659662 1.0524362 0.8178765), wk = 0.0023364 k( 311) = ( -0.2659662 1.0524362 0.8412444), wk = 0.0023364 k( 312) = ( -0.2659662 1.0524362 0.8646123), wk = 0.0023364 k( 313) = ( -0.2659662 1.0524362 0.8879802), wk = 0.0023364 k( 314) = ( -0.2659662 1.0524362 0.9113481), wk = 0.0023364 k( 315) = ( -0.2659662 1.0524362 0.9347160), wk = 0.0023364 k( 316) = ( -0.2659662 1.0524362 0.9580839), wk = 0.0023364 k( 317) = ( -0.2659662 1.0524362 0.9814518), wk = 0.0023364 k( 318) = ( -0.2659662 1.0524362 1.0048197), wk = 0.0023364 k( 319) = ( -0.2659662 1.0524362 1.0281876), wk = 0.0023364 k( 320) = ( -0.2659662 1.0524362 1.0281876), wk = 0.0023364 k( 321) = ( -0.2718170 1.0292843 1.0281876), wk = 0.0023364 k( 322) = ( -0.2776679 1.0061323 1.0281876), wk = 0.0023364 k( 323) = ( -0.2835187 0.9829803 1.0281876), wk = 0.0023364 k( 324) = ( -0.2893696 0.9598284 1.0281876), wk = 0.0023364 k( 325) = ( -0.2952204 0.9366764 1.0281876), wk = 0.0023364 k( 326) = ( -0.3010713 0.9135244 1.0281876), wk = 0.0023364 k( 327) = ( -0.3069221 0.8903724 1.0281876), wk = 0.0023364 k( 328) = ( -0.3127729 0.8672205 1.0281876), wk = 0.0023364 k( 329) = ( -0.3186238 0.8440685 1.0281876), wk = 0.0023364 k( 330) = ( -0.3244746 0.8209165 1.0281876), wk = 0.0023364 k( 331) = ( -0.3303255 0.7977645 1.0281876), wk = 0.0023364 k( 332) = ( -0.3361763 0.7746126 1.0281876), wk = 0.0023364 k( 333) = ( -0.3420272 0.7514606 1.0281876), wk = 0.0023364 k( 334) = ( -0.3478780 0.7283087 1.0281876), wk = 0.0023364 k( 335) = ( -0.3537289 0.7051567 1.0281876), wk = 0.0023364 k( 336) = ( -0.3595797 0.6820047 1.0281876), wk = 0.0023364 k( 337) = ( -0.3654306 0.6588527 1.0281876), wk = 0.0023364 k( 338) = ( -0.3712814 0.6357008 1.0281876), wk = 0.0023364 k( 339) = ( -0.3771323 0.6125488 1.0281876), wk = 0.0023364 k( 340) = ( -0.3829831 0.5893968 1.0281876), wk = 0.0023364 k( 341) = ( -0.3888339 0.5662448 1.0281876), wk = 0.0023364 k( 342) = ( -0.3946848 0.5430929 1.0281876), wk = 0.0023364 k( 343) = ( -0.4005356 0.5199409 1.0281876), wk = 0.0023364 k( 344) = ( -0.4063865 0.4967889 1.0281876), wk = 0.0023364 k( 345) = ( -0.4122373 0.4736370 1.0281876), wk = 0.0023364 k( 346) = ( -0.4180882 0.4504850 1.0281876), wk = 0.0023364 k( 347) = ( -0.4239390 0.4273330 1.0281876), wk = 0.0023364 k( 348) = ( -0.4297899 0.4041810 1.0281876), wk = 0.0023364 k( 349) = ( -0.4356407 0.3810291 1.0281876), wk = 0.0023364 k( 350) = ( -0.4414916 0.3578771 1.0281876), wk = 0.0023364 k( 351) = ( -0.4473424 0.3347251 1.0281876), wk = 0.0023364 k( 352) = ( -0.4531932 0.3115732 1.0281876), wk = 0.0023364 k( 353) = ( -0.4590441 0.2884212 1.0281876), wk = 0.0023364 k( 354) = ( -0.4648949 0.2652692 1.0281876), wk = 0.0023364 k( 355) = ( -0.4707458 0.2421173 1.0281876), wk = 0.0023364 k( 356) = ( -0.4765966 0.2189653 1.0281876), wk = 0.0023364 k( 357) = ( -0.4824475 0.1958133 1.0281876), wk = 0.0023364 k( 358) = ( -0.4882983 0.1726613 1.0281876), wk = 0.0023364 k( 359) = ( -0.4941491 0.1495094 1.0281876), wk = 0.0023364 k( 360) = ( -0.5000000 0.1263574 1.0281876), wk = 0.0023364 k( 361) = ( -0.5000000 0.1263574 1.0281876), wk = 0.0023364 k( 362) = ( -0.5000000 0.1263574 1.0048197), wk = 0.0023364 k( 363) = ( -0.5000000 0.1263574 0.9814518), wk = 0.0023364 k( 364) = ( -0.5000000 0.1263574 0.9580839), wk = 0.0023364 k( 365) = ( -0.5000000 0.1263574 0.9347160), wk = 0.0023364 k( 366) = ( -0.5000000 0.1263574 0.9113481), wk = 0.0023364 k( 367) = ( -0.5000000 0.1263574 0.8879802), wk = 0.0023364 k( 368) = ( -0.5000000 0.1263574 0.8646123), wk = 0.0023364 k( 369) = ( -0.5000000 0.1263574 0.8412444), wk = 0.0023364 k( 370) = ( -0.5000000 0.1263574 0.8178765), wk = 0.0023364 k( 371) = ( -0.5000000 0.1263574 0.7945086), wk = 0.0023364 k( 372) = ( -0.5000000 0.1263574 0.7711407), wk = 0.0023364 k( 373) = ( -0.5000000 0.1263574 0.7477728), wk = 0.0023364 k( 374) = ( -0.5000000 0.1263574 0.7244049), wk = 0.0023364 k( 375) = ( -0.5000000 0.1263574 0.7010370), wk = 0.0023364 k( 376) = ( -0.5000000 0.1263574 0.6776691), wk = 0.0023364 k( 377) = ( -0.5000000 0.1263574 0.6543012), wk = 0.0023364 k( 378) = ( -0.5000000 0.1263574 0.6309333), wk = 0.0023364 k( 379) = ( -0.5000000 0.1263574 0.6075654), wk = 0.0023364 k( 380) = ( -0.5000000 0.1263574 0.5841975), wk = 0.0023364 k( 381) = ( -0.5000000 0.1263574 0.5608296), wk = 0.0023364 k( 382) = ( -0.5000000 0.1263574 0.5374617), wk = 0.0023364 k( 383) = ( -0.5000000 0.1263574 0.5140938), wk = 0.0023364 k( 384) = ( -0.5000000 0.1263574 0.4907259), wk = 0.0023364 k( 385) = ( -0.5000000 0.1263574 0.4673580), wk = 0.0023364 k( 386) = ( -0.5000000 0.1263574 0.4439901), wk = 0.0023364 k( 387) = ( -0.5000000 0.1263574 0.4206222), wk = 0.0023364 k( 388) = ( -0.5000000 0.1263574 0.3972543), wk = 0.0023364 k( 389) = ( -0.5000000 0.1263574 0.3738864), wk = 0.0023364 k( 390) = ( -0.5000000 0.1263574 0.3505185), wk = 0.0023364 k( 391) = ( -0.5000000 0.1263574 0.3271506), wk = 0.0023364 k( 392) = ( -0.5000000 0.1263574 0.3037827), wk = 0.0023364 k( 393) = ( -0.5000000 0.1263574 0.2804148), wk = 0.0023364 k( 394) = ( -0.5000000 0.1263574 0.2570469), wk = 0.0023364 k( 395) = ( -0.5000000 0.1263574 0.2336790), wk = 0.0023364 k( 396) = ( -0.5000000 0.1263574 0.2103111), wk = 0.0023364 k( 397) = ( -0.5000000 0.1263574 0.1869432), wk = 0.0023364 k( 398) = ( -0.5000000 0.1263574 0.1635753), wk = 0.0023364 k( 399) = ( -0.5000000 0.1263574 0.1402074), wk = 0.0023364 k( 400) = ( -0.5000000 0.1263574 0.1168395), wk = 0.0023364 k( 401) = ( -0.5000000 0.1263574 0.0934716), wk = 0.0023364 k( 402) = ( -0.5000000 0.1263574 0.0701037), wk = 0.0023364 k( 403) = ( -0.5000000 0.1263574 0.0467358), wk = 0.0023364 k( 404) = ( -0.5000000 0.1263574 0.0233679), wk = 0.0023364 k( 405) = ( -0.5000000 0.1263574 0.0000000), wk = 0.0023364 k( 406) = ( 0.0000000 0.0000000 1.0281876), wk = 0.0023364 k( 407) = ( -0.0227273 0.0057435 1.0281876), wk = 0.0023364 k( 408) = ( -0.0454546 0.0114870 1.0281876), wk = 0.0023364 k( 409) = ( -0.0681818 0.0172306 1.0281876), wk = 0.0023364 k( 410) = ( -0.0909091 0.0229741 1.0281876), wk = 0.0023364 k( 411) = ( -0.1136364 0.0287176 1.0281876), wk = 0.0023364 k( 412) = ( -0.1363636 0.0344611 1.0281876), wk = 0.0023364 k( 413) = ( -0.1590909 0.0402046 1.0281876), wk = 0.0023364 k( 414) = ( -0.1818182 0.0459481 1.0281876), wk = 0.0023364 k( 415) = ( -0.2045454 0.0516917 1.0281876), wk = 0.0023364 k( 416) = ( -0.2272727 0.0574352 1.0281876), wk = 0.0023364 k( 417) = ( -0.2500000 0.0631787 1.0281876), wk = 0.0023364 k( 418) = ( -0.2727273 0.0689222 1.0281876), wk = 0.0023364 k( 419) = ( -0.2954545 0.0746657 1.0281876), wk = 0.0023364 k( 420) = ( -0.3181818 0.0804092 1.0281876), wk = 0.0023364 k( 421) = ( -0.3409091 0.0861528 1.0281876), wk = 0.0023364 k( 422) = ( -0.3636364 0.0918963 1.0281876), wk = 0.0023364 k( 423) = ( -0.3863636 0.0976398 1.0281876), wk = 0.0023364 k( 424) = ( -0.4090909 0.1033833 1.0281876), wk = 0.0023364 k( 425) = ( -0.4318182 0.1091268 1.0281876), wk = 0.0023364 k( 426) = ( -0.4545455 0.1148704 1.0281876), wk = 0.0023364 k( 427) = ( -0.4772727 0.1206139 1.0281876), wk = 0.0023364 k( 428) = ( -0.5000000 0.1263574 1.0281876), wk = 0.0023364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 2) = ( 0.0057819 0.0057819 0.0000000), wk = 0.0023364 k( 3) = ( 0.0115637 0.0115637 0.0000000), wk = 0.0023364 k( 4) = ( 0.0173456 0.0173456 0.0000000), wk = 0.0023364 k( 5) = ( 0.0231275 0.0231275 0.0000000), wk = 0.0023364 k( 6) = ( 0.0289094 0.0289094 0.0000000), wk = 0.0023364 k( 7) = ( 0.0346912 0.0346912 0.0000000), wk = 0.0023364 k( 8) = ( 0.0404731 0.0404731 0.0000000), wk = 0.0023364 k( 9) = ( 0.0462550 0.0462550 0.0000000), wk = 0.0023364 k( 10) = ( 0.0520369 0.0520369 -0.0000000), wk = 0.0023364 k( 11) = ( 0.0578187 0.0578187 0.0000000), wk = 0.0023364 k( 12) = ( 0.0636006 0.0636006 -0.0000000), wk = 0.0023364 k( 13) = ( 0.0693825 0.0693825 0.0000000), wk = 0.0023364 k( 14) = ( 0.0751644 0.0751644 0.0000000), wk = 0.0023364 k( 15) = ( 0.0809462 0.0809462 0.0000000), wk = 0.0023364 k( 16) = ( 0.0867281 0.0867281 0.0000000), wk = 0.0023364 k( 17) = ( 0.0925100 0.0925100 0.0000000), wk = 0.0023364 k( 18) = ( 0.0982919 0.0982918 -0.0000000), wk = 0.0023364 k( 19) = ( 0.1040737 0.1040737 0.0000000), wk = 0.0023364 k( 20) = ( 0.1098556 0.1098556 -0.0000000), wk = 0.0023364 k( 21) = ( 0.1156375 0.1156375 0.0000000), wk = 0.0023364 k( 22) = ( 0.1214193 0.1214193 -0.0000000), wk = 0.0023364 k( 23) = ( 0.1272012 0.1272012 -0.0000000), wk = 0.0023364 k( 24) = ( 0.1329831 0.1329831 0.0000000), wk = 0.0023364 k( 25) = ( 0.1387650 0.1387650 -0.0000000), wk = 0.0023364 k( 26) = ( 0.1445468 0.1445468 -0.0000000), wk = 0.0023364 k( 27) = ( 0.1503287 0.1503287 0.0000000), wk = 0.0023364 k( 28) = ( 0.1561106 0.1561106 -0.0000000), wk = 0.0023364 k( 29) = ( 0.1618925 0.1618925 0.0000000), wk = 0.0023364 k( 30) = ( 0.1676743 0.1676743 -0.0000000), wk = 0.0023364 k( 31) = ( 0.1734562 0.1734562 0.0000000), wk = 0.0023364 k( 32) = ( 0.1792381 0.1792381 0.0000000), wk = 0.0023364 k( 33) = ( 0.1850200 0.1850200 0.0000000), wk = 0.0023364 k( 34) = ( 0.1908018 0.1908018 -0.0000000), wk = 0.0023364 k( 35) = ( 0.1965837 0.1965837 -0.0000000), wk = 0.0023364 k( 36) = ( 0.2023656 0.2023656 0.0000000), wk = 0.0023364 k( 37) = ( 0.2081475 0.2081474 0.0000000), wk = 0.0023364 k( 38) = ( 0.2139293 0.2139293 0.0000000), wk = 0.0023364 k( 39) = ( 0.2197112 0.2197112 -0.0000000), wk = 0.0023364 k( 40) = ( 0.2254931 0.2254931 -0.0000000), wk = 0.0023364 k( 41) = ( 0.2312750 0.2312749 0.0000000), wk = 0.0023364 k( 42) = ( 0.2370568 0.2370568 0.0000000), wk = 0.0023364 k( 43) = ( 0.2428387 0.2428387 -0.0000000), wk = 0.0023364 k( 44) = ( 0.2486206 0.2486206 0.0000000), wk = 0.0023364 k( 45) = ( 0.2544024 0.2544024 -0.0000000), wk = 0.0023364 k( 46) = ( 0.2601843 0.2601843 0.0000000), wk = 0.0023364 k( 47) = ( 0.2659662 0.2659662 0.0000000), wk = 0.0023364 k( 48) = ( 0.2659662 0.2659662 0.0000000), wk = 0.0023364 k( 49) = ( 0.2438023 0.2854690 -0.0000000), wk = 0.0023364 k( 50) = ( 0.2216385 0.3049718 0.0000000), wk = 0.0023364 k( 51) = ( 0.1994746 0.3244746 0.0000000), wk = 0.0023364 k( 52) = ( 0.1773108 0.3439775 0.0000000), wk = 0.0023364 k( 53) = ( 0.1551469 0.3634803 0.0000000), wk = 0.0023364 k( 54) = ( 0.1329831 0.3829831 0.0000000), wk = 0.0023364 k( 55) = ( 0.1108192 0.4024859 0.0000000), wk = 0.0023364 k( 56) = ( 0.0886554 0.4219887 0.0000000), wk = 0.0023364 k( 57) = ( 0.0664915 0.4414915 -0.0000000), wk = 0.0023364 k( 58) = ( 0.0443277 0.4609944 0.0000000), wk = 0.0023364 k( 59) = ( 0.0221638 0.4804972 -0.0000000), wk = 0.0023364 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023364 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023364 k( 62) = ( 0.0000000 0.5000000 0.0113636), wk = 0.0023364 k( 63) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0023364 k( 64) = ( 0.0000000 0.5000000 0.0340909), wk = 0.0023364 k( 65) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0023364 k( 66) = ( 0.0000000 0.5000000 0.0568182), wk = 0.0023364 k( 67) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0023364 k( 68) = ( 0.0000000 0.5000000 0.0795455), wk = 0.0023364 k( 69) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0023364 k( 70) = ( 0.0000000 0.5000000 0.1022727), wk = 0.0023364 k( 71) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0023364 k( 72) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0023364 k( 73) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0023364 k( 74) = ( 0.0000000 0.5000000 0.1477273), wk = 0.0023364 k( 75) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0023364 k( 76) = ( 0.0000000 0.5000000 0.1704546), wk = 0.0023364 k( 77) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0023364 k( 78) = ( 0.0000000 0.5000000 0.1931818), wk = 0.0023364 k( 79) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0023364 k( 80) = ( 0.0000000 0.5000000 0.2159091), wk = 0.0023364 k( 81) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0023364 k( 82) = ( 0.0000000 0.5000000 0.2386364), wk = 0.0023364 k( 83) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0023364 k( 84) = ( 0.0000000 0.5000000 0.2613636), wk = 0.0023364 k( 85) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0023364 k( 86) = ( 0.0000000 0.5000000 0.2840909), wk = 0.0023364 k( 87) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0023364 k( 88) = ( 0.0000000 0.5000000 0.3068182), wk = 0.0023364 k( 89) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0023364 k( 90) = ( 0.0000000 0.5000000 0.3295455), wk = 0.0023364 k( 91) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0023364 k( 92) = ( 0.0000000 0.5000000 0.3522727), wk = 0.0023364 k( 93) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0023364 k( 94) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0023364 k( 95) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0023364 k( 96) = ( 0.0000000 0.5000000 0.3977273), wk = 0.0023364 k( 97) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0023364 k( 98) = ( 0.0000000 0.5000000 0.4204546), wk = 0.0023364 k( 99) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0023364 k( 100) = ( 0.0000000 0.5000000 0.4431818), wk = 0.0023364 k( 101) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0023364 k( 102) = ( 0.0000000 0.5000000 0.4659091), wk = 0.0023364 k( 103) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0023364 k( 104) = ( 0.0000000 0.5000000 0.4886364), wk = 0.0023364 k( 105) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023364 k( 106) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023364 k( 107) = ( 0.0221638 0.4804972 0.5000000), wk = 0.0023364 k( 108) = ( 0.0443277 0.4609944 0.5000000), wk = 0.0023364 k( 109) = ( 0.0664915 0.4414915 0.5000000), wk = 0.0023364 k( 110) = ( 0.0886554 0.4219887 0.5000000), wk = 0.0023364 k( 111) = ( 0.1108192 0.4024859 0.5000000), wk = 0.0023364 k( 112) = ( 0.1329831 0.3829831 0.5000000), wk = 0.0023364 k( 113) = ( 0.1551469 0.3634803 0.5000000), wk = 0.0023364 k( 114) = ( 0.1773108 0.3439775 0.5000000), wk = 0.0023364 k( 115) = ( 0.1994746 0.3244746 0.5000000), wk = 0.0023364 k( 116) = ( 0.2216385 0.3049718 0.5000000), wk = 0.0023364 k( 117) = ( 0.2438023 0.2854690 0.5000000), wk = 0.0023364 k( 118) = ( 0.2659662 0.2659662 0.5000000), wk = 0.0023364 k( 119) = ( 0.2659662 0.2659662 0.5000000), wk = 0.0023364 k( 120) = ( 0.2601843 0.2601843 0.5000000), wk = 0.0023364 k( 121) = ( 0.2544024 0.2544024 0.5000000), wk = 0.0023364 k( 122) = ( 0.2486206 0.2486206 0.5000000), wk = 0.0023364 k( 123) = ( 0.2428387 0.2428387 0.5000000), wk = 0.0023364 k( 124) = ( 0.2370568 0.2370568 0.5000000), wk = 0.0023364 k( 125) = ( 0.2312750 0.2312749 0.5000000), wk = 0.0023364 k( 126) = ( 0.2254931 0.2254931 0.5000000), wk = 0.0023364 k( 127) = ( 0.2197112 0.2197112 0.5000000), wk = 0.0023364 k( 128) = ( 0.2139293 0.2139293 0.5000000), wk = 0.0023364 k( 129) = ( 0.2081475 0.2081474 0.5000000), wk = 0.0023364 k( 130) = ( 0.2023656 0.2023656 0.5000000), wk = 0.0023364 k( 131) = ( 0.1965837 0.1965837 0.5000000), wk = 0.0023364 k( 132) = ( 0.1908018 0.1908018 0.5000000), wk = 0.0023364 k( 133) = ( 0.1850200 0.1850200 0.5000000), wk = 0.0023364 k( 134) = ( 0.1792381 0.1792381 0.5000000), wk = 0.0023364 k( 135) = ( 0.1734562 0.1734562 0.5000000), wk = 0.0023364 k( 136) = ( 0.1676743 0.1676743 0.5000000), wk = 0.0023364 k( 137) = ( 0.1618925 0.1618925 0.5000000), wk = 0.0023364 k( 138) = ( 0.1561106 0.1561106 0.5000000), wk = 0.0023364 k( 139) = ( 0.1503287 0.1503287 0.5000000), wk = 0.0023364 k( 140) = ( 0.1445468 0.1445468 0.5000000), wk = 0.0023364 k( 141) = ( 0.1387650 0.1387650 0.5000000), wk = 0.0023364 k( 142) = ( 0.1329831 0.1329831 0.5000000), wk = 0.0023364 k( 143) = ( 0.1272012 0.1272012 0.5000000), wk = 0.0023364 k( 144) = ( 0.1214193 0.1214193 0.5000000), wk = 0.0023364 k( 145) = ( 0.1156375 0.1156375 0.5000000), wk = 0.0023364 k( 146) = ( 0.1098556 0.1098556 0.5000000), wk = 0.0023364 k( 147) = ( 0.1040737 0.1040737 0.5000000), wk = 0.0023364 k( 148) = ( 0.0982919 0.0982918 0.5000000), wk = 0.0023364 k( 149) = ( 0.0925100 0.0925100 0.5000000), wk = 0.0023364 k( 150) = ( 0.0867281 0.0867281 0.5000000), wk = 0.0023364 k( 151) = ( 0.0809462 0.0809462 0.5000000), wk = 0.0023364 k( 152) = ( 0.0751644 0.0751644 0.5000000), wk = 0.0023364 k( 153) = ( 0.0693825 0.0693825 0.5000000), wk = 0.0023364 k( 154) = ( 0.0636006 0.0636006 0.5000000), wk = 0.0023364 k( 155) = ( 0.0578187 0.0578187 0.5000000), wk = 0.0023364 k( 156) = ( 0.0520369 0.0520369 0.5000000), wk = 0.0023364 k( 157) = ( 0.0462550 0.0462550 0.5000000), wk = 0.0023364 k( 158) = ( 0.0404731 0.0404731 0.5000000), wk = 0.0023364 k( 159) = ( 0.0346912 0.0346912 0.5000000), wk = 0.0023364 k( 160) = ( 0.0289094 0.0289094 0.5000000), wk = 0.0023364 k( 161) = ( 0.0231275 0.0231275 0.5000000), wk = 0.0023364 k( 162) = ( 0.0173456 0.0173456 0.5000000), wk = 0.0023364 k( 163) = ( 0.0115637 0.0115637 0.5000000), wk = 0.0023364 k( 164) = ( 0.0057819 0.0057819 0.5000000), wk = 0.0023364 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 167) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0023364 k( 168) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0023364 k( 169) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0023364 k( 170) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0023364 k( 171) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0023364 k( 172) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0023364 k( 173) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0023364 k( 174) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0023364 k( 175) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0023364 k( 176) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0023364 k( 177) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0023364 k( 178) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0023364 k( 179) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0023364 k( 180) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0023364 k( 181) = ( 0.0000000 0.0000000 0.3295455), wk = 0.0023364 k( 182) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0023364 k( 183) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0023364 k( 184) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0023364 k( 185) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0023364 k( 186) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0023364 k( 187) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0023364 k( 188) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023364 k( 189) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0023364 k( 190) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0023364 k( 191) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0023364 k( 192) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0023364 k( 193) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0023364 k( 194) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0023364 k( 195) = ( 0.0000000 0.0000000 0.1704546), wk = 0.0023364 k( 196) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0023364 k( 197) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0023364 k( 198) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0023364 k( 199) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0023364 k( 200) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0023364 k( 201) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0023364 k( 202) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0023364 k( 203) = ( 0.0000000 0.0000000 0.0795455), wk = 0.0023364 k( 204) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0023364 k( 205) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0023364 k( 206) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0023364 k( 207) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0023364 k( 208) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0023364 k( 209) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0023364 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 212) = ( -0.0227273 0.0227273 0.0000000), wk = 0.0023364 k( 213) = ( -0.0454546 0.0454546 0.0000000), wk = 0.0023364 k( 214) = ( -0.0681818 0.0681818 -0.0000000), wk = 0.0023364 k( 215) = ( -0.0909091 0.0909091 0.0000000), wk = 0.0023364 k( 216) = ( -0.1136364 0.1136364 0.0000000), wk = 0.0023364 k( 217) = ( -0.1363636 0.1363636 -0.0000000), wk = 0.0023364 k( 218) = ( -0.1590909 0.1590909 0.0000000), wk = 0.0023364 k( 219) = ( -0.1818182 0.1818182 0.0000000), wk = 0.0023364 k( 220) = ( -0.2045454 0.2045454 -0.0000000), wk = 0.0023364 k( 221) = ( -0.2272727 0.2272727 0.0000000), wk = 0.0023364 k( 222) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0023364 k( 223) = ( -0.2727273 0.2727273 0.0000000), wk = 0.0023364 k( 224) = ( -0.2954545 0.2954545 -0.0000000), wk = 0.0023364 k( 225) = ( -0.3181818 0.3181818 0.0000000), wk = 0.0023364 k( 226) = ( -0.3409091 0.3409091 0.0000000), wk = 0.0023364 k( 227) = ( -0.3636364 0.3636364 0.0000000), wk = 0.0023364 k( 228) = ( -0.3863636 0.3863636 0.0000000), wk = 0.0023364 k( 229) = ( -0.4090909 0.4090909 -0.0000000), wk = 0.0023364 k( 230) = ( -0.4318182 0.4318182 0.0000000), wk = 0.0023364 k( 231) = ( -0.4545455 0.4545455 0.0000000), wk = 0.0023364 k( 232) = ( -0.4772727 0.4772727 0.0000000), wk = 0.0023364 k( 233) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 234) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 235) = ( -0.4941491 0.5058509 -0.0000000), wk = 0.0023364 k( 236) = ( -0.4882983 0.5117017 0.0000000), wk = 0.0023364 k( 237) = ( -0.4824475 0.5175525 -0.0000000), wk = 0.0023364 k( 238) = ( -0.4765966 0.5234034 0.0000000), wk = 0.0023364 k( 239) = ( -0.4707458 0.5292542 0.0000000), wk = 0.0023364 k( 240) = ( -0.4648949 0.5351051 0.0000000), wk = 0.0023364 k( 241) = ( -0.4590441 0.5409559 0.0000000), wk = 0.0023364 k( 242) = ( -0.4531932 0.5468068 0.0000000), wk = 0.0023364 k( 243) = ( -0.4473424 0.5526576 -0.0000000), wk = 0.0023364 k( 244) = ( -0.4414916 0.5585085 0.0000000), wk = 0.0023364 k( 245) = ( -0.4356407 0.5643593 -0.0000000), wk = 0.0023364 k( 246) = ( -0.4297899 0.5702101 0.0000000), wk = 0.0023364 k( 247) = ( -0.4239390 0.5760610 0.0000000), wk = 0.0023364 k( 248) = ( -0.4180882 0.5819118 0.0000000), wk = 0.0023364 k( 249) = ( -0.4122373 0.5877627 0.0000000), wk = 0.0023364 k( 250) = ( -0.4063865 0.5936135 -0.0000000), wk = 0.0023364 k( 251) = ( -0.4005356 0.5994644 0.0000000), wk = 0.0023364 k( 252) = ( -0.3946848 0.6053152 0.0000000), wk = 0.0023364 k( 253) = ( -0.3888339 0.6111661 0.0000000), wk = 0.0023364 k( 254) = ( -0.3829831 0.6170169 0.0000000), wk = 0.0023364 k( 255) = ( -0.3771323 0.6228678 0.0000000), wk = 0.0023364 k( 256) = ( -0.3712814 0.6287186 0.0000000), wk = 0.0023364 k( 257) = ( -0.3654306 0.6345694 -0.0000000), wk = 0.0023364 k( 258) = ( -0.3595797 0.6404203 0.0000000), wk = 0.0023364 k( 259) = ( -0.3537289 0.6462711 0.0000000), wk = 0.0023364 k( 260) = ( -0.3478780 0.6521220 0.0000000), wk = 0.0023364 k( 261) = ( -0.3420272 0.6579728 0.0000000), wk = 0.0023364 k( 262) = ( -0.3361763 0.6638237 0.0000000), wk = 0.0023364 k( 263) = ( -0.3303255 0.6696745 0.0000000), wk = 0.0023364 k( 264) = ( -0.3244746 0.6755254 -0.0000000), wk = 0.0023364 k( 265) = ( -0.3186238 0.6813762 0.0000000), wk = 0.0023364 k( 266) = ( -0.3127729 0.6872270 0.0000000), wk = 0.0023364 k( 267) = ( -0.3069221 0.6930779 0.0000000), wk = 0.0023364 k( 268) = ( -0.3010713 0.6989287 0.0000000), wk = 0.0023364 k( 269) = ( -0.2952204 0.7047796 0.0000000), wk = 0.0023364 k( 270) = ( -0.2893696 0.7106304 0.0000000), wk = 0.0023364 k( 271) = ( -0.2835187 0.7164813 -0.0000000), wk = 0.0023364 k( 272) = ( -0.2776679 0.7223321 0.0000000), wk = 0.0023364 k( 273) = ( -0.2718170 0.7281830 0.0000000), wk = 0.0023364 k( 274) = ( -0.2659662 0.7340338 0.0000000), wk = 0.0023364 k( 275) = ( -0.2659662 0.7340338 0.0000000), wk = 0.0023364 k( 276) = ( -0.2659662 0.7340338 0.0113636), wk = 0.0023364 k( 277) = ( -0.2659662 0.7340338 0.0227273), wk = 0.0023364 k( 278) = ( -0.2659662 0.7340338 0.0340909), wk = 0.0023364 k( 279) = ( -0.2659662 0.7340338 0.0454545), wk = 0.0023364 k( 280) = ( -0.2659662 0.7340338 0.0568182), wk = 0.0023364 k( 281) = ( -0.2659662 0.7340338 0.0681818), wk = 0.0023364 k( 282) = ( -0.2659662 0.7340338 0.0795455), wk = 0.0023364 k( 283) = ( -0.2659662 0.7340338 0.0909091), wk = 0.0023364 k( 284) = ( -0.2659662 0.7340338 0.1022727), wk = 0.0023364 k( 285) = ( -0.2659662 0.7340338 0.1136364), wk = 0.0023364 k( 286) = ( -0.2659662 0.7340338 0.1250000), wk = 0.0023364 k( 287) = ( -0.2659662 0.7340338 0.1363636), wk = 0.0023364 k( 288) = ( -0.2659662 0.7340338 0.1477273), wk = 0.0023364 k( 289) = ( -0.2659662 0.7340338 0.1590909), wk = 0.0023364 k( 290) = ( -0.2659662 0.7340338 0.1704546), wk = 0.0023364 k( 291) = ( -0.2659662 0.7340338 0.1818182), wk = 0.0023364 k( 292) = ( -0.2659662 0.7340338 0.1931818), wk = 0.0023364 k( 293) = ( -0.2659662 0.7340338 0.2045454), wk = 0.0023364 k( 294) = ( -0.2659662 0.7340338 0.2159091), wk = 0.0023364 k( 295) = ( -0.2659662 0.7340338 0.2272727), wk = 0.0023364 k( 296) = ( -0.2659662 0.7340338 0.2386364), wk = 0.0023364 k( 297) = ( -0.2659662 0.7340338 0.2500000), wk = 0.0023364 k( 298) = ( -0.2659662 0.7340338 0.2613636), wk = 0.0023364 k( 299) = ( -0.2659662 0.7340338 0.2727273), wk = 0.0023364 k( 300) = ( -0.2659662 0.7340338 0.2840909), wk = 0.0023364 k( 301) = ( -0.2659662 0.7340338 0.2954545), wk = 0.0023364 k( 302) = ( -0.2659662 0.7340338 0.3068182), wk = 0.0023364 k( 303) = ( -0.2659662 0.7340338 0.3181818), wk = 0.0023364 k( 304) = ( -0.2659662 0.7340338 0.3295454), wk = 0.0023364 k( 305) = ( -0.2659662 0.7340338 0.3409091), wk = 0.0023364 k( 306) = ( -0.2659662 0.7340338 0.3522727), wk = 0.0023364 k( 307) = ( -0.2659662 0.7340338 0.3636364), wk = 0.0023364 k( 308) = ( -0.2659662 0.7340338 0.3750000), wk = 0.0023364 k( 309) = ( -0.2659662 0.7340338 0.3863636), wk = 0.0023364 k( 310) = ( -0.2659662 0.7340338 0.3977273), wk = 0.0023364 k( 311) = ( -0.2659662 0.7340338 0.4090909), wk = 0.0023364 k( 312) = ( -0.2659662 0.7340338 0.4204545), wk = 0.0023364 k( 313) = ( -0.2659662 0.7340338 0.4318182), wk = 0.0023364 k( 314) = ( -0.2659662 0.7340338 0.4431818), wk = 0.0023364 k( 315) = ( -0.2659662 0.7340338 0.4545455), wk = 0.0023364 k( 316) = ( -0.2659662 0.7340338 0.4659091), wk = 0.0023364 k( 317) = ( -0.2659662 0.7340338 0.4772727), wk = 0.0023364 k( 318) = ( -0.2659662 0.7340338 0.4886364), wk = 0.0023364 k( 319) = ( -0.2659662 0.7340338 0.5000000), wk = 0.0023364 k( 320) = ( -0.2659662 0.7340338 0.5000000), wk = 0.0023364 k( 321) = ( -0.2718170 0.7281830 0.5000000), wk = 0.0023364 k( 322) = ( -0.2776679 0.7223321 0.5000000), wk = 0.0023364 k( 323) = ( -0.2835187 0.7164813 0.5000000), wk = 0.0023364 k( 324) = ( -0.2893696 0.7106304 0.5000000), wk = 0.0023364 k( 325) = ( -0.2952204 0.7047796 0.5000000), wk = 0.0023364 k( 326) = ( -0.3010713 0.6989287 0.5000000), wk = 0.0023364 k( 327) = ( -0.3069221 0.6930779 0.5000000), wk = 0.0023364 k( 328) = ( -0.3127729 0.6872270 0.5000000), wk = 0.0023364 k( 329) = ( -0.3186238 0.6813762 0.5000000), wk = 0.0023364 k( 330) = ( -0.3244746 0.6755254 0.5000000), wk = 0.0023364 k( 331) = ( -0.3303255 0.6696745 0.5000000), wk = 0.0023364 k( 332) = ( -0.3361763 0.6638237 0.5000000), wk = 0.0023364 k( 333) = ( -0.3420272 0.6579728 0.5000000), wk = 0.0023364 k( 334) = ( -0.3478780 0.6521220 0.5000000), wk = 0.0023364 k( 335) = ( -0.3537289 0.6462711 0.5000000), wk = 0.0023364 k( 336) = ( -0.3595797 0.6404203 0.5000000), wk = 0.0023364 k( 337) = ( -0.3654306 0.6345694 0.5000000), wk = 0.0023364 k( 338) = ( -0.3712814 0.6287186 0.5000000), wk = 0.0023364 k( 339) = ( -0.3771323 0.6228678 0.5000000), wk = 0.0023364 k( 340) = ( -0.3829831 0.6170169 0.5000000), wk = 0.0023364 k( 341) = ( -0.3888339 0.6111661 0.5000000), wk = 0.0023364 k( 342) = ( -0.3946848 0.6053152 0.5000000), wk = 0.0023364 k( 343) = ( -0.4005356 0.5994644 0.5000000), wk = 0.0023364 k( 344) = ( -0.4063865 0.5936135 0.5000000), wk = 0.0023364 k( 345) = ( -0.4122373 0.5877627 0.5000000), wk = 0.0023364 k( 346) = ( -0.4180882 0.5819118 0.5000000), wk = 0.0023364 k( 347) = ( -0.4239390 0.5760610 0.5000000), wk = 0.0023364 k( 348) = ( -0.4297899 0.5702101 0.5000000), wk = 0.0023364 k( 349) = ( -0.4356407 0.5643593 0.5000000), wk = 0.0023364 k( 350) = ( -0.4414916 0.5585085 0.5000000), wk = 0.0023364 k( 351) = ( -0.4473424 0.5526576 0.5000000), wk = 0.0023364 k( 352) = ( -0.4531932 0.5468068 0.5000000), wk = 0.0023364 k( 353) = ( -0.4590441 0.5409559 0.5000000), wk = 0.0023364 k( 354) = ( -0.4648949 0.5351051 0.5000000), wk = 0.0023364 k( 355) = ( -0.4707458 0.5292542 0.5000000), wk = 0.0023364 k( 356) = ( -0.4765966 0.5234034 0.5000000), wk = 0.0023364 k( 357) = ( -0.4824475 0.5175525 0.5000000), wk = 0.0023364 k( 358) = ( -0.4882983 0.5117017 0.5000000), wk = 0.0023364 k( 359) = ( -0.4941491 0.5058509 0.5000000), wk = 0.0023364 k( 360) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 361) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 362) = ( -0.5000000 0.5000000 0.4886364), wk = 0.0023364 k( 363) = ( -0.5000000 0.5000000 0.4772727), wk = 0.0023364 k( 364) = ( -0.5000000 0.5000000 0.4659091), wk = 0.0023364 k( 365) = ( -0.5000000 0.5000000 0.4545455), wk = 0.0023364 k( 366) = ( -0.5000000 0.5000000 0.4431818), wk = 0.0023364 k( 367) = ( -0.5000000 0.5000000 0.4318182), wk = 0.0023364 k( 368) = ( -0.5000000 0.5000000 0.4204545), wk = 0.0023364 k( 369) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0023364 k( 370) = ( -0.5000000 0.5000000 0.3977273), wk = 0.0023364 k( 371) = ( -0.5000000 0.5000000 0.3863636), wk = 0.0023364 k( 372) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0023364 k( 373) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0023364 k( 374) = ( -0.5000000 0.5000000 0.3522727), wk = 0.0023364 k( 375) = ( -0.5000000 0.5000000 0.3409091), wk = 0.0023364 k( 376) = ( -0.5000000 0.5000000 0.3295455), wk = 0.0023364 k( 377) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0023364 k( 378) = ( -0.5000000 0.5000000 0.3068182), wk = 0.0023364 k( 379) = ( -0.5000000 0.5000000 0.2954545), wk = 0.0023364 k( 380) = ( -0.5000000 0.5000000 0.2840909), wk = 0.0023364 k( 381) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0023364 k( 382) = ( -0.5000000 0.5000000 0.2613636), wk = 0.0023364 k( 383) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0023364 k( 384) = ( -0.5000000 0.5000000 0.2386364), wk = 0.0023364 k( 385) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0023364 k( 386) = ( -0.5000000 0.5000000 0.2159091), wk = 0.0023364 k( 387) = ( -0.5000000 0.5000000 0.2045454), wk = 0.0023364 k( 388) = ( -0.5000000 0.5000000 0.1931818), wk = 0.0023364 k( 389) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0023364 k( 390) = ( -0.5000000 0.5000000 0.1704546), wk = 0.0023364 k( 391) = ( -0.5000000 0.5000000 0.1590909), wk = 0.0023364 k( 392) = ( -0.5000000 0.5000000 0.1477273), wk = 0.0023364 k( 393) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0023364 k( 394) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0023364 k( 395) = ( -0.5000000 0.5000000 0.1136364), wk = 0.0023364 k( 396) = ( -0.5000000 0.5000000 0.1022727), wk = 0.0023364 k( 397) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0023364 k( 398) = ( -0.5000000 0.5000000 0.0795455), wk = 0.0023364 k( 399) = ( -0.5000000 0.5000000 0.0681818), wk = 0.0023364 k( 400) = ( -0.5000000 0.5000000 0.0568182), wk = 0.0023364 k( 401) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0023364 k( 402) = ( -0.5000000 0.5000000 0.0340909), wk = 0.0023364 k( 403) = ( -0.5000000 0.5000000 0.0227273), wk = 0.0023364 k( 404) = ( -0.5000000 0.5000000 0.0113636), wk = 0.0023364 k( 405) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 406) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 407) = ( -0.0227273 0.0227273 0.5000000), wk = 0.0023364 k( 408) = ( -0.0454546 0.0454546 0.5000000), wk = 0.0023364 k( 409) = ( -0.0681818 0.0681818 0.5000000), wk = 0.0023364 k( 410) = ( -0.0909091 0.0909091 0.5000000), wk = 0.0023364 k( 411) = ( -0.1136364 0.1136364 0.5000000), wk = 0.0023364 k( 412) = ( -0.1363636 0.1363636 0.5000000), wk = 0.0023364 k( 413) = ( -0.1590909 0.1590909 0.5000000), wk = 0.0023364 k( 414) = ( -0.1818182 0.1818182 0.5000000), wk = 0.0023364 k( 415) = ( -0.2045454 0.2045454 0.5000000), wk = 0.0023364 k( 416) = ( -0.2272727 0.2272727 0.5000000), wk = 0.0023364 k( 417) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0023364 k( 418) = ( -0.2727273 0.2727273 0.5000000), wk = 0.0023364 k( 419) = ( -0.2954545 0.2954545 0.5000000), wk = 0.0023364 k( 420) = ( -0.3181818 0.3181818 0.5000000), wk = 0.0023364 k( 421) = ( -0.3409091 0.3409091 0.5000000), wk = 0.0023364 k( 422) = ( -0.3636364 0.3636364 0.5000000), wk = 0.0023364 k( 423) = ( -0.3863636 0.3863636 0.5000000), wk = 0.0023364 k( 424) = ( -0.4090909 0.4090909 0.5000000), wk = 0.0023364 k( 425) = ( -0.4318182 0.4318182 0.5000000), wk = 0.0023364 k( 426) = ( -0.4545455 0.4545455 0.5000000), wk = 0.0023364 k( 427) = ( -0.4772727 0.4772727 0.5000000), wk = 0.0023364 k( 428) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023364 Dense grid: 48235 G-vectors FFT dimensions: ( 75, 75, 36) Smooth grid: 29621 G-vectors FFT dimensions: ( 64, 64, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 168, 48) NL pseudopotentials 0.16 Mb ( 84, 124) Each V/rho on FFT grid 0.09 Mb ( 5625) Each G-vector array 0.01 Mb ( 1006) G-vector shells 0.00 Mb ( 524) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 168, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.18 Mb ( 124, 2, 48) The potential is recalculated from file : ./HfSi2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.9 secs Computing kpt #: 2 total cpu time spent up to now is 45.1 secs Computing kpt #: 3 total cpu time spent up to now is 47.2 secs Computing kpt #: 4 total cpu time spent up to now is 49.8 secs Computing kpt #: 5 total cpu time spent up to now is 52.0 secs Computing kpt #: 6 total cpu time spent up to now is 54.0 secs Computing kpt #: 7 total cpu time spent up to now is 55.9 secs Computing kpt #: 8 total cpu time spent up to now is 57.8 secs Computing kpt #: 9 total cpu time spent up to now is 60.2 secs Computing kpt #: 10 total cpu time spent up to now is 62.8 secs Computing kpt #: 11 total cpu time spent up to now is 64.8 secs Computing kpt #: 12 total cpu time spent up to now is 66.9 secs Computing kpt #: 13 total cpu time spent up to now is 68.8 secs Computing kpt #: 14 total cpu time spent up to now is 71.3 secs Computing kpt #: 15 total cpu time spent up to now is 74.0 secs Computing kpt #: 16 total cpu time spent up to now is 76.2 secs Computing kpt #: 17 total cpu time spent up to now is 78.1 secs Computing kpt #: 18 total cpu time spent up to now is 80.1 secs Computing kpt #: 19 total cpu time spent up to now is 82.1 secs Computing kpt #: 20 total cpu time spent up to now is 84.4 secs Computing kpt #: 21 total cpu time spent up to now is 87.2 secs Computing kpt #: 22 total cpu time spent up to now is 89.3 secs Computing kpt #: 23 total cpu time spent up to now is 91.2 secs Computing kpt #: 24 total cpu time spent up to now is 93.0 secs Computing kpt #: 25 total cpu time spent up to now is 95.0 secs Computing kpt #: 26 total cpu time spent up to now is 97.4 secs Computing kpt #: 27 total cpu time spent up to now is 99.6 secs Computing kpt #: 28 total cpu time spent up to now is 101.4 secs Computing kpt #: 29 total cpu time spent up to now is 103.4 secs Computing kpt #: 30 total cpu time spent up to now is 105.4 secs Computing kpt #: 31 total cpu time spent up to now is 107.3 secs Computing kpt #: 32 total cpu time spent up to now is 110.8 secs Computing kpt #: 33 total cpu time spent up to now is 113.6 secs Computing kpt #: 34 total cpu time spent up to now is 116.5 secs Computing kpt #: 35 total cpu time spent up to now is 119.2 secs Computing kpt #: 36 total cpu time spent up to now is 121.6 secs Computing kpt #: 37 total cpu time spent up to now is 123.2 secs Computing kpt #: 38 total cpu time spent up to now is 124.8 secs Computing kpt #: 39 total cpu time spent up to now is 126.4 secs Computing kpt #: 40 total cpu time spent up to now is 128.2 secs Computing kpt #: 41 total cpu time spent up to now is 130.0 secs Computing kpt #: 42 total cpu time spent up to now is 131.8 secs Computing kpt #: 43 total cpu time spent up to now is 134.0 secs Computing kpt #: 44 total cpu time spent up to now is 135.9 secs Computing kpt #: 45 total cpu time spent up to now is 137.9 secs Computing kpt #: 46 total cpu time spent up to now is 139.6 secs Computing kpt #: 47 total cpu time spent up to now is 141.4 secs Computing kpt #: 48 total cpu time spent up to now is 143.1 secs Computing kpt #: 49 total cpu time spent up to now is 144.9 secs Computing kpt #: 50 total cpu time spent up to now is 147.1 secs Computing kpt #: 51 total cpu time spent up to now is 150.1 secs Computing kpt #: 52 total cpu time spent up to now is 151.9 secs Computing kpt #: 53 total cpu time spent up to now is 153.8 secs Computing kpt #: 54 total cpu time spent up to now is 155.9 secs Computing kpt #: 55 total cpu time spent up to now is 157.9 secs Computing kpt #: 56 total cpu time spent up to now is 161.0 secs Computing kpt #: 57 total cpu time spent up to now is 163.2 secs Computing kpt #: 58 total cpu time spent up to now is 165.5 secs Computing kpt #: 59 total cpu time spent up to now is 168.1 secs Computing kpt #: 60 total cpu time spent up to now is 170.6 secs Computing kpt #: 61 total cpu time spent up to now is 173.6 secs Computing kpt #: 62 total cpu time spent up to now is 176.1 secs Computing kpt #: 63 total cpu time spent up to now is 179.3 secs Computing kpt #: 64 total cpu time spent up to now is 181.4 secs Computing kpt #: 65 total cpu time spent up to now is 183.4 secs Computing kpt #: 66 total cpu time spent up to now is 185.6 secs Computing kpt #: 67 total cpu time spent up to now is 187.6 secs Computing kpt #: 68 total cpu time spent up to now is 189.5 secs Computing kpt #: 69 total cpu time spent up to now is 191.3 secs Computing kpt #: 70 total cpu time spent up to now is 193.3 secs Computing kpt #: 71 total cpu time spent up to now is 195.6 secs Computing kpt #: 72 total cpu time spent up to now is 197.7 secs Computing kpt #: 73 total cpu time spent up to now is 199.7 secs Computing kpt #: 74 total cpu time spent up to now is 201.9 secs Computing kpt #: 75 total cpu time spent up to now is 204.1 secs Computing kpt #: 76 total cpu time spent up to now is 206.3 secs Computing kpt #: 77 total cpu time spent up to now is 208.8 secs Computing kpt #: 78 total cpu time spent up to now is 211.8 secs Computing kpt #: 79 total cpu time spent up to now is 214.0 secs Computing kpt #: 80 total cpu time spent up to now is 216.4 secs Computing kpt #: 81 total cpu time spent up to now is 218.9 secs Computing kpt #: 82 total cpu time spent up to now is 221.1 secs Computing kpt #: 83 total cpu time spent up to now is 223.7 secs Computing kpt #: 84 total cpu time spent up to now is 225.8 secs Computing kpt #: 85 total cpu time spent up to now is 228.0 secs Computing kpt #: 86 total cpu time spent up to now is 230.0 secs Computing kpt #: 87 total cpu time spent up to now is 231.9 secs Computing kpt #: 88 total cpu time spent up to now is 233.9 secs Computing kpt #: 89 total cpu time spent up to now is 235.9 secs Computing kpt #: 90 total cpu time spent up to now is 237.8 secs Computing kpt #: 91 total cpu time spent up to now is 240.0 secs Computing kpt #: 92 total cpu time spent up to now is 242.3 secs Computing kpt #: 93 total cpu time spent up to now is 244.2 secs Computing kpt #: 94 total cpu time spent up to now is 246.6 secs Computing kpt #: 95 total cpu time spent up to now is 248.5 secs Computing kpt #: 96 total cpu time spent up to now is 250.4 secs Computing kpt #: 97 total cpu time spent up to now is 252.5 secs Computing kpt #: 98 total cpu time spent up to now is 254.7 secs Computing kpt #: 99 total cpu time spent up to now is 256.7 secs Computing kpt #: 100 total cpu time spent up to now is 259.3 secs Computing kpt #: 101 total cpu time spent up to now is 261.5 secs Computing kpt #: 102 total cpu time spent up to now is 263.7 secs Computing kpt #: 103 total cpu time spent up to now is 266.0 secs Computing kpt #: 104 total cpu time spent up to now is 267.9 secs Computing kpt #: 105 total cpu time spent up to now is 269.7 secs Computing kpt #: 106 total cpu time spent up to now is 271.8 secs Computing kpt #: 107 total cpu time spent up to now is 273.7 secs Computing kpt #: 108 total cpu time spent up to now is 275.7 secs Computing kpt #: 109 total cpu time spent up to now is 277.6 secs Computing kpt #: 110 total cpu time spent up to now is 279.5 secs Computing kpt #: 111 total cpu time spent up to now is 281.8 secs Computing kpt #: 112 total cpu time spent up to now is 284.0 secs Computing kpt #: 113 total cpu time spent up to now is 286.0 secs Computing kpt #: 114 total cpu time spent up to now is 288.0 secs Computing kpt #: 115 total cpu time spent up to now is 289.9 secs Computing kpt #: 116 total cpu time spent up to now is 291.9 secs Computing kpt #: 117 total cpu time spent up to now is 294.3 secs Computing kpt #: 118 total cpu time spent up to now is 296.5 secs Computing kpt #: 119 total cpu time spent up to now is 298.4 secs Computing kpt #: 120 total cpu time spent up to now is 300.2 secs Computing kpt #: 121 total cpu time spent up to now is 301.9 secs Computing kpt #: 122 total cpu time spent up to now is 303.8 secs Computing kpt #: 123 total cpu time spent up to now is 305.5 secs Computing kpt #: 124 total cpu time spent up to now is 307.3 secs Computing kpt #: 125 total cpu time spent up to now is 309.6 secs Computing kpt #: 126 total cpu time spent up to now is 311.7 secs Computing kpt #: 127 total cpu time spent up to now is 313.7 secs Computing kpt #: 128 total cpu time spent up to now is 315.8 secs Computing kpt #: 129 total cpu time spent up to now is 317.9 secs Computing kpt #: 130 total cpu time spent up to now is 319.9 secs Computing kpt #: 131 total cpu time spent up to now is 322.0 secs Computing kpt #: 132 total cpu time spent up to now is 324.1 secs Computing kpt #: 133 total cpu time spent up to now is 326.3 secs Computing kpt #: 134 total cpu time spent up to now is 328.4 secs Computing kpt #: 135 total cpu time spent up to now is 330.4 secs Computing kpt #: 136 total cpu time spent up to now is 332.6 secs Computing kpt #: 137 total cpu time spent up to now is 335.3 secs Computing kpt #: 138 total cpu time spent up to now is 337.4 secs Computing kpt #: 139 total cpu time spent up to now is 339.4 secs Computing kpt #: 140 total cpu time spent up to now is 341.5 secs Computing kpt #: 141 total cpu time spent up to now is 343.5 secs Computing kpt #: 142 total cpu time spent up to now is 345.7 secs Computing kpt #: 143 total cpu time spent up to now is 347.8 secs Computing kpt #: 144 total cpu time spent up to now is 349.8 secs Computing kpt #: 145 total cpu time spent up to now is 352.0 secs Computing kpt #: 146 total cpu time spent up to now is 354.1 secs Computing kpt #: 147 total cpu time spent up to now is 356.4 secs Computing kpt #: 148 total cpu time spent up to now is 358.4 secs Computing kpt #: 149 total cpu time spent up to now is 360.5 secs Computing kpt #: 150 total cpu time spent up to now is 362.5 secs Computing kpt #: 151 total cpu time spent up to now is 364.5 secs Computing kpt #: 152 total cpu time spent up to now is 366.3 secs Computing kpt #: 153 total cpu time spent up to now is 368.1 secs Computing kpt #: 154 total cpu time spent up to now is 370.0 secs Computing kpt #: 155 total cpu time spent up to now is 371.8 secs Computing kpt #: 156 total cpu time spent up to now is 373.9 secs Computing kpt #: 157 total cpu time spent up to now is 375.6 secs Computing kpt #: 158 total cpu time spent up to now is 377.2 secs Computing kpt #: 159 total cpu time spent up to now is 378.9 secs Computing kpt #: 160 total cpu time spent up to now is 380.6 secs Computing kpt #: 161 total cpu time spent up to now is 382.4 secs Computing kpt #: 162 total cpu time spent up to now is 384.3 secs Computing kpt #: 163 total cpu time spent up to now is 386.1 secs Computing kpt #: 164 total cpu time spent up to now is 387.9 secs Computing kpt #: 165 total cpu time spent up to now is 389.6 secs Computing kpt #: 166 total cpu time spent up to now is 391.5 secs Computing kpt #: 167 total cpu time spent up to now is 393.7 secs Computing kpt #: 168 total cpu time spent up to now is 395.7 secs Computing kpt #: 169 total cpu time spent up to now is 397.5 secs Computing kpt #: 170 total cpu time spent up to now is 399.2 secs Computing kpt #: 171 total cpu time spent up to now is 401.3 secs Computing kpt #: 172 total cpu time spent up to now is 403.0 secs Computing kpt #: 173 total cpu time spent up to now is 404.7 secs Computing kpt #: 174 total cpu time spent up to now is 406.4 secs Computing kpt #: 175 total cpu time spent up to now is 408.2 secs Computing kpt #: 176 total cpu time spent up to now is 410.1 secs Computing kpt #: 177 total cpu time spent up to now is 412.0 secs Computing kpt #: 178 total cpu time spent up to now is 414.0 secs Computing kpt #: 179 total cpu time spent up to now is 415.8 secs Computing kpt #: 180 total cpu time spent up to now is 417.9 secs Computing kpt #: 181 total cpu time spent up to now is 419.9 secs Computing kpt #: 182 total cpu time spent up to now is 422.1 secs Computing kpt #: 183 total cpu time spent up to now is 424.1 secs Computing kpt #: 184 total cpu time spent up to now is 426.2 secs Computing kpt #: 185 total cpu time spent up to now is 428.1 secs Computing kpt #: 186 total cpu time spent up to now is 429.6 secs Computing kpt #: 187 total cpu time spent up to now is 431.2 secs Computing kpt #: 188 total cpu time spent up to now is 432.8 secs Computing kpt #: 189 total cpu time spent up to now is 434.4 secs Computing kpt #: 190 total cpu time spent up to now is 435.9 secs Computing kpt #: 191 total cpu time spent up to now is 437.6 secs Computing kpt #: 192 total cpu time spent up to now is 439.1 secs Computing kpt #: 193 total cpu time spent up to now is 440.7 secs Computing kpt #: 194 total cpu time spent up to now is 442.3 secs Computing kpt #: 195 total cpu time spent up to now is 443.9 secs Computing kpt #: 196 total cpu time spent up to now is 445.6 secs Computing kpt #: 197 total cpu time spent up to now is 447.2 secs Computing kpt #: 198 total cpu time spent up to now is 449.1 secs Computing kpt #: 199 total cpu time spent up to now is 451.0 secs Computing kpt #: 200 total cpu time spent up to now is 453.1 secs Computing kpt #: 201 total cpu time spent up to now is 455.1 secs Computing kpt #: 202 total cpu time spent up to now is 457.1 secs Computing kpt #: 203 total cpu time spent up to now is 458.9 secs Computing kpt #: 204 total cpu time spent up to now is 461.4 secs Computing kpt #: 205 total cpu time spent up to now is 463.2 secs Computing kpt #: 206 total cpu time spent up to now is 464.9 secs Computing kpt #: 207 total cpu time spent up to now is 466.6 secs Computing kpt #: 208 total cpu time spent up to now is 468.4 secs Computing kpt #: 209 total cpu time spent up to now is 470.3 secs Computing kpt #: 210 total cpu time spent up to now is 472.2 secs Computing kpt #: 211 total cpu time spent up to now is 474.1 secs Computing kpt #: 212 total cpu time spent up to now is 476.0 secs Computing kpt #: 213 total cpu time spent up to now is 478.7 secs Computing kpt #: 214 total cpu time spent up to now is 480.7 secs Computing kpt #: 215 total cpu time spent up to now is 482.7 secs Computing kpt #: 216 total cpu time spent up to now is 484.6 secs Computing kpt #: 217 total cpu time spent up to now is 486.5 secs Computing kpt #: 218 total cpu time spent up to now is 488.6 secs Computing kpt #: 219 total cpu time spent up to now is 490.5 secs Computing kpt #: 220 total cpu time spent up to now is 492.3 secs Computing kpt #: 221 total cpu time spent up to now is 494.1 secs Computing kpt #: 222 total cpu time spent up to now is 496.0 secs Computing kpt #: 223 total cpu time spent up to now is 498.9 secs Computing kpt #: 224 total cpu time spent up to now is 501.1 secs Computing kpt #: 225 total cpu time spent up to now is 503.3 secs Computing kpt #: 226 total cpu time spent up to now is 505.4 secs Computing kpt #: 227 total cpu time spent up to now is 507.5 secs Computing kpt #: 228 total cpu time spent up to now is 509.8 secs Computing kpt #: 229 total cpu time spent up to now is 511.9 secs Computing kpt #: 230 total cpu time spent up to now is 513.9 secs Computing kpt #: 231 total cpu time spent up to now is 516.0 secs Computing kpt #: 232 total cpu time spent up to now is 518.6 secs Computing kpt #: 233 total cpu time spent up to now is 520.8 secs Computing kpt #: 234 total cpu time spent up to now is 523.0 secs Computing kpt #: 235 total cpu time spent up to now is 525.0 secs Computing kpt #: 236 total cpu time spent up to now is 526.9 secs Computing kpt #: 237 total cpu time spent up to now is 528.8 secs Computing kpt #: 238 total cpu time spent up to now is 530.8 secs Computing kpt #: 239 total cpu time spent up to now is 533.1 secs Computing kpt #: 240 total cpu time spent up to now is 535.2 secs Computing kpt #: 241 total cpu time spent up to now is 536.9 secs Computing kpt #: 242 total cpu time spent up to now is 538.4 secs Computing kpt #: 243 total cpu time spent up to now is 539.9 secs Computing kpt #: 244 total cpu time spent up to now is 541.4 secs Computing kpt #: 245 total cpu time spent up to now is 542.9 secs Computing kpt #: 246 total cpu time spent up to now is 544.2 secs Computing kpt #: 247 total cpu time spent up to now is 546.4 secs Computing kpt #: 248 total cpu time spent up to now is 547.9 secs Computing kpt #: 249 total cpu time spent up to now is 549.3 secs Computing kpt #: 250 total cpu time spent up to now is 550.7 secs Computing kpt #: 251 total cpu time spent up to now is 552.2 secs Computing kpt #: 252 total cpu time spent up to now is 553.6 secs Computing kpt #: 253 total cpu time spent up to now is 555.3 secs Computing kpt #: 254 total cpu time spent up to now is 557.3 secs Computing kpt #: 255 total cpu time spent up to now is 560.7 secs Computing kpt #: 256 total cpu time spent up to now is 562.6 secs Computing kpt #: 257 total cpu time spent up to now is 564.3 secs Computing kpt #: 258 total cpu time spent up to now is 565.8 secs Computing kpt #: 259 total cpu time spent up to now is 567.5 secs Computing kpt #: 260 total cpu time spent up to now is 569.3 secs Computing kpt #: 261 total cpu time spent up to now is 571.7 secs Computing kpt #: 262 total cpu time spent up to now is 573.8 secs Computing kpt #: 263 total cpu time spent up to now is 576.0 secs Computing kpt #: 264 total cpu time spent up to now is 579.5 secs Computing kpt #: 265 total cpu time spent up to now is 581.3 secs Computing kpt #: 266 total cpu time spent up to now is 584.3 secs Computing kpt #: 267 total cpu time spent up to now is 586.5 secs Computing kpt #: 268 total cpu time spent up to now is 588.2 secs Computing kpt #: 269 total cpu time spent up to now is 589.8 secs Computing kpt #: 270 total cpu time spent up to now is 591.5 secs Computing kpt #: 271 total cpu time spent up to now is 593.1 secs Computing kpt #: 272 total cpu time spent up to now is 594.7 secs Computing kpt #: 273 total cpu time spent up to now is 596.3 secs Computing kpt #: 274 total cpu time spent up to now is 597.9 secs Computing kpt #: 275 total cpu time spent up to now is 599.5 secs Computing kpt #: 276 total cpu time spent up to now is 601.2 secs Computing kpt #: 277 total cpu time spent up to now is 602.9 secs Computing kpt #: 278 total cpu time spent up to now is 605.4 secs Computing kpt #: 279 total cpu time spent up to now is 607.2 secs Computing kpt #: 280 total cpu time spent up to now is 609.0 secs Computing kpt #: 281 total cpu time spent up to now is 610.8 secs Computing kpt #: 282 total cpu time spent up to now is 612.4 secs Computing kpt #: 283 total cpu time spent up to now is 614.1 secs Computing kpt #: 284 total cpu time spent up to now is 615.9 secs Computing kpt #: 285 total cpu time spent up to now is 618.2 secs Computing kpt #: 286 total cpu time spent up to now is 621.1 secs Computing kpt #: 287 total cpu time spent up to now is 622.9 secs Computing kpt #: 288 total cpu time spent up to now is 624.5 secs Computing kpt #: 289 total cpu time spent up to now is 626.1 secs Computing kpt #: 290 total cpu time spent up to now is 627.8 secs Computing kpt #: 291 total cpu time spent up to now is 629.5 secs Computing kpt #: 292 total cpu time spent up to now is 631.2 secs Computing kpt #: 293 total cpu time spent up to now is 634.1 secs Computing kpt #: 294 total cpu time spent up to now is 635.6 secs Computing kpt #: 295 total cpu time spent up to now is 637.1 secs Computing kpt #: 296 total cpu time spent up to now is 638.7 secs Computing kpt #: 297 total cpu time spent up to now is 640.3 secs Computing kpt #: 298 total cpu time spent up to now is 642.0 secs Computing kpt #: 299 total cpu time spent up to now is 643.8 secs Computing kpt #: 300 total cpu time spent up to now is 646.4 secs Computing kpt #: 301 total cpu time spent up to now is 648.3 secs Computing kpt #: 302 total cpu time spent up to now is 650.0 secs Computing kpt #: 303 total cpu time spent up to now is 651.8 secs Computing kpt #: 304 total cpu time spent up to now is 653.5 secs Computing kpt #: 305 total cpu time spent up to now is 655.3 secs Computing kpt #: 306 total cpu time spent up to now is 657.1 secs Computing kpt #: 307 total cpu time spent up to now is 659.4 secs Computing kpt #: 308 total cpu time spent up to now is 662.0 secs Computing kpt #: 309 total cpu time spent up to now is 663.9 secs Computing kpt #: 310 total cpu time spent up to now is 665.7 secs Computing kpt #: 311 total cpu time spent up to now is 667.6 secs Computing kpt #: 312 total cpu time spent up to now is 669.5 secs Computing kpt #: 313 total cpu time spent up to now is 671.4 secs Computing kpt #: 314 total cpu time spent up to now is 673.4 secs Computing kpt #: 315 total cpu time spent up to now is 676.2 secs Computing kpt #: 316 total cpu time spent up to now is 678.5 secs Computing kpt #: 317 total cpu time spent up to now is 680.6 secs Computing kpt #: 318 total cpu time spent up to now is 682.6 secs Computing kpt #: 319 total cpu time spent up to now is 684.7 secs Computing kpt #: 320 total cpu time spent up to now is 686.5 secs Computing kpt #: 321 total cpu time spent up to now is 689.7 secs Computing kpt #: 322 total cpu time spent up to now is 692.6 secs Computing kpt #: 323 total cpu time spent up to now is 694.8 secs Computing kpt #: 324 total cpu time spent up to now is 696.8 secs Computing kpt #: 325 total cpu time spent up to now is 699.2 secs Computing kpt #: 326 total cpu time spent up to now is 701.4 secs Computing kpt #: 327 total cpu time spent up to now is 703.7 secs Computing kpt #: 328 total cpu time spent up to now is 706.3 secs Computing kpt #: 329 total cpu time spent up to now is 708.7 secs Computing kpt #: 330 total cpu time spent up to now is 710.7 secs Computing kpt #: 331 total cpu time spent up to now is 712.7 secs Computing kpt #: 332 total cpu time spent up to now is 714.6 secs Computing kpt #: 333 total cpu time spent up to now is 716.4 secs Computing kpt #: 334 total cpu time spent up to now is 718.2 secs Computing kpt #: 335 total cpu time spent up to now is 719.9 secs Computing kpt #: 336 total cpu time spent up to now is 721.5 secs Computing kpt #: 337 total cpu time spent up to now is 723.6 secs Computing kpt #: 338 total cpu time spent up to now is 725.2 secs Computing kpt #: 339 total cpu time spent up to now is 726.8 secs Computing kpt #: 340 total cpu time spent up to now is 728.4 secs Computing kpt #: 341 total cpu time spent up to now is 730.1 secs Computing kpt #: 342 total cpu time spent up to now is 731.8 secs Computing kpt #: 343 total cpu time spent up to now is 733.7 secs Computing kpt #: 344 total cpu time spent up to now is 735.4 secs Computing kpt #: 345 total cpu time spent up to now is 737.4 secs Computing kpt #: 346 total cpu time spent up to now is 739.4 secs Computing kpt #: 347 total cpu time spent up to now is 741.5 secs Computing kpt #: 348 total cpu time spent up to now is 743.3 secs Computing kpt #: 349 total cpu time spent up to now is 745.2 secs Computing kpt #: 350 total cpu time spent up to now is 747.2 secs Computing kpt #: 351 total cpu time spent up to now is 749.4 secs Computing kpt #: 352 total cpu time spent up to now is 751.6 secs Computing kpt #: 353 total cpu time spent up to now is 753.6 secs Computing kpt #: 354 total cpu time spent up to now is 755.7 secs Computing kpt #: 355 total cpu time spent up to now is 758.6 secs Computing kpt #: 356 total cpu time spent up to now is 760.7 secs Computing kpt #: 357 total cpu time spent up to now is 762.9 secs Computing kpt #: 358 total cpu time spent up to now is 764.8 secs Computing kpt #: 359 total cpu time spent up to now is 766.6 secs Computing kpt #: 360 total cpu time spent up to now is 768.5 secs Computing kpt #: 361 total cpu time spent up to now is 770.3 secs Computing kpt #: 362 total cpu time spent up to now is 772.2 secs Computing kpt #: 363 total cpu time spent up to now is 774.2 secs Computing kpt #: 364 total cpu time spent up to now is 776.0 secs Computing kpt #: 365 total cpu time spent up to now is 777.9 secs Computing kpt #: 366 total cpu time spent up to now is 779.9 secs Computing kpt #: 367 total cpu time spent up to now is 782.0 secs Computing kpt #: 368 total cpu time spent up to now is 784.4 secs Computing kpt #: 369 total cpu time spent up to now is 786.4 secs Computing kpt #: 370 total cpu time spent up to now is 788.3 secs Computing kpt #: 371 total cpu time spent up to now is 790.0 secs Computing kpt #: 372 total cpu time spent up to now is 791.7 secs Computing kpt #: 373 total cpu time spent up to now is 793.2 secs Computing kpt #: 374 total cpu time spent up to now is 794.8 secs Computing kpt #: 375 total cpu time spent up to now is 796.5 secs Computing kpt #: 376 total cpu time spent up to now is 798.1 secs Computing kpt #: 377 total cpu time spent up to now is 799.4 secs Computing kpt #: 378 total cpu time spent up to now is 800.9 secs Computing kpt #: 379 total cpu time spent up to now is 802.4 secs Computing kpt #: 380 total cpu time spent up to now is 804.1 secs Computing kpt #: 381 total cpu time spent up to now is 806.2 secs Computing kpt #: 382 total cpu time spent up to now is 809.2 secs Computing kpt #: 383 total cpu time spent up to now is 811.7 secs Computing kpt #: 384 total cpu time spent up to now is 813.6 secs Computing kpt #: 385 total cpu time spent up to now is 815.3 secs Computing kpt #: 386 total cpu time spent up to now is 816.9 secs Computing kpt #: 387 total cpu time spent up to now is 818.5 secs Computing kpt #: 388 total cpu time spent up to now is 820.1 secs Computing kpt #: 389 total cpu time spent up to now is 821.7 secs Computing kpt #: 390 total cpu time spent up to now is 823.7 secs Computing kpt #: 391 total cpu time spent up to now is 825.5 secs Computing kpt #: 392 total cpu time spent up to now is 827.3 secs Computing kpt #: 393 total cpu time spent up to now is 828.9 secs Computing kpt #: 394 total cpu time spent up to now is 830.6 secs Computing kpt #: 395 total cpu time spent up to now is 832.3 secs Computing kpt #: 396 total cpu time spent up to now is 834.5 secs Computing kpt #: 397 total cpu time spent up to now is 837.8 secs Computing kpt #: 398 total cpu time spent up to now is 840.1 secs Computing kpt #: 399 total cpu time spent up to now is 843.6 secs Computing kpt #: 400 total cpu time spent up to now is 846.0 secs Computing kpt #: 401 total cpu time spent up to now is 848.9 secs Computing kpt #: 402 total cpu time spent up to now is 850.9 secs Computing kpt #: 403 total cpu time spent up to now is 853.0 secs Computing kpt #: 404 total cpu time spent up to now is 855.1 secs Computing kpt #: 405 total cpu time spent up to now is 857.2 secs Computing kpt #: 406 total cpu time spent up to now is 858.9 secs Computing kpt #: 407 total cpu time spent up to now is 860.8 secs Computing kpt #: 408 total cpu time spent up to now is 862.6 secs Computing kpt #: 409 total cpu time spent up to now is 864.8 secs Computing kpt #: 410 total cpu time spent up to now is 867.9 secs Computing kpt #: 411 total cpu time spent up to now is 870.0 secs Computing kpt #: 412 total cpu time spent up to now is 872.0 secs Computing kpt #: 413 total cpu time spent up to now is 874.4 secs Computing kpt #: 414 total cpu time spent up to now is 877.0 secs Computing kpt #: 415 total cpu time spent up to now is 879.5 secs Computing kpt #: 416 total cpu time spent up to now is 881.6 secs Computing kpt #: 417 total cpu time spent up to now is 883.7 secs Computing kpt #: 418 total cpu time spent up to now is 885.7 secs Computing kpt #: 419 total cpu time spent up to now is 887.7 secs Computing kpt #: 420 total cpu time spent up to now is 889.9 secs Computing kpt #: 421 total cpu time spent up to now is 892.4 secs Computing kpt #: 422 total cpu time spent up to now is 894.8 secs Computing kpt #: 423 total cpu time spent up to now is 896.8 secs Computing kpt #: 424 total cpu time spent up to now is 899.6 secs Computing kpt #: 425 total cpu time spent up to now is 901.7 secs Computing kpt #: 426 total cpu time spent up to now is 903.6 secs Computing kpt #: 427 total cpu time spent up to now is 905.6 secs Computing kpt #: 428 total cpu time spent up to now is 907.5 secs ethr = 2.50E-11, avg # of iterations = 38.4 total cpu time spent up to now is 907.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3711 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9884 -22.9884 -22.9665 -22.9665 -15.3822 -15.3822 -15.2973 -15.2973 -15.2809 -15.2809 -15.2524 -15.2524 0.4599 0.4599 2.5853 2.5853 4.4041 4.4041 9.3695 9.3695 9.9748 9.9748 10.1187 10.1187 10.1417 10.1417 10.5148 10.5148 10.5967 10.5967 10.8523 10.8523 10.9031 10.9031 13.2615 13.2615 14.2267 14.2267 14.4896 14.4896 14.8234 14.8234 14.9711 14.9711 k = 0.0058 0.0229-0.0000 ( 3713 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9884 -22.9884 -22.9665 -22.9665 -15.3822 -15.3822 -15.2974 -15.2974 -15.2810 -15.2810 -15.2524 -15.2524 0.4615 0.4615 2.5861 2.5861 4.4059 4.4059 9.3582 9.3582 9.9739 9.9739 10.1169 10.1169 10.1383 10.1383 10.5236 10.5236 10.5846 10.5846 10.8504 10.8504 10.9154 10.9154 13.2662 13.2662 14.2316 14.2316 14.4905 14.4905 14.8228 14.8228 14.9241 14.9241 k = 0.0116 0.0458-0.0000 ( 3717 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9885 -22.9885 -22.9666 -22.9666 -15.3822 -15.3822 -15.2978 -15.2978 -15.2813 -15.2813 -15.2524 -15.2524 0.4665 0.4665 2.5882 2.5882 4.4115 4.4115 9.3243 9.3243 9.9709 9.9709 10.1074 10.1074 10.1356 10.1356 10.5276 10.5276 10.5723 10.5723 10.8451 10.8451 10.9465 10.9465 13.2801 13.2801 14.2466 14.2466 14.4935 14.4935 14.8182 14.8182 14.8307 14.8307 k = 0.0173 0.0686-0.0000 ( 3721 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9886 -22.9886 -22.9668 -22.9668 -15.3823 -15.3823 -15.2985 -15.2985 -15.2817 -15.2817 -15.2525 -15.2525 0.4748 0.4748 2.5918 2.5918 4.4208 4.4208 9.2686 9.2686 9.9651 9.9651 10.0919 10.0919 10.1392 10.1392 10.4859 10.4859 10.6040 10.6040 10.8368 10.8368 10.9873 10.9873 13.3017 13.3017 14.2722 14.2722 14.4983 14.4983 14.7126 14.7126 14.8192 14.8192 k = 0.0231 0.0915-0.0000 ( 3717 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9887 -22.9887 -22.9669 -22.9669 -15.3824 -15.3824 -15.2995 -15.2995 -15.2823 -15.2823 -15.2524 -15.2524 0.4864 0.4864 2.5968 2.5968 4.4338 4.4338 9.1928 9.1928 9.9548 9.9548 10.0780 10.0780 10.1465 10.1465 10.4319 10.4319 10.6475 10.6475 10.8255 10.8255 11.0317 11.0317 13.3291 13.3291 14.3087 14.3087 14.5047 14.5047 14.5913 14.5913 14.8150 14.8150 k = 0.0289 0.1144-0.0000 ( 3721 PWs) bands (ev): -48.6151 -48.6151 -48.6110 -48.6110 -22.9889 -22.9889 -22.9672 -22.9672 -15.3826 -15.3826 -15.3007 -15.3007 -15.2831 -15.2831 -15.2524 -15.2524 0.5013 0.5013 2.6033 2.6033 4.4505 4.4505 9.0992 9.0992 9.9373 9.9373 10.0696 10.0696 10.1566 10.1566 10.3777 10.3777 10.6924 10.6924 10.8113 10.8113 11.0768 11.0768 13.3598 13.3598 14.3557 14.3557 14.4655 14.4655 14.5158 14.5158 14.8096 14.8096 k = 0.0347 0.1373-0.0000 ( 3715 PWs) bands (ev): -48.6150 -48.6150 -48.6110 -48.6110 -22.9891 -22.9891 -22.9674 -22.9674 -15.3828 -15.3828 -15.3022 -15.3022 -15.2840 -15.2840 -15.2523 -15.2523 0.5194 0.5194 2.6111 2.6111 4.4708 4.4708 8.9908 8.9908 9.9094 9.9094 10.0674 10.0674 10.1690 10.1690 10.3292 10.3292 10.7352 10.7352 10.7950 10.7950 11.1210 11.1210 13.3912 13.3912 14.3364 14.3364 14.4188 14.4188 14.5261 14.5261 14.8030 14.8030 k = 0.0405 0.1602-0.0000 ( 3721 PWs) bands (ev): -48.6150 -48.6150 -48.6109 -48.6109 -22.9895 -22.9895 -22.9677 -22.9677 -15.3831 -15.3831 -15.3039 -15.3039 -15.2851 -15.2851 -15.2522 -15.2522 0.5408 0.5408 2.6203 2.6203 4.4947 4.4947 8.8704 8.8704 9.8676 9.8676 10.0713 10.0713 10.1836 10.1836 10.2912 10.2912 10.7641 10.7641 10.7869 10.7869 11.1636 11.1636 13.4208 13.4208 14.2138 14.2138 14.4811 14.4811 14.5407 14.5407 14.7961 14.7961 k = 0.0463 0.1830-0.0000 ( 3713 PWs) bands (ev): -48.6149 -48.6149 -48.6109 -48.6109 -22.9897 -22.9897 -22.9680 -22.9680 -15.3833 -15.3833 -15.3060 -15.3060 -15.2862 -15.2862 -15.2521 -15.2521 0.5655 0.5655 2.6309 2.6309 4.5223 4.5223 8.7405 8.7405 9.8107 9.8107 10.0804 10.0804 10.1996 10.1996 10.2666 10.2666 10.7483 10.7483 10.8173 10.8173 11.2042 11.2042 13.4467 13.4467 14.0911 14.0911 14.5319 14.5319 14.5680 14.5680 14.7916 14.7916 k = 0.0520 0.2059-0.0000 ( 3717 PWs) bands (ev): -48.6149 -48.6149 -48.6108 -48.6108 -22.9901 -22.9901 -22.9684 -22.9684 -15.3837 -15.3837 -15.3082 -15.3082 -15.2875 -15.2875 -15.2519 -15.2519 0.5934 0.5934 2.6428 2.6428 4.5534 4.5534 8.6033 8.6033 9.7397 9.7397 10.0941 10.0941 10.2153 10.2153 10.2567 10.2567 10.7241 10.7241 10.8496 10.8496 11.2428 11.2428 13.4676 13.4676 13.9703 13.9703 14.5540 14.5540 14.6024 14.6024 14.7912 14.7912 k = 0.0578 0.2288-0.0000 ( 3713 PWs) bands (ev): -48.6148 -48.6148 -48.6108 -48.6108 -22.9904 -22.9904 -22.9688 -22.9688 -15.3841 -15.3841 -15.3107 -15.3107 -15.2889 -15.2889 -15.2517 -15.2517 0.6245 0.6245 2.6560 2.6560 4.5880 4.5880 8.4604 8.4604 9.6574 9.6574 10.1116 10.1116 10.2267 10.2267 10.2631 10.2631 10.6973 10.6973 10.8781 10.8781 11.2791 11.2791 13.4825 13.4825 13.8520 13.8520 14.5638 14.5638 14.6095 14.6095 14.7817 14.7817 k = 0.0636 0.2517-0.0000 ( 3709 PWs) bands (ev): -48.6147 -48.6147 -48.6107 -48.6107 -22.9908 -22.9908 -22.9692 -22.9692 -15.3847 -15.3847 -15.3134 -15.3134 -15.2903 -15.2903 -15.2514 -15.2514 0.6587 0.6587 2.6705 2.6705 4.6261 4.6261 8.3132 8.3132 9.5666 9.5666 10.1320 10.1320 10.2350 10.2350 10.2822 10.2822 10.6684 10.6684 10.9026 10.9026 11.3132 11.3132 13.4905 13.4905 13.7371 13.7371 14.5478 14.5478 14.6105 14.6105 14.7581 14.7581 k = 0.0694 0.2745-0.0000 ( 3705 PWs) bands (ev): -48.6146 -48.6146 -48.6106 -48.6106 -22.9912 -22.9912 -22.9696 -22.9696 -15.3853 -15.3853 -15.3163 -15.3163 -15.2918 -15.2918 -15.2511 -15.2511 0.6961 0.6961 2.6862 2.6862 4.6676 4.6676 8.1628 8.1628 9.4695 9.4695 10.1548 10.1548 10.2451 10.2451 10.3077 10.3077 10.6379 10.6379 10.9227 10.9227 11.3450 11.3450 13.4893 13.4893 13.6278 13.6278 14.5031 14.5031 14.6229 14.6229 14.7319 14.7319 k = 0.0752 0.2974-0.0000 ( 3695 PWs) bands (ev): -48.6145 -48.6145 -48.6105 -48.6105 -22.9915 -22.9915 -22.9702 -22.9702 -15.3859 -15.3859 -15.3195 -15.3195 -15.2932 -15.2932 -15.2509 -15.2509 0.7365 0.7365 2.7030 2.7030 4.7124 4.7124 8.0101 8.0101 9.3679 9.3679 10.1790 10.1790 10.2587 10.2587 10.3369 10.3369 10.6060 10.6060 10.9383 10.9383 11.3747 11.3747 13.4645 13.4645 13.5386 13.5386 14.4477 14.4477 14.6381 14.6381 14.7091 14.7091 k = 0.0809 0.3203-0.0000 ( 3707 PWs) bands (ev): -48.6145 -48.6145 -48.6104 -48.6104 -22.9921 -22.9921 -22.9708 -22.9708 -15.3868 -15.3868 -15.3229 -15.3229 -15.2948 -15.2948 -15.2506 -15.2506 0.7801 0.7801 2.7210 2.7210 4.7605 4.7605 7.8557 7.8557 9.2629 9.2629 10.2035 10.2035 10.2761 10.2761 10.3688 10.3688 10.5731 10.5731 10.9492 10.9492 11.4022 11.4022 13.3839 13.3839 13.5019 13.5019 14.3906 14.3906 14.6502 14.6502 14.6937 14.6937 k = 0.0867 0.3432-0.0000 ( 3709 PWs) bands (ev): -48.6144 -48.6144 -48.6103 -48.6103 -22.9926 -22.9926 -22.9714 -22.9714 -15.3877 -15.3877 -15.3264 -15.3264 -15.2963 -15.2963 -15.2503 -15.2503 0.8267 0.8267 2.7400 2.7400 4.8118 4.8118 7.7003 7.7003 9.1553 9.1553 10.2269 10.2269 10.2979 10.2979 10.4030 10.4030 10.5398 10.5398 10.9552 10.9552 11.4277 11.4277 13.2838 13.2838 13.4817 13.4817 14.3368 14.3368 14.6518 14.6518 14.6916 14.6916 k = 0.0925 0.3661-0.0000 ( 3705 PWs) bands (ev): -48.6143 -48.6143 -48.6102 -48.6102 -22.9931 -22.9931 -22.9720 -22.9720 -15.3887 -15.3887 -15.3300 -15.3300 -15.2977 -15.2977 -15.2499 -15.2499 0.8762 0.8762 2.7601 2.7601 4.8662 4.8662 7.5443 7.5443 9.0460 9.0460 10.2484 10.2484 10.3240 10.3240 10.4380 10.4380 10.5079 10.5079 10.9558 10.9558 11.4511 11.4511 13.1829 13.1829 13.4600 13.4600 14.2890 14.2890 14.6460 14.6460 14.6980 14.6980 k = 0.0983 0.3889-0.0000 ( 3705 PWs) bands (ev): -48.6142 -48.6142 -48.6101 -48.6101 -22.9935 -22.9935 -22.9727 -22.9727 -15.3898 -15.3898 -15.3339 -15.3339 -15.2991 -15.2991 -15.2496 -15.2496 0.9287 0.9287 2.7811 2.7811 4.9236 4.9236 7.3883 7.3883 8.9355 8.9355 10.2674 10.2674 10.3535 10.3535 10.4562 10.4562 10.4957 10.4957 10.9506 10.9506 11.4728 11.4728 13.0840 13.0840 13.4350 13.4350 14.2488 14.2488 14.6410 14.6410 14.7025 14.7025 k = 0.1041 0.4118-0.0000 ( 3697 PWs) bands (ev): -48.6141 -48.6141 -48.6100 -48.6100 -22.9940 -22.9940 -22.9733 -22.9733 -15.3911 -15.3911 -15.3377 -15.3377 -15.3004 -15.3004 -15.2491 -15.2491 0.9840 0.9840 2.8030 2.8030 4.9838 4.9838 7.2327 7.2327 8.8243 8.8243 10.2840 10.2840 10.3824 10.3824 10.4349 10.4349 10.5295 10.5295 10.9393 10.9393 11.4930 11.4930 12.9876 12.9876 13.4078 13.4078 14.2169 14.2169 14.6386 14.6386 14.7016 14.7016 k = 0.1099 0.4347-0.0000 ( 3701 PWs) bands (ev): -48.6140 -48.6140 -48.6099 -48.6099 -22.9946 -22.9946 -22.9740 -22.9740 -15.3925 -15.3925 -15.3417 -15.3417 -15.3017 -15.3017 -15.2488 -15.2488 1.0422 1.0422 2.8258 2.8258 5.0467 5.0467 7.0777 7.0777 8.7127 8.7127 10.2977 10.2977 10.3838 10.3838 10.4370 10.4370 10.5729 10.5729 10.9214 10.9214 11.5118 11.5118 12.8940 12.8940 13.3800 13.3800 14.1932 14.1932 14.6365 14.6365 14.6975 14.6975 k = 0.1156 0.4576-0.0000 ( 3699 PWs) bands (ev): -48.6139 -48.6139 -48.6098 -48.6098 -22.9952 -22.9952 -22.9746 -22.9746 -15.3940 -15.3940 -15.3457 -15.3457 -15.3029 -15.3029 -15.2483 -15.2483 1.1031 1.1031 2.8492 2.8492 5.1120 5.1120 6.9239 6.9239 8.6012 8.6012 10.3060 10.3060 10.3587 10.3587 10.4701 10.4701 10.6197 10.6197 10.8965 10.8965 11.5298 11.5298 12.8034 12.8034 13.3535 13.3535 14.1772 14.1772 14.6277 14.6277 14.6980 14.6980 k = 0.1214 0.4805-0.0000 ( 3709 PWs) bands (ev): -48.6138 -48.6138 -48.6097 -48.6097 -22.9958 -22.9958 -22.9754 -22.9754 -15.3958 -15.3958 -15.3498 -15.3498 -15.3040 -15.3040 -15.2479 -15.2479 1.1668 1.1668 2.8733 2.8733 5.1795 5.1795 6.7716 6.7716 8.4901 8.4901 10.2983 10.2983 10.3437 10.3437 10.5080 10.5080 10.6691 10.6691 10.8644 10.8644 11.5472 11.5472 12.7158 12.7158 13.3303 13.3303 14.1683 14.1683 14.6069 14.6069 14.7093 14.7093 k = 0.1272 0.5033-0.0000 ( 3709 PWs) bands (ev): -48.6137 -48.6137 -48.6096 -48.6096 -22.9963 -22.9963 -22.9761 -22.9761 -15.3975 -15.3975 -15.3539 -15.3539 -15.3049 -15.3049 -15.2475 -15.2475 1.2330 1.2330 2.8979 2.8979 5.2486 5.2486 6.6215 6.6215 8.3798 8.3798 10.2715 10.2715 10.3451 10.3451 10.5467 10.5467 10.7209 10.7209 10.8256 10.8256 11.5645 11.5645 12.6314 12.6314 13.3123 13.3123 14.1656 14.1656 14.5758 14.5758 14.7301 14.7301 k = 0.1330 0.5262-0.0000 ( 3709 PWs) bands (ev): -48.6135 -48.6135 -48.6095 -48.6095 -22.9969 -22.9969 -22.9768 -22.9768 -15.3993 -15.3993 -15.3579 -15.3579 -15.3057 -15.3057 -15.2471 -15.2471 1.3018 1.3018 2.9231 2.9231 5.3187 5.3187 6.4743 6.4743 8.2705 8.2705 10.2394 10.2394 10.3496 10.3496 10.5841 10.5841 10.7710 10.7710 10.7853 10.7853 11.5822 11.5822 12.5500 12.5500 13.3008 13.3008 14.1685 14.1685 14.5372 14.5372 14.7571 14.7571 k = 0.1388 0.5491-0.0000 ( 3709 PWs) bands (ev): -48.6134 -48.6134 -48.6094 -48.6094 -22.9975 -22.9975 -22.9775 -22.9775 -15.4013 -15.4013 -15.3620 -15.3620 -15.3065 -15.3065 -15.2466 -15.2466 1.3731 1.3731 2.9486 2.9486 5.3883 5.3883 6.3316 6.3316 8.1626 8.1626 10.2064 10.2064 10.3527 10.3527 10.6133 10.6133 10.7366 10.7366 10.8327 10.8327 11.6008 11.6008 12.4717 12.4717 13.2969 13.2969 14.1763 14.1763 14.4925 14.4925 14.7877 14.7877 k = 0.1445 0.5720-0.0000 ( 3709 PWs) bands (ev): -48.6133 -48.6133 -48.6093 -48.6093 -22.9981 -22.9981 -22.9781 -22.9781 -15.4033 -15.4033 -15.3659 -15.3659 -15.3072 -15.3072 -15.2462 -15.2462 1.4467 1.4467 2.9744 2.9744 5.4544 5.4544 6.1962 6.1962 8.0563 8.0563 10.1738 10.1738 10.3534 10.3534 10.6085 10.6085 10.7202 10.7202 10.8914 10.8914 11.6208 11.6208 12.3966 12.3966 13.3013 13.3013 14.1886 14.1886 14.4426 14.4426 14.8191 14.8191 k = 0.1503 0.5949-0.0000 ( 3709 PWs) bands (ev): -48.6132 -48.6132 -48.6092 -48.6092 -22.9986 -22.9986 -22.9787 -22.9787 -15.4053 -15.4053 -15.3698 -15.3698 -15.3077 -15.3077 -15.2458 -15.2458 1.5225 1.5225 3.0004 3.0004 5.5106 5.5106 6.0748 6.0748 7.9520 7.9520 10.1420 10.1420 10.3510 10.3510 10.5565 10.5565 10.7440 10.7440 10.9525 10.9525 11.6424 11.6424 12.3247 12.3247 13.3143 13.3143 14.2048 14.2048 14.3883 14.3883 14.8471 14.8471 k = 0.1561 0.6177-0.0000 ( 3705 PWs) bands (ev): -48.6131 -48.6131 -48.6091 -48.6091 -22.9991 -22.9991 -22.9794 -22.9794 -15.4074 -15.4074 -15.3736 -15.3736 -15.3081 -15.3081 -15.2454 -15.2454 1.6004 1.6004 3.0265 3.0265 5.5407 5.5407 5.9834 5.9834 7.8500 7.8500 10.1112 10.1112 10.3451 10.3451 10.4850 10.4850 10.7811 10.7811 11.0157 11.0157 11.6661 11.6661 12.2560 12.2560 13.3359 13.3359 14.2231 14.2231 14.3314 14.3314 14.8664 14.8664 k = 0.1619 0.6406-0.0000 ( 3703 PWs) bands (ev): -48.6130 -48.6130 -48.6090 -48.6090 -22.9996 -22.9996 -22.9799 -22.9799 -15.4094 -15.4094 -15.3772 -15.3772 -15.3084 -15.3084 -15.2450 -15.2450 1.6803 1.6803 3.0527 3.0527 5.5189 5.5189 5.9479 5.9479 7.7505 7.7505 10.0816 10.0816 10.3342 10.3342 10.4061 10.4061 10.8216 10.8216 11.0812 11.0812 11.6920 11.6920 12.1906 12.1906 13.3657 13.3657 14.2311 14.2311 14.2848 14.2848 14.8704 14.8704 k = 0.1677 0.6635-0.0000 ( 3707 PWs) bands (ev): -48.6129 -48.6129 -48.6089 -48.6089 -23.0002 -23.0002 -22.9805 -22.9805 -15.4115 -15.4115 -15.3808 -15.3808 -15.3087 -15.3087 -15.2446 -15.2446 1.7618 1.7618 3.0789 3.0789 5.4404 5.4404 5.9729 5.9729 7.6540 7.6540 10.0535 10.0535 10.2998 10.2998 10.3412 10.3412 10.8632 10.8632 11.1487 11.1487 11.7200 11.7200 12.1284 12.1284 13.4033 13.4033 14.1856 14.1856 14.2921 14.2921 14.8541 14.8541 k = 0.1735 0.6864-0.0000 ( 3706 PWs) bands (ev): -48.6128 -48.6128 -48.6088 -48.6088 -23.0006 -23.0006 -22.9811 -22.9811 -15.4135 -15.4135 -15.3842 -15.3842 -15.3089 -15.3089 -15.2442 -15.2442 1.8449 1.8449 3.1050 3.1050 5.3300 5.3300 6.0336 6.0336 7.5606 7.5606 10.0268 10.0268 10.2157 10.2157 10.3181 10.3181 10.9052 10.9052 11.2182 11.2182 11.7500 11.7500 12.0698 12.0698 13.4481 13.4481 14.1186 14.1186 14.3217 14.3217 14.8170 14.8170 k = 0.1792 0.7093-0.0000 ( 3704 PWs) bands (ev): -48.6127 -48.6127 -48.6088 -48.6088 -23.0011 -23.0011 -22.9816 -22.9816 -15.4154 -15.4154 -15.3874 -15.3874 -15.3090 -15.3090 -15.2439 -15.2439 1.9291 1.9291 3.1312 3.1312 5.2065 5.2065 6.1112 6.1112 7.4709 7.4709 10.0017 10.0017 10.1202 10.1202 10.2998 10.2998 10.9472 10.9472 11.2895 11.2895 11.7814 11.7814 12.0152 12.0152 13.4994 13.4994 14.0467 14.0467 14.3576 14.3576 14.7637 14.7637 k = 0.1850 0.7321-0.0000 ( 3700 PWs) bands (ev): -48.6126 -48.6126 -48.6087 -48.6087 -23.0015 -23.0015 -22.9821 -22.9821 -15.4173 -15.4173 -15.3905 -15.3905 -15.3091 -15.3091 -15.2436 -15.2436 2.0141 2.0141 3.1576 3.1576 5.0780 5.0780 6.1974 6.1974 7.3850 7.3850 9.9784 9.9784 10.0206 10.0206 10.2799 10.2799 10.9891 10.9891 11.3627 11.3627 11.8122 11.8122 11.9662 11.9662 13.5564 13.5564 13.9722 13.9722 14.3978 14.3978 14.7000 14.7000 k = 0.1908 0.7550-0.0000 ( 3704 PWs) bands (ev): -48.6126 -48.6126 -48.6086 -48.6086 -23.0019 -23.0019 -22.9826 -22.9826 -15.4191 -15.4191 -15.3934 -15.3934 -15.3091 -15.3091 -15.2433 -15.2433 2.0993 2.0993 3.1842 3.1842 4.9477 4.9477 6.2888 6.2888 7.3035 7.3035 9.9180 9.9180 9.9571 9.9571 10.2583 10.2583 11.0309 11.0309 11.4373 11.4373 11.8354 11.8354 11.9297 11.9297 13.6182 13.6182 13.8959 13.8959 14.4416 14.4416 14.6315 14.6315 k = 0.1966 0.7779-0.0000 ( 3696 PWs) bands (ev): -48.6125 -48.6125 -48.6085 -48.6085 -23.0023 -23.0023 -22.9830 -22.9830 -15.4207 -15.4207 -15.3960 -15.3960 -15.3091 -15.3091 -15.2431 -15.2431 2.1843 2.1843 3.2115 3.2115 4.8173 4.8173 6.3834 6.3834 7.2267 7.2267 9.8139 9.8139 9.9374 9.9374 10.2349 10.2349 11.0727 11.0727 11.5130 11.5130 11.8296 11.8296 11.9269 11.9269 13.6835 13.6835 13.8188 13.8188 14.4852 14.4852 14.5656 14.5656 k = 0.2024 0.8008-0.0000 ( 3706 PWs) bands (ev): -48.6124 -48.6124 -48.6085 -48.6085 -23.0027 -23.0027 -22.9834 -22.9834 -15.4222 -15.4222 -15.3984 -15.3984 -15.3091 -15.3091 -15.2429 -15.2429 2.2681 2.2681 3.2400 3.2400 4.6876 4.6876 6.4800 6.4800 7.1554 7.1554 9.7086 9.7086 9.9196 9.9196 10.2100 10.2100 11.1143 11.1143 11.5887 11.5887 11.7989 11.7989 11.9541 11.9541 13.7343 13.7343 13.7584 13.7584 14.4751 14.4751 14.5584 14.5584 k = 0.2081 0.8236-0.0000 ( 3704 PWs) bands (ev): -48.6124 -48.6124 -48.6084 -48.6084 -23.0030 -23.0030 -22.9838 -22.9838 -15.4236 -15.4236 -15.4006 -15.4006 -15.3090 -15.3090 -15.2427 -15.2427 2.3496 2.3496 3.2705 3.2705 4.5591 4.5591 6.5773 6.5773 7.0904 7.0904 9.6029 9.6029 9.9039 9.9039 10.1839 10.1839 11.1560 11.1560 11.6589 11.6589 11.7693 11.7693 11.9899 11.9899 13.6612 13.6612 13.8235 13.8235 14.4120 14.4120 14.6114 14.6114 k = 0.2139 0.8465-0.0000 ( 3716 PWs) bands (ev): -48.6123 -48.6123 -48.6084 -48.6084 -23.0033 -23.0033 -22.9842 -22.9842 -15.4249 -15.4249 -15.4027 -15.4027 -15.3090 -15.3090 -15.2426 -15.2426 2.4276 2.4276 3.3039 3.3039 4.4320 4.4320 6.6730 6.6730 7.0336 7.0336 9.4972 9.4972 9.8903 9.8903 10.1569 10.1569 11.1977 11.1977 11.6883 11.6883 11.7814 11.7814 12.0280 12.0280 13.5839 13.5839 13.8936 13.8936 14.3485 14.3485 14.6736 14.6736 k = 0.2197 0.8694-0.0000 ( 3712 PWs) bands (ev): -48.6123 -48.6123 -48.6084 -48.6084 -23.0035 -23.0035 -22.9844 -22.9844 -15.4259 -15.4259 -15.4043 -15.4043 -15.3089 -15.3089 -15.2425 -15.2425 2.5004 2.5004 3.3418 3.3418 4.3067 4.3067 6.7611 6.7611 6.9911 6.9911 9.3923 9.3923 9.8787 9.8787 10.1292 10.1292 11.2397 11.2397 11.6647 11.6647 11.8480 11.8480 12.0667 12.0667 13.5074 13.5074 13.9626 13.9626 14.2899 14.2899 14.7417 14.7417 k = 0.2255 0.8923-0.0000 ( 3720 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0038 -23.0038 -22.9847 -22.9847 -15.4267 -15.4267 -15.4057 -15.4057 -15.3088 -15.3088 -15.2425 -15.2425 2.5661 2.5661 3.3856 3.3856 4.1832 4.1832 6.8192 6.8192 6.9847 6.9847 9.2888 9.2888 9.8692 9.8692 10.1011 10.1011 11.2819 11.2819 11.6321 11.6321 11.9244 11.9244 12.1057 12.1057 13.4324 13.4324 14.0281 14.0281 14.2384 14.2384 14.8155 14.8155 k = 0.2313 0.9152-0.0000 ( 3710 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0038 -23.0038 -22.9849 -22.9849 -15.4273 -15.4273 -15.4068 -15.4068 -15.3087 -15.3087 -15.2424 -15.2424 2.6230 2.6230 3.4369 3.4369 4.0617 4.0617 6.8209 6.8209 7.0406 7.0406 9.1875 9.1875 9.8619 9.8619 10.0728 10.0728 11.3245 11.3245 11.5990 11.5990 11.9993 11.9993 12.1464 12.1464 13.3592 13.3592 14.0860 14.0860 14.1980 14.1980 14.8948 14.8948 k = 0.2371 0.9380-0.0000 ( 3718 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0040 -23.0040 -22.9851 -22.9851 -15.4278 -15.4278 -15.4077 -15.4077 -15.3086 -15.3086 -15.2425 -15.2425 2.6693 2.6693 3.4973 3.4973 3.9421 3.9421 6.7967 6.7967 7.1274 7.1274 9.0892 9.0892 9.8567 9.8567 10.0444 10.0444 11.3676 11.3676 11.5667 11.5667 12.0657 12.0657 12.1931 12.1931 13.2884 13.2884 14.1182 14.1182 14.1861 14.1861 14.9797 14.9797 k = 0.2428 0.9609-0.0000 ( 3716 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0040 -23.0040 -22.9852 -22.9852 -15.4280 -15.4280 -15.4083 -15.4083 -15.3084 -15.3084 -15.2425 -15.2425 2.7043 2.7043 3.5673 3.5673 3.8248 3.8248 6.7700 6.7700 7.2210 7.2210 8.9952 8.9952 9.8536 9.8536 10.0163 10.0163 11.4114 11.4114 11.5353 11.5353 12.1154 12.1154 12.2527 12.2527 13.2205 13.2205 14.1087 14.1087 14.2180 14.2180 15.0506 15.0506 k = 0.2486 0.9838-0.0000 ( 3706 PWs) bands (ev): -48.6122 -48.6122 -48.6082 -48.6082 -23.0039 -23.0039 -22.9852 -22.9852 -15.4280 -15.4280 -15.4085 -15.4085 -15.3083 -15.3083 -15.2426 -15.2426 2.7278 2.7278 3.6460 3.6460 3.7107 3.7107 6.7465 6.7465 7.3141 7.3141 8.9068 8.9068 9.8526 9.8526 9.9886 9.9886 11.4559 11.4559 11.5049 11.5049 12.1465 12.1465 12.3254 12.3254 13.1559 13.1559 14.0946 14.0946 14.2559 14.2559 15.0178 15.0178 k = 0.2544 1.0067-0.0000 ( 3704 PWs) bands (ev): -48.6122 -48.6122 -48.6082 -48.6082 -23.0039 -23.0039 -22.9852 -22.9852 -15.4278 -15.4278 -15.4085 -15.4085 -15.3082 -15.3082 -15.2428 -15.2428 2.7403 2.7403 3.5951 3.5951 3.7377 3.7377 6.7281 6.7281 7.4028 7.4028 8.8264 8.8264 9.8537 9.8537 9.9616 9.9616 11.4751 11.4751 11.5012 11.5012 12.1637 12.1637 12.4058 12.4058 13.0950 13.0950 14.0884 14.0884 14.2864 14.2864 14.9834 14.9834 k = 0.2602 1.0296-0.0000 ( 3702 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0038 -23.0038 -22.9851 -22.9851 -15.4274 -15.4274 -15.4082 -15.4082 -15.3081 -15.3081 -15.2430 -15.2430 2.7427 2.7427 3.4846 3.4846 3.8348 3.8348 6.7154 6.7154 7.4837 7.4837 8.7567 8.7567 9.8566 9.8566 9.9355 9.9355 11.4459 11.4459 11.5475 11.5475 12.1704 12.1704 12.4896 12.4896 13.0384 13.0384 14.0921 14.0921 14.3068 14.3068 14.9495 14.9495 k = 0.2660 1.0524-0.0000 ( 3708 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0037 -23.0037 -22.9851 -22.9851 -15.4269 -15.4269 -15.4077 -15.4077 -15.3081 -15.3081 -15.2432 -15.2432 2.7361 2.7361 3.3760 3.3760 3.9394 3.9394 6.7084 6.7084 7.5524 7.5524 8.7016 8.7016 9.8609 9.8609 9.9110 9.9110 11.4168 11.4168 11.5948 11.5948 12.1684 12.1684 12.5743 12.5743 12.9865 12.9865 14.1056 14.1056 14.3160 14.3160 14.9170 14.9170 k = 0.2660 1.0524-0.0000 ( 3708 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0037 -23.0037 -22.9851 -22.9851 -15.4269 -15.4269 -15.4077 -15.4077 -15.3081 -15.3081 -15.2432 -15.2432 2.7361 2.7361 3.3760 3.3760 3.9394 3.9394 6.7084 6.7084 7.5524 7.5524 8.7016 8.7016 9.8609 9.8609 9.9110 9.9110 11.4168 11.4168 11.5948 11.5948 12.1684 12.1684 12.5743 12.5743 12.9865 12.9865 14.1056 14.1056 14.3160 14.3160 14.9170 14.9170 k = 0.2438 1.0524-0.0000 ( 3707 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0037 -23.0037 -22.9851 -22.9851 -15.4270 -15.4270 -15.4078 -15.4078 -15.3081 -15.3081 -15.2432 -15.2432 2.7380 2.7380 3.4009 3.4009 3.9154 3.9154 6.7061 6.7061 7.5446 7.5446 8.7046 8.7046 9.8600 9.8600 9.9233 9.9233 11.4233 11.4233 11.5798 11.5798 12.1718 12.1718 12.5574 12.5574 12.9935 12.9935 14.0989 14.0989 14.3144 14.3144 14.9298 14.9298 k = 0.2216 1.0524-0.0000 ( 3705 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0037 -23.0037 -22.9851 -22.9851 -15.4272 -15.4272 -15.4080 -15.4080 -15.3081 -15.3081 -15.2431 -15.2431 2.7389 2.7389 3.4259 3.4259 3.8930 3.8930 6.6974 6.6974 7.5495 7.5495 8.6926 8.6926 9.8591 9.8591 9.9493 9.9493 11.4293 11.4293 11.5575 11.5575 12.1792 12.1792 12.5457 12.5457 12.9920 12.9920 14.0873 14.0873 14.3115 14.3115 14.9533 14.9533 k = 0.1995 1.0524-0.0000 ( 3703 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0037 -23.0037 -22.9851 -22.9851 -15.4273 -15.4273 -15.4081 -15.4081 -15.3081 -15.3081 -15.2430 -15.2430 2.7391 2.7391 3.4503 3.4503 3.8724 3.8724 6.6833 6.6833 7.5663 7.5663 8.6669 8.6669 9.8582 9.8582 9.9872 9.9872 11.4345 11.4345 11.5291 11.5291 12.1897 12.1897 12.5393 12.5393 12.9826 12.9826 14.0713 14.0713 14.3077 14.3077 14.9869 14.9869 k = 0.1773 1.0524-0.0000 ( 3701 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0037 -23.0037 -22.9851 -22.9851 -15.4274 -15.4274 -15.4082 -15.4082 -15.3081 -15.3081 -15.2429 -15.2429 2.7388 2.7388 3.4738 3.4738 3.8537 3.8537 6.6651 6.6651 7.5937 7.5937 8.6295 8.6295 9.8572 9.8572 10.0344 10.0344 11.4377 11.4377 11.4967 11.4967 12.2023 12.2023 12.5380 12.5380 12.9662 12.9662 14.0519 14.0519 14.3034 14.3034 15.0294 15.0294 k = 0.1551 1.0524-0.0000 ( 3703 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0038 -23.0038 -22.9851 -22.9851 -15.4275 -15.4275 -15.4083 -15.4083 -15.3082 -15.3082 -15.2429 -15.2429 2.7381 2.7381 3.4958 3.4958 3.8369 3.8369 6.6447 6.6447 7.6301 7.6301 8.5830 8.5830 9.8564 9.8564 10.0878 10.0878 11.4339 11.4339 11.4671 11.4671 12.2161 12.2161 12.5416 12.5416 12.9440 12.9440 14.0299 14.0299 14.2993 14.2993 15.0791 15.0791 k = 0.1330 1.0524-0.0000 ( 3702 PWs) bands (ev): -48.6122 -48.6122 -48.6082 -48.6082 -23.0038 -23.0038 -22.9852 -22.9852 -15.4276 -15.4276 -15.4084 -15.4084 -15.3082 -15.3082 -15.2428 -15.2428 2.7373 2.7373 3.5160 3.5160 3.8221 3.8221 6.6237 6.6237 7.6735 7.6735 8.5299 8.5299 9.8556 9.8556 10.1442 10.1442 11.4078 11.4078 11.4568 11.4568 12.2302 12.2302 12.5500 12.5500 12.9173 12.9173 14.0070 14.0070 14.2956 14.2956 15.1341 15.1341 k = 0.1108 1.0524-0.0000 ( 3705 PWs) bands (ev): -48.6122 -48.6122 -48.6082 -48.6082 -23.0038 -23.0038 -22.9852 -22.9852 -15.4277 -15.4277 -15.4085 -15.4085 -15.3082 -15.3082 -15.2428 -15.2428 2.7364 2.7364 3.5338 3.5338 3.8095 3.8095 6.6035 6.6035 7.7221 7.7221 8.4724 8.4724 9.8550 9.8550 10.2006 10.2006 11.3704 11.3704 11.4568 11.4568 12.2437 12.2437 12.5625 12.5625 12.8875 12.8875 13.9846 13.9846 14.2924 14.2924 15.1918 15.1918 k = 0.0887 1.0524-0.0000 ( 3712 PWs) bands (ev): -48.6122 -48.6122 -48.6082 -48.6082 -23.0039 -23.0039 -22.9853 -22.9853 -15.4278 -15.4278 -15.4086 -15.4086 -15.3082 -15.3082 -15.2428 -15.2428 2.7356 2.7356 3.5490 3.5490 3.7990 3.7990 6.5855 6.5855 7.7738 7.7738 8.4130 8.4130 9.8544 9.8544 10.2538 10.2538 11.3329 11.3329 11.4580 11.4580 12.2558 12.2558 12.5786 12.5786 12.8561 12.8561 13.9640 13.9640 14.2898 14.2898 15.2490 15.2490 k = 0.0665 1.0524-0.0000 ( 3715 PWs) bands (ev): -48.6122 -48.6122 -48.6082 -48.6082 -23.0038 -23.0038 -22.9854 -22.9854 -15.4278 -15.4278 -15.4087 -15.4087 -15.3082 -15.3082 -15.2428 -15.2428 2.7349 2.7349 3.5612 3.5612 3.7907 3.7907 6.5705 6.5705 7.8258 7.8258 8.3548 8.3548 9.8540 9.8540 10.3004 10.3004 11.2989 11.2989 11.4591 11.4591 12.2659 12.2659 12.5974 12.5974 12.8246 12.8246 13.9466 13.9466 14.2879 14.2879 15.3016 15.3016 k = 0.0443 1.0524-0.0000 ( 3719 PWs) bands (ev): -48.6122 -48.6122 -48.6082 -48.6082 -23.0039 -23.0039 -22.9854 -22.9854 -15.4279 -15.4279 -15.4087 -15.4087 -15.3083 -15.3083 -15.2428 -15.2428 2.7343 2.7343 3.5701 3.5701 3.7847 3.7847 6.5593 6.5593 7.8740 7.8740 8.3021 8.3021 9.8537 9.8537 10.3373 10.3373 11.2716 11.2716 11.4599 11.4599 12.2736 12.2736 12.6170 12.6170 12.7955 12.7955 13.9334 13.9334 14.2865 14.2865 15.3451 15.3451 k = 0.0222 1.0524-0.0000 ( 3722 PWs) bands (ev): -48.6122 -48.6122 -48.6082 -48.6082 -23.0039 -23.0039 -22.9854 -22.9854 -15.4280 -15.4280 -15.4087 -15.4087 -15.3083 -15.3083 -15.2428 -15.2428 2.7340 2.7340 3.5756 3.5756 3.7811 3.7811 6.5523 6.5523 7.9109 7.9109 8.2623 8.2623 9.8536 9.8536 10.3610 10.3610 11.2536 11.2536 11.4604 11.4604 12.2783 12.2783 12.6338 12.6338 12.7728 12.7728 13.9252 13.9252 14.2857 14.2857 15.3743 15.3743 k = 0.0000 1.0524-0.0000 ( 3724 PWs) bands (ev): -48.6122 -48.6122 -48.6082 -48.6082 -23.0039 -23.0039 -22.9855 -22.9855 -15.4280 -15.4280 -15.4088 -15.4088 -15.3083 -15.3083 -15.2429 -15.2429 2.7339 2.7339 3.5774 3.5774 3.7799 3.7799 6.5500 6.5500 7.9255 7.9255 8.2468 8.2468 9.8535 9.8535 10.3693 10.3693 11.2474 11.2474 11.4606 11.4606 12.2800 12.2800 12.6411 12.6411 12.7636 12.7636 13.9224 13.9224 14.2855 14.2855 15.3846 15.3846 k = 0.0000 1.0524-0.0000 ( 3724 PWs) bands (ev): -48.6122 -48.6122 -48.6082 -48.6082 -23.0039 -23.0039 -22.9855 -22.9855 -15.4280 -15.4280 -15.4088 -15.4088 -15.3083 -15.3083 -15.2429 -15.2429 2.7339 2.7339 3.5774 3.5774 3.7799 3.7799 6.5500 6.5500 7.9255 7.9255 8.2468 8.2468 9.8535 9.8535 10.3693 10.3693 11.2474 11.2474 11.4606 11.4606 12.2800 12.2800 12.6411 12.6411 12.7636 12.7636 13.9224 13.9224 14.2855 14.2855 15.3846 15.3846 k = 0.0000 1.0524 0.0234 ( 3722 PWs) bands (ev): -48.6122 -48.6122 -48.6082 -48.6082 -23.0039 -23.0039 -22.9855 -22.9855 -15.4279 -15.4279 -15.4087 -15.4087 -15.3084 -15.3084 -15.2429 -15.2429 2.7348 2.7348 3.5788 3.5788 3.7812 3.7812 6.5511 6.5511 7.9232 7.9232 8.2487 8.2487 9.8510 9.8510 10.3685 10.3685 11.2465 11.2465 11.4524 11.4524 12.2505 12.2505 12.6595 12.6595 12.7631 12.7631 13.9272 13.9272 14.2910 14.2910 15.3743 15.3743 k = 0.0000 1.0524 0.0467 ( 3718 PWs) bands (ev): -48.6122 -48.6122 -48.6082 -48.6082 -23.0039 -23.0039 -22.9855 -22.9855 -15.4278 -15.4278 -15.4087 -15.4087 -15.3087 -15.3087 -15.2433 -15.2433 2.7375 2.7375 3.5827 3.5827 3.7851 3.7851 6.5545 6.5545 7.9164 7.9164 8.2542 8.2542 9.8438 9.8438 10.3663 10.3663 11.2439 11.2439 11.4283 11.4283 12.1777 12.1777 12.6816 12.6816 12.7795 12.7795 13.9412 13.9412 14.3073 14.3073 15.3616 15.3616 k = 0.0000 1.0524 0.0701 ( 3716 PWs) bands (ev): -48.6121 -48.6121 -48.6082 -48.6082 -23.0040 -23.0040 -22.9856 -22.9856 -15.4277 -15.4277 -15.4087 -15.4087 -15.3092 -15.3092 -15.2439 -15.2439 2.7421 2.7421 3.5893 3.5893 3.7916 3.7916 6.5601 6.5601 7.9052 7.9052 8.2634 8.2634 9.8319 9.8319 10.3625 10.3625 11.2390 11.2390 11.3895 11.3895 12.0826 12.0826 12.6645 12.6645 12.8363 12.8363 13.9632 13.9632 14.3341 14.3341 15.3553 15.3553 k = 0.0000 1.0524 0.0935 ( 3712 PWs) bands (ev): -48.6121 -48.6121 -48.6082 -48.6082 -23.0041 -23.0041 -22.9857 -22.9857 -15.4275 -15.4275 -15.4087 -15.4087 -15.3099 -15.3099 -15.2447 -15.2447 2.7485 2.7485 3.5984 3.5984 3.8006 3.8006 6.5677 6.5677 7.8896 7.8896 8.2762 8.2762 9.8160 9.8160 10.3571 10.3571 11.2307 11.2307 11.3385 11.3385 11.9757 11.9757 12.6227 12.6227 12.9100 12.9100 13.9914 13.9914 14.3706 14.3706 15.3564 15.3564 k = 0.0000 1.0524 0.1168 ( 3708 PWs) bands (ev): -48.6120 -48.6120 -48.6082 -48.6082 -23.0042 -23.0042 -22.9859 -22.9859 -15.4272 -15.4272 -15.4087 -15.4087 -15.3108 -15.3108 -15.2458 -15.2458 2.7568 2.7568 3.6102 3.6102 3.8122 3.8122 6.5772 6.5772 7.8699 7.8699 8.2924 8.2924 9.7964 9.7964 10.3499 10.3499 11.2133 11.2133 11.2823 11.2823 11.8617 11.8617 12.5674 12.5674 12.9874 12.9874 14.0239 14.0239 14.4160 14.4160 15.3649 15.3649 k = 0.0000 1.0524 0.1402 ( 3710 PWs) bands (ev): -48.6120 -48.6120 -48.6081 -48.6081 -23.0044 -23.0044 -22.9862 -22.9862 -15.4269 -15.4269 -15.4088 -15.4088 -15.3120 -15.3120 -15.2471 -15.2471 2.7669 2.7669 3.6245 3.6245 3.8264 3.8264 6.5885 6.5885 7.8462 7.8462 8.3119 8.3119 9.7739 9.7739 10.3409 10.3409 11.1671 11.1671 11.2419 11.2419 11.7433 11.7433 12.5025 12.5025 13.0646 13.0646 14.0583 14.0583 14.4691 14.4691 15.3808 15.3808 k = 0.0000 1.0524 0.1636 ( 3710 PWs) bands (ev): -48.6119 -48.6119 -48.6081 -48.6081 -23.0046 -23.0046 -22.9866 -22.9866 -15.4265 -15.4265 -15.4088 -15.4088 -15.3133 -15.3133 -15.2486 -15.2486 2.7788 2.7788 3.6414 3.6414 3.8432 3.8432 6.6011 6.6011 7.8189 7.8189 8.3346 8.3346 9.7490 9.7490 10.3297 10.3297 11.0906 11.0906 11.2197 11.2197 11.6230 11.6230 12.4302 12.4302 13.1405 13.1405 14.0926 14.0926 14.5286 14.5286 15.4045 15.4045 k = 0.0000 1.0524 0.1869 ( 3708 PWs) bands (ev): -48.6119 -48.6119 -48.6081 -48.6081 -23.0047 -23.0047 -22.9870 -22.9870 -15.4261 -15.4261 -15.4089 -15.4089 -15.3147 -15.3147 -15.2504 -15.2504 2.7925 2.7925 3.6609 3.6609 3.8625 3.8625 6.6149 6.6149 7.7884 7.7884 8.3604 8.3604 9.7225 9.7225 10.3160 10.3160 11.0013 11.0013 11.1977 11.1977 11.5042 11.5042 12.3523 12.3523 13.2147 13.2147 14.1251 14.1251 14.5931 14.5931 15.4360 15.4360 k = 0.0000 1.0524 0.2103 ( 3704 PWs) bands (ev): -48.6118 -48.6118 -48.6080 -48.6080 -23.0049 -23.0049 -22.9874 -22.9874 -15.4256 -15.4256 -15.4090 -15.4090 -15.3163 -15.3163 -15.2524 -15.2524 2.8080 2.8080 3.6828 3.6828 3.8843 3.8843 6.6291 6.6291 7.7552 7.7552 8.3890 8.3890 9.6950 9.6950 10.2992 10.2992 10.9055 10.9055 11.1648 11.1648 11.3940 11.3940 12.2704 12.2704 13.2871 13.2871 14.1543 14.1543 14.6609 14.6609 15.4754 15.4754 k = 0.0000 1.0524 0.2337 ( 3702 PWs) bands (ev): -48.6117 -48.6117 -48.6080 -48.6080 -23.0051 -23.0051 -22.9878 -22.9878 -15.4251 -15.4251 -15.4091 -15.4091 -15.3181 -15.3181 -15.2545 -15.2545 2.8254 2.8254 3.7073 3.7073 3.9086 3.9086 6.6433 6.6433 7.7200 7.7200 8.4202 8.4202 9.6669 9.6669 10.2785 10.2785 10.8065 10.8065 11.1058 11.1058 11.3074 11.3074 12.1855 12.1855 13.3577 13.3577 14.1796 14.1796 14.7304 14.7304 15.5224 15.5224 k = 0.0000 1.0524 0.2570 ( 3696 PWs) bands (ev): -48.6116 -48.6116 -48.6079 -48.6079 -23.0053 -23.0053 -22.9883 -22.9883 -15.4246 -15.4246 -15.4092 -15.4092 -15.3199 -15.3199 -15.2568 -15.2568 2.8446 2.8446 3.7341 3.7341 3.9354 3.9354 6.6565 6.6565 7.6838 7.6838 8.4538 8.4538 9.6389 9.6389 10.2525 10.2525 10.7070 10.7070 11.0112 11.0112 11.2543 11.2543 12.0987 12.0987 13.4268 13.4268 14.2005 14.2005 14.7998 14.7998 15.5762 15.5762 k = 0.0000 1.0524 0.2804 ( 3700 PWs) bands (ev): -48.6115 -48.6115 -48.6079 -48.6079 -23.0056 -23.0056 -22.9889 -22.9889 -15.4240 -15.4240 -15.4093 -15.4093 -15.3220 -15.3220 -15.2592 -15.2592 2.8656 2.8656 3.7634 3.7634 3.9647 3.9647 6.6678 6.6678 7.6479 7.6479 8.4893 8.4893 9.6111 9.6111 10.2190 10.2190 10.6103 10.6103 10.8941 10.8941 11.2222 11.2222 12.0109 12.0109 13.4946 13.4946 14.2173 14.2173 14.8675 14.8675 15.6357 15.6357 k = 0.0000 1.0524 0.3038 ( 3696 PWs) bands (ev): -48.6113 -48.6113 -48.6078 -48.6078 -23.0059 -23.0059 -22.9894 -22.9894 -15.4235 -15.4235 -15.4095 -15.4095 -15.3240 -15.3240 -15.2618 -15.2618 2.8884 2.8884 3.7950 3.7950 3.9964 3.9964 6.6759 6.6759 7.6135 7.6135 8.5263 8.5263 9.5838 9.5838 10.1750 10.1750 10.5201 10.5201 10.7680 10.7680 11.1986 11.1986 11.9226 11.9226 13.5614 13.5614 14.2305 14.2305 14.9319 14.9319 15.6995 15.6995 k = 0.0000 1.0524 0.3272 ( 3696 PWs) bands (ev): -48.6112 -48.6112 -48.6078 -48.6078 -23.0062 -23.0062 -22.9900 -22.9900 -15.4230 -15.4230 -15.4097 -15.4097 -15.3262 -15.3262 -15.2645 -15.2645 2.9130 2.9130 3.8289 3.8289 4.0305 4.0305 6.6792 6.6792 7.5826 7.5826 8.5642 8.5642 9.5571 9.5571 10.1171 10.1171 10.4398 10.4398 10.6398 10.6398 11.1780 11.1780 11.8346 11.8346 13.6273 13.6273 14.2409 14.2409 14.9917 14.9917 15.7656 15.7656 k = 0.0000 1.0524 0.3505 ( 3698 PWs) bands (ev): -48.6111 -48.6111 -48.6077 -48.6077 -23.0066 -23.0066 -22.9907 -22.9907 -15.4225 -15.4225 -15.4099 -15.4099 -15.3285 -15.3285 -15.2674 -15.2674 2.9394 2.9394 3.8651 3.8651 4.0671 4.0671 6.6761 6.6761 7.5568 7.5568 8.6022 8.6022 9.5308 9.5308 10.0445 10.0445 10.3690 10.3690 10.5149 10.5149 11.1586 11.1586 11.7473 11.7473 13.6925 13.6925 14.2493 14.2493 15.0459 15.0459 15.8315 15.8315 k = 0.0000 1.0524 0.3739 ( 3694 PWs) bands (ev): -48.6109 -48.6109 -48.6076 -48.6076 -23.0069 -23.0069 -22.9913 -22.9913 -15.4220 -15.4220 -15.4102 -15.4102 -15.3307 -15.3307 -15.2703 -15.2703 2.9676 2.9676 3.9034 3.9034 4.1059 4.1059 6.6651 6.6651 7.5381 7.5381 8.6393 8.6393 9.5045 9.5045 9.9600 9.9600 10.2964 10.2964 10.4047 10.4047 11.1395 11.1395 11.6610 11.6610 13.7573 13.7573 14.2566 14.2566 15.0940 15.0940 15.8939 15.8939 k = 0.0000 1.0524 0.3973 ( 3692 PWs) bands (ev): -48.6108 -48.6108 -48.6076 -48.6076 -23.0072 -23.0072 -22.9921 -22.9921 -15.4215 -15.4215 -15.4105 -15.4105 -15.3329 -15.3329 -15.2733 -15.2733 2.9976 2.9976 3.9439 3.9439 4.1471 4.1471 6.6449 6.6449 7.5279 7.5279 8.6740 8.6740 9.4774 9.4774 9.8689 9.8689 10.2008 10.2008 10.3284 10.3284 11.1204 11.1204 11.5761 11.5761 13.8217 13.8217 14.2638 14.2638 15.1361 15.1361 15.9490 15.9490 k = 0.0000 1.0524 0.4206 ( 3686 PWs) bands (ev): -48.6107 -48.6107 -48.6075 -48.6075 -23.0074 -23.0074 -22.9928 -22.9928 -15.4211 -15.4211 -15.4108 -15.4108 -15.3351 -15.3351 -15.2764 -15.2764 3.0293 3.0293 3.9864 3.9864 4.1906 4.1906 6.6149 6.6149 7.5269 7.5269 8.7042 8.7042 9.4483 9.4483 9.7770 9.7770 10.0877 10.0877 10.2791 10.2791 11.1011 11.1011 11.4928 11.4928 13.8857 13.8857 14.2718 14.2718 15.1725 15.1725 15.9926 15.9926 k = 0.0000 1.0524 0.4440 ( 3686 PWs) bands (ev): -48.6105 -48.6105 -48.6074 -48.6074 -23.0078 -23.0078 -22.9935 -22.9935 -15.4208 -15.4208 -15.4111 -15.4111 -15.3373 -15.3373 -15.2795 -15.2795 3.0628 3.0628 4.0309 4.0309 4.2363 4.2363 6.5753 6.5753 7.5352 7.5352 8.7271 8.7271 9.4150 9.4150 9.6893 9.6893 9.9739 9.9739 10.2401 10.2401 11.0817 11.0817 11.4115 11.4115 13.9494 13.9494 14.2815 14.2815 15.2037 15.2037 16.0218 16.0218 k = 0.0000 1.0524 0.4674 ( 3690 PWs) bands (ev): -48.6104 -48.6104 -48.6074 -48.6074 -23.0082 -23.0082 -22.9943 -22.9943 -15.4206 -15.4206 -15.4116 -15.4116 -15.3394 -15.3394 -15.2826 -15.2826 3.0981 3.0981 4.0772 4.0772 4.2842 4.2842 6.5269 6.5269 7.5521 7.5521 8.7388 8.7388 9.3744 9.3744 9.6105 9.6105 9.8685 9.8685 10.2052 10.2052 11.0621 11.0621 11.3323 11.3323 14.0126 14.0126 14.2937 14.2937 15.2306 15.2306 16.0351 16.0351 k = 0.0000 1.0524 0.4907 ( 3696 PWs) bands (ev): -48.6102 -48.6102 -48.6073 -48.6073 -23.0086 -23.0086 -22.9952 -22.9952 -15.4205 -15.4205 -15.4121 -15.4121 -15.3415 -15.3415 -15.2858 -15.2858 3.1351 3.1351 4.1252 4.1252 4.3342 4.3342 6.4709 6.4709 7.5766 7.5766 8.7349 8.7349 9.3229 9.3229 9.5446 9.5446 9.7781 9.7781 10.1723 10.1723 11.0424 11.0424 11.2553 11.2553 14.0747 14.0747 14.3094 14.3094 15.2539 15.2539 16.0323 16.0323 k = 0.0000 1.0524 0.5141 ( 3700 PWs) bands (ev): -48.6101 -48.6101 -48.6073 -48.6073 -23.0089 -23.0089 -22.9960 -22.9960 -15.4206 -15.4206 -15.4126 -15.4126 -15.3434 -15.3434 -15.2889 -15.2889 3.1738 3.1738 4.1748 4.1748 4.3862 4.3862 6.4086 6.4086 7.6072 7.6072 8.7113 8.7113 9.2575 9.2575 9.4943 9.4943 9.7084 9.7084 10.1404 10.1404 11.0225 11.0225 11.1809 11.1809 14.1352 14.1352 14.3297 14.3297 15.2744 15.2744 16.0140 16.0140 k = 0.0000 1.0524 0.5375 ( 3694 PWs) bands (ev): -48.6099 -48.6099 -48.6072 -48.6072 -23.0093 -23.0093 -22.9967 -22.9967 -15.4207 -15.4207 -15.4131 -15.4131 -15.3451 -15.3451 -15.2920 -15.2920 3.2142 3.2142 4.2259 4.2259 4.4403 4.4403 6.3414 6.3414 7.6425 7.6425 8.6665 8.6665 9.1770 9.1770 9.4614 9.4614 9.6611 9.6611 10.1094 10.1094 11.0025 11.0025 11.1093 11.1093 14.1932 14.1932 14.3558 14.3558 15.2931 15.2931 15.9818 15.9818 k = 0.0000 1.0524 0.5608 ( 3700 PWs) bands (ev): -48.6097 -48.6097 -48.6071 -48.6071 -23.0096 -23.0096 -22.9977 -22.9977 -15.4209 -15.4209 -15.4137 -15.4137 -15.3466 -15.3466 -15.2951 -15.2951 3.2564 3.2564 4.2781 4.2781 4.4962 4.4962 6.2704 6.2704 7.6810 7.6810 8.6022 8.6022 9.0841 9.0841 9.4446 9.4446 9.6332 9.6332 10.0793 10.0793 10.9817 10.9817 11.0413 11.0413 14.2473 14.2473 14.3889 14.3889 15.3105 15.3105 15.9380 15.9380 k = 0.0000 1.0524 0.5842 ( 3696 PWs) bands (ev): -48.6096 -48.6096 -48.6071 -48.6071 -23.0099 -23.0099 -22.9984 -22.9984 -15.4213 -15.4213 -15.4144 -15.4144 -15.3479 -15.3479 -15.2980 -15.2980 3.3002 3.3002 4.3314 4.3314 4.5540 4.5540 6.1969 6.1969 7.7210 7.7210 8.5225 8.5225 8.9839 8.9839 9.4395 9.4395 9.6203 9.6203 10.0506 10.0506 10.9551 10.9551 10.9823 10.9823 14.2972 14.2972 14.4295 14.4295 15.3277 15.3277 15.8853 15.8853 k = 0.0000 1.0524 0.6076 ( 3696 PWs) bands (ev): -48.6094 -48.6094 -48.6070 -48.6070 -23.0102 -23.0102 -22.9992 -22.9992 -15.4218 -15.4218 -15.4151 -15.4151 -15.3491 -15.3491 -15.3010 -15.3010 3.3457 3.3457 4.3853 4.3853 4.6135 4.6135 6.1217 6.1217 7.7607 7.7607 8.4321 8.4321 8.8819 8.8819 9.4409 9.4409 9.6181 9.6181 10.0239 10.0239 10.9040 10.9040 10.9511 10.9511 14.3436 14.3436 14.4765 14.4765 15.3455 15.3455 15.8262 15.8262 k = 0.0000 1.0524 0.6309 ( 3694 PWs) bands (ev): -48.6092 -48.6092 -48.6070 -48.6070 -23.0104 -23.0104 -23.0000 -23.0000 -15.4223 -15.4223 -15.4159 -15.4159 -15.3500 -15.3500 -15.3038 -15.3038 3.3929 3.3929 4.4395 4.4395 4.6746 4.6746 6.0458 6.0458 7.7976 7.7976 8.3347 8.3347 8.7826 8.7826 9.4452 9.4452 9.6223 9.6223 10.0004 10.0004 10.8459 10.8459 10.9308 10.9308 14.3886 14.3886 14.5275 14.5275 15.3647 15.3647 15.7630 15.7630 k = 0.0000 1.0524 0.6543 ( 3698 PWs) bands (ev): -48.6091 -48.6091 -48.6069 -48.6069 -23.0107 -23.0107 -23.0009 -23.0009 -15.4230 -15.4230 -15.4168 -15.4168 -15.3507 -15.3507 -15.3066 -15.3066 3.4417 3.4417 4.4935 4.4935 4.7372 4.7372 5.9701 5.9701 7.8282 7.8282 8.2331 8.2331 8.6909 8.6909 9.4503 9.4503 9.6286 9.6286 9.9814 9.9814 10.7902 10.7902 10.9121 10.9121 14.4343 14.4343 14.5797 14.5797 15.3864 15.3864 15.6977 15.6977 k = 0.0000 1.0524 0.6777 ( 3700 PWs) bands (ev): -48.6089 -48.6089 -48.6069 -48.6069 -23.0109 -23.0109 -23.0017 -23.0017 -15.4238 -15.4238 -15.4178 -15.4178 -15.3511 -15.3511 -15.3093 -15.3093 3.4921 3.4921 4.5467 4.5467 4.8010 4.8010 5.8956 5.8956 7.8479 7.8479 8.1295 8.1295 8.6122 8.6122 9.4555 9.4555 9.6328 9.6328 9.9682 9.9682 10.7384 10.7384 10.8943 10.8943 14.4821 14.4821 14.6310 14.6310 15.4112 15.4112 15.6324 15.6324 k = 0.0000 1.0524 0.7010 ( 3698 PWs) bands (ev): -48.6088 -48.6088 -48.6069 -48.6069 -23.0112 -23.0112 -23.0024 -23.0024 -15.4245 -15.4245 -15.4189 -15.4189 -15.3514 -15.3514 -15.3119 -15.3119 3.5440 3.5440 4.5980 4.5980 4.8659 4.8659 5.8233 5.8233 7.8506 7.8506 8.0256 8.0256 8.5527 8.5527 9.4607 9.4607 9.6316 9.6316 9.9615 9.9615 10.6913 10.6913 10.8771 10.8771 14.5328 14.5328 14.6798 14.6798 15.4383 15.4383 15.5702 15.5702 k = 0.0000 1.0524 0.7244 ( 3694 PWs) bands (ev): -48.6086 -48.6086 -48.6068 -48.6068 -23.0114 -23.0114 -23.0031 -23.0031 -15.4253 -15.4253 -15.4200 -15.4200 -15.3514 -15.3514 -15.3143 -15.3143 3.5975 3.5975 4.6465 4.6465 4.9316 4.9316 5.7546 5.7546 7.8309 7.8309 7.9230 7.9230 8.5177 8.5177 9.4656 9.4656 9.6237 9.6237 9.9606 9.9606 10.6498 10.6498 10.8605 10.8605 14.5863 14.5863 14.7253 14.7253 15.4552 15.4552 15.5257 15.5257 k = 0.0000 1.0524 0.7478 ( 3692 PWs) bands (ev): -48.6085 -48.6085 -48.6068 -48.6068 -23.0115 -23.0115 -23.0038 -23.0038 -15.4261 -15.4261 -15.4211 -15.4211 -15.3512 -15.3512 -15.3168 -15.3168 3.6526 3.6526 4.6904 4.6904 4.9979 4.9979 5.6909 5.6909 7.7845 7.7845 7.8258 7.8258 8.5086 8.5086 9.4695 9.4695 9.6102 9.6102 9.9630 9.9630 10.6146 10.6146 10.8444 10.8444 14.6420 14.6420 14.7678 14.7678 15.4212 15.4212 15.5411 15.5411 k = 0.0000 1.0524 0.7711 ( 3692 PWs) bands (ev): -48.6083 -48.6083 -48.6068 -48.6068 -23.0116 -23.0116 -23.0046 -23.0046 -15.4269 -15.4269 -15.4222 -15.4222 -15.3509 -15.3509 -15.3191 -15.3191 3.7090 3.7090 4.7277 4.7277 5.0643 5.0643 5.6344 5.6344 7.7064 7.7064 7.7435 7.7435 8.5218 8.5218 9.4707 9.4707 9.5943 9.5943 9.9656 9.9656 10.5869 10.5869 10.8287 10.8287 14.6976 14.6976 14.8091 14.8091 15.3674 15.3674 15.5867 15.5867 k = 0.0000 1.0524 0.7945 ( 3690 PWs) bands (ev): -48.6082 -48.6082 -48.6068 -48.6068 -23.0117 -23.0117 -23.0052 -23.0052 -15.4276 -15.4276 -15.4233 -15.4233 -15.3504 -15.3504 -15.3213 -15.3213 3.7669 3.7669 4.7558 4.7558 5.1304 5.1304 5.5873 5.5873 7.6136 7.6136 7.6664 7.6664 8.5514 8.5514 9.4658 9.4658 9.5807 9.5807 9.9654 9.9654 10.5672 10.5672 10.8135 10.8135 14.7480 14.7480 14.8541 14.8541 15.3143 15.3143 15.6426 15.6426 k = 0.0000 1.0524 0.8179 ( 3688 PWs) bands (ev): -48.6080 -48.6080 -48.6068 -48.6068 -23.0117 -23.0117 -23.0059 -23.0059 -15.4284 -15.4284 -15.4244 -15.4244 -15.3497 -15.3497 -15.3235 -15.3235 3.8262 3.8262 4.7719 4.7719 5.1958 5.1958 5.5521 5.5521 7.5215 7.5215 7.5855 7.5855 8.5920 8.5920 9.4512 9.4512 9.5746 9.5746 9.9603 9.9603 10.5559 10.5559 10.7986 10.7986 14.7876 14.7876 14.9080 14.9080 15.2661 15.2661 15.7056 15.7056 k = 0.0000 1.0524 0.8412 ( 3688 PWs) bands (ev): -48.6079 -48.6079 -48.6068 -48.6068 -23.0117 -23.0117 -23.0065 -23.0065 -15.4290 -15.4290 -15.4255 -15.4255 -15.3490 -15.3490 -15.3255 -15.3255 3.8867 3.8867 4.7737 4.7737 5.2596 5.2596 5.5306 5.5306 7.4334 7.4334 7.5029 7.5029 8.6395 8.6395 9.4262 9.4262 9.5774 9.5774 9.9495 9.9495 10.5526 10.5526 10.7840 10.7840 14.8156 14.8156 14.9693 14.9693 15.2266 15.2266 15.7743 15.7743 k = 0.0000 1.0524 0.8646 ( 3688 PWs) bands (ev): -48.6078 -48.6078 -48.6068 -48.6068 -23.0117 -23.0117 -23.0071 -23.0071 -15.4297 -15.4297 -15.4265 -15.4265 -15.3481 -15.3481 -15.3275 -15.3275 3.9485 3.9485 4.7603 4.7603 5.3211 5.3211 5.5230 5.5230 7.3510 7.3510 7.4213 7.4213 8.6914 8.6914 9.3935 9.3935 9.5871 9.5871 9.9329 9.9329 10.5561 10.5561 10.7696 10.7696 14.8356 14.8356 15.0250 15.0250 15.2066 15.2066 15.8473 15.8473 k = 0.0000 1.0524 0.8880 ( 3686 PWs) bands (ev): -48.6076 -48.6076 -48.6068 -48.6068 -23.0116 -23.0116 -23.0077 -23.0077 -15.4301 -15.4301 -15.4275 -15.4275 -15.3471 -15.3471 -15.3294 -15.3294 4.0114 4.0114 4.7326 4.7326 5.3794 5.3794 5.5275 5.5275 7.2755 7.2755 7.3430 7.3430 8.7457 8.7457 9.3559 9.3559 9.6015 9.6015 9.9115 9.9115 10.5650 10.5650 10.7551 10.7551 14.8510 14.8510 15.0486 15.0486 15.2300 15.2300 15.9230 15.9230 k = 0.0000 1.0524 0.9113 ( 3692 PWs) bands (ev): -48.6075 -48.6075 -48.6069 -48.6069 -23.0116 -23.0116 -23.0082 -23.0082 -15.4306 -15.4306 -15.4284 -15.4284 -15.3461 -15.3461 -15.3313 -15.3313 4.0752 4.0752 4.6929 4.6929 5.4332 5.4332 5.5406 5.5406 7.2086 7.2086 7.2703 7.2703 8.8013 8.8013 9.3147 9.3147 9.6193 9.6193 9.8863 9.8863 10.5778 10.5778 10.7406 10.7406 14.8637 14.8637 15.0375 15.0375 15.2981 15.2981 15.9989 15.9989 k = 0.0000 1.0524 0.9347 ( 3694 PWs) bands (ev): -48.6074 -48.6074 -48.6069 -48.6069 -23.0115 -23.0115 -23.0087 -23.0087 -15.4309 -15.4309 -15.4292 -15.4292 -15.3449 -15.3449 -15.3330 -15.3330 4.1399 4.1399 4.6442 4.6442 5.4814 5.4814 5.5578 5.5578 7.1519 7.1519 7.2051 7.2051 8.8574 8.8574 9.2709 9.2709 9.6397 9.6397 9.8587 9.8587 10.5932 10.5932 10.7258 10.7258 14.8753 14.8753 15.0145 15.0145 15.3871 15.3871 16.0670 16.0670 k = 0.0000 1.0524 0.9581 ( 3692 PWs) bands (ev): -48.6073 -48.6073 -48.6069 -48.6069 -23.0113 -23.0113 -23.0092 -23.0092 -15.4312 -15.4312 -15.4298 -15.4298 -15.3436 -15.3436 -15.3347 -15.3347 4.2052 4.2052 4.5889 4.5889 5.5226 5.5226 5.5750 5.5750 7.1072 7.1072 7.1495 7.1495 8.9132 8.9132 9.2249 9.2249 9.6624 9.6624 9.8296 9.8296 10.6100 10.6100 10.7106 10.7106 14.8869 14.8869 14.9901 14.9901 15.4855 15.4855 16.0778 16.0778 k = 0.0000 1.0524 0.9815 ( 3692 PWs) bands (ev): -48.6073 -48.6073 -48.6070 -48.6070 -23.0110 -23.0110 -23.0097 -23.0097 -15.4313 -15.4313 -15.4304 -15.4304 -15.3423 -15.3423 -15.3363 -15.3363 4.2709 4.2709 4.5292 4.5292 5.5554 5.5554 5.5882 5.5882 7.0760 7.0760 7.1056 7.1056 8.9685 8.9685 9.1768 9.1768 9.6871 9.6871 9.7999 9.7999 10.6274 10.6274 10.6950 10.6950 14.8992 14.8992 14.9672 14.9672 15.5890 15.5890 16.0034 16.0034 k = 0.0000 1.0524 1.0048 ( 3694 PWs) bands (ev): -48.6072 -48.6072 -48.6070 -48.6070 -23.0108 -23.0108 -23.0101 -23.0101 -15.4312 -15.4312 -15.4308 -15.4308 -15.3409 -15.3409 -15.3379 -15.3379 4.3367 4.3367 4.4665 4.4665 5.5786 5.5786 5.5945 5.5945 7.0599 7.0599 7.0751 7.0751 9.0226 9.0226 9.1270 9.1270 9.7135 9.7135 9.7703 9.7703 10.6449 10.6449 10.6788 10.6788 14.9129 14.9129 14.9466 14.9466 15.6952 15.6952 15.9062 15.9062 k = 0.0000 1.0524 1.0282 ( 3696 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0105 -23.0105 -23.0105 -23.0105 -15.4311 -15.4311 -15.4311 -15.4311 -15.3395 -15.3395 -15.3395 -15.3395 4.4021 4.4021 4.4021 4.4021 5.5917 5.5917 5.5917 5.5917 7.0596 7.0596 7.0596 7.0596 9.0756 9.0756 9.0756 9.0756 9.7414 9.7414 9.7414 9.7414 10.6621 10.6621 10.6621 10.6621 14.9286 14.9286 14.9286 14.9286 15.8019 15.8019 15.8019 15.8019 k = 0.0000 1.0524 1.0282 ( 3696 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0105 -23.0105 -23.0105 -23.0105 -15.4311 -15.4311 -15.4311 -15.4311 -15.3395 -15.3395 -15.3395 -15.3395 4.4021 4.4021 4.4021 4.4021 5.5917 5.5917 5.5917 5.5917 7.0596 7.0596 7.0596 7.0596 9.0756 9.0756 9.0756 9.0756 9.7414 9.7414 9.7414 9.7414 10.6621 10.6621 10.6621 10.6621 14.9286 14.9286 14.9286 14.9286 15.8019 15.8019 15.8019 15.8019 k = 0.0222 1.0524 1.0282 ( 3694 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0105 -23.0105 -23.0104 -23.0104 -15.4311 -15.4311 -15.4310 -15.4310 -15.3395 -15.3395 -15.3394 -15.3394 4.4009 4.4009 4.4033 4.4033 5.5906 5.5906 5.5923 5.5923 7.0564 7.0564 7.0621 7.0621 9.0741 9.0741 9.0791 9.0791 9.7315 9.7315 9.7512 9.7512 10.6595 10.6595 10.6651 10.6651 14.9173 14.9173 14.9251 14.9251 15.8055 15.8055 15.8162 15.8162 k = 0.0443 1.0524 1.0282 ( 3694 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0105 -23.0105 -23.0104 -23.0104 -15.4312 -15.4312 -15.4310 -15.4310 -15.3396 -15.3396 -15.3393 -15.3393 4.3997 4.3997 4.4046 4.4046 5.5891 5.5891 5.5926 5.5926 7.0527 7.0527 7.0638 7.0638 9.0747 9.0747 9.0846 9.0846 9.7217 9.7217 9.7608 9.7608 10.6573 10.6573 10.6685 10.6685 14.8928 14.8928 14.9077 14.9077 15.8257 15.8257 15.8469 15.8469 k = 0.0665 1.0524 1.0282 ( 3690 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0104 -23.0104 -23.0104 -23.0104 -15.4312 -15.4312 -15.4309 -15.4309 -15.3396 -15.3396 -15.3392 -15.3392 4.3985 4.3985 4.4058 4.4058 5.5872 5.5872 5.5925 5.5925 7.0486 7.0486 7.0648 7.0648 9.0772 9.0772 9.0921 9.0921 9.7122 9.7122 9.7701 9.7701 10.6555 10.6555 10.6721 10.6721 14.8583 14.8583 14.8791 14.8791 15.8589 15.8589 15.8905 15.8905 k = 0.0887 1.0524 1.0282 ( 3686 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0104 -23.0104 -23.0104 -23.0104 -15.4312 -15.4312 -15.4308 -15.4308 -15.3397 -15.3397 -15.3391 -15.3391 4.3974 4.3974 4.4069 4.4069 5.5849 5.5849 5.5920 5.5920 7.0444 7.0444 7.0652 7.0652 9.0814 9.0814 9.1013 9.1013 9.7029 9.7029 9.7790 9.7790 10.6541 10.6541 10.6759 10.6759 14.8173 14.8173 14.8429 14.8429 15.9004 15.9004 15.9425 15.9425 k = 0.1108 1.0524 1.0282 ( 3692 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0104 -23.0104 -23.0104 -23.0104 -15.4312 -15.4312 -15.4307 -15.4307 -15.3397 -15.3397 -15.3391 -15.3391 4.3964 4.3964 4.4080 4.4080 5.5821 5.5821 5.5910 5.5910 7.0402 7.0402 7.0651 7.0651 9.0872 9.0872 9.1120 9.1120 9.6942 9.6942 9.7874 9.7874 10.6530 10.6530 10.6796 10.6796 14.7732 14.7732 14.8027 14.8027 15.9455 15.9455 15.9982 15.9982 k = 0.1330 1.0524 1.0282 ( 3690 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0104 -23.0104 -23.0104 -23.0104 -15.4312 -15.4312 -15.4306 -15.4306 -15.3398 -15.3398 -15.3390 -15.3390 4.3953 4.3953 4.4090 4.4090 5.5787 5.5787 5.5896 5.5896 7.0363 7.0363 7.0646 7.0646 9.0943 9.0943 9.1239 9.1239 9.6861 9.6861 9.7951 9.7951 10.6521 10.6521 10.6832 10.6832 14.7289 14.7289 14.7613 14.7613 15.9900 15.9900 16.0532 16.0532 k = 0.1551 1.0524 1.0282 ( 3688 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0104 -23.0104 -23.0103 -23.0103 -15.4312 -15.4312 -15.4305 -15.4305 -15.3398 -15.3398 -15.3389 -15.3389 4.3944 4.3944 4.4099 4.4099 5.5748 5.5748 5.5875 5.5875 7.0332 7.0332 7.0640 7.0640 9.1024 9.1024 9.1366 9.1366 9.6790 9.6790 9.8022 9.8022 10.6511 10.6511 10.6865 10.6865 14.6863 14.6863 14.7210 14.7210 16.0309 16.0309 16.1036 16.1036 k = 0.1773 1.0524 1.0282 ( 3688 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0104 -23.0104 -23.0103 -23.0103 -15.4312 -15.4312 -15.4304 -15.4304 -15.3398 -15.3398 -15.3389 -15.3389 4.3935 4.3935 4.4106 4.4106 5.5702 5.5702 5.5849 5.5849 7.0310 7.0310 7.0635 7.0635 9.1112 9.1112 9.1496 9.1496 9.6730 9.6730 9.8084 9.8084 10.6501 10.6501 10.6893 10.6893 14.6471 14.6471 14.6836 14.6836 16.0664 16.0664 16.1471 16.1471 k = 0.1995 1.0524 1.0282 ( 3686 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0103 -23.0103 -23.0103 -23.0103 -15.4311 -15.4311 -15.4304 -15.4304 -15.3398 -15.3398 -15.3388 -15.3388 4.3927 4.3927 4.4112 4.4112 5.5649 5.5649 5.5817 5.5817 7.0301 7.0301 7.0633 7.0633 9.1205 9.1205 9.1622 9.1622 9.6684 9.6684 9.8137 9.8137 10.6488 10.6488 10.6913 10.6913 14.6127 14.6127 14.6503 14.6503 16.0956 16.0956 16.1829 16.1829 k = 0.2216 1.0524 1.0282 ( 3686 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0103 -23.0103 -23.0102 -23.0102 -15.4310 -15.4310 -15.4303 -15.4303 -15.3398 -15.3398 -15.3388 -15.3388 4.3918 4.3918 4.4115 4.4115 5.5590 5.5590 5.5778 5.5778 7.0308 7.0308 7.0638 7.0638 9.1300 9.1300 9.1740 9.1740 9.6655 9.6655 9.8179 9.8179 10.6472 10.6472 10.6926 10.6926 14.5841 14.5841 14.6222 14.6222 16.1183 16.1183 16.2115 16.2115 k = 0.2438 1.0524 1.0282 ( 3690 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0103 -23.0103 -23.0102 -23.0102 -15.4309 -15.4309 -15.4302 -15.4302 -15.3399 -15.3399 -15.3388 -15.3388 4.3910 4.3910 4.4116 4.4116 5.5524 5.5524 5.5732 5.5732 7.0334 7.0334 7.0653 7.0653 9.1393 9.1393 9.1844 9.1844 9.6646 9.6646 9.8209 9.8209 10.6453 10.6453 10.6930 10.6930 14.5619 14.5619 14.6000 14.6000 16.1343 16.1343 16.2338 16.2338 k = 0.2660 1.0524 1.0282 ( 3692 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0103 -23.0103 -23.0102 -23.0102 -15.4308 -15.4308 -15.4301 -15.4301 -15.3399 -15.3399 -15.3388 -15.3388 4.3902 4.3902 4.4115 4.4115 5.5450 5.5450 5.5679 5.5679 7.0380 7.0380 7.0679 7.0679 9.1482 9.1482 9.1926 9.1926 9.6658 9.6658 9.8227 9.8227 10.6429 10.6429 10.6925 10.6925 14.5468 14.5468 14.5843 14.5843 16.1432 16.1432 16.2501 16.2501 k = 0.2660 1.0524 1.0282 ( 3692 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0103 -23.0103 -23.0102 -23.0102 -15.4308 -15.4308 -15.4301 -15.4301 -15.3399 -15.3399 -15.3388 -15.3388 4.3902 4.3902 4.4115 4.4115 5.5450 5.5450 5.5679 5.5679 7.0380 7.0380 7.0679 7.0679 9.1482 9.1482 9.1926 9.1926 9.6658 9.6658 9.8227 9.8227 10.6429 10.6429 10.6925 10.6925 14.5468 14.5468 14.5843 14.5843 16.1432 16.1432 16.2501 16.2501 k = 0.2602 1.0296 1.0282 ( 3692 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0104 -23.0104 -23.0103 -23.0103 -15.4313 -15.4313 -15.4304 -15.4304 -15.3399 -15.3399 -15.3388 -15.3388 4.3931 4.3931 4.4120 4.4120 5.5729 5.5729 5.5866 5.5866 7.0206 7.0206 7.0619 7.0619 9.1112 9.1112 9.1619 9.1619 9.6562 9.6562 9.8186 9.8186 10.6533 10.6533 10.6964 10.6964 14.5977 14.5977 14.6392 14.6392 16.1136 16.1136 16.1854 16.1854 k = 0.2544 1.0067 1.0282 ( 3696 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0105 -23.0105 -23.0104 -23.0104 -15.4315 -15.4315 -15.4305 -15.4305 -15.3400 -15.3400 -15.3389 -15.3389 4.3946 4.3946 4.4111 4.4111 5.5892 5.5892 5.5932 5.5932 7.0191 7.0191 7.0725 7.0725 9.0749 9.0749 9.1305 9.1305 9.6481 9.6481 9.8154 9.8154 10.6627 10.6627 10.6994 10.6994 14.6490 14.6490 14.6949 14.6949 16.0698 16.0698 16.1107 16.1107 k = 0.2486 0.9838 1.0282 ( 3692 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0104 -23.0104 -23.0104 -23.0104 -15.4316 -15.4316 -15.4305 -15.4305 -15.3401 -15.3401 -15.3389 -15.3389 4.3946 4.3946 4.4086 4.4086 5.5882 5.5882 5.5935 5.5935 7.0337 7.0337 7.0993 7.0993 9.0391 9.0391 9.0986 9.0986 9.6417 9.6417 9.8131 9.8131 10.6715 10.6715 10.7021 10.7021 14.6968 14.6968 14.7478 14.7478 16.0173 16.0173 16.0346 16.0346 k = 0.2428 0.9609 1.0282 ( 3694 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0104 -23.0104 -23.0104 -23.0104 -15.4315 -15.4315 -15.4302 -15.4302 -15.3401 -15.3401 -15.3389 -15.3389 4.3929 4.3929 4.4044 4.4044 5.5726 5.5726 5.5865 5.5865 7.0638 7.0638 7.1411 7.1411 9.0041 9.0041 9.0660 9.0660 9.6369 9.6369 9.8115 9.8115 10.6803 10.6803 10.7053 10.7053 14.7367 14.7367 14.7930 14.7930 15.9644 15.9644 15.9657 15.9657 k = 0.2371 0.9380 1.0282 ( 3690 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0104 -23.0104 -23.0103 -23.0103 -15.4312 -15.4312 -15.4298 -15.4298 -15.3401 -15.3401 -15.3389 -15.3389 4.3892 4.3892 4.3985 4.3985 5.5484 5.5484 5.5695 5.5695 7.1080 7.1080 7.1962 7.1962 8.9699 8.9699 9.0330 9.0330 9.6337 9.6337 9.8107 9.8107 10.6898 10.6898 10.7093 10.7093 14.7628 14.7628 14.8246 14.8246 15.9122 15.9122 15.9208 15.9208 k = 0.2313 0.9152 1.0282 ( 3694 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0103 -23.0103 -23.0102 -23.0102 -15.4308 -15.4308 -15.4292 -15.4292 -15.3402 -15.3402 -15.3390 -15.3390 4.3834 4.3834 4.3905 4.3905 5.5174 5.5174 5.5442 5.5442 7.1645 7.1645 7.2625 7.2625 8.9368 8.9368 8.9995 8.9995 9.6322 9.6322 9.8106 9.8106 10.7003 10.7003 10.7148 10.7148 14.7695 14.7695 14.8366 14.8366 15.8812 15.8812 15.8952 15.8952 k = 0.2255 0.8923 1.0282 ( 3694 PWs) bands (ev): -48.6072 -48.6072 -48.6072 -48.6072 -23.0102 -23.0102 -23.0100 -23.0100 -15.4301 -15.4301 -15.4285 -15.4285 -15.3402 -15.3402 -15.3390 -15.3390 4.3753 4.3753 4.3804 4.3804 5.4817 5.4817 5.5127 5.5127 7.2311 7.2311 7.3382 7.3382 8.9049 8.9049 8.9660 8.9660 9.6323 9.6323 9.8113 9.8113 10.7125 10.7125 10.7223 10.7223 14.7532 14.7532 14.8245 14.8245 15.8770 15.8770 15.8937 15.8937 k = 0.2197 0.8694 1.0282 ( 3690 PWs) bands (ev): -48.6072 -48.6072 -48.6072 -48.6072 -23.0100 -23.0100 -23.0098 -23.0098 -15.4292 -15.4292 -15.4275 -15.4275 -15.3402 -15.3402 -15.3390 -15.3390 4.3647 4.3647 4.3680 4.3680 5.4429 5.4429 5.4768 5.4768 7.3058 7.3058 7.4212 7.4212 8.8746 8.8746 8.9326 8.9326 9.6343 9.6343 9.8128 9.8128 10.7268 10.7268 10.7321 10.7321 14.7139 14.7139 14.7879 14.7879 15.8996 15.8996 15.9177 15.9177 k = 0.2139 0.8465 1.0282 ( 3690 PWs) bands (ev): -48.6072 -48.6072 -48.6072 -48.6072 -23.0097 -23.0097 -23.0095 -23.0095 -15.4283 -15.4283 -15.4264 -15.4264 -15.3402 -15.3402 -15.3390 -15.3390 4.3513 4.3513 4.3532 4.3532 5.4025 5.4025 5.4381 5.4381 7.3866 7.3866 7.5097 7.5097 8.8464 8.8464 8.8999 8.8999 9.6380 9.6380 9.8151 9.8151 10.7434 10.7434 10.7446 10.7446 14.6550 14.6550 14.7304 14.7304 15.9452 15.9452 15.9638 15.9638 k = 0.2081 0.8236 1.0282 ( 3686 PWs) bands (ev): -48.6073 -48.6073 -48.6073 -48.6073 -23.0095 -23.0095 -23.0092 -23.0092 -15.4271 -15.4271 -15.4251 -15.4251 -15.3402 -15.3402 -15.3390 -15.3390 4.3351 4.3351 4.3359 4.3359 5.3618 5.3618 5.3979 5.3979 7.4714 7.4714 7.6019 7.6019 8.8209 8.8209 8.8685 8.8685 9.6437 9.6437 9.8185 9.8185 10.7600 10.7600 10.7627 10.7627 14.5815 14.5815 14.6572 14.6572 16.0083 16.0083 16.0263 16.0263 k = 0.2024 0.8008 1.0282 ( 3690 PWs) bands (ev): -48.6073 -48.6073 -48.6073 -48.6073 -23.0092 -23.0092 -23.0090 -23.0090 -15.4259 -15.4259 -15.4237 -15.4237 -15.3402 -15.3402 -15.3389 -15.3389 4.3158 4.3158 4.3159 4.3159 5.3218 5.3218 5.3573 5.3573 7.5583 7.5583 7.6960 7.6960 8.7989 8.7989 8.8396 8.8396 9.6515 9.6515 9.8231 9.8231 10.7786 10.7786 10.7849 10.7849 14.4984 14.4984 14.5735 14.5735 16.0828 16.0828 16.0993 16.0993 k = 0.1966 0.7779 1.0282 ( 3694 PWs) bands (ev): -48.6074 -48.6074 -48.6074 -48.6074 -23.0089 -23.0089 -23.0086 -23.0086 -15.4245 -15.4245 -15.4222 -15.4222 -15.3401 -15.3401 -15.3388 -15.3388 4.2933 4.2933 4.2936 4.2936 5.2831 5.2831 5.3173 5.3173 7.6453 7.6453 7.7899 7.7899 8.7817 8.7817 8.8144 8.8144 9.6613 9.6613 9.8289 9.8289 10.8004 10.8004 10.8101 10.8101 14.4094 14.4094 14.4834 14.4834 16.1637 16.1637 16.1773 16.1773 k = 0.1908 0.7550 1.0282 ( 3694 PWs) bands (ev): -48.6075 -48.6075 -48.6075 -48.6075 -23.0086 -23.0086 -23.0083 -23.0083 -15.4230 -15.4230 -15.4206 -15.4206 -15.3399 -15.3399 -15.3387 -15.3387 4.2681 4.2681 4.2683 4.2683 5.2464 5.2464 5.2783 5.2783 7.7298 7.7298 7.8807 7.8807 8.7710 8.7710 8.7953 8.7953 9.6733 9.6733 9.8363 9.8363 10.8256 10.8256 10.8386 10.8386 14.3174 14.3174 14.3899 14.3899 16.2460 16.2460 16.2553 16.2553 k = 0.1850 0.7321 1.0282 ( 3686 PWs) bands (ev): -48.6075 -48.6075 -48.6075 -48.6075 -23.0081 -23.0081 -23.0078 -23.0078 -15.4213 -15.4213 -15.4189 -15.4189 -15.3397 -15.3397 -15.3385 -15.3385 4.2400 4.2400 4.2403 4.2403 5.2118 5.2118 5.2409 5.2409 7.8093 7.8093 7.9651 7.9651 8.7689 8.7689 8.7853 8.7853 9.6877 9.6877 9.8453 9.8453 10.8542 10.8542 10.8702 10.8702 14.2244 14.2244 14.2953 14.2953 16.3254 16.3254 16.3289 16.3289 k = 0.1792 0.7093 1.0282 ( 3674 PWs) bands (ev): -48.6076 -48.6076 -48.6076 -48.6076 -23.0076 -23.0076 -23.0073 -23.0073 -15.4196 -15.4196 -15.4171 -15.4171 -15.3394 -15.3394 -15.3382 -15.3382 4.2090 4.2090 4.2100 4.2100 5.1797 5.1797 5.2054 5.2054 7.8804 7.8804 8.0384 8.0384 8.7782 8.7782 8.7886 8.7886 9.7045 9.7045 9.8562 9.8562 10.8861 10.8861 10.9051 10.9051 14.1320 14.1320 14.2011 14.2011 16.3939 16.3939 16.3972 16.3972 k = 0.1735 0.6864 1.0282 ( 3672 PWs) bands (ev): -48.6077 -48.6077 -48.6077 -48.6077 -23.0072 -23.0072 -23.0068 -23.0068 -15.4179 -15.4179 -15.4153 -15.4153 -15.3390 -15.3390 -15.3378 -15.3378 4.1755 4.1755 4.1775 4.1775 5.1499 5.1499 5.1719 5.1719 7.9400 7.9400 8.0959 8.0959 8.8014 8.8014 8.8097 8.8097 9.7239 9.7239 9.8693 9.8693 10.9213 10.9213 10.9432 10.9432 14.0411 14.0411 14.1084 14.1084 16.4465 16.4465 16.4573 16.4573 k = 0.1677 0.6635 1.0282 ( 3672 PWs) bands (ev): -48.6078 -48.6078 -48.6078 -48.6078 -23.0067 -23.0067 -23.0063 -23.0063 -15.4161 -15.4161 -15.4136 -15.4136 -15.3386 -15.3386 -15.3374 -15.3374 4.1398 4.1398 4.1430 4.1430 5.1226 5.1226 5.1405 5.1405 7.9856 7.9856 8.1341 8.1341 8.8408 8.8408 8.8518 8.8518 9.7461 9.7461 9.8846 9.8846 10.9598 10.9598 10.9844 10.9844 13.9526 13.9526 14.0181 14.0181 16.4844 16.4844 16.5023 16.5023 k = 0.1619 0.6406 1.0282 ( 3676 PWs) bands (ev): -48.6079 -48.6079 -48.6079 -48.6079 -23.0063 -23.0063 -23.0059 -23.0059 -15.4144 -15.4144 -15.4118 -15.4118 -15.3380 -15.3380 -15.3369 -15.3369 4.1022 4.1022 4.1067 4.1067 5.0974 5.0974 5.1111 5.1111 8.0164 8.0164 8.1526 8.1526 8.8967 8.8967 8.9149 8.9149 9.7711 9.7711 9.9024 9.9024 11.0015 11.0015 11.0287 11.0287 13.8672 13.8672 13.9309 13.9309 16.5071 16.5071 16.5312 16.5312 k = 0.1561 0.6177 1.0282 ( 3676 PWs) bands (ev): -48.6080 -48.6080 -48.6080 -48.6080 -23.0058 -23.0058 -23.0053 -23.0053 -15.4127 -15.4127 -15.4101 -15.4101 -15.3373 -15.3373 -15.3363 -15.3363 4.0632 4.0632 4.0690 4.0690 5.0742 5.0742 5.0837 5.0837 8.0331 8.0331 8.1544 8.1544 8.9681 8.9681 8.9957 8.9957 9.7993 9.7993 9.9230 9.9230 11.0461 11.0461 11.0760 11.0760 13.7853 13.7853 13.8472 13.8472 16.5156 16.5156 16.5452 16.5452 k = 0.1503 0.5949 1.0282 ( 3680 PWs) bands (ev): -48.6081 -48.6081 -48.6081 -48.6081 -23.0053 -23.0053 -23.0048 -23.0048 -15.4110 -15.4110 -15.4084 -15.4084 -15.3365 -15.3365 -15.3355 -15.3355 4.0230 4.0230 4.0301 4.0301 5.0528 5.0528 5.0581 5.0581 8.0380 8.0380 8.1438 8.1438 9.0522 9.0522 9.0894 9.0894 9.8310 9.8310 9.9466 9.9466 11.0937 11.0937 11.1262 11.1262 13.7073 13.7073 13.7675 13.7675 16.5120 16.5120 16.5466 16.5466 k = 0.1445 0.5720 1.0282 ( 3688 PWs) bands (ev): -48.6082 -48.6082 -48.6082 -48.6082 -23.0048 -23.0048 -23.0044 -23.0044 -15.4094 -15.4094 -15.4069 -15.4069 -15.3356 -15.3356 -15.3346 -15.3346 3.9821 3.9821 3.9904 3.9904 5.0330 5.0330 5.0343 5.0343 8.0336 8.0336 8.1247 8.1247 9.1459 9.1459 9.1917 9.1917 9.8665 9.8665 9.9735 9.9735 11.1440 11.1440 11.1791 11.1791 13.6336 13.6336 13.6923 13.6923 16.4974 16.4974 16.5375 16.5375 k = 0.1388 0.5491 1.0282 ( 3692 PWs) bands (ev): -48.6083 -48.6083 -48.6083 -48.6083 -23.0043 -23.0043 -23.0038 -23.0038 -15.4079 -15.4079 -15.4054 -15.4054 -15.3345 -15.3345 -15.3336 -15.3336 3.9408 3.9408 3.9503 3.9503 5.0119 5.0119 5.0144 5.0144 8.0224 8.0224 8.1000 8.1000 9.2463 9.2463 9.2986 9.2986 9.9064 9.9064 10.0040 10.0040 11.1968 11.1968 11.2345 11.2345 13.5645 13.5645 13.6220 13.6220 16.4725 16.4725 16.5190 16.5190 k = 0.1330 0.5262 1.0282 ( 3696 PWs) bands (ev): -48.6084 -48.6084 -48.6084 -48.6084 -23.0038 -23.0038 -23.0033 -23.0033 -15.4065 -15.4065 -15.4040 -15.4040 -15.3333 -15.3333 -15.3324 -15.3324 3.8994 3.8994 3.9099 3.9099 4.9909 4.9909 4.9971 4.9971 8.0062 8.0062 8.0718 8.0718 9.3507 9.3507 9.4070 9.4070 9.9516 9.9516 10.0385 10.0385 11.2520 11.2520 11.2925 11.2925 13.5004 13.5004 13.5569 13.5569 16.4371 16.4371 16.4913 16.4913 k = 0.1272 0.5033 1.0282 ( 3696 PWs) bands (ev): -48.6085 -48.6085 -48.6085 -48.6085 -23.0032 -23.0032 -23.0028 -23.0028 -15.4052 -15.4052 -15.4028 -15.4028 -15.3319 -15.3319 -15.3311 -15.3311 3.8583 3.8583 3.8696 3.8696 4.9712 4.9712 4.9806 4.9806 7.9867 7.9867 8.0415 8.0415 9.4567 9.4567 9.5140 9.5140 10.0031 10.0031 10.0776 10.0776 11.3095 11.3095 11.3528 11.3528 13.4416 13.4416 13.4973 13.4973 16.3901 16.3901 16.4537 16.4537 k = 0.1214 0.4805 1.0282 ( 3692 PWs) bands (ev): -48.6086 -48.6086 -48.6086 -48.6086 -23.0026 -23.0026 -23.0022 -23.0022 -15.4040 -15.4040 -15.4017 -15.4017 -15.3303 -15.3303 -15.3296 -15.3296 3.8176 3.8176 3.8297 3.8297 4.9527 4.9527 4.9650 4.9650 7.9648 7.9648 8.0102 8.0102 9.5620 9.5620 9.6170 9.6170 10.0622 10.0622 10.1221 10.1221 11.3689 11.3689 11.4152 11.4152 13.3883 13.3883 13.4437 13.4437 16.3307 16.3307 16.4048 16.4048 k = 0.1156 0.4576 1.0282 ( 3692 PWs) bands (ev): -48.6087 -48.6087 -48.6087 -48.6087 -23.0021 -23.0021 -23.0016 -23.0016 -15.4029 -15.4029 -15.4007 -15.4007 -15.3286 -15.3286 -15.3280 -15.3280 3.7777 3.7777 3.7904 3.7904 4.9352 4.9352 4.9501 4.9501 7.9415 7.9415 7.9785 7.9785 9.6643 9.6643 9.7132 9.7132 10.1301 10.1301 10.1727 10.1727 11.4302 11.4302 11.4796 11.4796 13.3409 13.3409 13.3964 13.3964 16.2588 16.2588 16.3433 16.3433 k = 0.1099 0.4347 1.0282 ( 3692 PWs) bands (ev): -48.6088 -48.6088 -48.6088 -48.6088 -23.0015 -23.0015 -23.0011 -23.0011 -15.4020 -15.4020 -15.3999 -15.3999 -15.3268 -15.3268 -15.3263 -15.3263 3.7388 3.7388 3.7518 3.7518 4.9186 4.9186 4.9358 4.9358 7.9173 7.9173 7.9470 7.9470 9.7616 9.7616 9.8009 9.8009 10.2075 10.2075 10.2302 10.2302 11.4933 11.4933 11.5459 11.5459 13.2998 13.2998 13.3559 13.3559 16.1754 16.1754 16.2687 16.2687 k = 0.1041 0.4118 1.0282 ( 3692 PWs) bands (ev): -48.6089 -48.6089 -48.6089 -48.6089 -23.0010 -23.0010 -23.0005 -23.0005 -15.4012 -15.4012 -15.3992 -15.3992 -15.3249 -15.3249 -15.3245 -15.3245 3.7010 3.7010 3.7143 3.7143 4.9030 4.9030 4.9219 4.9219 7.8927 7.8927 7.9161 7.9161 9.8521 9.8521 9.8797 9.8797 10.2936 10.2936 10.2954 10.2954 11.5580 11.5580 11.6140 11.6140 13.2653 13.2653 13.3226 13.3226 16.0825 16.0825 16.1822 16.1822 k = 0.0983 0.3889 1.0282 ( 3692 PWs) bands (ev): -48.6090 -48.6090 -48.6090 -48.6090 -23.0004 -23.0004 -23.0000 -23.0000 -15.4005 -15.4005 -15.3986 -15.3986 -15.3229 -15.3229 -15.3226 -15.3226 3.6646 3.6646 3.6779 3.6779 4.8882 4.8882 4.9086 4.9086 7.8682 7.8682 7.8860 7.8860 9.9346 9.9346 9.9505 9.9505 10.3679 10.3679 10.3862 10.3862 11.6243 11.6243 11.6838 11.6838 13.2377 13.2377 13.2967 13.2967 15.9825 15.9825 16.0858 16.0858 k = 0.0925 0.3661 1.0282 ( 3688 PWs) bands (ev): -48.6091 -48.6091 -48.6091 -48.6091 -22.9999 -22.9999 -22.9995 -22.9995 -15.3999 -15.3999 -15.3982 -15.3982 -15.3208 -15.3208 -15.3207 -15.3207 3.6296 3.6296 3.6428 3.6428 4.8743 4.8743 4.8958 4.8958 7.8440 7.8440 7.8570 7.8570 10.0091 10.0091 10.0149 10.0149 10.4465 10.4465 10.4822 10.4822 11.6925 11.6925 11.7554 11.7554 13.2173 13.2173 13.2788 13.2788 15.8776 15.8776 15.9823 15.9823 k = 0.0867 0.3432 1.0282 ( 3690 PWs) bands (ev): -48.6092 -48.6092 -48.6092 -48.6092 -22.9994 -22.9994 -22.9990 -22.9990 -15.3994 -15.3994 -15.3978 -15.3978 -15.3188 -15.3188 -15.3187 -15.3187 3.5962 3.5962 3.6092 3.6092 4.8612 4.8612 4.8834 4.8834 7.8204 7.8204 7.8293 7.8293 10.0745 10.0745 10.0764 10.0764 10.5291 10.5291 10.5785 10.5785 11.7626 11.7626 11.8287 11.8287 13.2043 13.2043 13.2688 13.2688 15.7698 15.7698 15.8742 15.8742 k = 0.0809 0.3203 1.0282 ( 3686 PWs) bands (ev): -48.6093 -48.6093 -48.6093 -48.6093 -22.9989 -22.9989 -22.9985 -22.9985 -15.3990 -15.3990 -15.3975 -15.3975 -15.3167 -15.3167 -15.3167 -15.3167 3.5646 3.5646 3.5773 3.5773 4.8489 4.8489 4.8714 4.8714 7.7975 7.7975 7.8030 7.8030 10.1306 10.1306 10.1377 10.1377 10.6130 10.6130 10.6722 10.6722 11.8351 11.8351 11.9040 11.9040 13.1988 13.1988 13.2669 13.2669 15.6609 15.6609 15.7638 15.7638 k = 0.0752 0.2974 1.0282 ( 3690 PWs) bands (ev): -48.6093 -48.6093 -48.6093 -48.6093 -22.9984 -22.9984 -22.9981 -22.9981 -15.3986 -15.3986 -15.3974 -15.3974 -15.3148 -15.3148 -15.3147 -15.3147 3.5348 3.5348 3.5470 3.5470 4.8374 4.8374 4.8599 4.8599 7.7756 7.7756 7.7782 7.7782 10.1840 10.1840 10.1944 10.1944 10.6953 10.6953 10.7608 10.7608 11.9106 11.9106 11.9815 11.9815 13.2007 13.2007 13.2729 13.2729 15.5523 15.5523 15.6528 15.6528 k = 0.0694 0.2745 1.0282 ( 3698 PWs) bands (ev): -48.6094 -48.6094 -48.6094 -48.6094 -22.9980 -22.9980 -22.9977 -22.9977 -15.3984 -15.3984 -15.3973 -15.3973 -15.3129 -15.3129 -15.3128 -15.3128 3.5069 3.5069 3.5186 3.5186 4.8267 4.8267 4.8489 4.8489 7.7548 7.7548 7.7551 7.7551 10.2352 10.2352 10.2473 10.2473 10.7738 10.7738 10.8423 10.8423 11.9895 11.9895 12.0615 12.0615 13.2095 13.2095 13.2861 13.2861 15.4457 15.4457 15.5430 15.5430 k = 0.0636 0.2517 1.0282 ( 3698 PWs) bands (ev): -48.6095 -48.6095 -48.6095 -48.6095 -22.9976 -22.9976 -22.9973 -22.9973 -15.3983 -15.3983 -15.3972 -15.3972 -15.3110 -15.3110 -15.3108 -15.3108 3.4810 3.4810 3.4920 3.4920 4.8170 4.8170 4.8385 4.8385 7.7337 7.7337 7.7351 7.7351 10.2843 10.2843 10.2970 10.2970 10.8466 10.8466 10.9153 10.9153 12.0724 12.0724 12.1443 12.1443 13.2244 13.2244 13.3056 13.3056 15.3426 15.3426 15.4360 15.4360 k = 0.0578 0.2288 1.0282 ( 3702 PWs) bands (ev): -48.6096 -48.6096 -48.6096 -48.6096 -22.9973 -22.9973 -22.9970 -22.9970 -15.3982 -15.3982 -15.3972 -15.3972 -15.3092 -15.3092 -15.3091 -15.3091 3.4572 3.4572 3.4675 3.4675 4.8081 4.8081 4.8286 4.8286 7.7140 7.7140 7.7168 7.7168 10.3313 10.3313 10.3439 10.3439 10.9121 10.9121 10.9786 10.9786 12.1594 12.1594 12.2301 12.2301 13.2443 13.2443 13.3297 13.3297 15.2447 15.2447 15.3336 15.3336 k = 0.0520 0.2059 1.0282 ( 3702 PWs) bands (ev): -48.6097 -48.6097 -48.6097 -48.6097 -22.9969 -22.9969 -22.9966 -22.9966 -15.3981 -15.3981 -15.3972 -15.3972 -15.3075 -15.3075 -15.3074 -15.3074 3.4355 3.4355 3.4451 3.4451 4.8000 4.8000 4.8193 4.8193 7.6962 7.6962 7.6999 7.6999 10.3760 10.3760 10.3879 10.3879 10.9696 10.9696 11.0318 11.0318 12.2505 12.2505 12.3190 12.3190 13.2672 13.2672 13.3563 13.3563 15.1543 15.1543 15.2377 15.2377 k = 0.0463 0.1830 1.0282 ( 3702 PWs) bands (ev): -48.6097 -48.6097 -48.6097 -48.6097 -22.9966 -22.9966 -22.9963 -22.9963 -15.3980 -15.3980 -15.3973 -15.3973 -15.3060 -15.3060 -15.3058 -15.3058 3.4161 3.4161 3.4247 3.4247 4.7929 4.7929 4.8108 4.8108 7.6803 7.6803 7.6845 7.6845 10.4181 10.4181 10.4291 10.4291 11.0187 11.0187 11.0752 11.0752 12.3452 12.3452 12.4107 12.4107 13.2910 13.2910 13.3826 13.3826 15.0737 15.0737 15.1504 15.1504 k = 0.0405 0.1602 1.0282 ( 3698 PWs) bands (ev): -48.6098 -48.6098 -48.6098 -48.6098 -22.9962 -22.9962 -22.9960 -22.9960 -15.3980 -15.3980 -15.3973 -15.3973 -15.3045 -15.3045 -15.3043 -15.3043 3.3989 3.3989 3.4066 3.4066 4.7868 4.7868 4.8029 4.8029 7.6663 7.6663 7.6707 7.6707 10.4572 10.4572 10.4670 10.4670 11.0595 11.0595 11.1094 11.1094 12.4427 12.4427 12.5048 12.5048 13.3126 13.3126 13.4052 13.4052 15.0060 15.0060 15.0745 15.0745 k = 0.0347 0.1373 1.0282 ( 3698 PWs) bands (ev): -48.6098 -48.6098 -48.6098 -48.6098 -22.9960 -22.9960 -22.9958 -22.9958 -15.3980 -15.3980 -15.3974 -15.3974 -15.3032 -15.3032 -15.3031 -15.3031 3.3840 3.3840 3.3907 3.3907 4.7816 4.7816 4.7958 4.7958 7.6542 7.6542 7.6584 7.6584 10.4929 10.4929 10.5014 10.5014 11.0926 11.0926 11.1352 11.1352 12.5418 12.5418 12.6003 12.6003 13.3287 13.3287 13.4202 13.4202 14.9542 14.9542 15.0126 15.0126 k = 0.0289 0.1144 1.0282 ( 3694 PWs) bands (ev): -48.6098 -48.6098 -48.6098 -48.6098 -22.9957 -22.9957 -22.9955 -22.9955 -15.3979 -15.3979 -15.3975 -15.3975 -15.3021 -15.3021 -15.3020 -15.3020 3.3714 3.3714 3.3771 3.3771 4.7774 4.7774 4.7895 4.7895 7.6440 7.6440 7.6479 7.6479 10.5245 10.5245 10.5317 10.5317 11.1187 11.1187 11.1539 11.1539 12.6410 12.6410 12.6960 12.6960 13.3362 13.3362 13.4239 13.4239 14.9211 14.9211 14.9675 14.9675 k = 0.0231 0.0915 1.0282 ( 3686 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9955 -22.9955 -22.9953 -22.9953 -15.3979 -15.3979 -15.3975 -15.3975 -15.3012 -15.3012 -15.3010 -15.3010 3.3612 3.3612 3.3658 3.3658 4.7742 4.7742 4.7840 4.7840 7.6357 7.6357 7.6392 7.6392 10.5517 10.5517 10.5574 10.5574 11.1388 11.1388 11.1667 11.1667 12.7384 12.7384 12.7901 12.7901 13.3324 13.3324 13.4138 13.4138 14.9083 14.9083 14.9411 14.9411 k = 0.0173 0.0686 1.0282 ( 3686 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9953 -22.9953 -22.9952 -22.9952 -15.3978 -15.3978 -15.3976 -15.3976 -15.3004 -15.3004 -15.3003 -15.3003 3.3534 3.3534 3.3568 3.3568 4.7719 4.7719 4.7794 4.7794 7.6295 7.6295 7.6322 7.6322 10.5736 10.5736 10.5779 10.5779 11.1538 11.1538 11.1745 11.1745 12.8315 12.8315 12.8797 12.8797 13.3166 13.3166 13.3890 13.3890 14.9152 14.9152 14.9338 14.9338 k = 0.0116 0.0458 1.0282 ( 3680 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9951 -22.9951 -22.9951 -22.9951 -15.3978 -15.3978 -15.3976 -15.3976 -15.2999 -15.2999 -15.2998 -15.2998 3.3479 3.3479 3.3502 3.3502 4.7707 4.7707 4.7758 4.7758 7.6251 7.6251 7.6270 7.6270 10.5900 10.5900 10.5929 10.5929 11.1647 11.1647 11.1784 11.1784 12.9166 12.9166 12.9592 12.9592 13.2921 13.2921 13.3516 13.3516 14.9370 14.9370 14.9431 14.9431 k = 0.0058 0.0229 1.0282 ( 3668 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9950 -22.9950 -22.9949 -22.9949 -15.3977 -15.3977 -15.3976 -15.3976 -15.2995 -15.2995 -15.2994 -15.2994 3.3449 3.3449 3.3460 3.3460 4.7705 4.7705 4.7730 4.7730 7.6227 7.6227 7.6237 7.6237 10.6003 10.6003 10.6017 10.6017 11.1723 11.1723 11.1791 11.1791 12.9868 12.9868 13.0160 13.0160 13.2703 13.2703 13.3081 13.3081 14.9614 14.9614 14.9625 14.9625 k = 0.0000 0.0000 1.0282 ( 3676 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9950 -22.9950 -22.9950 -22.9950 -15.3977 -15.3977 -15.3977 -15.3977 -15.2994 -15.2994 -15.2994 -15.2994 3.3443 3.3443 3.3443 3.3443 4.7713 4.7713 4.7713 4.7713 7.6223 7.6223 7.6223 7.6223 10.6042 10.6042 10.6042 10.6042 11.1770 11.1770 11.1770 11.1770 13.0271 13.0271 13.0271 13.0271 13.2738 13.2738 13.2738 13.2738 14.9732 14.9732 14.9732 14.9732 k = 0.0000 0.0000 1.0282 ( 3676 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9950 -22.9950 -22.9950 -22.9950 -15.3977 -15.3977 -15.3977 -15.3977 -15.2994 -15.2994 -15.2994 -15.2994 3.3443 3.3443 3.3443 3.3443 4.7713 4.7713 4.7713 4.7713 7.6223 7.6223 7.6223 7.6223 10.6042 10.6042 10.6042 10.6042 11.1770 11.1770 11.1770 11.1770 13.0271 13.0271 13.0271 13.0271 13.2738 13.2738 13.2738 13.2738 14.9732 14.9732 14.9732 14.9732 k = 0.0000 0.0000 1.0048 ( 3668 PWs) bands (ev): -48.6100 -48.6100 -48.6099 -48.6099 -22.9953 -22.9953 -22.9945 -22.9945 -15.3986 -15.3986 -15.3965 -15.3965 -15.3002 -15.3002 -15.2985 -15.2985 3.2241 3.2241 3.4662 3.4662 4.6764 4.6764 4.8681 4.8681 7.5067 7.5067 7.7393 7.7393 10.6012 10.6012 10.6081 10.6081 11.1751 11.1751 11.1774 11.1774 12.9522 12.9522 13.1033 13.1033 13.2250 13.2250 13.3234 13.3234 14.9175 14.9175 15.0298 15.0298 k = 0.0000 0.0000 0.9815 ( 3678 PWs) bands (ev): -48.6101 -48.6101 -48.6098 -48.6098 -22.9957 -22.9957 -22.9942 -22.9942 -15.3994 -15.3994 -15.3951 -15.3951 -15.3011 -15.3011 -15.2977 -15.2977 3.1058 3.1058 3.5897 3.5897 4.5836 4.5836 4.9666 4.9666 7.3930 7.3930 7.8576 7.8576 10.5993 10.5993 10.6127 10.6127 11.1717 11.1717 11.1764 11.1764 12.8796 12.8796 13.1668 13.1668 13.1918 13.1918 13.3714 13.3714 14.8641 14.8641 15.0362 15.0362 k = 0.0000 0.0000 0.9581 ( 3674 PWs) bands (ev): -48.6102 -48.6102 -48.6097 -48.6097 -22.9959 -22.9959 -22.9937 -22.9937 -15.3998 -15.3998 -15.3934 -15.3934 -15.3020 -15.3020 -15.2969 -15.2969 2.9895 2.9895 3.7144 3.7144 4.4933 4.4933 5.0666 5.0666 7.2815 7.2815 7.9769 7.9769 10.5984 10.5984 10.6180 10.6180 11.1664 11.1664 11.1742 11.1742 12.8100 12.8100 13.1298 13.1298 13.2620 13.2620 13.4158 13.4158 14.8130 14.8130 14.9530 14.9530 k = 0.0000 0.0000 0.9347 ( 3670 PWs) bands (ev): -48.6103 -48.6103 -48.6097 -48.6097 -22.9962 -22.9962 -22.9930 -22.9930 -15.4001 -15.4001 -15.3914 -15.3914 -15.3029 -15.3029 -15.2960 -15.2960 2.8753 2.8753 3.8396 3.8396 4.4060 4.4060 5.1679 5.1679 7.1724 7.1724 8.0971 8.0971 10.5987 10.5987 10.6235 10.6235 11.1592 11.1592 11.1708 11.1708 12.7439 12.7439 13.0889 13.0889 13.3392 13.3392 13.4536 13.4536 14.7636 14.7636 14.8809 14.8809 k = 0.0000 0.0000 0.9113 ( 3676 PWs) bands (ev): -48.6104 -48.6104 -48.6097 -48.6097 -22.9964 -22.9964 -22.9925 -22.9925 -15.4002 -15.4002 -15.3893 -15.3893 -15.3038 -15.3038 -15.2953 -15.2953 2.7631 2.7631 3.9632 3.9632 4.3239 4.3239 5.2702 5.2702 7.0665 7.0665 8.2177 8.2177 10.6002 10.6002 10.6293 10.6293 11.1498 11.1498 11.1665 11.1665 12.6817 12.6817 13.0520 13.0520 13.4149 13.4149 13.4815 13.4815 14.7166 14.7166 14.8275 14.8275 k = 0.0000 0.0000 0.8880 ( 3680 PWs) bands (ev): -48.6105 -48.6105 -48.6096 -48.6096 -22.9966 -22.9966 -22.9919 -22.9919 -15.4001 -15.4001 -15.3869 -15.3869 -15.3047 -15.3047 -15.2946 -15.2946 2.6532 2.6532 4.0736 4.0736 4.2584 4.2584 5.3729 5.3729 6.9642 6.9642 8.3385 8.3385 10.6030 10.6030 10.6348 10.6348 11.1379 11.1379 11.1615 11.1615 12.6240 12.6240 13.0200 13.0200 13.4874 13.4874 13.4962 13.4962 14.6764 14.6764 14.7935 14.7935 k = 0.0000 0.0000 0.8646 ( 3684 PWs) bands (ev): -48.6106 -48.6106 -48.6096 -48.6096 -22.9967 -22.9967 -22.9912 -22.9912 -15.3998 -15.3998 -15.3844 -15.3844 -15.3055 -15.3055 -15.2939 -15.2939 2.5455 2.5455 4.1008 4.1008 4.2793 4.2793 5.4754 5.4754 6.8665 6.8665 8.4594 8.4594 10.6069 10.6069 10.6399 10.6399 11.1233 11.1233 11.1559 11.1559 12.5712 12.5712 12.9933 12.9933 13.4942 13.4942 13.5553 13.5553 14.6489 14.6489 14.7775 14.7775 k = 0.0000 0.0000 0.8412 ( 3686 PWs) bands (ev): -48.6108 -48.6108 -48.6096 -48.6096 -22.9967 -22.9967 -22.9906 -22.9906 -15.3992 -15.3992 -15.3816 -15.3816 -15.3063 -15.3063 -15.2932 -15.2932 2.4401 2.4401 4.0409 4.0409 4.3903 4.3903 5.5766 5.5766 6.7750 6.7750 8.5800 8.5800 10.6120 10.6120 10.6442 10.6442 11.1061 11.1061 11.1499 11.1499 12.5238 12.5238 12.9724 12.9724 13.4743 13.4743 13.6164 13.6164 14.6382 14.6382 14.7786 14.7786 k = 0.0000 0.0000 0.8179 ( 3698 PWs) bands (ev): -48.6109 -48.6109 -48.6096 -48.6096 -22.9968 -22.9968 -22.9899 -22.9899 -15.3985 -15.3985 -15.3786 -15.3786 -15.3072 -15.3072 -15.2926 -15.2926 2.3370 2.3370 3.9674 3.9674 4.5175 4.5175 5.6746 5.6746 6.6918 6.6918 8.6999 8.6999 10.6183 10.6183 10.6474 10.6474 11.0861 11.0861 11.1434 11.1434 12.4823 12.4823 12.9573 12.9573 13.4369 13.4369 13.6691 13.6691 14.6454 14.6454 14.7966 14.7966 k = 0.0000 0.0000 0.7945 ( 3701 PWs) bands (ev): -48.6110 -48.6110 -48.6096 -48.6096 -22.9968 -22.9968 -22.9892 -22.9892 -15.3976 -15.3976 -15.3754 -15.3754 -15.3079 -15.3079 -15.2921 -15.2921 2.2363 2.2363 3.8926 3.8926 4.6480 4.6480 5.7662 5.7662 6.6207 6.6207 8.8188 8.8188 10.6256 10.6256 10.6491 10.6491 11.0634 11.0634 11.1365 11.1365 12.4471 12.4471 12.9483 12.9483 13.3841 13.3841 13.7122 13.7122 14.6695 14.6695 14.8309 14.8309 k = 0.0000 0.0000 0.7711 ( 3689 PWs) bands (ev): -48.6112 -48.6112 -48.6096 -48.6096 -22.9966 -22.9966 -22.9883 -22.9883 -15.3966 -15.3966 -15.3720 -15.3720 -15.3084 -15.3084 -15.2914 -15.2914 2.1380 2.1380 3.8187 3.8187 4.7788 4.7788 5.8463 5.8463 6.5677 6.5677 8.9364 8.9364 10.6338 10.6338 10.6491 10.6491 11.0382 11.0382 11.1293 11.1293 12.4186 12.4186 12.9451 12.9451 13.3192 13.3192 13.7453 13.7453 14.7084 14.7084 14.8800 14.8800 k = 0.0000 0.0000 0.7478 ( 3693 PWs) bands (ev): -48.6113 -48.6113 -48.6096 -48.6096 -22.9965 -22.9965 -22.9875 -22.9875 -15.3954 -15.3954 -15.3685 -15.3685 -15.3090 -15.3090 -15.2909 -15.2909 2.0421 2.0421 3.7464 3.7464 4.9079 4.9079 5.9074 5.9074 6.5416 6.5416 9.0522 9.0522 10.6423 10.6423 10.6477 10.6477 11.0107 11.0107 11.1217 11.1217 12.3971 12.3971 12.9477 12.9477 13.2454 13.2454 13.7689 13.7689 14.7572 14.7572 14.9414 14.9414 k = 0.0000 0.0000 0.7244 ( 3695 PWs) bands (ev): -48.6115 -48.6115 -48.6097 -48.6097 -22.9963 -22.9963 -22.9868 -22.9868 -15.3942 -15.3942 -15.3648 -15.3648 -15.3094 -15.3094 -15.2904 -15.2904 1.9487 1.9487 3.6760 3.6760 5.0325 5.0325 5.9433 5.9433 6.5511 6.5511 9.1658 9.1658 10.6415 10.6415 10.6541 10.6541 10.9812 10.9812 11.1138 11.1138 12.3830 12.3830 12.9553 12.9553 13.1660 13.1660 13.7844 13.7844 14.7897 14.7897 14.8933 14.8933 k = 0.0000 0.0000 0.7010 ( 3691 PWs) bands (ev): -48.6117 -48.6117 -48.6097 -48.6097 -22.9961 -22.9961 -22.9859 -22.9859 -15.3929 -15.3929 -15.3610 -15.3610 -15.3097 -15.3097 -15.2899 -15.2899 1.8579 1.8579 3.6076 3.6076 5.1486 5.1486 5.9564 5.9564 6.5977 6.5977 9.2766 9.2766 10.6346 10.6346 10.6647 10.6647 10.9500 10.9500 11.1056 11.1056 12.3764 12.3764 12.9660 12.9660 13.0850 13.0850 13.7936 13.7936 14.7311 14.7311 14.9288 14.9288 k = 0.0000 0.0000 0.6777 ( 3703 PWs) bands (ev): -48.6118 -48.6118 -48.6097 -48.6097 -22.9960 -22.9960 -22.9851 -22.9851 -15.3917 -15.3917 -15.3572 -15.3572 -15.3099 -15.3099 -15.2894 -15.2894 1.7695 1.7695 3.5412 3.5412 5.2491 5.2491 5.9612 5.9612 6.6738 6.6738 9.3841 9.3841 10.6250 10.6250 10.6761 10.6761 10.9174 10.9174 11.0969 11.0969 12.3773 12.3773 12.9612 12.9612 13.0222 13.0222 13.7985 13.7985 14.6471 14.6471 15.0055 15.0055 k = 0.0000 0.0000 0.6543 ( 3707 PWs) bands (ev): -48.6120 -48.6120 -48.6098 -48.6098 -22.9958 -22.9958 -22.9842 -22.9842 -15.3904 -15.3904 -15.3533 -15.3533 -15.3100 -15.3100 -15.2890 -15.2890 1.6838 1.6838 3.4770 3.4770 5.3237 5.3237 5.9776 5.9776 6.7698 6.7698 9.4877 9.4877 10.6128 10.6128 10.6880 10.6880 10.8840 10.8840 11.0878 11.0878 12.3856 12.3856 12.8934 12.8934 13.0262 13.0262 13.8008 13.8008 14.5677 14.5677 15.0913 15.0913 k = 0.0000 0.0000 0.6309 ( 3715 PWs) bands (ev): -48.6122 -48.6122 -48.6098 -48.6098 -22.9956 -22.9956 -22.9834 -22.9834 -15.3891 -15.3891 -15.3494 -15.3494 -15.3099 -15.3099 -15.2885 -15.2885 1.6007 1.6007 3.4149 3.4149 5.3625 5.3625 6.0226 6.0226 6.8785 6.8785 9.5867 9.5867 10.5981 10.5981 10.7002 10.7002 10.8502 10.8502 11.0783 11.0783 12.4011 12.4011 12.8085 12.8085 13.0521 13.0521 13.8022 13.8022 14.4968 14.4968 15.1785 15.1785 k = 0.0000 0.0000 0.6076 ( 3711 PWs) bands (ev): -48.6123 -48.6123 -48.6099 -48.6099 -22.9953 -22.9953 -22.9823 -22.9823 -15.3878 -15.3878 -15.3453 -15.3453 -15.3095 -15.3095 -15.2880 -15.2880 1.5203 1.5203 3.3549 3.3549 5.3647 5.3647 6.1013 6.1013 6.9956 6.9956 9.6804 9.6804 10.5810 10.5810 10.7124 10.7124 10.8167 10.8167 11.0682 11.0682 12.4228 12.4228 12.7229 12.7229 13.0844 13.0844 13.8037 13.8037 14.4359 14.4359 15.2349 15.2349 k = 0.0000 0.0000 0.5842 ( 3705 PWs) bands (ev): -48.6125 -48.6125 -48.6099 -48.6099 -22.9949 -22.9949 -22.9814 -22.9814 -15.3866 -15.3866 -15.3413 -15.3413 -15.3089 -15.3089 -15.2875 -15.2875 1.4426 1.4426 3.2972 3.2972 5.3393 5.3393 6.2071 6.2071 7.1184 7.1184 9.7679 9.7679 10.5620 10.5620 10.7241 10.7241 10.7843 10.7843 11.0576 11.0576 12.4479 12.4479 12.6411 12.6411 13.1213 13.1213 13.8064 13.8064 14.3857 14.3857 15.1920 15.1920 k = 0.0000 0.0000 0.5608 ( 3709 PWs) bands (ev): -48.6127 -48.6127 -48.6100 -48.6100 -22.9947 -22.9947 -22.9805 -22.9805 -15.3855 -15.3855 -15.3373 -15.3373 -15.3082 -15.3082 -15.2871 -15.2871 1.3676 1.3676 3.2417 3.2417 5.2969 5.2969 6.3308 6.3308 7.2456 7.2456 9.8485 9.8485 10.5412 10.5412 10.7312 10.7312 10.7577 10.7577 11.0463 11.0463 12.4631 12.4631 12.5770 12.5770 13.1622 13.1622 13.8111 13.8111 14.3468 14.3468 15.1141 15.1141 k = 0.0000 0.0000 0.5375 ( 3711 PWs) bands (ev): -48.6128 -48.6128 -48.6100 -48.6100 -22.9943 -22.9943 -22.9796 -22.9796 -15.3845 -15.3845 -15.3334 -15.3334 -15.3072 -15.3072 -15.2865 -15.2865 1.2953 1.2953 3.1884 3.1884 5.2450 5.2450 6.4656 6.4656 7.3760 7.3760 9.9213 9.9213 10.5189 10.5189 10.7149 10.7149 10.7562 10.7562 11.0343 11.0343 12.4260 12.4260 12.5730 12.5730 13.2067 13.2067 13.8184 13.8184 14.3198 14.3198 15.0268 15.0268 k = 0.0000 0.0000 0.5141 ( 3705 PWs) bands (ev): -48.6130 -48.6130 -48.6101 -48.6101 -22.9939 -22.9939 -22.9786 -22.9786 -15.3835 -15.3835 -15.3296 -15.3296 -15.3060 -15.3060 -15.2859 -15.2859 1.2259 1.2259 3.1373 3.1373 5.1883 5.1883 6.6074 6.6074 7.5091 7.5091 9.9853 9.9853 10.4955 10.4955 10.6889 10.6889 10.7665 10.7665 11.0216 11.0216 12.3531 12.3531 12.6125 12.6125 13.2546 13.2546 13.8287 13.8287 14.3047 14.3047 14.9359 14.9359 k = 0.0000 0.0000 0.4907 ( 3693 PWs) bands (ev): -48.6131 -48.6131 -48.6102 -48.6102 -22.9935 -22.9935 -22.9776 -22.9776 -15.3826 -15.3826 -15.3260 -15.3260 -15.3045 -15.3045 -15.2851 -15.2851 1.1592 1.1592 3.0884 3.0884 5.1295 5.1295 6.7538 6.7538 7.6444 7.6444 10.0396 10.0396 10.4713 10.4713 10.6648 10.6648 10.7778 10.7778 11.0081 11.0081 12.2738 12.2738 12.6659 12.6659 13.3059 13.3059 13.8425 13.8425 14.3016 14.3016 14.8436 14.8436 k = 0.0000 0.0000 0.4674 ( 3695 PWs) bands (ev): -48.6133 -48.6133 -48.6102 -48.6102 -22.9931 -22.9931 -22.9767 -22.9767 -15.3820 -15.3820 -15.3226 -15.3226 -15.3029 -15.3029 -15.2843 -15.2843 1.0954 1.0954 3.0418 3.0418 5.0702 5.0702 6.9034 6.9034 7.7815 7.7815 10.0835 10.0835 10.4466 10.4466 10.6445 10.6445 10.7888 10.7888 10.9937 10.9937 12.1939 12.1939 12.7270 12.7270 13.3605 13.3605 13.8601 13.8601 14.3104 14.3104 14.7509 14.7509 k = 0.0000 0.0000 0.4440 ( 3699 PWs) bands (ev): -48.6135 -48.6135 -48.6103 -48.6103 -22.9928 -22.9928 -22.9758 -22.9758 -15.3815 -15.3815 -15.3194 -15.3194 -15.3012 -15.3012 -15.2834 -15.2834 1.0346 1.0346 2.9974 2.9974 5.0114 5.0114 7.0550 7.0550 7.9201 7.9201 10.1165 10.1165 10.4218 10.4218 10.6287 10.6287 10.7992 10.7992 10.9784 10.9784 12.1148 12.1148 12.7943 12.7943 13.4186 13.4186 13.8816 13.8816 14.3303 14.3303 14.6584 14.6584 k = 0.0000 0.0000 0.4206 ( 3695 PWs) bands (ev): -48.6136 -48.6136 -48.6104 -48.6104 -22.9924 -22.9924 -22.9749 -22.9749 -15.3811 -15.3811 -15.3164 -15.3164 -15.2994 -15.2994 -15.2822 -15.2822 0.9766 0.9766 2.9552 2.9552 4.9540 4.9540 7.2079 7.2079 8.0599 8.0599 10.1385 10.1385 10.3969 10.3969 10.6177 10.6177 10.8088 10.8088 10.9624 10.9624 12.0368 12.0368 12.8669 12.8669 13.4803 13.4803 13.9071 13.9071 14.3602 14.3602 14.5671 14.5671 k = 0.0000 0.0000 0.3973 ( 3695 PWs) bands (ev): -48.6138 -48.6138 -48.6104 -48.6104 -22.9920 -22.9920 -22.9741 -22.9741 -15.3807 -15.3807 -15.3137 -15.3137 -15.2977 -15.2977 -15.2807 -15.2807 0.9216 0.9216 2.9154 2.9154 4.8984 4.8984 7.3616 7.3616 8.2007 8.2007 10.1503 10.1503 10.3724 10.3724 10.6114 10.6114 10.8172 10.8172 10.9456 10.9456 11.9600 11.9600 12.9444 12.9444 13.5455 13.5455 13.9368 13.9368 14.3942 14.3942 14.4823 14.4823 k = 0.0000 0.0000 0.3739 ( 3711 PWs) bands (ev): -48.6139 -48.6139 -48.6105 -48.6105 -22.9918 -22.9918 -22.9734 -22.9734 -15.3806 -15.3806 -15.3112 -15.3112 -15.2961 -15.2961 -15.2791 -15.2791 0.8695 0.8695 2.8777 2.8777 4.8449 4.8449 7.5156 7.5156 8.3421 8.3421 10.1532 10.1532 10.3483 10.3483 10.6087 10.6087 10.8240 10.8240 10.9284 10.9284 11.8844 11.8844 13.0264 13.0264 13.6145 13.6145 13.9706 13.9706 14.3678 14.3678 14.4678 14.4678 k = 0.0000 0.0000 0.3505 ( 3709 PWs) bands (ev): -48.6141 -48.6141 -48.6106 -48.6106 -22.9914 -22.9914 -22.9726 -22.9726 -15.3805 -15.3805 -15.3089 -15.3089 -15.2946 -15.2946 -15.2771 -15.2771 0.8205 0.8205 2.8424 2.8424 4.7938 4.7938 7.6693 7.6693 8.4839 8.4839 10.1491 10.1491 10.3250 10.3250 10.6084 10.6084 10.8284 10.8284 10.9115 10.9115 11.8100 11.8100 13.1124 13.1124 13.6870 13.6870 14.0081 14.0081 14.2838 14.2838 14.5203 14.5203 k = 0.0000 0.0000 0.3272 ( 3713 PWs) bands (ev): -48.6142 -48.6142 -48.6106 -48.6106 -22.9912 -22.9912 -22.9719 -22.9719 -15.3805 -15.3805 -15.3069 -15.3069 -15.2932 -15.2932 -15.2749 -15.2749 0.7745 0.7745 2.8093 2.8093 4.7453 4.7453 7.8224 7.8224 8.6257 8.6257 10.1397 10.1397 10.3025 10.3025 10.6095 10.6095 10.8286 10.8286 10.8966 10.8966 11.7365 11.7365 13.2020 13.2020 13.7627 13.7627 14.0477 14.0477 14.1984 14.1984 14.5846 14.5846 k = 0.0000 0.0000 0.3038 ( 3709 PWs) bands (ev): -48.6143 -48.6143 -48.6107 -48.6107 -22.9908 -22.9908 -22.9711 -22.9711 -15.3806 -15.3806 -15.3051 -15.3051 -15.2918 -15.2918 -15.2725 -15.2725 0.7315 0.7315 2.7785 2.7785 4.6997 4.6997 7.9742 7.9742 8.7672 8.7672 10.1269 10.1269 10.2810 10.2810 10.6108 10.6108 10.8218 10.8218 10.8863 10.8863 11.6638 11.6638 13.2948 13.2948 13.8409 13.8409 14.0700 14.0700 14.1357 14.1357 14.6553 14.6553 k = 0.0000 0.0000 0.2804 ( 3709 PWs) bands (ev): -48.6144 -48.6144 -48.6108 -48.6108 -22.9905 -22.9905 -22.9704 -22.9704 -15.3807 -15.3807 -15.3035 -15.3035 -15.2906 -15.2906 -15.2701 -15.2701 0.6916 0.6916 2.7499 2.7499 4.6570 4.6570 8.1244 8.1244 8.9079 8.9079 10.1119 10.1119 10.2606 10.2606 10.6116 10.6116 10.8069 10.8069 10.8819 10.8819 11.5917 11.5917 13.3902 13.3902 13.9176 13.9176 14.0128 14.0128 14.1626 14.1626 14.7307 14.7307 k = 0.0000 0.0000 0.2570 ( 3709 PWs) bands (ev): -48.6146 -48.6146 -48.6108 -48.6108 -22.9902 -22.9902 -22.9699 -22.9699 -15.3808 -15.3808 -15.3021 -15.3021 -15.2894 -15.2894 -15.2677 -15.2677 0.6548 0.6548 2.7237 2.7237 4.6174 4.6174 8.2722 8.2722 9.0473 9.0473 10.0958 10.0958 10.2414 10.2414 10.6117 10.6117 10.7856 10.7856 10.8815 10.8815 11.5200 11.5200 13.4866 13.4866 13.9154 13.9154 14.0175 14.0175 14.2157 14.2157 14.8090 14.8090 k = 0.0000 0.0000 0.2337 ( 3711 PWs) bands (ev): -48.6147 -48.6147 -48.6109 -48.6109 -22.9899 -22.9899 -22.9693 -22.9693 -15.3809 -15.3809 -15.3010 -15.3010 -15.2882 -15.2882 -15.2654 -15.2654 0.6212 0.6212 2.6997 2.6997 4.5810 4.5810 8.4170 8.4170 9.1849 9.1849 10.0795 10.0795 10.2236 10.2236 10.6106 10.6106 10.7604 10.7604 10.8828 10.8828 11.4486 11.4486 13.5798 13.5798 13.8437 13.8437 14.0977 14.0977 14.2757 14.2757 14.8862 14.8862 k = 0.0000 0.0000 0.2103 ( 3723 PWs) bands (ev): -48.6148 -48.6148 -48.6109 -48.6109 -22.9897 -22.9897 -22.9689 -22.9689 -15.3812 -15.3812 -15.3001 -15.3001 -15.2871 -15.2871 -15.2632 -15.2632 0.5907 0.5907 2.6780 2.6780 4.5478 4.5478 8.5580 8.5580 9.3198 9.3198 10.0637 10.0637 10.2073 10.2073 10.6083 10.6083 10.7326 10.7326 10.8848 10.8848 11.3774 11.3774 13.6468 13.6468 13.7981 13.7981 14.1814 14.1814 14.3408 14.3408 14.8156 14.8156 k = 0.0000 0.0000 0.1869 ( 3721 PWs) bands (ev): -48.6149 -48.6149 -48.6109 -48.6109 -22.9894 -22.9894 -22.9684 -22.9684 -15.3813 -15.3813 -15.2994 -15.2994 -15.2859 -15.2859 -15.2611 -15.2611 0.5633 0.5633 2.6585 2.6585 4.5179 4.5179 8.6942 8.6942 9.4512 9.4512 10.0487 10.0487 10.1924 10.1924 10.6044 10.6044 10.7033 10.7033 10.8867 10.8867 11.3064 11.3064 13.6261 13.6261 13.8437 13.8437 14.2636 14.2636 14.4106 14.4106 14.7059 14.7059 k = 0.0000 0.0000 0.1636 ( 3721 PWs) bands (ev): -48.6149 -48.6149 -48.6110 -48.6110 -22.9891 -22.9891 -22.9680 -22.9680 -15.3815 -15.3815 -15.2988 -15.2988 -15.2849 -15.2849 -15.2592 -15.2592 0.5391 0.5391 2.6414 2.6414 4.4914 4.4914 8.8244 8.8244 9.5778 9.5778 10.0351 10.0351 10.1790 10.1790 10.5981 10.5981 10.6741 10.6741 10.8885 10.8885 11.2356 11.2356 13.5617 13.5617 13.9373 13.9373 14.3395 14.3395 14.4838 14.4838 14.6130 14.6130 k = 0.0000 0.0000 0.1402 ( 3721 PWs) bands (ev): -48.6150 -48.6150 -48.6110 -48.6110 -22.9890 -22.9890 -22.9677 -22.9677 -15.3816 -15.3816 -15.2984 -15.2984 -15.2839 -15.2839 -15.2575 -15.2575 0.5181 0.5181 2.6265 2.6265 4.4684 4.4684 8.9470 8.9470 9.6977 9.6977 10.0234 10.0234 10.1672 10.1672 10.5874 10.5874 10.6480 10.6480 10.8899 10.8899 11.1654 11.1654 13.4934 13.4934 14.0397 14.0397 14.3916 14.3916 14.5406 14.5406 14.5741 14.5741 k = 0.0000 0.0000 0.1168 ( 3729 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9888 -22.9888 -22.9674 -22.9674 -15.3818 -15.3818 -15.2981 -15.2981 -15.2831 -15.2831 -15.2561 -15.2561 0.5004 0.5004 2.6139 2.6139 4.4488 4.4488 9.0601 9.0601 9.8083 9.8083 10.0145 10.0145 10.1570 10.1570 10.5699 10.5699 10.6291 10.6291 10.8909 10.8909 11.0965 11.0965 13.4292 13.4292 14.1428 14.1428 14.3789 14.3789 14.5652 14.5652 14.6451 14.6451 k = 0.0000 0.0000 0.0935 ( 3729 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9887 -22.9887 -22.9671 -22.9671 -15.3819 -15.3819 -15.2978 -15.2978 -15.2823 -15.2823 -15.2548 -15.2548 0.4858 0.4858 2.6036 2.6036 4.4327 4.4327 9.1611 9.1611 9.9036 9.9036 10.0115 10.0115 10.1485 10.1485 10.5479 10.5479 10.6176 10.6176 10.8913 10.8913 11.0303 11.0303 13.3725 13.3725 14.2429 14.2429 14.3318 14.3318 14.6278 14.6278 14.7228 14.7228 k = 0.0000 0.0000 0.0701 ( 3721 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9886 -22.9886 -22.9668 -22.9668 -15.3820 -15.3820 -15.2976 -15.2976 -15.2817 -15.2817 -15.2538 -15.2538 0.4745 0.4745 2.5956 2.5956 4.4202 4.4202 9.2467 9.2467 9.9625 9.9625 10.0310 10.0310 10.1419 10.1419 10.5281 10.5281 10.6101 10.6101 10.8902 10.8902 10.9698 10.9698 13.3256 13.3256 14.2872 14.2872 14.3359 14.3359 14.6966 14.6966 14.7980 14.7980 k = 0.0000 0.0000 0.0467 ( 3721 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9885 -22.9885 -22.9667 -22.9667 -15.3821 -15.3821 -15.2974 -15.2974 -15.2813 -15.2813 -15.2530 -15.2530 0.4664 0.4664 2.5899 2.5899 4.4112 4.4112 9.3128 9.3128 9.9744 9.9744 10.0782 10.0782 10.1377 10.1377 10.5164 10.5164 10.6040 10.6040 10.8836 10.8836 10.9233 10.9233 13.2905 13.2905 14.2540 14.2540 14.4145 14.4145 14.7597 14.7597 14.8684 14.8684 k = 0.0000 0.0000 0.0234 ( 3715 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9884 -22.9884 -22.9665 -22.9665 -15.3822 -15.3822 -15.2973 -15.2973 -15.2810 -15.2810 -15.2526 -15.2526 0.4615 0.4615 2.5865 2.5865 4.4059 4.4059 9.3550 9.3550 9.9750 9.9750 10.1108 10.1108 10.1382 10.1382 10.5140 10.5140 10.5990 10.5990 10.8636 10.8636 10.9057 10.9057 13.2688 13.2688 14.2335 14.2335 14.4694 14.4694 14.8061 14.8061 14.9325 14.9325 k = 0.0000 0.0000 0.0000 ( 3711 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9884 -22.9884 -22.9665 -22.9665 -15.3822 -15.3822 -15.2973 -15.2973 -15.2809 -15.2809 -15.2524 -15.2524 0.4599 0.4599 2.5853 2.5853 4.4041 4.4041 9.3695 9.3695 9.9748 9.9748 10.1187 10.1187 10.1417 10.1417 10.5148 10.5148 10.5967 10.5967 10.8523 10.8523 10.9031 10.9031 13.2615 13.2615 14.2267 14.2267 14.4896 14.4896 14.8234 14.8234 14.9711 14.9711 k = 0.0000 0.0000 0.0000 ( 3711 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9884 -22.9884 -22.9665 -22.9665 -15.3822 -15.3822 -15.2973 -15.2973 -15.2809 -15.2809 -15.2524 -15.2524 0.4599 0.4599 2.5853 2.5853 4.4041 4.4041 9.3695 9.3695 9.9748 9.9748 10.1187 10.1187 10.1417 10.1417 10.5148 10.5148 10.5967 10.5967 10.8523 10.8523 10.9031 10.9031 13.2615 13.2615 14.2267 14.2267 14.4896 14.4896 14.8234 14.8234 14.9711 14.9711 k =-0.0227 0.0057 0.0000 ( 3721 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9884 -22.9884 -22.9666 -22.9666 -15.3821 -15.3821 -15.2974 -15.2974 -15.2809 -15.2809 -15.2525 -15.2525 0.4615 0.4615 2.5785 2.5785 4.4121 4.4121 9.3698 9.3698 9.9461 9.9461 10.1179 10.1179 10.1408 10.1408 10.5356 10.5356 10.6023 10.6023 10.8512 10.8512 10.9051 10.9051 13.2596 13.2596 14.2310 14.2310 14.4889 14.4889 14.8219 14.8219 14.9712 14.9712 k =-0.0455 0.0115 0.0000 ( 3715 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9884 -22.9884 -22.9665 -22.9665 -15.3820 -15.3820 -15.2974 -15.2974 -15.2809 -15.2809 -15.2525 -15.2525 0.4662 0.4662 2.5586 2.5586 4.4360 4.4360 9.3704 9.3704 9.8716 9.8716 10.1168 10.1168 10.1391 10.1391 10.5617 10.5617 10.6418 10.6418 10.8483 10.8483 10.9112 10.9112 13.2539 13.2539 14.2442 14.2442 14.4869 14.4869 14.8175 14.8175 14.9713 14.9713 k =-0.0682 0.0172 0.0000 ( 3719 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9883 -22.9883 -22.9666 -22.9666 -15.3817 -15.3817 -15.2976 -15.2976 -15.2808 -15.2808 -15.2527 -15.2527 0.4741 0.4741 2.5264 2.5264 4.4745 4.4745 9.3708 9.3708 9.7717 9.7717 10.1157 10.1157 10.1377 10.1377 10.5635 10.5635 10.7228 10.7228 10.8439 10.8439 10.9212 10.9212 13.2446 13.2446 14.2672 14.2672 14.4837 14.4837 14.8103 14.8103 14.9701 14.9701 k =-0.0909 0.0230 0.0000 ( 3717 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9883 -22.9883 -22.9666 -22.9666 -15.3815 -15.3815 -15.2978 -15.2978 -15.2808 -15.2808 -15.2528 -15.2528 0.4852 0.4852 2.4836 2.4836 4.5262 4.5262 9.3693 9.3693 9.6611 9.6611 10.1133 10.1133 10.1380 10.1380 10.5571 10.5571 10.8130 10.8130 10.8402 10.8402 10.9367 10.9367 13.2319 13.2319 14.3011 14.3011 14.4795 14.4795 14.8005 14.8005 14.9658 14.9658 k =-0.1136 0.0287 0.0000 ( 3719 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9883 -22.9883 -22.9667 -22.9667 -15.3811 -15.3811 -15.2980 -15.2980 -15.2807 -15.2807 -15.2531 -15.2531 0.4994 0.4994 2.4319 2.4319 4.5892 4.5892 9.3595 9.3595 9.5522 9.5522 10.1084 10.1084 10.1408 10.1408 10.5472 10.5472 10.8290 10.8290 10.8990 10.8990 10.9679 10.9679 13.2167 13.2167 14.3469 14.3469 14.4744 14.4744 14.7883 14.7883 14.9568 14.9568 k =-0.1364 0.0345 0.0000 ( 3723 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9883 -22.9883 -22.9668 -22.9668 -15.3806 -15.3806 -15.2984 -15.2984 -15.2807 -15.2807 -15.2534 -15.2534 0.5167 0.5167 2.3729 2.3729 4.6618 4.6618 9.3186 9.3186 9.4714 9.4714 10.1015 10.1015 10.1458 10.1458 10.5353 10.5353 10.8211 10.8211 10.9408 10.9408 11.0393 11.0393 13.2003 13.2003 14.4046 14.4046 14.4688 14.4688 14.7739 14.7739 14.9427 14.9427 k =-0.1591 0.0402 0.0000 ( 3722 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9882 -22.9882 -22.9668 -22.9668 -15.3800 -15.3800 -15.2988 -15.2988 -15.2806 -15.2806 -15.2537 -15.2537 0.5370 0.5370 2.3083 2.3083 4.7422 4.7422 9.2246 9.2246 9.4422 9.4422 10.0932 10.0932 10.1525 10.1525 10.5220 10.5220 10.8117 10.8117 10.9639 10.9639 11.1271 11.1271 13.1846 13.1846 14.4590 14.4590 14.4778 14.4778 14.7577 14.7577 14.9247 14.9247 k =-0.1818 0.0459 0.0000 ( 3718 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9881 -22.9881 -22.9669 -22.9669 -15.3793 -15.3793 -15.2992 -15.2992 -15.2805 -15.2805 -15.2540 -15.2540 0.5605 0.5605 2.2395 2.2395 4.8288 4.8288 9.1051 9.1051 9.4383 9.4383 10.0841 10.0841 10.1605 10.1605 10.5079 10.5079 10.8013 10.8013 10.9842 10.9842 11.2125 11.2125 13.1716 13.1716 14.4544 14.4544 14.5554 14.5554 14.7414 14.7414 14.9044 14.9044 k =-0.2045 0.0517 0.0000 ( 3718 PWs) bands (ev): -48.6152 -48.6152 -48.6111 -48.6111 -22.9880 -22.9880 -22.9669 -22.9669 -15.3787 -15.3787 -15.2996 -15.2996 -15.2804 -15.2804 -15.2544 -15.2544 0.5869 0.5869 2.1676 2.1676 4.9203 4.9203 8.9785 8.9785 9.4420 9.4420 10.0744 10.0744 10.1697 10.1697 10.4934 10.4934 10.7900 10.7900 11.0043 11.0043 11.2910 11.2910 13.1636 13.1636 14.4475 14.4475 14.6353 14.6353 14.7335 14.7335 14.8835 14.8835 k =-0.2273 0.0574 0.0000 ( 3714 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9878 -22.9878 -22.9670 -22.9670 -15.3779 -15.3779 -15.3001 -15.3001 -15.2803 -15.2803 -15.2547 -15.2547 0.6163 0.6163 2.0936 2.0936 5.0153 5.0153 8.8502 8.8502 9.4487 9.4487 10.0646 10.0646 10.1797 10.1797 10.4789 10.4789 10.7779 10.7779 11.0245 11.0245 11.3606 11.3606 13.1627 13.1627 14.4405 14.4405 14.6666 14.6666 14.7794 14.7794 14.8658 14.8658 k =-0.2500 0.0632 0.0000 ( 3710 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9878 -22.9878 -22.9671 -22.9671 -15.3771 -15.3771 -15.3005 -15.3005 -15.2802 -15.2802 -15.2551 -15.2551 0.6486 0.6486 2.0183 2.0183 5.1128 5.1128 8.7223 8.7223 9.4568 9.4568 10.0548 10.0548 10.1904 10.1904 10.4649 10.4649 10.7653 10.7653 11.0446 11.0446 11.4200 11.4200 13.1707 13.1707 14.4335 14.4335 14.6522 14.6522 14.8249 14.8249 14.9022 14.9022 k =-0.2727 0.0689 0.0000 ( 3702 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9876 -22.9876 -22.9672 -22.9672 -15.3762 -15.3762 -15.3010 -15.3010 -15.2801 -15.2801 -15.2555 -15.2555 0.6838 0.6838 1.9424 1.9424 5.2115 5.2115 8.5961 8.5961 9.4655 9.4655 10.0453 10.0453 10.2016 10.2016 10.4516 10.4516 10.7523 10.7523 11.0644 11.0644 11.4686 11.4686 13.1886 13.1886 14.4268 14.4268 14.6297 14.6297 14.8101 14.8101 15.0141 15.0141 k =-0.2955 0.0747 0.0000 ( 3698 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9874 -22.9874 -22.9673 -22.9673 -15.3754 -15.3754 -15.3016 -15.3016 -15.2799 -15.2799 -15.2559 -15.2559 0.7217 0.7217 1.8665 1.8665 5.3101 5.3101 8.4730 8.4730 9.4744 9.4744 10.0362 10.0362 10.2132 10.2132 10.4394 10.4394 10.7390 10.7390 11.0835 11.0835 11.5064 11.5064 13.2167 13.2167 14.4204 14.4204 14.6057 14.6057 14.7912 14.7912 15.1185 15.1185 k =-0.3182 0.0804 0.0000 ( 3684 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9872 -22.9872 -22.9673 -22.9673 -15.3745 -15.3745 -15.3021 -15.3021 -15.2798 -15.2798 -15.2562 -15.2562 0.7622 0.7622 1.7912 1.7912 5.4075 5.4075 8.3540 8.3540 9.4832 9.4832 10.0277 10.0277 10.2249 10.2249 10.4283 10.4283 10.7258 10.7258 11.1016 11.1016 11.5340 11.5340 13.2542 13.2542 14.4145 14.4145 14.5817 14.5817 14.7729 14.7729 15.1298 15.1298 k =-0.3409 0.0862 0.0000 ( 3686 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9871 -22.9871 -22.9674 -22.9674 -15.3738 -15.3738 -15.3025 -15.3025 -15.2797 -15.2797 -15.2566 -15.2566 0.8051 0.8051 1.7169 1.7169 5.5022 5.5022 8.2405 8.2405 9.4916 9.4916 10.0199 10.0199 10.2365 10.2365 10.4186 10.4186 10.7129 10.7129 11.1185 11.1185 11.5527 11.5527 13.2997 13.2997 14.4091 14.4091 14.5588 14.5588 14.7562 14.7562 15.1386 15.1386 k =-0.3636 0.0919 0.0000 ( 3682 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9870 -22.9870 -22.9675 -22.9675 -15.3731 -15.3731 -15.3030 -15.3030 -15.2796 -15.2796 -15.2569 -15.2569 0.8503 0.8503 1.6441 1.6441 5.5923 5.5923 8.1343 8.1343 9.4993 9.4993 10.0129 10.0129 10.2476 10.2476 10.4103 10.4103 10.7005 10.7005 11.1339 11.1339 11.5642 11.5642 13.3507 13.3507 14.4043 14.4043 14.5378 14.5378 14.7414 14.7414 15.1465 15.1465 k =-0.3864 0.0976 0.0000 ( 3686 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9869 -22.9869 -22.9676 -22.9676 -15.3725 -15.3725 -15.3034 -15.3034 -15.2795 -15.2795 -15.2572 -15.2572 0.8974 0.8974 1.5733 1.5733 5.6758 5.6758 8.0372 8.0372 9.5062 9.5062 10.0069 10.0069 10.2579 10.2579 10.4034 10.4034 10.6891 10.6891 11.1474 11.1474 11.5701 11.5701 13.4041 13.4041 14.4001 14.4001 14.5192 14.5192 14.7288 14.7288 15.1533 15.1533 k =-0.4091 0.1034 0.0000 ( 3682 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9868 -22.9868 -22.9676 -22.9676 -15.3719 -15.3719 -15.3038 -15.3038 -15.2794 -15.2794 -15.2574 -15.2574 0.9456 0.9456 1.5055 1.5055 5.7503 5.7503 7.9518 7.9518 9.5120 9.5120 10.0018 10.0018 10.2671 10.2671 10.3979 10.3979 10.6790 10.6790 11.1588 11.1588 11.5722 11.5722 13.4564 13.4564 14.3967 14.3967 14.5036 14.5036 14.7187 14.7187 15.1591 15.1591 k =-0.4318 0.1091 0.0000 ( 3674 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9867 -22.9867 -22.9677 -22.9677 -15.3715 -15.3715 -15.3041 -15.3041 -15.2793 -15.2793 -15.2576 -15.2576 0.9938 0.9938 1.4420 1.4420 5.8129 5.8129 7.8806 7.8806 9.5167 9.5167 9.9978 9.9978 10.2748 10.2748 10.3937 10.3937 10.6706 10.6706 11.1679 11.1679 11.5721 11.5721 13.5034 13.5034 14.3940 14.3940 14.4912 14.4912 14.7111 14.7111 15.1639 15.1639 k =-0.4545 0.1149 0.0000 ( 3672 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9866 -22.9866 -22.9677 -22.9677 -15.3711 -15.3711 -15.3043 -15.3043 -15.2793 -15.2793 -15.2577 -15.2577 1.0394 1.0394 1.3854 1.3854 5.8607 5.8607 7.8269 7.8269 9.5202 9.5202 9.9949 9.9949 10.2806 10.2806 10.3908 10.3908 10.6643 10.6643 11.1746 11.1746 11.5712 11.5712 13.5409 13.5409 14.3921 14.3921 14.4823 14.4823 14.7059 14.7059 15.1678 15.1678 k =-0.4773 0.1206 0.0000 ( 3674 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9866 -22.9866 -22.9677 -22.9677 -15.3710 -15.3710 -15.3044 -15.3044 -15.2793 -15.2793 -15.2578 -15.2578 1.0760 1.0760 1.3421 1.3421 5.8907 5.8907 7.7932 7.7932 9.5223 9.5223 9.9931 9.9931 10.2842 10.2842 10.3891 10.3891 10.6603 10.6603 11.1786 11.1786 11.5702 11.5702 13.5654 13.5654 14.3909 14.3909 14.4770 14.4770 14.7030 14.7030 15.1710 15.1710 k =-0.5000 0.1264 0.0000 ( 3670 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9866 -22.9866 -22.9677 -22.9677 -15.3708 -15.3708 -15.3045 -15.3045 -15.2793 -15.2793 -15.2578 -15.2578 1.0912 1.0912 1.3247 1.3247 5.9010 5.9010 7.7817 7.7817 9.5230 9.5230 9.9926 9.9926 10.2855 10.2855 10.3885 10.3885 10.6590 10.6590 11.1800 11.1800 11.5698 11.5698 13.5738 13.5738 14.3905 14.3905 14.4752 14.4752 14.7021 14.7021 15.1724 15.1724 k =-0.5000 0.1264 0.0000 ( 3670 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9866 -22.9866 -22.9677 -22.9677 -15.3708 -15.3708 -15.3045 -15.3045 -15.2793 -15.2793 -15.2578 -15.2578 1.0912 1.0912 1.3247 1.3247 5.9010 5.9010 7.7817 7.7817 9.5230 9.5230 9.9926 9.9926 10.2855 10.2855 10.3885 10.3885 10.6590 10.6590 11.1800 11.1800 11.5698 11.5698 13.5738 13.5738 14.3905 14.3905 14.4752 14.4752 14.7021 14.7021 15.1724 15.1724 k =-0.4941 0.1495-0.0000 ( 3676 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9867 -22.9867 -22.9677 -22.9677 -15.3709 -15.3709 -15.3046 -15.3046 -15.2794 -15.2794 -15.2578 -15.2578 1.0927 1.0927 1.3262 1.3262 5.9026 5.9026 7.7809 7.7809 9.4969 9.4969 10.0089 10.0089 10.2865 10.2865 10.3891 10.3891 10.6581 10.6581 11.1665 11.1665 11.5879 11.5879 13.5805 13.5805 14.3606 14.3606 14.4724 14.4724 14.7151 14.7151 15.1243 15.1243 k =-0.4883 0.1727-0.0000 ( 3668 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9867 -22.9867 -22.9677 -22.9677 -15.3710 -15.3710 -15.3049 -15.3049 -15.2796 -15.2796 -15.2578 -15.2578 1.0972 1.0972 1.3306 1.3306 5.9076 5.9076 7.7785 7.7785 9.4279 9.4279 10.0484 10.0484 10.2896 10.2896 10.3910 10.3910 10.6555 10.6555 11.1325 11.1325 11.6358 11.6358 13.6004 13.6004 14.2993 14.2993 14.4395 14.4395 14.7530 14.7530 15.0303 15.0303 k =-0.4824 0.1958-0.0000 ( 3678 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9869 -22.9869 -22.9679 -22.9679 -15.3712 -15.3712 -15.3056 -15.3056 -15.2801 -15.2801 -15.2578 -15.2578 1.1047 1.1047 1.3379 1.3379 5.9159 5.9159 7.7743 7.7743 9.3316 9.3316 10.0951 10.0951 10.2948 10.2948 10.3939 10.3939 10.6512 10.6512 11.0899 11.0899 11.7026 11.7026 13.6329 13.6329 14.2289 14.2289 14.3732 14.3732 14.7890 14.7890 14.9471 14.9471 k =-0.4766 0.2190-0.0000 ( 3678 PWs) bands (ev): -48.6150 -48.6150 -48.6111 -48.6111 -22.9870 -22.9870 -22.9681 -22.9681 -15.3713 -15.3713 -15.3065 -15.3065 -15.2807 -15.2807 -15.2579 -15.2579 1.1152 1.1152 1.3482 1.3482 5.9275 5.9275 7.7684 7.7684 9.2184 9.2184 10.1377 10.1377 10.3022 10.3022 10.3979 10.3979 10.6452 10.6452 11.0475 11.0475 11.7809 11.7809 13.6771 13.6771 14.1560 14.1560 14.2873 14.2873 14.7451 14.7451 14.9492 14.9492 k =-0.4707 0.2421-0.0000 ( 3690 PWs) bands (ev): -48.6150 -48.6150 -48.6110 -48.6110 -22.9873 -22.9873 -22.9685 -22.9685 -15.3716 -15.3716 -15.3077 -15.3077 -15.2816 -15.2816 -15.2580 -15.2580 1.1286 1.1286 1.3613 1.3613 5.9424 5.9424 7.7606 7.7606 9.0938 9.0938 10.1698 10.1698 10.3120 10.3120 10.4026 10.4026 10.6377 10.6377 11.0111 11.0111 11.8663 11.8663 13.7316 13.7316 14.0822 14.0822 14.1927 14.1927 14.6447 14.6447 14.9668 14.9668 k =-0.4649 0.2653-0.0000 ( 3696 PWs) bands (ev): -48.6150 -48.6150 -48.6110 -48.6110 -22.9875 -22.9875 -22.9688 -22.9688 -15.3719 -15.3719 -15.3091 -15.3091 -15.2825 -15.2825 -15.2580 -15.2580 1.1451 1.1451 1.3773 1.3773 5.9606 5.9606 7.7508 7.7508 8.9610 8.9610 10.1876 10.1876 10.3242 10.3242 10.4076 10.4076 10.6286 10.6286 10.9846 10.9846 11.9566 11.9566 13.7932 13.7932 14.0063 14.0063 14.0990 14.0990 14.5354 14.5354 14.8989 14.8989 k =-0.4590 0.2884-0.0000 ( 3700 PWs) bands (ev): -48.6149 -48.6149 -48.6110 -48.6110 -22.9879 -22.9879 -22.9691 -22.9691 -15.3723 -15.3723 -15.3107 -15.3107 -15.2836 -15.2836 -15.2579 -15.2579 1.1645 1.1645 1.3961 1.3961 5.9820 5.9820 7.7388 7.7388 8.8222 8.8222 10.1899 10.1899 10.3387 10.3387 10.4126 10.4126 10.6177 10.6177 10.9704 10.9704 12.0504 12.0504 13.8494 13.8494 13.9270 13.9270 14.0222 14.0222 14.4263 14.4263 14.8159 14.8159 k =-0.4532 0.3116-0.0000 ( 3704 PWs) bands (ev): -48.6149 -48.6149 -48.6109 -48.6109 -22.9882 -22.9882 -22.9695 -22.9695 -15.3728 -15.3728 -15.3126 -15.3126 -15.2848 -15.2848 -15.2579 -15.2579 1.1868 1.1868 1.4177 1.4177 6.0067 6.0067 7.7245 7.7245 8.6786 8.6786 10.1775 10.1775 10.3551 10.3551 10.4170 10.4170 10.6051 10.6051 10.9689 10.9689 12.1468 12.1468 13.8131 13.8131 13.8862 13.8862 14.0069 14.0069 14.3216 14.3216 14.7265 14.7265 k =-0.4473 0.3347-0.0000 ( 3704 PWs) bands (ev): -48.6148 -48.6148 -48.6108 -48.6108 -22.9886 -22.9886 -22.9698 -22.9698 -15.3734 -15.3734 -15.3147 -15.3147 -15.2861 -15.2861 -15.2578 -15.2578 1.2122 1.2122 1.4420 1.4420 6.0345 6.0345 7.7077 7.7077 8.5314 8.5314 10.1529 10.1529 10.3731 10.3731 10.4202 10.4202 10.5905 10.5905 10.9788 10.9788 12.2449 12.2449 13.7134 13.7134 13.8409 13.8409 14.0572 14.0572 14.2328 14.2328 14.6334 14.6334 k =-0.4415 0.3579-0.0000 ( 3698 PWs) bands (ev): -48.6147 -48.6147 -48.6108 -48.6108 -22.9889 -22.9889 -22.9702 -22.9702 -15.3740 -15.3740 -15.3170 -15.3170 -15.2875 -15.2875 -15.2576 -15.2576 1.2404 1.2404 1.4689 1.4689 6.0656 6.0656 7.6878 7.6878 8.3817 8.3817 10.1192 10.1192 10.3929 10.3929 10.4219 10.4219 10.5739 10.5739 10.9980 10.9980 12.3442 12.3442 13.6087 13.6087 13.7884 13.7884 14.0545 14.0545 14.2224 14.2224 14.5394 14.5394 k =-0.4356 0.3810-0.0000 ( 3702 PWs) bands (ev): -48.6147 -48.6147 -48.6107 -48.6107 -22.9894 -22.9894 -22.9706 -22.9706 -15.3748 -15.3748 -15.3196 -15.3196 -15.2889 -15.2889 -15.2574 -15.2574 1.2716 1.2716 1.4985 1.4985 6.0997 6.0997 7.6645 7.6645 8.2305 8.2305 10.0793 10.0793 10.4143 10.4143 10.4214 10.4214 10.5555 10.5555 11.0243 11.0243 12.4442 12.4442 13.5047 13.5047 13.7380 13.7380 13.9747 13.9747 14.2951 14.2951 14.4513 14.4513 k =-0.4298 0.4042-0.0000 ( 3702 PWs) bands (ev): -48.6146 -48.6146 -48.6106 -48.6106 -22.9899 -22.9899 -22.9711 -22.9711 -15.3757 -15.3757 -15.3224 -15.3224 -15.2904 -15.2904 -15.2572 -15.2572 1.3056 1.3056 1.5305 1.5305 6.1370 6.1370 7.6368 7.6368 8.0791 8.0791 10.0360 10.0360 10.4175 10.4175 10.4379 10.4379 10.5354 10.5354 11.0556 11.0556 12.5444 12.5444 13.4038 13.4038 13.6906 13.6906 13.8830 13.8830 14.3149 14.3149 14.4383 14.4383 k =-0.4239 0.4273-0.0000 ( 3706 PWs) bands (ev): -48.6145 -48.6145 -48.6105 -48.6105 -22.9904 -22.9904 -22.9717 -22.9717 -15.3767 -15.3767 -15.3254 -15.3254 -15.2919 -15.2919 -15.2569 -15.2569 1.3426 1.3426 1.5650 1.5650 6.1772 6.1772 7.6026 7.6026 7.9301 7.9301 9.9913 9.9913 10.4101 10.4101 10.4623 10.4623 10.5141 10.5141 11.0904 11.0904 12.6438 12.6438 13.3077 13.3077 13.6457 13.6457 13.7931 13.7931 14.2346 14.2346 14.5349 14.5349 k =-0.4181 0.4505-0.0000 ( 3706 PWs) bands (ev): -48.6144 -48.6144 -48.6105 -48.6105 -22.9909 -22.9909 -22.9722 -22.9722 -15.3778 -15.3778 -15.3286 -15.3286 -15.2933 -15.2933 -15.2566 -15.2566 1.3824 1.3824 1.6017 1.6017 6.2205 6.2205 7.5563 7.5563 7.7893 7.7893 9.9470 9.9470 10.3980 10.3980 10.4808 10.4808 10.4991 10.4991 11.1279 11.1279 12.7408 12.7408 13.2191 13.2191 13.6009 13.6009 13.7097 13.7097 14.1454 14.1454 14.6477 14.6477 k =-0.4122 0.4736-0.0000 ( 3702 PWs) bands (ev): -48.6143 -48.6143 -48.6104 -48.6104 -22.9914 -22.9914 -22.9727 -22.9727 -15.3791 -15.3791 -15.3319 -15.3319 -15.2948 -15.2948 -15.2562 -15.2562 1.4251 1.4251 1.6408 1.6408 6.2667 6.2667 7.4834 7.4834 7.6716 7.6716 9.9041 9.9041 10.3804 10.3804 10.4623 10.4623 10.5212 10.5212 11.1674 11.1674 12.8303 12.8303 13.1433 13.1433 13.5502 13.5502 13.6396 13.6396 14.0583 14.0583 14.7655 14.7655 k =-0.4064 0.4968-0.0000 ( 3706 PWs) bands (ev): -48.6142 -48.6142 -48.6103 -48.6103 -22.9920 -22.9920 -22.9733 -22.9733 -15.3805 -15.3805 -15.3354 -15.3354 -15.2963 -15.2963 -15.2558 -15.2558 1.4706 1.4706 1.6819 1.6819 6.3157 6.3157 7.3700 7.3700 7.5914 7.5914 9.8636 9.8636 10.3566 10.3566 10.4366 10.4366 10.5509 10.5509 11.2083 11.2083 12.8925 12.8925 13.1003 13.1003 13.4875 13.4875 13.5895 13.5895 13.9758 13.9758 14.8858 14.8858 k =-0.4005 0.5199-0.0000 ( 3702 PWs) bands (ev): -48.6141 -48.6141 -48.6102 -48.6102 -22.9925 -22.9925 -22.9739 -22.9739 -15.3820 -15.3820 -15.3390 -15.3390 -15.2976 -15.2976 -15.2553 -15.2553 1.5189 1.5189 1.7251 1.7251 6.3675 6.3675 7.2298 7.2298 7.5352 7.5352 9.8260 9.8260 10.3257 10.3257 10.4093 10.4093 10.5827 10.5827 11.2504 11.2504 12.8884 12.8884 13.1284 13.1284 13.4179 13.4179 13.5554 13.5554 13.8994 13.8994 15.0077 15.0077 k =-0.3947 0.5431-0.0000 ( 3704 PWs) bands (ev): -48.6140 -48.6140 -48.6101 -48.6101 -22.9931 -22.9931 -22.9746 -22.9746 -15.3837 -15.3837 -15.3427 -15.3427 -15.2989 -15.2989 -15.2548 -15.2548 1.5700 1.5700 1.7701 1.7701 6.4218 6.4218 7.0794 7.0794 7.4870 7.4870 9.7918 9.7918 10.2873 10.2873 10.3807 10.3807 10.6161 10.6161 11.2935 11.2935 12.8393 12.8393 13.2018 13.2018 13.3520 13.3520 13.5305 13.5305 13.8307 13.8307 15.1303 15.1303 k =-0.3888 0.5662-0.0000 ( 3708 PWs) bands (ev): -48.6139 -48.6139 -48.6100 -48.6100 -22.9938 -22.9938 -22.9752 -22.9752 -15.3856 -15.3856 -15.3465 -15.3465 -15.3001 -15.3001 -15.2543 -15.2543 1.6238 1.6238 1.8168 1.8168 6.4784 6.4784 6.9256 6.9256 7.4407 7.4407 9.7610 9.7610 10.2411 10.2411 10.3514 10.3514 10.6509 10.6509 11.3375 11.3375 12.7802 12.7802 13.2408 13.2408 13.3356 13.3356 13.5130 13.5130 13.7709 13.7709 15.2530 15.2530 k =-0.3830 0.5894-0.0000 ( 3706 PWs) bands (ev): -48.6138 -48.6138 -48.6099 -48.6099 -22.9944 -22.9944 -22.9758 -22.9758 -15.3876 -15.3876 -15.3503 -15.3503 -15.3012 -15.3012 -15.2537 -15.2537 1.6803 1.6803 1.8652 1.8652 6.5360 6.5360 6.7719 6.7719 7.3942 7.3942 9.7337 9.7337 10.1870 10.1870 10.3214 10.3214 10.6870 10.6870 11.3822 11.3822 12.7204 12.7204 13.1914 13.1914 13.4058 13.4058 13.5093 13.5093 13.7217 13.7217 15.3751 15.3751 k =-0.3771 0.6125-0.0000 ( 3704 PWs) bands (ev): -48.6137 -48.6137 -48.6098 -48.6098 -22.9950 -22.9950 -22.9764 -22.9764 -15.3897 -15.3897 -15.3542 -15.3542 -15.3022 -15.3022 -15.2531 -15.2531 1.7395 1.7395 1.9150 1.9150 6.5721 6.5721 6.6419 6.6419 7.3471 7.3471 9.7096 9.7096 10.1255 10.1255 10.2911 10.2911 10.7242 10.7242 11.4276 11.4276 12.6617 12.6617 13.1312 13.1312 13.4441 13.4441 13.5565 13.5565 13.6848 13.6848 15.4488 15.4488 k =-0.3713 0.6357-0.0000 ( 3708 PWs) bands (ev): -48.6136 -48.6136 -48.6096 -48.6096 -22.9956 -22.9956 -22.9771 -22.9771 -15.3919 -15.3919 -15.3582 -15.3582 -15.3031 -15.3031 -15.2526 -15.2526 1.8013 1.8013 1.9661 1.9661 6.4484 6.4484 6.6742 6.6742 7.2993 7.2993 9.6882 9.6882 10.0574 10.0574 10.2605 10.2605 10.7624 10.7624 11.4735 11.4735 12.6040 12.6040 13.0730 13.0730 13.4417 13.4417 13.6371 13.6371 13.6730 13.6730 15.3817 15.3817 k =-0.3654 0.6589-0.0000 ( 3712 PWs) bands (ev): -48.6135 -48.6135 -48.6095 -48.6095 -22.9963 -22.9963 -22.9777 -22.9777 -15.3942 -15.3942 -15.3620 -15.3620 -15.3039 -15.3039 -15.2520 -15.2520 1.8657 1.8657 2.0184 2.0184 6.2954 6.2954 6.7386 6.7386 7.2508 7.2508 9.6683 9.6683 9.9843 9.9843 10.2300 10.2300 10.8015 10.8015 11.5200 11.5200 12.5468 12.5468 13.0187 13.0187 13.4312 13.4312 13.6413 13.6413 13.7612 13.7612 15.3094 15.3094 k =-0.3596 0.6820-0.0000 ( 3710 PWs) bands (ev): -48.6134 -48.6134 -48.6094 -48.6094 -22.9969 -22.9969 -22.9783 -22.9783 -15.3966 -15.3966 -15.3659 -15.3659 -15.3046 -15.3046 -15.2513 -15.2513 1.9325 1.9325 2.0716 2.0716 6.1415 6.1415 6.8068 6.8068 7.2020 7.2020 9.6476 9.6476 9.9093 9.9093 10.1996 10.1996 10.8413 10.8413 11.5668 11.5668 12.4895 12.4895 12.9688 12.9688 13.4185 13.4185 13.6427 13.6427 13.8681 13.8681 15.2349 15.2349 k =-0.3537 0.7052-0.0000 ( 3710 PWs) bands (ev): -48.6132 -48.6132 -48.6093 -48.6093 -22.9975 -22.9975 -22.9790 -22.9790 -15.3990 -15.3990 -15.3698 -15.3698 -15.3052 -15.3052 -15.2507 -15.2507 2.0017 2.0017 2.1258 2.1258 5.9882 5.9882 6.8775 6.8775 7.1533 7.1533 9.6209 9.6209 9.8380 9.8380 10.1696 10.1696 10.8815 10.8815 11.6140 11.6140 12.4317 12.4317 12.9238 12.9238 13.4038 13.4038 13.6556 13.6556 13.9773 13.9773 15.1603 15.1603 k =-0.3479 0.7283-0.0000 ( 3712 PWs) bands (ev): -48.6131 -48.6131 -48.6092 -48.6092 -22.9981 -22.9981 -22.9796 -22.9796 -15.4014 -15.4014 -15.3735 -15.3735 -15.3057 -15.3057 -15.2501 -15.2501 2.0728 2.0728 2.1809 2.1809 5.8360 5.8360 6.9498 6.9498 7.1052 7.1052 9.5789 9.5789 9.7805 9.7805 10.1402 10.1402 10.9219 10.9219 11.6613 11.6613 12.3734 12.3734 12.8840 12.8840 13.3866 13.3866 13.6796 13.6796 14.0869 14.0869 15.0874 15.0874 k =-0.3420 0.7515-0.0000 ( 3712 PWs) bands (ev): -48.6130 -48.6130 -48.6091 -48.6091 -22.9987 -22.9987 -22.9802 -22.9802 -15.4039 -15.4039 -15.3772 -15.3772 -15.3061 -15.3061 -15.2495 -15.2495 2.1454 2.1454 2.2372 2.2372 5.6851 5.6851 7.0221 7.0221 7.0593 7.0593 9.5141 9.5141 9.7453 9.7453 10.1114 10.1114 10.9624 10.9624 11.7087 11.7087 12.3145 12.3145 12.8497 12.8497 13.3660 13.3660 13.7136 13.7136 14.1954 14.1954 15.0181 15.0181 k =-0.3362 0.7746-0.0000 ( 3710 PWs) bands (ev): -48.6129 -48.6129 -48.6090 -48.6090 -22.9993 -22.9993 -22.9807 -22.9807 -15.4063 -15.4063 -15.3806 -15.3806 -15.3065 -15.3065 -15.2488 -15.2488 2.2183 2.2183 2.2955 2.2955 5.5358 5.5358 7.0099 7.0099 7.1004 7.1004 9.4303 9.4303 9.7292 9.7292 10.0836 10.0836 11.0028 11.0028 11.7559 11.7559 12.2553 12.2553 12.8213 12.8213 13.3409 13.3409 13.7563 13.7563 14.3006 14.3006 14.9540 14.9540 k =-0.3303 0.7978-0.0000 ( 3712 PWs) bands (ev): -48.6129 -48.6129 -48.6089 -48.6089 -22.9998 -22.9998 -22.9813 -22.9813 -15.4087 -15.4087 -15.3841 -15.3841 -15.3068 -15.3068 -15.2483 -15.2483 2.2891 2.2891 2.3578 2.3578 5.3882 5.3882 6.9658 6.9658 7.1756 7.1756 9.3359 9.3359 9.7247 9.7247 10.0568 10.0568 11.0426 11.0426 11.8027 11.8027 12.1961 12.1961 12.7988 12.7988 13.3104 13.3104 13.8061 13.8061 14.3977 14.3977 14.8972 14.8972 k =-0.3245 0.8209-0.0000 ( 3708 PWs) bands (ev): -48.6128 -48.6128 -48.6089 -48.6089 -23.0003 -23.0003 -22.9818 -22.9818 -15.4110 -15.4110 -15.3873 -15.3873 -15.3070 -15.3070 -15.2477 -15.2477 2.3545 2.3545 2.4272 2.4272 5.2425 5.2425 6.9235 6.9235 7.2512 7.2512 9.2366 9.2366 9.7272 9.7272 10.0312 10.0312 11.0819 11.0819 11.8488 11.8488 12.1370 12.1370 12.7827 12.7827 13.2735 13.2735 13.8613 13.8613 14.4766 14.4766 14.8517 14.8517 k =-0.3186 0.8441-0.0000 ( 3700 PWs) bands (ev): -48.6127 -48.6127 -48.6088 -48.6088 -23.0007 -23.0007 -22.9823 -22.9823 -15.4131 -15.4131 -15.3903 -15.3903 -15.3071 -15.3071 -15.2471 -15.2471 2.4131 2.4131 2.5046 2.5046 5.0989 5.0989 6.8837 6.8837 7.3260 7.3260 9.1358 9.1358 9.7344 9.7344 10.0069 10.0069 11.1203 11.1203 11.8939 11.8939 12.0785 12.0785 12.7730 12.7730 13.2297 13.2297 13.9201 13.9201 14.5182 14.5182 14.8247 14.8247 k =-0.3128 0.8672-0.0000 ( 3704 PWs) bands (ev): -48.6126 -48.6126 -48.6087 -48.6087 -23.0012 -23.0012 -22.9828 -22.9828 -15.4153 -15.4153 -15.3932 -15.3932 -15.3073 -15.3073 -15.2465 -15.2465 2.4663 2.4663 2.5883 2.5883 4.9574 4.9574 6.8468 6.8468 7.3986 7.3986 9.0361 9.0361 9.7451 9.7451 9.9841 9.9841 11.1577 11.1577 11.9373 11.9373 12.0209 12.0209 12.7700 12.7700 13.1788 13.1788 13.9803 13.9803 14.5101 14.5101 14.8129 14.8129 k =-0.3069 0.8904-0.0000 ( 3706 PWs) bands (ev): -48.6125 -48.6125 -48.6086 -48.6086 -23.0016 -23.0016 -22.9833 -22.9833 -15.4173 -15.4173 -15.3960 -15.3960 -15.3074 -15.3074 -15.2460 -15.2460 2.5153 2.5153 2.6764 2.6764 4.8185 4.8185 6.8134 6.8134 7.4675 7.4675 8.9402 8.9402 9.7586 9.7586 9.9630 9.9630 11.1939 11.1939 11.9600 11.9600 11.9832 11.9832 12.7736 12.7736 13.1210 13.1210 14.0399 14.0399 14.4677 14.4677 14.8054 14.8054 k =-0.3011 0.9135-0.0000 ( 3690 PWs) bands (ev): -48.6124 -48.6124 -48.6085 -48.6085 -23.0019 -23.0019 -22.9836 -22.9836 -15.4191 -15.4191 -15.3983 -15.3983 -15.3075 -15.3075 -15.2455 -15.2455 2.5607 2.5607 2.7681 2.7681 4.6821 4.6821 6.7839 6.7839 7.5300 7.5300 8.8512 8.8512 9.7744 9.7744 9.9435 9.9435 11.2289 11.2289 11.9064 11.9064 12.0204 12.0204 12.7837 12.7837 13.0569 13.0569 14.0959 14.0959 14.4124 14.4124 14.8027 14.8027 k =-0.2952 0.9367-0.0000 ( 3690 PWs) bands (ev): -48.6124 -48.6124 -48.6085 -48.6085 -23.0023 -23.0023 -22.9839 -22.9839 -15.4208 -15.4208 -15.4005 -15.4005 -15.3076 -15.3076 -15.2450 -15.2450 2.6022 2.6022 2.8629 2.8629 4.5487 4.5487 6.7586 6.7586 7.5827 7.5827 8.7731 8.7731 9.7922 9.7922 9.9259 9.9259 11.2627 11.2627 11.8516 11.8516 12.0568 12.0568 12.8000 12.8000 12.9876 12.9876 14.1445 14.1445 14.3573 14.3573 14.8069 14.8069 k =-0.2894 0.9598-0.0000 ( 3686 PWs) bands (ev): -48.6123 -48.6123 -48.6084 -48.6084 -23.0026 -23.0026 -22.9841 -22.9841 -15.4224 -15.4224 -15.4024 -15.4024 -15.3077 -15.3077 -15.2445 -15.2445 2.6397 2.6397 2.9604 2.9604 4.4185 4.4185 6.7380 6.7380 7.6210 7.6210 8.7107 8.7107 9.8116 9.8116 9.9104 9.9104 11.2952 11.2952 11.7979 11.7979 12.0898 12.0898 12.8202 12.8202 12.9160 12.9160 14.1778 14.1778 14.3134 14.3134 14.8182 14.8182 k =-0.2835 0.9830-0.0000 ( 3702 PWs) bands (ev): -48.6123 -48.6123 -48.6084 -48.6084 -23.0030 -23.0030 -22.9845 -22.9845 -15.4239 -15.4239 -15.4042 -15.4042 -15.3078 -15.3078 -15.2442 -15.2442 2.6725 2.6725 3.0606 3.0606 4.2919 4.2919 6.7223 6.7223 7.6397 7.6397 8.6696 8.6696 9.8321 9.8321 9.8973 9.8973 11.3267 11.3267 11.7453 11.7453 12.1183 12.1183 12.8142 12.8142 12.8730 12.8730 14.1808 14.1808 14.2970 14.2970 14.8360 14.8360 k =-0.2777 1.0061-0.0000 ( 3708 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0033 -23.0033 -22.9848 -22.9848 -15.4251 -15.4251 -15.4057 -15.4057 -15.3079 -15.3079 -15.2438 -15.2438 2.7001 2.7001 3.1633 3.1633 4.1694 4.1694 6.7120 6.7120 7.6346 7.6346 8.6542 8.6542 9.8521 9.8521 9.8881 9.8881 11.3573 11.3573 11.6939 11.6939 12.1414 12.1414 12.7423 12.7423 12.8989 12.8989 14.1568 14.1568 14.3048 14.3048 14.8591 14.8591 k =-0.2718 1.0293-0.0000 ( 3708 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0035 -23.0035 -22.9850 -22.9850 -15.4261 -15.4261 -15.4068 -15.4068 -15.3080 -15.3080 -15.2435 -15.2435 2.7216 2.7216 3.2684 3.2684 4.0517 4.0517 6.7073 6.7073 7.6046 7.6046 8.6657 8.6657 9.8633 9.8633 9.8911 9.8911 11.3872 11.3872 11.6438 11.6438 12.1584 12.1584 12.6595 12.6595 12.9394 12.9394 14.1283 14.1283 14.3145 14.3145 14.8864 14.8864 k =-0.2660 1.0524-0.0000 ( 3708 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0037 -23.0037 -22.9851 -22.9851 -15.4269 -15.4269 -15.4077 -15.4077 -15.3081 -15.3081 -15.2432 -15.2432 2.7361 2.7361 3.3760 3.3760 3.9394 3.9394 6.7084 6.7084 7.5524 7.5524 8.7016 8.7016 9.8609 9.8609 9.9110 9.9110 11.4168 11.4168 11.5948 11.5948 12.1684 12.1684 12.5743 12.5743 12.9865 12.9865 14.1056 14.1056 14.3160 14.3160 14.9170 14.9170 k =-0.2660 1.0524-0.0000 ( 3708 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0037 -23.0037 -22.9851 -22.9851 -15.4269 -15.4269 -15.4077 -15.4077 -15.3081 -15.3081 -15.2432 -15.2432 2.7361 2.7361 3.3760 3.3760 3.9394 3.9394 6.7084 6.7084 7.5524 7.5524 8.7016 8.7016 9.8609 9.8609 9.9110 9.9110 11.4168 11.4168 11.5948 11.5948 12.1684 12.1684 12.5743 12.5743 12.9865 12.9865 14.1056 14.1056 14.3160 14.3160 14.9170 14.9170 k =-0.2660 1.0524 0.0234 ( 3704 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0037 -23.0037 -22.9851 -22.9851 -15.4268 -15.4268 -15.4077 -15.4077 -15.3082 -15.3082 -15.2433 -15.2433 2.7371 2.7371 3.3772 3.3772 3.9408 3.9408 6.7101 6.7101 7.5503 7.5503 8.7031 8.7031 9.8570 9.8570 9.9110 9.9110 11.4057 11.4057 11.5926 11.5926 12.1658 12.1658 12.5639 12.5639 12.9926 12.9926 14.1118 14.1118 14.3212 14.3212 14.9101 14.9101 k =-0.2660 1.0524 0.0467 ( 3704 PWs) bands (ev): -48.6122 -48.6122 -48.6083 -48.6083 -23.0037 -23.0037 -22.9852 -22.9852 -15.4267 -15.4267 -15.4077 -15.4077 -15.3085 -15.3085 -15.2437 -15.2437 2.7399 2.7399 3.3809 3.3809 3.9451 3.9451 6.7153 6.7153 7.5440 7.5440 8.7075 8.7075 9.8463 9.8463 9.9103 9.9103 11.3737 11.3737 11.5859 11.5859 12.1575 12.1575 12.5334 12.5334 13.0107 13.0107 14.1303 14.1303 14.3366 14.3366 14.8916 14.8916 k =-0.2660 1.0524 0.0701 ( 3697 PWs) bands (ev): -48.6121 -48.6121 -48.6082 -48.6082 -23.0037 -23.0037 -22.9853 -22.9853 -15.4265 -15.4265 -15.4077 -15.4077 -15.3089 -15.3089 -15.2443 -15.2443 2.7445 2.7445 3.3870 3.3870 3.9521 3.9521 6.7240 6.7240 7.5335 7.5335 8.7149 8.7149 9.8301 9.8301 9.9075 9.9075 11.3235 11.3235 11.5746 11.5746 12.1422 12.1422 12.4844 12.4844 13.0400 13.0400 14.1602 14.1602 14.3615 14.3615 14.8665 14.8665 k =-0.2660 1.0524 0.0935 ( 3703 PWs) bands (ev): -48.6121 -48.6121 -48.6082 -48.6082 -23.0038 -23.0038 -22.9856 -22.9856 -15.4263 -15.4263 -15.4078 -15.4078 -15.3096 -15.3096 -15.2452 -15.2452 2.7510 2.7510 3.3955 3.3955 3.9620 3.9620 6.7360 6.7360 7.5187 7.5187 8.7253 8.7253 9.8098 9.8098 9.9015 9.9015 11.2589 11.2589 11.5582 11.5582 12.1185 12.1185 12.4194 12.4194 13.0790 13.0790 14.2006 14.2006 14.3948 14.3948 14.8397 14.8397 k =-0.2660 1.0524 0.1168 ( 3703 PWs) bands (ev): -48.6121 -48.6121 -48.6082 -48.6082 -23.0040 -23.0040 -22.9858 -22.9858 -15.4261 -15.4261 -15.4078 -15.4078 -15.3106 -15.3106 -15.2463 -15.2463 2.7594 2.7594 3.4064 3.4064 3.9746 3.9746 6.7515 6.7515 7.4994 7.4994 8.7387 8.7387 9.7862 9.7862 9.8917 9.8917 11.1836 11.1836 11.5363 11.5363 12.0860 12.0860 12.3413 12.3413 13.1263 13.1263 14.2502 14.2502 14.4350 14.4350 14.8147 14.8147 k =-0.2660 1.0524 0.1402 ( 3709 PWs) bands (ev): -48.6120 -48.6120 -48.6082 -48.6082 -23.0042 -23.0042 -22.9861 -22.9861 -15.4258 -15.4258 -15.4078 -15.4078 -15.3118 -15.3118 -15.2476 -15.2476 2.7696 2.7696 3.4198 3.4198 3.9900 3.9900 6.7703 6.7703 7.4755 7.4755 8.7552 8.7552 9.7600 9.7600 9.8774 9.8774 11.1011 11.1011 11.5082 11.5082 12.0449 12.0449 12.2533 12.2533 13.1800 13.1800 14.3074 14.3074 14.4797 14.4797 14.7946 14.7946 k =-0.2660 1.0524 0.1636 ( 3709 PWs) bands (ev): -48.6119 -48.6119 -48.6081 -48.6081 -23.0043 -23.0043 -22.9864 -22.9864 -15.4254 -15.4254 -15.4079 -15.4079 -15.3131 -15.3131 -15.2492 -15.2492 2.7817 2.7817 3.4355 3.4355 4.0083 4.0083 6.7924 6.7924 7.4469 7.4469 8.7747 8.7747 9.7317 9.7317 9.8582 9.8582 11.0145 11.0145 11.4728 11.4728 11.9960 11.9960 12.1588 12.1588 13.2384 13.2384 14.3704 14.3704 14.5252 14.5252 14.7828 14.7828 k =-0.2660 1.0524 0.1869 ( 3705 PWs) bands (ev): -48.6119 -48.6119 -48.6081 -48.6081 -23.0045 -23.0045 -22.9868 -22.9868 -15.4250 -15.4250 -15.4079 -15.4079 -15.3145 -15.3145 -15.2509 -15.2509 2.7957 2.7957 3.4536 3.4536 4.0292 4.0292 6.8178 6.8178 7.4137 7.4137 8.7972 8.7972 9.7018 9.7018 9.8336 9.8336 10.9265 10.9265 11.4287 11.4287 11.9402 11.9402 12.0616 12.0616 13.3000 13.3000 14.4372 14.4372 14.5664 14.5664 14.7843 14.7843 k =-0.2660 1.0524 0.2103 ( 3711 PWs) bands (ev): -48.6118 -48.6118 -48.6081 -48.6081 -23.0047 -23.0047 -22.9873 -22.9873 -15.4245 -15.4245 -15.4081 -15.4081 -15.3161 -15.3161 -15.2530 -15.2530 2.8114 2.8114 3.4741 3.4741 4.0529 4.0529 6.8463 6.8463 7.3756 7.3756 8.8227 8.8227 9.6705 9.6705 9.8032 9.8032 10.8394 10.8394 11.3741 11.3741 11.8780 11.8780 11.9659 11.9659 13.3635 13.3635 14.5034 14.5034 14.5998 14.5998 14.8041 14.8041 k =-0.2660 1.0524 0.2337 ( 3701 PWs) bands (ev): -48.6117 -48.6117 -48.6080 -48.6080 -23.0048 -23.0048 -22.9877 -22.9877 -15.4240 -15.4240 -15.4081 -15.4081 -15.3178 -15.3178 -15.2551 -15.2551 2.8290 2.8290 3.4969 3.4969 4.0793 4.0793 6.8778 6.8778 7.3330 7.3330 8.8509 8.8509 9.6376 9.6376 9.7670 9.7670 10.7554 10.7554 11.3071 11.3071 11.8103 11.8103 11.8756 11.8756 13.4282 13.4282 14.5559 14.5559 14.6362 14.6362 14.8414 14.8414 k =-0.2660 1.0524 0.2570 ( 3703 PWs) bands (ev): -48.6116 -48.6116 -48.6080 -48.6080 -23.0051 -23.0051 -22.9883 -22.9883 -15.4235 -15.4235 -15.4083 -15.4083 -15.3197 -15.3197 -15.2574 -15.2574 2.8485 2.8485 3.5221 3.5221 4.1083 4.1083 6.9121 6.9121 7.2859 7.2859 8.8816 8.8816 9.6019 9.6019 9.7260 9.7260 10.6763 10.6763 11.2262 11.2262 11.7390 11.7390 11.7927 11.7927 13.4935 13.4935 14.5790 14.5790 14.6951 14.6951 14.8889 14.8889 k =-0.2660 1.0524 0.2804 ( 3698 PWs) bands (ev): -48.6115 -48.6115 -48.6079 -48.6079 -23.0054 -23.0054 -22.9888 -22.9888 -15.4230 -15.4230 -15.4084 -15.4084 -15.3217 -15.3217 -15.2598 -15.2598 2.8698 2.8698 3.5495 3.5495 4.1400 4.1400 6.9487 6.9487 7.2350 7.2350 8.9144 8.9144 9.5606 9.5606 9.6831 9.6831 10.6035 10.6035 11.1311 11.1311 11.6677 11.6677 11.7157 11.7157 13.5590 13.5590 14.5859 14.5859 14.7678 14.7678 14.9383 14.9383 k =-0.2660 1.0524 0.3038 ( 3702 PWs) bands (ev): -48.6114 -48.6114 -48.6078 -48.6078 -23.0057 -23.0057 -22.9894 -22.9894 -15.4225 -15.4225 -15.4086 -15.4086 -15.3238 -15.3238 -15.2624 -15.2624 2.8928 2.8928 3.5793 3.5793 4.1743 4.1743 6.9861 6.9861 7.1816 7.1816 8.9488 8.9488 9.5091 9.5091 9.6433 9.6433 10.5378 10.5378 11.0234 11.0234 11.5997 11.5997 11.6420 11.6420 13.6246 13.6246 14.5890 14.5890 14.8446 14.8446 14.9832 14.9832 k =-0.2660 1.0524 0.3272 ( 3694 PWs) bands (ev): -48.6112 -48.6112 -48.6078 -48.6078 -23.0060 -23.0060 -22.9899 -22.9899 -15.4219 -15.4219 -15.4088 -15.4088 -15.3260 -15.3260 -15.2651 -15.2651 2.9177 2.9177 3.6112 3.6112 4.2112 4.2112 7.0183 7.0183 7.1323 7.1323 8.9840 8.9840 9.4441 9.4441 9.6111 9.6111 10.4794 10.4794 10.9054 10.9054 11.5354 11.5354 11.5704 11.5704 13.6901 13.6901 14.5926 14.5926 14.9220 14.9220 15.0186 15.0186 k =-0.2660 1.0524 0.3505 ( 3692 PWs) bands (ev): -48.6111 -48.6111 -48.6077 -48.6077 -23.0063 -23.0063 -22.9906 -22.9906 -15.4214 -15.4214 -15.4090 -15.4090 -15.3282 -15.3282 -15.2679 -15.2679 2.9444 2.9444 3.6454 3.6454 4.2506 4.2506 7.0141 7.0141 7.1180 7.1180 9.0191 9.0191 9.3662 9.3662 9.5876 9.5876 10.4279 10.4279 10.7800 10.7800 11.4737 11.4737 11.5009 11.5009 13.7556 13.7556 14.5984 14.5984 14.9977 14.9977 15.0417 15.0417 k =-0.2660 1.0524 0.3739 ( 3691 PWs) bands (ev): -48.6110 -48.6110 -48.6077 -48.6077 -23.0066 -23.0066 -22.9912 -22.9912 -15.4209 -15.4209 -15.4092 -15.4092 -15.3305 -15.3305 -15.2708 -15.2708 2.9729 2.9729 3.6818 3.6818 4.2925 4.2925 6.9614 6.9614 7.1513 7.1513 9.0524 9.0524 9.2784 9.2784 9.5721 9.5721 10.3821 10.3821 10.6498 10.6498 11.4117 11.4117 11.4354 11.4354 13.8211 13.8211 14.6071 14.6071 15.0413 15.0413 15.0799 15.0799 k =-0.2660 1.0524 0.3973 ( 3689 PWs) bands (ev): -48.6108 -48.6108 -48.6076 -48.6076 -23.0070 -23.0070 -22.9919 -22.9919 -15.4205 -15.4205 -15.4095 -15.4095 -15.3327 -15.3327 -15.2738 -15.2738 3.0032 3.0032 3.7203 3.7203 4.3368 4.3368 6.8937 6.8937 7.1986 7.1986 9.0802 9.0802 9.1857 9.1857 9.5644 9.5644 10.3402 10.3402 10.5181 10.5181 11.3473 11.3473 11.3754 11.3754 13.8867 13.8867 14.6193 14.6193 15.0330 15.0330 15.1521 15.1521 k =-0.2660 1.0524 0.4206 ( 3691 PWs) bands (ev): -48.6107 -48.6107 -48.6075 -48.6075 -23.0073 -23.0073 -22.9927 -22.9927 -15.4202 -15.4202 -15.4099 -15.4099 -15.3350 -15.3350 -15.2769 -15.2769 3.0353 3.0353 3.7608 3.7608 4.3835 4.3835 6.8203 6.8203 7.2510 7.2510 9.0627 9.0627 9.1283 9.1283 9.5646 9.5646 10.2959 10.2959 10.3920 10.3920 11.2816 11.2816 11.3195 11.3195 13.9526 13.9526 14.6349 14.6349 15.0078 15.0078 15.2242 15.2242 k =-0.2660 1.0524 0.4440 ( 3691 PWs) bands (ev): -48.6105 -48.6105 -48.6075 -48.6075 -23.0077 -23.0077 -22.9934 -22.9934 -15.4199 -15.4199 -15.4102 -15.4102 -15.3371 -15.3371 -15.2799 -15.2799 3.0691 3.0691 3.8034 3.8034 4.4325 4.4325 6.7434 6.7434 7.3062 7.3062 8.9658 8.9658 9.1402 9.1402 9.5727 9.5727 10.2167 10.2167 10.3048 10.3048 11.2164 11.2164 11.2658 11.2658 14.0187 14.0187 14.6540 14.6540 14.9698 14.9698 15.2944 15.2944 k =-0.2660 1.0524 0.4674 ( 3692 PWs) bands (ev): -48.6104 -48.6104 -48.6074 -48.6074 -23.0080 -23.0080 -22.9942 -22.9942 -15.4197 -15.4197 -15.4107 -15.4107 -15.3393 -15.3393 -15.2831 -15.2831 3.1047 3.1047 3.8480 3.8480 4.4838 4.4838 6.6639 6.6639 7.3636 7.3636 8.8589 8.8589 9.1524 9.1524 9.5881 9.5881 10.0960 10.0960 10.2644 10.2644 11.1527 11.1527 11.2134 11.2134 14.0851 14.0851 14.6757 14.6757 14.9226 14.9226 15.3623 15.3623 k =-0.2660 1.0524 0.4907 ( 3686 PWs) bands (ev): -48.6102 -48.6102 -48.6073 -48.6073 -23.0084 -23.0084 -22.9949 -22.9949 -15.4196 -15.4196 -15.4111 -15.4111 -15.3413 -15.3413 -15.2861 -15.2861 3.1419 3.1419 3.8944 3.8944 4.5372 4.5372 6.5823 6.5823 7.4223 7.4223 8.7499 8.7499 9.1569 9.1569 9.6081 9.6081 9.9726 9.9726 10.2350 10.2350 11.0912 11.0912 11.1622 11.1622 14.1518 14.1518 14.6978 14.6978 14.8713 14.8713 15.4280 15.4280 k =-0.2660 1.0524 0.5141 ( 3682 PWs) bands (ev): -48.6101 -48.6101 -48.6073 -48.6073 -23.0087 -23.0087 -22.9957 -22.9957 -15.4196 -15.4196 -15.4116 -15.4116 -15.3431 -15.3431 -15.2892 -15.2892 3.1810 3.1810 3.9426 3.9426 4.5928 4.5928 6.4991 6.4991 7.4816 7.4816 8.6411 8.6411 9.1520 9.1520 9.6248 9.6248 9.8623 9.8623 10.2092 10.2092 11.0323 11.0323 11.1122 11.1122 14.2187 14.2187 14.7112 14.7112 14.8277 14.8277 15.4912 15.4912 k =-0.2660 1.0524 0.5375 ( 3682 PWs) bands (ev): -48.6099 -48.6099 -48.6072 -48.6072 -23.0090 -23.0090 -22.9965 -22.9965 -15.4198 -15.4198 -15.4121 -15.4121 -15.3448 -15.3448 -15.2923 -15.2923 3.2217 3.2217 3.9925 3.9925 4.6503 4.6503 6.4147 6.4147 7.5402 7.5402 8.5343 8.5343 9.1355 9.1355 9.6136 9.6136 9.7921 9.7921 10.1852 10.1852 10.9763 10.9763 11.0636 11.0636 14.2858 14.2858 14.6907 14.6907 14.8192 14.8192 15.5520 15.5520 k =-0.2660 1.0524 0.5608 ( 3680 PWs) bands (ev): -48.6097 -48.6097 -48.6072 -48.6072 -23.0094 -23.0094 -22.9973 -22.9973 -15.4200 -15.4200 -15.4128 -15.4128 -15.3463 -15.3463 -15.2953 -15.2953 3.2641 3.2641 4.0440 4.0440 4.7097 4.7097 6.3296 6.3296 7.5964 7.5964 8.4318 8.4318 9.1036 9.1036 9.5542 9.5542 9.7860 9.7860 10.1622 10.1622 10.9235 10.9235 11.0167 11.0167 14.3528 14.3528 14.6387 14.6387 14.8451 14.8451 15.6104 15.6104 k =-0.2660 1.0524 0.5842 ( 3682 PWs) bands (ev): -48.6096 -48.6096 -48.6071 -48.6071 -23.0097 -23.0097 -22.9981 -22.9981 -15.4204 -15.4204 -15.4135 -15.4135 -15.3477 -15.3477 -15.2983 -15.2983 3.3082 3.3082 4.0969 4.0969 4.7709 4.7709 6.2441 6.2441 7.6466 7.6466 8.3374 8.3374 9.0514 9.0514 9.4831 9.4831 9.8115 9.8115 10.1399 10.1399 10.8743 10.8743 10.9720 10.9720 14.4187 14.4187 14.5785 14.5785 14.8846 14.8846 15.6662 15.6662 k =-0.2660 1.0524 0.6076 ( 3686 PWs) bands (ev): -48.6094 -48.6094 -48.6071 -48.6071 -23.0100 -23.0100 -22.9989 -22.9989 -15.4209 -15.4209 -15.4142 -15.4142 -15.3488 -15.3488 -15.3012 -15.3012 3.3540 3.3540 4.1511 4.1511 4.8336 4.8336 6.1586 6.1586 7.6848 7.6848 8.2576 8.2576 8.9763 8.9763 9.4260 9.4260 9.8446 9.8446 10.1182 10.1182 10.8291 10.8291 10.9299 10.9299 14.4757 14.4757 14.5257 14.5257 14.9308 14.9308 15.7195 15.7195 k =-0.2660 1.0524 0.6309 ( 3685 PWs) bands (ev): -48.6092 -48.6092 -48.6070 -48.6070 -23.0103 -23.0103 -22.9997 -22.9997 -15.4215 -15.4215 -15.4151 -15.4151 -15.3497 -15.3497 -15.3040 -15.3040 3.4013 3.4013 4.2062 4.2062 4.8978 4.8978 6.0735 6.0735 7.7010 7.7010 8.2024 8.2024 8.8813 8.8813 9.3867 9.3867 9.8772 9.8772 10.0970 10.0970 10.7880 10.7880 10.8910 10.8910 14.4476 14.4476 14.5590 14.5590 14.9819 14.9819 15.7701 15.7701 k =-0.2660 1.0524 0.6543 ( 3683 PWs) bands (ev): -48.6091 -48.6091 -48.6070 -48.6070 -23.0105 -23.0105 -23.0005 -23.0005 -15.4222 -15.4222 -15.4160 -15.4160 -15.3504 -15.3504 -15.3067 -15.3067 3.4503 3.4503 4.2621 4.2621 4.9631 4.9631 5.9893 5.9893 7.6851 7.6851 8.1820 8.1820 8.7728 8.7728 9.3612 9.3612 9.9055 9.9055 10.0768 10.0768 10.7512 10.7512 10.8559 10.8559 14.3932 14.3932 14.6211 14.6211 15.0372 15.0372 15.8178 15.8178 k =-0.2660 1.0524 0.6777 ( 3690 PWs) bands (ev): -48.6089 -48.6089 -48.6069 -48.6069 -23.0108 -23.0108 -23.0013 -23.0013 -15.4229 -15.4229 -15.4171 -15.4171 -15.3509 -15.3509 -15.3094 -15.3094 3.5009 3.5009 4.3183 4.3183 5.0293 5.0293 5.9065 5.9065 7.6371 7.6371 8.1962 8.1962 8.6572 8.6572 9.3446 9.3446 9.9261 9.9261 10.0583 10.0583 10.7191 10.7191 10.8253 10.8253 14.3423 14.3423 14.6825 14.6825 15.0961 15.0961 15.8626 15.8626 k =-0.2660 1.0524 0.7010 ( 3690 PWs) bands (ev): -48.6088 -48.6088 -48.6069 -48.6069 -23.0110 -23.0110 -23.0021 -23.0021 -15.4237 -15.4237 -15.4181 -15.4181 -15.3511 -15.3511 -15.3120 -15.3120 3.5530 3.5530 4.3743 4.3743 5.0960 5.0960 5.8256 5.8256 7.5673 7.5673 8.2335 8.2335 8.5398 8.5398 9.3338 9.3338 9.9363 9.9363 10.0428 10.0428 10.6915 10.6915 10.7996 10.7996 14.2973 14.2973 14.7409 14.7409 15.1585 15.1585 15.9043 15.9043 k =-0.2660 1.0524 0.7244 ( 3688 PWs) bands (ev): -48.6086 -48.6086 -48.6069 -48.6069 -23.0112 -23.0112 -23.0029 -23.0029 -15.4245 -15.4245 -15.4192 -15.4192 -15.3511 -15.3511 -15.3145 -15.3145 3.6066 3.6066 4.4295 4.4295 5.1628 5.1628 5.7474 5.7474 7.4865 7.4865 8.2748 8.2748 8.4319 8.4319 9.3267 9.3267 9.9345 9.9345 10.0307 10.0307 10.6684 10.6684 10.7792 10.7792 14.2596 14.2596 14.7948 14.7948 15.2241 15.2241 15.9430 15.9430 k =-0.2660 1.0524 0.7478 ( 3686 PWs) bands (ev): -48.6085 -48.6085 -48.6068 -48.6068 -23.0113 -23.0113 -23.0036 -23.0036 -15.4253 -15.4253 -15.4204 -15.4204 -15.3510 -15.3510 -15.3169 -15.3169 3.6617 3.6617 4.4829 4.4829 5.2291 5.2291 5.6729 5.6729 7.4017 7.4017 8.2504 8.2504 8.3979 8.3979 9.3220 9.3220 9.9225 9.9225 10.0201 10.0201 10.6496 10.6496 10.7640 10.7640 14.2299 14.2299 14.8425 14.8425 15.2926 15.2926 15.9788 15.9788 k =-0.2660 1.0524 0.7711 ( 3688 PWs) bands (ev): -48.6083 -48.6083 -48.6068 -48.6068 -23.0115 -23.0115 -23.0043 -23.0043 -15.4262 -15.4262 -15.4215 -15.4215 -15.3507 -15.3507 -15.3192 -15.3192 3.7182 3.7182 4.5332 4.5332 5.2941 5.2941 5.6034 5.6034 7.3171 7.3171 8.1459 8.1459 8.4496 8.4496 9.3188 9.3188 9.9037 9.9037 10.0078 10.0078 10.6348 10.6348 10.7533 10.7533 14.2092 14.2092 14.8821 14.8821 15.3639 15.3639 16.0123 16.0123 k =-0.2660 1.0524 0.7945 ( 3692 PWs) bands (ev): -48.6082 -48.6082 -48.6068 -48.6068 -23.0116 -23.0116 -23.0050 -23.0050 -15.4270 -15.4270 -15.4227 -15.4227 -15.3502 -15.3502 -15.3214 -15.3214 3.7760 3.7760 4.5786 4.5786 5.3566 5.3566 5.5408 5.5408 7.2356 7.2356 8.0296 8.0296 8.5174 8.5174 9.3166 9.3166 9.8811 9.8811 9.9918 9.9918 10.6237 10.6237 10.7462 10.7462 14.1978 14.1978 14.9114 14.9114 15.4377 15.4377 16.0444 16.0444 k =-0.2660 1.0524 0.8179 ( 3688 PWs) bands (ev): -48.6080 -48.6080 -48.6068 -48.6068 -23.0116 -23.0116 -23.0057 -23.0057 -15.4277 -15.4277 -15.4238 -15.4238 -15.3495 -15.3495 -15.3235 -15.3235 3.8352 3.8352 4.6169 4.6169 5.4143 5.4143 5.4887 5.4887 7.1595 7.1595 7.9128 7.9128 8.5891 8.5891 9.3147 9.3147 9.8562 9.8562 9.9720 9.9720 10.6161 10.6161 10.7414 10.7414 14.1962 14.1962 14.9285 14.9285 15.5138 15.5138 16.0765 16.0765 k =-0.2660 1.0524 0.8412 ( 3696 PWs) bands (ev): -48.6079 -48.6079 -48.6068 -48.6068 -23.0116 -23.0116 -23.0064 -23.0064 -15.4285 -15.4285 -15.4249 -15.4249 -15.3488 -15.3488 -15.3256 -15.3256 3.8956 3.8956 4.6449 4.6449 5.4358 5.4358 5.4796 5.4796 7.0909 7.0909 7.7977 7.7977 8.6622 8.6622 9.3125 9.3125 9.8301 9.8301 9.9494 9.9494 10.6117 10.6117 10.7376 10.7376 14.2045 14.2045 14.9319 14.9319 15.5921 15.5921 16.1095 16.1095 k =-0.2660 1.0524 0.8646 ( 3697 PWs) bands (ev): -48.6078 -48.6078 -48.6068 -48.6068 -23.0116 -23.0116 -23.0070 -23.0070 -15.4291 -15.4291 -15.4259 -15.4259 -15.3479 -15.3479 -15.3276 -15.3276 3.9570 3.9570 4.6596 4.6596 5.4120 5.4120 5.5238 5.5238 7.0322 7.0322 7.6855 7.6855 8.7351 8.7351 9.3093 9.3093 9.8030 9.8030 9.9254 9.9254 10.6103 10.6103 10.7339 10.7339 14.2226 14.2226 14.9211 14.9211 15.6720 15.6720 16.1439 16.1439 k =-0.2660 1.0524 0.8880 ( 3697 PWs) bands (ev): -48.6077 -48.6077 -48.6069 -48.6069 -23.0116 -23.0116 -23.0076 -23.0076 -15.4296 -15.4296 -15.4269 -15.4269 -15.3470 -15.3470 -15.3294 -15.3294 4.0195 4.0195 4.6587 4.6587 5.4009 5.4009 5.5630 5.5630 6.9858 6.9858 7.5769 7.5769 8.8070 8.8070 9.3044 9.3044 9.7756 9.7756 9.9014 9.9014 10.6115 10.6115 10.7294 10.7294 14.2501 14.2501 14.8965 14.8965 15.7530 15.7530 16.1792 16.1792 k =-0.2660 1.0524 0.9113 ( 3693 PWs) bands (ev): -48.6076 -48.6076 -48.6069 -48.6069 -23.0114 -23.0114 -23.0081 -23.0081 -15.4301 -15.4301 -15.4277 -15.4277 -15.3458 -15.3458 -15.3312 -15.3312 4.0827 4.0827 4.6418 4.6418 5.4055 5.4055 5.5922 5.5922 6.9540 6.9540 7.4726 7.4726 8.8770 8.8770 9.2968 9.2968 9.7484 9.7484 9.8791 9.8791 10.6151 10.6151 10.7237 10.7237 14.2864 14.2864 14.8595 14.8595 15.8343 15.8343 16.2131 16.2131 k =-0.2660 1.0524 0.9347 ( 3689 PWs) bands (ev): -48.6075 -48.6075 -48.6069 -48.6069 -23.0113 -23.0113 -23.0086 -23.0086 -15.4304 -15.4304 -15.4285 -15.4285 -15.3447 -15.3447 -15.3329 -15.3329 4.1465 4.1465 4.6107 4.6107 5.4239 5.4239 5.6094 5.6094 6.9388 6.9388 7.3736 7.3736 8.9442 8.9442 9.2851 9.2851 9.7226 9.7226 9.8596 9.8596 10.6205 10.6205 10.7169 10.7169 14.3306 14.3306 14.8122 14.8122 15.9146 15.9146 16.2420 16.2420 k =-0.2660 1.0524 0.9581 ( 3686 PWs) bands (ev): -48.6074 -48.6074 -48.6070 -48.6070 -23.0111 -23.0111 -23.0090 -23.0090 -15.4306 -15.4306 -15.4291 -15.4291 -15.3435 -15.3435 -15.3346 -15.3346 4.2106 4.2106 4.5683 4.5683 5.4521 5.4521 5.6137 5.6137 6.9415 6.9415 7.2809 7.2809 9.0078 9.0078 9.2681 9.2681 9.6997 9.6997 9.8437 9.8437 10.6273 10.6273 10.7092 10.7092 14.3818 14.3818 14.7569 14.7569 15.9916 15.9916 16.2612 16.2612 k =-0.2660 1.0524 0.9815 ( 3690 PWs) bands (ev): -48.6073 -48.6073 -48.6070 -48.6070 -23.0109 -23.0109 -23.0094 -23.0094 -15.4308 -15.4308 -15.4296 -15.4296 -15.3422 -15.3422 -15.3362 -15.3362 4.2746 4.2746 4.5177 4.5177 5.4858 5.4858 5.6055 5.6055 6.9618 6.9618 7.1958 7.1958 9.0663 9.0663 9.2448 9.2448 9.6815 9.6815 9.8321 9.8321 10.6344 10.6344 10.7014 10.7014 14.4385 14.4385 14.6963 14.6963 16.0618 16.0618 16.2667 16.2667 k =-0.2660 1.0524 1.0048 ( 3690 PWs) bands (ev): -48.6072 -48.6072 -48.6071 -48.6071 -23.0106 -23.0106 -23.0099 -23.0099 -15.4308 -15.4308 -15.4300 -15.4300 -15.3409 -15.3409 -15.3377 -15.3377 4.3377 4.3377 4.4618 4.4618 5.5207 5.5207 5.5867 5.5867 6.9985 6.9985 7.1203 7.1203 9.1177 9.1177 9.2155 9.2155 9.6698 9.6698 9.8250 9.8250 10.6404 10.6404 10.6951 10.6951 14.4987 14.4987 14.6334 14.6334 16.1182 16.1182 16.2585 16.2585 k =-0.2660 1.0524 1.0282 ( 3692 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0103 -23.0103 -23.0102 -23.0102 -15.4308 -15.4308 -15.4301 -15.4301 -15.3399 -15.3399 -15.3388 -15.3388 4.3902 4.3902 4.4115 4.4115 5.5450 5.5450 5.5679 5.5679 7.0380 7.0380 7.0679 7.0679 9.1482 9.1482 9.1926 9.1926 9.6658 9.6658 9.8227 9.8227 10.6429 10.6429 10.6925 10.6925 14.5468 14.5468 14.5843 14.5843 16.1432 16.1432 16.2501 16.2501 k =-0.2660 1.0524 1.0282 ( 3692 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0103 -23.0103 -23.0102 -23.0102 -15.4308 -15.4308 -15.4301 -15.4301 -15.3399 -15.3399 -15.3388 -15.3388 4.3902 4.3902 4.4115 4.4115 5.5450 5.5450 5.5679 5.5679 7.0380 7.0380 7.0679 7.0679 9.1482 9.1482 9.1926 9.1926 9.6658 9.6658 9.8227 9.8227 10.6429 10.6429 10.6925 10.6925 14.5468 14.5468 14.5843 14.5843 16.1432 16.1432 16.2501 16.2501 k =-0.2718 1.0293 1.0282 ( 3684 PWs) bands (ev): -48.6071 -48.6071 -48.6071 -48.6071 -23.0101 -23.0101 -23.0100 -23.0100 -15.4302 -15.4302 -15.4295 -15.4295 -15.3398 -15.3398 -15.3387 -15.3387 4.3861 4.3861 4.4097 4.4097 5.5060 5.5060 5.5372 5.5372 7.0706 7.0706 7.0901 7.0901 9.1860 9.1860 9.2229 9.2229 9.6773 9.6773 9.8277 9.8277 10.6306 10.6306 10.6870 10.6870 14.4983 14.4983 14.5323 14.5323 16.1571 16.1571 16.2982 16.2982 k =-0.2777 1.0061 1.0282 ( 3684 PWs) bands (ev): -48.6072 -48.6072 -48.6072 -48.6072 -23.0100 -23.0100 -23.0098 -23.0098 -15.4294 -15.4294 -15.4289 -15.4289 -15.3397 -15.3397 -15.3386 -15.3386 4.3808 4.3808 4.4067 4.4067 5.4577 5.4577 5.4958 5.4958 7.1167 7.1167 7.1275 7.1275 9.2242 9.2242 9.2526 9.2526 9.6905 9.6905 9.8339 9.8339 10.6162 10.6162 10.6794 10.6794 14.4549 14.4549 14.4859 14.4859 16.1567 16.1567 16.3253 16.3253 k =-0.2835 0.9830 1.0282 ( 3688 PWs) bands (ev): -48.6072 -48.6072 -48.6072 -48.6072 -23.0098 -23.0098 -23.0096 -23.0096 -15.4285 -15.4285 -15.4281 -15.4281 -15.3396 -15.3396 -15.3385 -15.3385 4.3746 4.3746 4.4025 4.4025 5.4019 5.4019 5.4454 5.4454 7.1744 7.1744 7.1781 7.1781 9.2627 9.2627 9.2816 9.2816 9.7055 9.7055 9.8412 9.8412 10.5991 10.5991 10.6691 10.6691 14.4180 14.4180 14.4466 14.4466 16.1455 16.1455 16.3332 16.3332 k =-0.2894 0.9598 1.0282 ( 3684 PWs) bands (ev): -48.6073 -48.6073 -48.6073 -48.6073 -23.0096 -23.0096 -23.0093 -23.0093 -15.4273 -15.4273 -15.4270 -15.4270 -15.3395 -15.3395 -15.3384 -15.3384 4.3675 4.3675 4.3974 4.3974 5.3404 5.3404 5.3879 5.3879 7.2403 7.2403 7.2419 7.2419 9.3014 9.3014 9.3098 9.3098 9.7224 9.7224 9.8498 9.8498 10.5792 10.5792 10.6558 10.6558 14.3889 14.3889 14.4157 14.4157 16.1269 16.1269 16.3265 16.3265 k =-0.2952 0.9367 1.0282 ( 3692 PWs) bands (ev): -48.6073 -48.6073 -48.6073 -48.6073 -23.0093 -23.0093 -23.0091 -23.0091 -15.4261 -15.4261 -15.4259 -15.4259 -15.3394 -15.3394 -15.3383 -15.3383 4.3596 4.3596 4.3912 4.3912 5.2747 5.2747 5.3248 5.3248 7.3120 7.3120 7.3178 7.3178 9.3373 9.3373 9.3401 9.3401 9.7412 9.7412 9.8597 9.8597 10.5563 10.5563 10.6391 10.6391 14.3681 14.3681 14.3938 14.3938 16.1037 16.1037 16.3095 16.3095 k =-0.3011 0.9135 1.0282 ( 3696 PWs) bands (ev): -48.6074 -48.6074 -48.6074 -48.6074 -23.0091 -23.0091 -23.0088 -23.0088 -15.4248 -15.4248 -15.4246 -15.4246 -15.3393 -15.3393 -15.3382 -15.3382 4.3511 4.3511 4.3842 4.3842 5.2061 5.2061 5.2577 5.2577 7.3919 7.3919 7.4005 7.4005 9.3639 9.3639 9.3787 9.3787 9.7619 9.7619 9.8711 9.8711 10.5304 10.5304 10.6191 10.6191 14.3561 14.3561 14.3814 14.3814 16.0778 16.0778 16.2847 16.2847 k =-0.3069 0.8904 1.0282 ( 3692 PWs) bands (ev): -48.6074 -48.6074 -48.6074 -48.6074 -23.0087 -23.0087 -23.0084 -23.0084 -15.4233 -15.4233 -15.4232 -15.4232 -15.3391 -15.3391 -15.3379 -15.3379 4.3420 4.3420 4.3764 4.3764 5.1357 5.1357 5.1879 5.1879 7.4784 7.4784 7.4889 7.4889 9.3895 9.3895 9.4169 9.4169 9.7846 9.7846 9.8839 9.8839 10.5019 10.5019 10.5958 10.5958 14.3533 14.3533 14.3789 14.3789 16.0503 16.0503 16.2519 16.2519 k =-0.3128 0.8672 1.0282 ( 3696 PWs) bands (ev): -48.6075 -48.6075 -48.6075 -48.6075 -23.0083 -23.0083 -23.0080 -23.0080 -15.4218 -15.4218 -15.4217 -15.4217 -15.3388 -15.3388 -15.3376 -15.3376 4.3324 4.3324 4.3677 4.3677 5.0643 5.0643 5.1163 5.1163 7.5706 7.5706 7.5821 7.5821 9.4142 9.4142 9.4543 9.4543 9.8091 9.8091 9.8982 9.8982 10.4712 10.4712 10.5696 10.5696 14.3596 14.3596 14.3862 14.3862 16.0220 16.0220 16.2084 16.2084 k =-0.3186 0.8441 1.0282 ( 3688 PWs) bands (ev): -48.6076 -48.6076 -48.6076 -48.6076 -23.0079 -23.0079 -23.0075 -23.0075 -15.4202 -15.4202 -15.4201 -15.4201 -15.3384 -15.3384 -15.3372 -15.3372 4.3224 4.3224 4.3583 4.3583 4.9927 4.9927 5.0438 5.0438 7.6674 7.6674 7.6793 7.6793 9.4377 9.4377 9.4906 9.4906 9.8352 9.8352 9.9138 9.9138 10.4392 10.4392 10.5411 10.5411 14.3748 14.3748 14.4032 14.4032 15.9929 15.9929 16.1524 16.1524 k =-0.3245 0.8209 1.0282 ( 3676 PWs) bands (ev): -48.6077 -48.6077 -48.6077 -48.6077 -23.0074 -23.0074 -23.0070 -23.0070 -15.4185 -15.4185 -15.4184 -15.4184 -15.3379 -15.3379 -15.3367 -15.3367 4.3120 4.3120 4.3481 4.3481 4.9215 4.9215 4.9711 4.9711 7.7680 7.7680 7.7798 7.7798 9.4599 9.4599 9.5254 9.5254 9.8627 9.8627 9.9303 9.9303 10.4071 10.4071 10.5111 10.5111 14.3986 14.3986 14.4296 14.4296 15.9625 15.9625 16.0859 16.0859 k =-0.3303 0.7978 1.0282 ( 3672 PWs) bands (ev): -48.6077 -48.6077 -48.6077 -48.6077 -23.0069 -23.0069 -23.0065 -23.0065 -15.4168 -15.4168 -15.4167 -15.4167 -15.3374 -15.3374 -15.3361 -15.3361 4.3012 4.3012 4.3370 4.3370 4.8512 4.8512 4.8986 4.8986 7.8717 7.8717 7.8828 7.8828 9.4809 9.4809 9.5581 9.5581 9.8909 9.8909 9.9469 9.9469 10.3769 10.3769 10.4809 10.4809 14.4305 14.4305 14.4647 14.4647 15.9297 15.9297 16.0123 16.0123 k =-0.3362 0.7746 1.0282 ( 3668 PWs) bands (ev): -48.6078 -48.6078 -48.6078 -48.6078 -23.0064 -23.0064 -23.0060 -23.0060 -15.4152 -15.4152 -15.4150 -15.4150 -15.3368 -15.3368 -15.3355 -15.3355 4.2901 4.2901 4.3251 4.3251 4.7823 4.7823 4.8269 4.8269 7.9779 7.9779 7.9880 7.9880 9.5003 9.5003 9.5880 9.5880 9.9189 9.9189 9.9623 9.9623 10.3510 10.3510 10.4523 10.4523 14.4700 14.4700 14.5080 14.5080 15.8925 15.8925 15.9339 15.9339 k =-0.3420 0.7515 1.0282 ( 3672 PWs) bands (ev): -48.6079 -48.6079 -48.6079 -48.6079 -23.0059 -23.0059 -23.0055 -23.0055 -15.4136 -15.4136 -15.4133 -15.4133 -15.3360 -15.3360 -15.3347 -15.3347 4.2786 4.2786 4.3121 4.3121 4.7153 4.7153 4.7564 4.7564 8.0858 8.0858 8.0947 8.0947 9.5181 9.5181 9.6145 9.6145 9.9453 9.9453 9.9745 9.9745 10.3328 10.3328 10.4274 10.4274 14.5165 14.5165 14.5589 14.5589 15.8485 15.8485 15.8518 15.8518 k =-0.3479 0.7283 1.0282 ( 3672 PWs) bands (ev): -48.6080 -48.6080 -48.6080 -48.6080 -23.0054 -23.0054 -23.0049 -23.0049 -15.4120 -15.4120 -15.4117 -15.4117 -15.3352 -15.3352 -15.3339 -15.3339 4.2668 4.2668 4.2980 4.2980 4.6506 4.6506 4.6873 4.6873 8.1950 8.1950 8.2022 8.2022 9.5341 9.5341 9.6366 9.6366 9.9683 9.9683 9.9813 9.9813 10.3261 10.3261 10.4090 10.4090 14.5692 14.5692 14.6164 14.6164 15.7666 15.7666 15.7955 15.7955 k =-0.3537 0.7052 1.0282 ( 3668 PWs) bands (ev): -48.6081 -48.6081 -48.6081 -48.6081 -23.0048 -23.0048 -23.0044 -23.0044 -15.4104 -15.4104 -15.4101 -15.4101 -15.3342 -15.3342 -15.3328 -15.3328 4.2547 4.2547 4.2823 4.2823 4.5889 4.5889 4.6201 4.6201 8.3046 8.3046 8.3101 8.3101 9.5481 9.5481 9.6534 9.6534 9.9819 9.9819 9.9857 9.9857 10.3335 10.3335 10.4004 10.4004 14.6275 14.6275 14.6799 14.6799 15.6787 15.6787 15.7325 15.7325 k =-0.3596 0.6820 1.0282 ( 3670 PWs) bands (ev): -48.6082 -48.6082 -48.6082 -48.6082 -23.0043 -23.0043 -23.0038 -23.0038 -15.4089 -15.4089 -15.4087 -15.4087 -15.3330 -15.3330 -15.3317 -15.3317 4.2419 4.2419 4.2645 4.2645 4.5308 4.5308 4.5552 4.5552 8.4139 8.4139 8.4176 8.4176 9.5600 9.5600 9.6637 9.6637 9.9780 9.9780 9.9960 9.9960 10.3555 10.3555 10.4042 10.4042 14.6904 14.6904 14.7484 14.7484 15.5881 15.5881 15.6600 15.6600 k =-0.3654 0.6589 1.0282 ( 3666 PWs) bands (ev): -48.6083 -48.6083 -48.6083 -48.6083 -23.0037 -23.0037 -23.0032 -23.0032 -15.4076 -15.4076 -15.4073 -15.4073 -15.3317 -15.3317 -15.3303 -15.3303 4.2284 4.2284 4.2439 4.2439 4.4773 4.4773 4.4929 4.4929 8.5218 8.5218 8.5239 8.5239 9.5696 9.5696 9.6662 9.6662 9.9733 9.9733 9.9992 9.9992 10.3902 10.3902 10.4218 10.4218 14.7574 14.7574 14.8211 14.8211 15.4950 15.4950 15.5795 15.5795 k =-0.3713 0.6357 1.0282 ( 3668 PWs) bands (ev): -48.6084 -48.6084 -48.6084 -48.6084 -23.0031 -23.0031 -23.0027 -23.0027 -15.4063 -15.4063 -15.4060 -15.4060 -15.3303 -15.3303 -15.3289 -15.3289 4.2137 4.2137 4.2197 4.2197 4.4294 4.4294 4.4340 4.4340 8.6273 8.6273 8.6278 8.6278 9.5769 9.5769 9.6607 9.6607 9.9719 9.9719 9.9974 9.9974 10.4355 10.4355 10.4522 10.4522 14.8274 14.8274 14.8970 14.8970 15.3996 15.3996 15.4925 15.4925 k =-0.3771 0.6125 1.0282 ( 3672 PWs) bands (ev): -48.6085 -48.6085 -48.6085 -48.6085 -23.0026 -23.0026 -23.0022 -23.0022 -15.4052 -15.4052 -15.4049 -15.4049 -15.3288 -15.3288 -15.3274 -15.3274 4.1911 4.1911 4.1970 4.1970 4.3794 4.3794 4.3881 4.3881 8.7282 8.7282 8.7286 8.7286 9.5822 9.5822 9.6481 9.6481 9.9761 9.9761 9.9939 9.9939 10.4891 10.4891 10.4937 10.4937 14.8995 14.8995 14.9752 14.9752 15.3021 15.3021 15.4003 15.4003 k =-0.3830 0.5894 1.0282 ( 3682 PWs) bands (ev): -48.6086 -48.6086 -48.6086 -48.6086 -23.0021 -23.0021 -23.0017 -23.0017 -15.4043 -15.4043 -15.4040 -15.4040 -15.3271 -15.3271 -15.3258 -15.3258 4.1580 4.1580 4.1768 4.1768 4.3306 4.3306 4.3537 4.3537 8.8231 8.8231 8.8238 8.8238 9.5864 9.5864 9.6310 9.6310 9.9867 9.9867 9.9922 9.9922 10.5440 10.5440 10.5495 10.5495 14.9717 14.9717 15.0546 15.0546 15.2038 15.2038 15.3039 15.3039 k =-0.3888 0.5662 1.0282 ( 3670 PWs) bands (ev): -48.6087 -48.6087 -48.6087 -48.6087 -23.0015 -23.0015 -23.0010 -23.0010 -15.4033 -15.4033 -15.4030 -15.4030 -15.3253 -15.3253 -15.3239 -15.3239 4.1210 4.1210 4.1516 4.1516 4.2895 4.2895 4.3255 4.3255 8.9099 8.9099 8.9103 8.9103 9.5912 9.5912 9.6129 9.6129 9.9950 9.9950 10.0037 10.0037 10.6015 10.6015 10.6158 10.6158 15.0317 15.0317 15.1163 15.1163 15.1322 15.1322 15.2061 15.2061 k =-0.3947 0.5431 1.0282 ( 3674 PWs) bands (ev): -48.6088 -48.6088 -48.6088 -48.6088 -23.0009 -23.0009 -23.0005 -23.0005 -15.4026 -15.4026 -15.4023 -15.4023 -15.3234 -15.3234 -15.3220 -15.3220 4.0815 4.0815 4.1201 4.1201 4.2573 4.2573 4.3023 4.3023 8.9837 8.9837 8.9865 8.9865 9.5978 9.5978 9.5988 9.5988 10.0044 10.0044 10.0268 10.0268 10.6649 10.6649 10.6872 10.6872 14.9791 14.9791 15.0955 15.0955 15.1394 15.1394 15.2192 15.2192 k =-0.4005 0.5199 1.0282 ( 3678 PWs) bands (ev): -48.6089 -48.6089 -48.6089 -48.6089 -23.0004 -23.0004 -23.0000 -23.0000 -15.4020 -15.4020 -15.4017 -15.4017 -15.3214 -15.3214 -15.3201 -15.3201 4.0410 4.0410 4.0833 4.0833 4.2333 4.2333 4.2828 4.2828 9.0418 9.0418 9.0481 9.0481 9.5898 9.5898 9.6117 9.6117 10.0222 10.0222 10.0558 10.0558 10.7335 10.7335 10.7632 10.7632 14.8758 14.8758 14.9896 14.9896 15.2107 15.2107 15.2975 15.2975 k =-0.4064 0.4968 1.0282 ( 3680 PWs) bands (ev): -48.6090 -48.6090 -48.6090 -48.6090 -22.9999 -22.9999 -22.9995 -22.9995 -15.4014 -15.4014 -15.4012 -15.4012 -15.3194 -15.3194 -15.3181 -15.3181 4.0006 4.0006 4.0435 4.0435 4.2152 4.2152 4.2659 4.2659 9.0820 9.0820 9.0917 9.0917 9.5924 9.5924 9.6310 9.6310 10.0495 10.0495 10.0909 10.0909 10.8068 10.8068 10.8434 10.8434 14.7667 14.7667 14.8798 14.8798 15.2846 15.2846 15.3754 15.3754 k =-0.4122 0.4736 1.0282 ( 3684 PWs) bands (ev): -48.6091 -48.6091 -48.6091 -48.6091 -22.9994 -22.9994 -22.9990 -22.9990 -15.4010 -15.4010 -15.4008 -15.4008 -15.3173 -15.3173 -15.3161 -15.3161 3.9611 3.9611 4.0029 4.0029 4.2009 4.2009 4.2510 4.2510 9.1045 9.1045 9.1160 9.1160 9.6063 9.6063 9.6556 9.6556 10.0874 10.0874 10.1325 10.1325 10.8843 10.8843 10.9277 10.9277 14.6546 14.6546 14.7672 14.7672 15.3580 15.3580 15.4517 15.4517 k =-0.4181 0.4505 1.0282 ( 3696 PWs) bands (ev): -48.6092 -48.6092 -48.6092 -48.6092 -22.9990 -22.9990 -22.9986 -22.9986 -15.4007 -15.4007 -15.4005 -15.4005 -15.3153 -15.3153 -15.3141 -15.3141 3.9232 3.9232 3.9629 3.9629 4.1892 4.1892 4.2375 4.2375 9.1120 9.1120 9.1232 9.1232 9.6292 9.6292 9.6826 9.6826 10.1359 10.1359 10.1805 10.1805 10.9659 10.9659 11.0159 11.0159 14.5401 14.5401 14.6521 14.6521 15.4296 15.4296 15.5258 15.5258 k =-0.4239 0.4273 1.0282 ( 3708 PWs) bands (ev): -48.6093 -48.6093 -48.6093 -48.6093 -22.9986 -22.9986 -22.9982 -22.9982 -15.4005 -15.4005 -15.4003 -15.4003 -15.3133 -15.3133 -15.3121 -15.3121 3.8872 3.8872 3.9244 3.9244 4.1793 4.1793 4.2252 4.2252 9.1083 9.1083 9.1177 9.1177 9.6569 9.6569 9.7089 9.7089 10.1939 10.1939 10.2346 10.2346 11.0515 11.0515 11.1077 11.1077 14.4236 14.4236 14.5348 14.5348 15.4986 15.4986 15.5973 15.5973 k =-0.4298 0.4042 1.0282 ( 3712 PWs) bands (ev): -48.6094 -48.6094 -48.6094 -48.6094 -22.9982 -22.9982 -22.9978 -22.9978 -15.4004 -15.4004 -15.4002 -15.4002 -15.3113 -15.3113 -15.3102 -15.3102 3.8533 3.8533 3.8878 3.8878 4.1707 4.1707 4.2139 4.2139 9.0972 9.0972 9.1040 9.1040 9.6853 9.6853 9.7326 9.7326 10.2592 10.2592 10.2937 10.2937 11.1409 11.1409 11.2029 11.2029 14.3054 14.3054 14.4156 14.4156 15.5640 15.5640 15.6654 15.6654 k =-0.4356 0.3810 1.0282 ( 3716 PWs) bands (ev): -48.6095 -48.6095 -48.6095 -48.6095 -22.9978 -22.9978 -22.9975 -22.9975 -15.4003 -15.4003 -15.4001 -15.4001 -15.3093 -15.3093 -15.3083 -15.3083 3.8218 3.8218 3.8535 3.8535 4.1632 4.1632 4.2034 4.2034 9.0815 9.0815 9.0858 9.0858 9.7119 9.7119 9.7530 9.7530 10.3290 10.3290 10.3562 10.3562 11.2341 11.2341 11.3014 11.3014 14.1858 14.1858 14.2948 14.2948 15.6242 15.6242 15.7290 15.7290 k =-0.4415 0.3579 1.0282 ( 3712 PWs) bands (ev): -48.6096 -48.6096 -48.6096 -48.6096 -22.9973 -22.9973 -22.9970 -22.9970 -15.4002 -15.4002 -15.4000 -15.4000 -15.3074 -15.3074 -15.3065 -15.3065 3.7929 3.7929 3.8217 3.8217 4.1566 4.1566 4.1937 4.1937 9.0633 9.0633 9.0654 9.0654 9.7356 9.7356 9.7701 9.7701 10.4005 10.4005 10.4205 10.4205 11.3308 11.3308 11.4029 11.4029 14.0652 14.0652 14.1728 14.1728 15.6771 15.6771 15.7854 15.7854 k =-0.4473 0.3347 1.0282 ( 3704 PWs) bands (ev): -48.6096 -48.6096 -48.6096 -48.6096 -22.9969 -22.9969 -22.9966 -22.9966 -15.4001 -15.4001 -15.3999 -15.3999 -15.3056 -15.3056 -15.3047 -15.3047 3.7666 3.7666 3.7925 3.7925 4.1510 4.1510 4.1847 4.1847 9.0443 9.0443 9.0446 9.0446 9.7561 9.7561 9.7844 9.7844 10.4710 10.4710 10.4846 10.4846 11.4308 11.4308 11.5068 11.5068 13.9442 13.9442 14.0499 14.0499 15.7194 15.7194 15.8287 15.8287 k =-0.4532 0.3116 1.0282 ( 3696 PWs) bands (ev): -48.6097 -48.6097 -48.6097 -48.6097 -22.9965 -22.9965 -22.9963 -22.9963 -15.4000 -15.4000 -15.3999 -15.3999 -15.3040 -15.3040 -15.3031 -15.3031 3.7430 3.7430 3.7661 3.7661 4.1462 4.1462 4.1765 4.1765 9.0245 9.0245 9.0254 9.0254 9.7734 9.7734 9.7963 9.7963 10.5386 10.5386 10.5467 10.5467 11.5335 11.5335 11.6125 11.6125 13.8234 13.8234 13.9269 13.9269 15.7471 15.7471 15.8481 15.8481 k =-0.4590 0.2884 1.0282 ( 3696 PWs) bands (ev): -48.6097 -48.6097 -48.6097 -48.6097 -22.9962 -22.9962 -22.9960 -22.9960 -15.4000 -15.4000 -15.3999 -15.3999 -15.3025 -15.3025 -15.3017 -15.3017 3.7223 3.7223 3.7424 3.7424 4.1423 4.1423 4.1690 4.1690 9.0057 9.0057 9.0074 9.0074 9.7879 9.7879 9.8061 9.8061 10.6014 10.6014 10.6053 10.6053 11.6383 11.6383 11.7190 11.7190 13.7038 13.7038 13.8045 13.8045 15.7574 15.7574 15.8381 15.8381 k =-0.4649 0.2653 1.0282 ( 3708 PWs) bands (ev): -48.6098 -48.6098 -48.6098 -48.6098 -22.9960 -22.9960 -22.9958 -22.9958 -15.4000 -15.4000 -15.4000 -15.4000 -15.3012 -15.3012 -15.3006 -15.3006 3.7044 3.7044 3.7216 3.7216 4.1391 4.1391 4.1622 4.1622 8.9887 8.9887 8.9909 8.9909 9.7999 9.7999 9.8142 9.8142 10.6581 10.6581 10.6590 10.6590 11.7440 11.7440 11.8250 11.8250 13.5868 13.5868 13.6837 13.6837 15.7517 15.7517 15.8092 15.8092 k =-0.4707 0.2421 1.0282 ( 3724 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9959 -22.9959 -22.9957 -22.9957 -15.4001 -15.4001 -15.4001 -15.4001 -15.3001 -15.3001 -15.2996 -15.2996 3.6894 3.6894 3.7038 3.7038 4.1368 4.1368 4.1561 4.1561 8.9740 8.9740 8.9763 8.9763 9.8097 9.8097 9.8207 9.8207 10.7065 10.7065 10.7075 10.7075 11.8491 11.8491 11.9283 11.9283 13.4745 13.4745 13.5660 13.5660 15.7352 15.7352 15.7741 15.7741 k =-0.4766 0.2190 1.0282 ( 3724 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9957 -22.9957 -22.9956 -22.9956 -15.4002 -15.4002 -15.4001 -15.4001 -15.2991 -15.2991 -15.2987 -15.2987 3.6773 3.6773 3.6888 3.6888 4.1352 4.1352 4.1508 4.1508 8.9618 8.9618 8.9639 8.9639 9.8175 9.8175 9.8257 9.8257 10.7469 10.7469 10.7490 10.7490 11.9512 11.9512 12.0258 12.0258 13.3698 13.3698 13.4538 13.4538 15.7144 15.7144 15.7401 15.7401 k =-0.4824 0.1958 1.0282 ( 3724 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9955 -22.9955 -22.9954 -22.9954 -15.4002 -15.4002 -15.4001 -15.4001 -15.2983 -15.2983 -15.2980 -15.2980 3.6682 3.6682 3.6769 3.6769 4.1344 4.1344 4.1462 4.1462 8.9523 8.9523 8.9540 8.9540 9.8235 9.8235 9.8293 9.8293 10.7795 10.7795 10.7817 10.7817 12.0467 12.0467 12.1125 12.1125 13.2779 13.2779 13.3504 13.3504 15.6944 15.6944 15.7107 15.7107 k =-0.4883 0.1727 1.0282 ( 3724 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9954 -22.9954 -22.9954 -22.9954 -15.4002 -15.4002 -15.4002 -15.4002 -15.2978 -15.2978 -15.2976 -15.2976 3.6622 3.6622 3.6679 3.6679 4.1345 4.1345 4.1423 4.1423 8.9455 8.9455 8.9467 8.9467 9.8280 9.8280 9.8317 9.8317 10.8034 10.8034 10.8052 10.8052 12.1300 12.1300 12.1810 12.1810 13.2060 13.2060 13.2613 13.2613 15.6785 15.6785 15.6881 15.6881 k =-0.4941 0.1495 1.0282 ( 3724 PWs) bands (ev): -48.6100 -48.6100 -48.6100 -48.6100 -22.9954 -22.9954 -22.9953 -22.9953 -15.4002 -15.4002 -15.4002 -15.4002 -15.2974 -15.2974 -15.2973 -15.2973 3.6591 3.6591 3.6619 3.6619 4.1353 4.1353 4.1392 4.1392 8.9415 8.9415 8.9421 8.9421 9.8310 9.8310 9.8328 9.8328 10.8181 10.8181 10.8192 10.8192 12.1930 12.1930 12.2215 12.2215 13.1638 13.1638 13.1944 13.1944 15.6689 15.6689 15.6734 15.6734 k =-0.5000 0.1264 1.0282 ( 3724 PWs) bands (ev): -48.6100 -48.6100 -48.6100 -48.6100 -22.9953 -22.9953 -22.9953 -22.9953 -15.4002 -15.4002 -15.4002 -15.4002 -15.2972 -15.2972 -15.2972 -15.2972 3.6590 3.6590 3.6590 3.6590 4.1368 4.1368 4.1368 4.1368 8.9404 8.9404 8.9404 8.9404 9.8325 9.8325 9.8325 9.8325 10.8235 10.8235 10.8235 10.8235 12.2259 12.2259 12.2259 12.2259 13.1596 13.1596 13.1596 13.1596 15.6670 15.6670 15.6670 15.6670 k =-0.5000 0.1264 1.0282 ( 3724 PWs) bands (ev): -48.6100 -48.6100 -48.6100 -48.6100 -22.9953 -22.9953 -22.9953 -22.9953 -15.4002 -15.4002 -15.4002 -15.4002 -15.2972 -15.2972 -15.2972 -15.2972 3.6590 3.6590 3.6590 3.6590 4.1368 4.1368 4.1368 4.1368 8.9404 8.9404 8.9404 8.9404 9.8325 9.8325 9.8325 9.8325 10.8235 10.8235 10.8235 10.8235 12.2259 12.2259 12.2259 12.2259 13.1596 13.1596 13.1596 13.1596 15.6670 15.6670 15.6670 15.6670 k =-0.5000 0.1264 1.0048 ( 3726 PWs) bands (ev): -48.6100 -48.6100 -48.6099 -48.6099 -22.9957 -22.9957 -22.9950 -22.9950 -15.4010 -15.4010 -15.3992 -15.3992 -15.2979 -15.2979 -15.2966 -15.2966 3.5623 3.5623 3.7364 3.7364 4.0618 4.0618 4.2345 4.2345 8.8581 8.8581 9.0173 9.0173 9.7850 9.7850 9.8875 9.8875 10.8029 10.8029 10.8468 10.8468 12.1335 12.1335 12.3189 12.3189 13.0663 13.0663 13.2552 13.2552 15.6463 15.6463 15.6812 15.6812 k =-0.5000 0.1264 0.9815 ( 3728 PWs) bands (ev): -48.6101 -48.6101 -48.6098 -48.6098 -22.9959 -22.9959 -22.9946 -22.9946 -15.4015 -15.4015 -15.3979 -15.3979 -15.2986 -15.2986 -15.2961 -15.2961 3.4603 3.4603 3.7558 3.7558 4.0485 4.0485 4.3409 4.3409 8.7730 8.7730 9.0848 9.0848 9.7485 9.7485 9.9474 9.9474 10.7851 10.7851 10.8729 10.8729 12.0422 12.0422 12.4122 12.4122 12.9758 12.9758 13.3528 13.3528 15.6217 15.6217 15.6855 15.6855 k =-0.5000 0.1264 0.9581 ( 3732 PWs) bands (ev): -48.6102 -48.6102 -48.6098 -48.6098 -22.9962 -22.9962 -22.9942 -22.9942 -15.4018 -15.4018 -15.3964 -15.3964 -15.2993 -15.2993 -15.2955 -15.2955 3.3574 3.3574 3.7016 3.7016 4.1123 4.1123 4.4514 4.4514 8.6867 8.6867 9.1374 9.1374 9.7284 9.7284 10.0109 10.0109 10.7699 10.7699 10.9018 10.9018 11.9521 11.9521 12.5045 12.5045 12.8893 12.8893 13.4523 13.4523 15.5948 15.5948 15.6759 15.6759 k =-0.5000 0.1264 0.9347 ( 3720 PWs) bands (ev): -48.6103 -48.6103 -48.6097 -48.6097 -22.9963 -22.9963 -22.9936 -22.9936 -15.4018 -15.4018 -15.3946 -15.3946 -15.2999 -15.2999 -15.2949 -15.2949 3.2550 3.2550 3.6156 3.6156 4.2117 4.2117 4.5644 4.5644 8.6004 8.6004 9.1689 9.1689 9.7307 9.7307 10.0770 10.0770 10.7574 10.7574 10.9336 10.9336 11.8634 11.8634 12.5914 12.5914 12.8112 12.8112 13.5535 13.5535 15.5668 15.5668 15.6492 15.6492 k =-0.5000 0.1264 0.9113 ( 3720 PWs) bands (ev): -48.6104 -48.6104 -48.6097 -48.6097 -22.9964 -22.9964 -22.9931 -22.9931 -15.4017 -15.4017 -15.3926 -15.3926 -15.3006 -15.3006 -15.2944 -15.2944 3.1540 3.1540 3.5202 3.5202 4.3241 4.3241 4.6790 4.6790 8.5149 8.5149 9.1762 9.1762 9.7581 9.7581 10.1449 10.1449 10.7474 10.7474 10.9683 10.9683 11.7762 11.7762 12.6428 12.6428 12.7716 12.7716 13.6564 13.6564 15.5377 15.5377 15.6037 15.6037 k =-0.5000 0.1264 0.8880 ( 3706 PWs) bands (ev): -48.6105 -48.6105 -48.6097 -48.6097 -22.9963 -22.9963 -22.9924 -22.9924 -15.4012 -15.4012 -15.3903 -15.3903 -15.3012 -15.3012 -15.2938 -15.2938 3.0547 3.0547 3.4224 3.4224 4.4429 4.4429 4.7946 4.7946 8.4310 8.4310 9.1621 9.1621 9.8075 9.8075 10.2143 10.2143 10.7399 10.7399 11.0059 11.0059 11.6906 11.6906 12.6023 12.6023 12.8268 12.8268 13.7607 13.7607 15.5050 15.5050 15.5420 15.5420 k =-0.5000 0.1264 0.8646 ( 3706 PWs) bands (ev): -48.6106 -48.6106 -48.6096 -48.6096 -22.9964 -22.9964 -22.9918 -22.9918 -15.4006 -15.4006 -15.3879 -15.3879 -15.3019 -15.3019 -15.2934 -15.2934 2.9573 2.9573 3.3242 3.3242 4.5657 4.5657 4.9108 4.9108 8.3493 8.3493 9.1325 9.1325 9.8726 9.8726 10.2847 10.2847 10.7348 10.7348 11.0463 11.0463 11.6068 11.6068 12.5320 12.5320 12.9150 12.9150 13.8665 13.8665 15.4502 15.4502 15.4827 15.4827 k =-0.5000 0.1264 0.8412 ( 3698 PWs) bands (ev): -48.6107 -48.6107 -48.6096 -48.6096 -22.9964 -22.9964 -22.9910 -22.9910 -15.3998 -15.3998 -15.3852 -15.3852 -15.3025 -15.3025 -15.2929 -15.2929 2.8619 2.8619 3.2269 3.2269 4.6916 4.6916 5.0270 5.0270 8.2703 8.2703 9.0932 9.0932 9.9471 9.9471 10.3558 10.3558 10.7321 10.7321 11.0896 11.0896 11.5249 11.5249 12.4594 12.4594 13.0085 13.0085 13.9735 13.9735 15.3638 15.3638 15.4304 15.4304 k =-0.5000 0.1264 0.8179 ( 3706 PWs) bands (ev): -48.6109 -48.6109 -48.6096 -48.6096 -22.9963 -22.9963 -22.9905 -22.9905 -15.3988 -15.3988 -15.3824 -15.3824 -15.3032 -15.3032 -15.2926 -15.2926 2.7686 2.7686 3.1309 3.1309 4.8200 4.8200 5.1428 5.1428 8.1947 8.1947 9.0482 9.0482 10.0266 10.0266 10.4273 10.4273 10.7317 10.7317 11.1355 11.1355 11.4452 11.4452 12.3888 12.3888 13.1033 13.1033 14.0816 14.0816 15.2673 15.2673 15.3568 15.3568 k =-0.5000 0.1264 0.7945 ( 3708 PWs) bands (ev): -48.6110 -48.6110 -48.6096 -48.6096 -22.9963 -22.9963 -22.9897 -22.9897 -15.3977 -15.3977 -15.3793 -15.3793 -15.3038 -15.3038 -15.2922 -15.2922 2.6776 2.6776 3.0365 3.0365 4.9506 4.9506 5.2577 5.2577 8.1230 8.1230 8.9999 8.9999 10.1079 10.1079 10.4987 10.4987 10.7337 10.7337 11.1832 11.1832 11.3686 11.3686 12.3219 12.3219 13.1979 13.1979 14.1906 14.1906 15.1667 15.1667 15.2632 15.2632 k =-0.5000 0.1264 0.7711 ( 3712 PWs) bands (ev): -48.6112 -48.6112 -48.6097 -48.6097 -22.9962 -22.9962 -22.9890 -22.9890 -15.3964 -15.3964 -15.3761 -15.3761 -15.3043 -15.3043 -15.2919 -15.2919 2.5888 2.5888 2.9439 2.9439 5.0833 5.0833 5.3710 5.3710 8.0560 8.0560 8.9499 8.9499 10.1888 10.1888 10.5696 10.5696 10.7381 10.7381 11.2257 11.2257 11.3022 11.3022 12.2595 12.2595 13.2917 13.2917 14.3000 14.3000 15.0650 15.0650 15.1610 15.1610 k =-0.5000 0.1264 0.7478 ( 3708 PWs) bands (ev): -48.6113 -48.6113 -48.6097 -48.6097 -22.9960 -22.9960 -22.9882 -22.9882 -15.3950 -15.3950 -15.3727 -15.3727 -15.3048 -15.3048 -15.2915 -15.2915 2.5023 2.5023 2.8532 2.8532 5.2179 5.2179 5.4820 5.4820 7.9945 7.9945 8.8992 8.8992 10.2674 10.2674 10.6390 10.6390 10.7455 10.7455 11.2017 11.2017 11.3073 11.3073 12.2024 12.2024 13.3843 13.3843 14.4091 14.4091 14.9646 14.9646 15.0565 15.0565 k =-0.5000 0.1264 0.7244 ( 3712 PWs) bands (ev): -48.6115 -48.6115 -48.6097 -48.6097 -22.9959 -22.9959 -22.9874 -22.9874 -15.3935 -15.3935 -15.3692 -15.3692 -15.3053 -15.3053 -15.2912 -15.2912 2.4181 2.4181 2.7646 2.7646 5.3542 5.3542 5.5897 5.5897 7.9395 7.9395 8.8485 8.8485 10.3420 10.3420 10.7032 10.7032 10.7592 10.7592 11.1346 11.1346 11.3607 11.3607 12.1516 12.1516 13.4752 13.4752 14.5154 14.5154 14.8688 14.8688 14.9529 14.9529 k =-0.5000 0.1264 0.7010 ( 3712 PWs) bands (ev): -48.6116 -48.6116 -48.6097 -48.6097 -22.9956 -22.9956 -22.9866 -22.9866 -15.3918 -15.3918 -15.3655 -15.3655 -15.3056 -15.3056 -15.2909 -15.2909 2.3363 2.3363 2.6781 2.6781 5.4921 5.4921 5.6933 5.6933 7.8921 7.8921 8.7982 8.7982 10.4112 10.4112 10.7441 10.7441 10.7967 10.7967 11.0656 11.0656 11.4212 11.4212 12.1081 12.1081 13.5639 13.5639 14.6073 14.6073 14.7887 14.7887 14.8529 14.8529 k =-0.5000 0.1264 0.6777 ( 3712 PWs) bands (ev): -48.6118 -48.6118 -48.6098 -48.6098 -22.9954 -22.9954 -22.9857 -22.9857 -15.3902 -15.3902 -15.3618 -15.3618 -15.3058 -15.3058 -15.2906 -15.2906 2.2569 2.2569 2.5939 2.5939 5.6312 5.6312 5.7914 5.7914 7.8537 7.8537 8.7487 8.7487 10.4734 10.4734 10.7616 10.7616 10.8575 10.8575 10.9980 10.9980 11.4855 11.4855 12.0728 12.0728 13.6499 13.6499 14.6195 14.6195 14.7428 14.7428 14.8052 14.8052 k =-0.5000 0.1264 0.6543 ( 3704 PWs) bands (ev): -48.6119 -48.6119 -48.6098 -48.6098 -22.9951 -22.9951 -22.9848 -22.9848 -15.3884 -15.3884 -15.3579 -15.3579 -15.3060 -15.3060 -15.2903 -15.2903 2.1799 2.1799 2.5119 2.5119 5.7711 5.7711 5.8831 5.8831 7.8256 7.8256 8.7002 8.7002 10.5273 10.5273 10.7751 10.7751 10.9210 10.9210 10.9330 10.9330 11.5533 11.5533 12.0467 12.0467 13.7328 13.7328 14.5500 14.5500 14.6531 14.6531 14.8909 14.8909 k =-0.5000 0.1264 0.6309 ( 3708 PWs) bands (ev): -48.6121 -48.6121 -48.6099 -48.6099 -22.9948 -22.9948 -22.9840 -22.9840 -15.3867 -15.3867 -15.3540 -15.3540 -15.3060 -15.3060 -15.2901 -15.2901 2.1053 2.1053 2.4323 2.4323 5.9089 5.9089 5.9694 5.9694 7.8095 7.8095 8.6531 8.6531 10.5716 10.5716 10.7871 10.7871 10.8709 10.8709 10.9841 10.9841 11.6241 11.6241 12.0305 12.0305 13.8120 13.8120 14.4692 14.4692 14.5636 14.5636 14.9965 14.9965 k =-0.5000 0.1264 0.6076 ( 3716 PWs) bands (ev): -48.6123 -48.6123 -48.6099 -48.6099 -22.9946 -22.9946 -22.9831 -22.9831 -15.3850 -15.3850 -15.3501 -15.3501 -15.3059 -15.3059 -15.2898 -15.2898 2.0333 2.0333 2.3550 2.3550 6.0204 6.0204 6.0728 6.0728 7.8069 7.8069 8.6075 8.6075 10.6055 10.6055 10.7853 10.7853 10.8257 10.8257 11.0443 11.0443 11.6979 11.6979 12.0246 12.0246 13.8867 13.8867 14.3902 14.3902 14.4790 14.4790 15.1047 15.1047 k =-0.5000 0.1264 0.5842 ( 3712 PWs) bands (ev): -48.6124 -48.6124 -48.6100 -48.6100 -22.9942 -22.9942 -22.9822 -22.9822 -15.3833 -15.3833 -15.3461 -15.3461 -15.3056 -15.3056 -15.2894 -15.2894 1.9637 1.9637 2.2802 2.2802 6.0875 6.0875 6.2099 6.2099 7.8191 7.8191 8.5638 8.5638 10.6287 10.6287 10.7390 10.7390 10.8280 10.8280 11.1014 11.1014 11.7744 11.7744 12.0290 12.0290 13.9555 13.9555 14.3167 14.3167 14.4004 14.4004 15.2115 15.2115 k =-0.5000 0.1264 0.5608 ( 3712 PWs) bands (ev): -48.6126 -48.6126 -48.6100 -48.6100 -22.9938 -22.9938 -22.9813 -22.9813 -15.3817 -15.3817 -15.3422 -15.3422 -15.3051 -15.3051 -15.2891 -15.2891 1.8966 1.8966 2.2080 2.2080 6.1364 6.1364 6.3534 6.3534 7.8470 7.8470 8.5222 8.5222 10.6407 10.6407 10.6842 10.6842 10.8424 10.8424 11.1546 11.1546 11.8533 11.8533 12.0430 12.0430 14.0152 14.0152 14.2523 14.2523 14.3289 14.3289 15.3097 15.3097 k =-0.5000 0.1264 0.5375 ( 3712 PWs) bands (ev): -48.6128 -48.6128 -48.6101 -48.6101 -22.9934 -22.9934 -22.9804 -22.9804 -15.3802 -15.3802 -15.3384 -15.3384 -15.3045 -15.3045 -15.2887 -15.2887 1.8321 1.8321 2.1382 2.1382 6.1715 6.1715 6.4982 6.4982 7.8905 7.8905 8.4830 8.4830 10.6253 10.6253 10.6480 10.6480 10.8590 10.8590 11.2033 11.2033 11.9335 11.9335 12.0661 12.0661 14.0543 14.0543 14.2082 14.2082 14.2655 14.2655 15.3574 15.3574 k =-0.5000 0.1264 0.5141 ( 3706 PWs) bands (ev): -48.6129 -48.6129 -48.6101 -48.6101 -22.9930 -22.9930 -22.9796 -22.9796 -15.3787 -15.3787 -15.3346 -15.3346 -15.3037 -15.3037 -15.2882 -15.2882 1.7701 1.7701 2.0711 2.0711 6.1940 6.1940 6.6433 6.6433 7.9490 7.9490 8.4469 8.4469 10.5742 10.5742 10.6406 10.6406 10.8767 10.8767 11.2469 11.2469 12.0116 12.0116 12.0997 12.0997 14.0482 14.0482 14.2058 14.2058 14.2146 14.2146 15.3444 15.3444 k =-0.5000 0.1264 0.4907 ( 3708 PWs) bands (ev): -48.6131 -48.6131 -48.6102 -48.6102 -22.9926 -22.9926 -22.9787 -22.9787 -15.3774 -15.3774 -15.3310 -15.3310 -15.3027 -15.3027 -15.2876 -15.2876 1.7108 1.7108 2.0066 2.0066 6.2054 6.2054 6.7880 6.7880 8.0208 8.0208 8.4146 8.4146 10.5237 10.5237 10.6276 10.6276 10.8952 10.8952 11.2848 11.2848 12.0768 12.0768 12.1524 12.1524 14.0074 14.0074 14.1660 14.1660 14.2451 14.2451 15.3216 15.3216 k =-0.5000 0.1264 0.4674 ( 3712 PWs) bands (ev): -48.6133 -48.6133 -48.6103 -48.6103 -22.9923 -22.9923 -22.9778 -22.9778 -15.3762 -15.3762 -15.3275 -15.3275 -15.3016 -15.3016 -15.2869 -15.2869 1.6540 1.6540 1.9448 1.9448 6.2071 6.2071 6.9315 6.9315 8.1033 8.1033 8.3879 8.3879 10.4751 10.4751 10.6091 10.6091 10.9142 10.9142 11.3164 11.3164 12.1210 12.1210 12.2296 12.2296 13.9588 13.9588 14.1319 14.1319 14.2880 14.2880 15.2985 15.2985 k =-0.5000 0.1264 0.4440 ( 3706 PWs) bands (ev): -48.6134 -48.6134 -48.6103 -48.6103 -22.9918 -22.9918 -22.9770 -22.9770 -15.3751 -15.3751 -15.3243 -15.3243 -15.3004 -15.3004 -15.2860 -15.2860 1.5998 1.5998 1.8857 1.8857 6.2011 6.2011 7.0727 7.0727 8.1908 8.1908 8.3714 8.3714 10.4287 10.4287 10.5865 10.5865 10.9337 10.9337 11.3413 11.3413 12.1537 12.1537 12.3198 12.3198 13.9111 13.9111 14.1081 14.1081 14.3303 14.3303 15.2769 15.2769 k =-0.5000 0.1264 0.4206 ( 3706 PWs) bands (ev): -48.6136 -48.6136 -48.6104 -48.6104 -22.9914 -22.9914 -22.9762 -22.9762 -15.3742 -15.3742 -15.3213 -15.3213 -15.2991 -15.2991 -15.2850 -15.2850 1.5483 1.5483 1.8294 1.8294 6.1890 6.1890 7.2100 7.2100 8.2642 8.2642 8.3838 8.3838 10.3846 10.3846 10.5608 10.5608 10.9534 10.9534 11.3589 11.3589 12.1794 12.1794 12.4159 12.4159 13.8670 13.8670 14.0948 14.0948 14.3697 14.3697 15.2571 15.2571 k =-0.5000 0.1264 0.3973 ( 3702 PWs) bands (ev): -48.6137 -48.6137 -48.6105 -48.6105 -22.9910 -22.9910 -22.9753 -22.9753 -15.3734 -15.3734 -15.3185 -15.3185 -15.2976 -15.2976 -15.2837 -15.2837 1.4995 1.4995 1.7759 1.7759 6.1724 6.1724 7.3413 7.3413 8.2917 8.2917 8.4572 8.4572 10.3428 10.3428 10.5333 10.5333 10.9731 10.9731 11.3693 11.3693 12.1982 12.1982 12.5161 12.5161 13.8275 13.8275 14.0915 14.0915 14.4056 14.4056 15.2395 15.2395 k =-0.5000 0.1264 0.3739 ( 3698 PWs) bands (ev): -48.6139 -48.6139 -48.6105 -48.6105 -22.9906 -22.9906 -22.9745 -22.9745 -15.3727 -15.3727 -15.3161 -15.3161 -15.2961 -15.2961 -15.2821 -15.2821 1.4533 1.4533 1.7253 1.7253 6.1526 6.1526 7.4632 7.4632 8.3020 8.3020 8.5647 8.5647 10.3033 10.3033 10.5047 10.5047 10.9926 10.9926 11.3721 11.3721 12.2091 12.2091 12.6197 12.6197 13.7929 13.7929 14.0978 14.0978 14.4378 14.4378 15.2241 15.2241 k =-0.5000 0.1264 0.3505 ( 3698 PWs) bands (ev): -48.6140 -48.6140 -48.6106 -48.6106 -22.9902 -22.9902 -22.9737 -22.9737 -15.3722 -15.3722 -15.3139 -15.3139 -15.2947 -15.2947 -15.2804 -15.2804 1.4098 1.4098 1.6775 1.6775 6.1306 6.1306 7.5712 7.5712 8.3210 8.3210 8.6834 8.6834 10.2661 10.2661 10.4759 10.4759 11.0118 11.0118 11.3675 11.3675 12.2111 12.2111 12.7263 12.7263 13.7632 13.7632 14.1131 14.1131 14.4665 14.4665 15.2109 15.2109 k =-0.5000 0.1264 0.3272 ( 3682 PWs) bands (ev): -48.6141 -48.6141 -48.6107 -48.6107 -22.9897 -22.9897 -22.9729 -22.9729 -15.3717 -15.3717 -15.3120 -15.3120 -15.2931 -15.2931 -15.2784 -15.2784 1.3691 1.3691 1.6326 1.6326 6.1075 6.1075 7.6599 7.6599 8.3581 8.3581 8.8074 8.8074 10.2313 10.2313 10.4476 10.4476 11.0306 11.0306 11.3557 11.3557 12.2034 12.2034 12.8358 12.8358 13.7381 13.7381 14.1364 14.1364 14.4918 14.4918 15.1999 15.1999 k =-0.5000 0.1264 0.3038 ( 3686 PWs) bands (ev): -48.6143 -48.6143 -48.6107 -48.6107 -22.9893 -22.9893 -22.9723 -22.9723 -15.3714 -15.3714 -15.3105 -15.3105 -15.2917 -15.2917 -15.2763 -15.2763 1.3310 1.3310 1.5906 1.5906 6.0839 6.0839 7.7257 7.7257 8.4179 8.4179 8.9347 8.9347 10.1989 10.1989 10.4202 10.4202 11.0487 11.0487 11.3368 11.3368 12.1858 12.1858 12.9479 12.9479 13.7169 13.7169 14.1667 14.1667 14.5139 14.5139 15.1908 15.1908 k =-0.5000 0.1264 0.2804 ( 3690 PWs) bands (ev): -48.6144 -48.6144 -48.6108 -48.6108 -22.9890 -22.9890 -22.9717 -22.9717 -15.3712 -15.3712 -15.3092 -15.3092 -15.2903 -15.2903 -15.2742 -15.2742 1.2958 1.2958 1.5517 1.5517 6.0604 6.0604 7.7689 7.7689 8.5000 8.5000 9.0638 9.0638 10.1688 10.1688 10.3942 10.3942 11.0661 11.0661 11.3112 11.3112 12.1582 12.1582 13.0625 13.0625 13.6990 13.6990 14.2028 14.2028 14.5333 14.5333 15.1837 15.1837 k =-0.5000 0.1264 0.2570 ( 3688 PWs) bands (ev): -48.6145 -48.6145 -48.6108 -48.6108 -22.9886 -22.9886 -22.9711 -22.9711 -15.3710 -15.3710 -15.3081 -15.3081 -15.2888 -15.2888 -15.2720 -15.2720 1.2632 1.2632 1.5157 1.5157 6.0376 6.0376 7.7937 7.7937 8.5997 8.5997 9.1939 9.1939 10.1411 10.1411 10.3700 10.3700 11.0826 11.0826 11.2793 11.2793 12.1211 12.1211 13.1793 13.1793 13.6834 13.6834 14.2434 14.2434 14.5503 14.5503 15.1783 15.1783 k =-0.5000 0.1264 0.2337 ( 3684 PWs) bands (ev): -48.6146 -48.6146 -48.6109 -48.6109 -22.9883 -22.9883 -22.9705 -22.9705 -15.3709 -15.3709 -15.3072 -15.3072 -15.2874 -15.2874 -15.2699 -15.2699 1.2335 1.2335 1.4828 1.4828 6.0157 6.0157 7.8057 7.8057 8.7106 8.7106 9.3240 9.3240 10.1158 10.1158 10.3480 10.3480 11.0981 11.0981 11.2412 11.2412 12.0752 12.0752 13.2980 13.2980 13.6698 13.6698 14.2870 14.2870 14.5652 14.5652 15.1745 15.1745 k =-0.5000 0.1264 0.2103 ( 3688 PWs) bands (ev): -48.6147 -48.6147 -48.6109 -48.6109 -22.9881 -22.9881 -22.9700 -22.9700 -15.3708 -15.3708 -15.3065 -15.3065 -15.2861 -15.2861 -15.2678 -15.2678 1.2065 1.2065 1.4529 1.4529 5.9952 5.9952 7.8096 7.8096 8.8271 8.8271 9.4535 9.4535 10.0930 10.0930 10.3286 10.3286 11.1124 11.1124 11.1974 11.1974 12.0218 12.0218 13.4175 13.4175 13.6580 13.6580 14.3321 14.3321 14.5786 14.5786 15.1720 15.1720 k =-0.5000 0.1264 0.1869 ( 3690 PWs) bands (ev): -48.6148 -48.6148 -48.6110 -48.6110 -22.9879 -22.9879 -22.9695 -22.9695 -15.3708 -15.3708 -15.3060 -15.3060 -15.2849 -15.2849 -15.2659 -15.2659 1.1824 1.1824 1.4261 1.4261 5.9764 5.9764 7.8088 7.8088 8.9447 8.9447 9.5815 9.5815 10.0726 10.0726 10.3121 10.3121 11.1242 11.1242 11.1492 11.1492 11.9622 11.9622 13.5341 13.5341 13.6514 13.6514 14.3771 14.3771 14.5910 14.5910 15.1707 15.1707 k =-0.5000 0.1264 0.1636 ( 3688 PWs) bands (ev): -48.6148 -48.6148 -48.6110 -48.6110 -22.9876 -22.9876 -22.9691 -22.9691 -15.3708 -15.3708 -15.3055 -15.3055 -15.2837 -15.2837 -15.2641 -15.2641 1.1611 1.1611 1.4024 1.4024 5.9593 5.9593 7.8053 7.8053 9.0595 9.0595 9.7072 9.7072 10.0547 10.0547 10.2989 10.2989 11.0912 11.0912 11.1391 11.1391 11.8982 11.8982 13.6074 13.6074 13.6894 13.6894 14.4198 14.4198 14.6032 14.6032 15.1703 15.1703 k =-0.5000 0.1264 0.1402 ( 3678 PWs) bands (ev): -48.6149 -48.6149 -48.6111 -48.6111 -22.9873 -22.9873 -22.9686 -22.9686 -15.3708 -15.3708 -15.3052 -15.3052 -15.2825 -15.2825 -15.2624 -15.2624 1.1426 1.1426 1.3818 1.3818 5.9442 5.9442 7.8007 7.8007 9.1682 9.1682 9.8297 9.8297 10.0396 10.0396 10.2891 10.2891 11.0316 11.0316 11.1491 11.1491 11.8320 11.8320 13.6086 13.6086 13.8007 13.8007 14.4577 14.4577 14.6163 14.6163 15.1706 15.1706 k =-0.5000 0.1264 0.1168 ( 3678 PWs) bands (ev): -48.6150 -48.6150 -48.6111 -48.6111 -22.9872 -22.9872 -22.9683 -22.9683 -15.3709 -15.3709 -15.3049 -15.3049 -15.2816 -15.2816 -15.2610 -15.2610 1.1269 1.1269 1.3644 1.3644 5.9312 5.9312 7.7958 7.7958 9.2677 9.2677 9.9462 9.9462 10.0294 10.0294 10.2829 10.2829 10.9666 10.9666 11.1581 11.1581 11.7664 11.7664 13.6003 13.6003 13.9214 13.9214 14.4882 14.4882 14.6314 14.6314 15.1714 15.1714 k =-0.5000 0.1264 0.0935 ( 3684 PWs) bands (ev): -48.6150 -48.6150 -48.6111 -48.6111 -22.9870 -22.9870 -22.9682 -22.9682 -15.3709 -15.3709 -15.3048 -15.3048 -15.2808 -15.2808 -15.2600 -15.2600 1.1141 1.1141 1.3501 1.3501 5.9204 5.9204 7.7911 7.7911 9.3547 9.3547 10.0067 10.0067 10.0727 10.0727 10.2803 10.2803 10.8972 10.8972 11.1658 11.1658 11.7045 11.7045 13.5917 13.5917 14.0413 14.0413 14.5083 14.5083 14.6492 14.6492 15.1724 15.1724 k =-0.5000 0.1264 0.0701 ( 3688 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9869 -22.9869 -22.9680 -22.9680 -15.3709 -15.3709 -15.3047 -15.3047 -15.2802 -15.2802 -15.2591 -15.2591 1.1041 1.1041 1.3390 1.3390 5.9119 5.9119 7.7872 7.7872 9.4261 9.4261 10.0025 10.0025 10.1767 10.1767 10.2806 10.2806 10.8248 10.8248 11.1718 11.1718 11.6501 11.6501 13.5843 13.5843 14.1562 14.1562 14.5166 14.5166 14.6683 14.6683 15.1736 15.1736 k =-0.5000 0.1264 0.0467 ( 3684 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9868 -22.9868 -22.9679 -22.9679 -15.3709 -15.3709 -15.3046 -15.3046 -15.2797 -15.2797 -15.2584 -15.2584 1.0969 1.0969 1.3310 1.3310 5.9059 5.9059 7.7842 7.7842 9.4792 9.4792 9.9971 9.9971 10.2730 10.2730 10.2841 10.2841 10.7522 10.7522 11.1763 11.1763 11.6071 11.6071 13.5786 13.5786 14.2613 14.2613 14.5118 14.5118 14.6857 14.6857 15.1745 15.1745 k =-0.5000 0.1264 0.0234 ( 3676 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9867 -22.9867 -22.9677 -22.9677 -15.3709 -15.3709 -15.3045 -15.3045 -15.2794 -15.2794 -15.2580 -15.2580 1.0926 1.0926 1.3263 1.3263 5.9022 5.9022 7.7824 7.7824 9.5119 9.5119 9.9937 9.9937 10.2845 10.2845 10.3539 10.3539 10.6885 10.6885 11.1790 11.1790 11.5794 11.5794 13.5750 13.5750 14.3478 14.3478 14.4934 14.4934 14.6978 14.6978 15.1740 15.1740 k =-0.5000 0.1264 0.0000 ( 3670 PWs) bands (ev): -48.6151 -48.6151 -48.6111 -48.6111 -22.9866 -22.9866 -22.9677 -22.9677 -15.3708 -15.3708 -15.3045 -15.3045 -15.2793 -15.2793 -15.2578 -15.2578 1.0912 1.0912 1.3247 1.3247 5.9010 5.9010 7.7817 7.7817 9.5230 9.5230 9.9926 9.9926 10.2855 10.2855 10.3885 10.3885 10.6590 10.6590 11.1800 11.1800 11.5698 11.5698 13.5738 13.5738 14.3905 14.3905 14.4752 14.4752 14.7021 14.7021 15.1724 15.1724 k = 0.0000 0.0000 1.0282 ( 3676 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9950 -22.9950 -22.9950 -22.9950 -15.3977 -15.3977 -15.3977 -15.3977 -15.2994 -15.2994 -15.2994 -15.2994 3.3443 3.3443 3.3443 3.3443 4.7713 4.7713 4.7713 4.7713 7.6223 7.6223 7.6223 7.6223 10.6042 10.6042 10.6042 10.6042 11.1770 11.1770 11.1770 11.1770 13.0271 13.0271 13.0271 13.0271 13.2738 13.2738 13.2738 13.2738 14.9732 14.9732 14.9732 14.9732 k =-0.0227 0.0057 1.0282 ( 3668 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9949 -22.9949 -22.9949 -22.9949 -15.3977 -15.3977 -15.3977 -15.3977 -15.2993 -15.2993 -15.2993 -15.2993 3.3453 3.3453 3.3453 3.3453 4.7683 4.7683 4.7683 4.7683 7.6272 7.6272 7.6272 7.6272 10.6051 10.6051 10.6051 10.6051 11.1723 11.1723 11.1723 11.1723 13.0214 13.0214 13.0214 13.0214 13.2727 13.2727 13.2727 13.2727 14.9806 14.9806 14.9806 14.9806 k =-0.0455 0.0115 1.0282 ( 3668 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9949 -22.9949 -22.9949 -22.9949 -15.3977 -15.3977 -15.3977 -15.3977 -15.2993 -15.2993 -15.2993 -15.2993 3.3482 3.3482 3.3482 3.3482 4.7593 4.7593 4.7593 4.7593 7.6419 7.6419 7.6419 7.6419 10.6077 10.6077 10.6077 10.6077 11.1583 11.1583 11.1583 11.1583 13.0046 13.0046 13.0046 13.0046 13.2693 13.2693 13.2693 13.2693 15.0026 15.0026 15.0026 15.0026 k =-0.0682 0.0172 1.0282 ( 3676 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9950 -22.9950 -22.9950 -22.9950 -15.3978 -15.3978 -15.3978 -15.3978 -15.2993 -15.2993 -15.2993 -15.2993 3.3532 3.3532 3.3532 3.3532 4.7447 4.7447 4.7447 4.7447 7.6661 7.6661 7.6661 7.6661 10.6120 10.6120 10.6120 10.6120 11.1350 11.1350 11.1350 11.1350 12.9780 12.9780 12.9780 12.9780 13.2637 13.2637 13.2637 13.2637 15.0383 15.0383 15.0383 15.0383 k =-0.0909 0.0230 1.0282 ( 3684 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9951 -22.9951 -22.9951 -22.9951 -15.3979 -15.3979 -15.3979 -15.3979 -15.2992 -15.2992 -15.2992 -15.2992 3.3601 3.3601 3.3601 3.3601 4.7247 4.7247 4.7247 4.7247 7.6995 7.6995 7.6995 7.6995 10.6180 10.6180 10.6180 10.6180 11.1026 11.1026 11.1026 11.1026 12.9428 12.9428 12.9428 12.9428 13.2562 13.2562 13.2562 13.2562 15.0864 15.0864 15.0864 15.0864 k =-0.1136 0.0287 1.0282 ( 3692 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9951 -22.9951 -22.9951 -22.9951 -15.3980 -15.3980 -15.3980 -15.3980 -15.2992 -15.2992 -15.2992 -15.2992 3.3689 3.3689 3.3689 3.3689 4.6998 4.6998 4.6998 4.6998 7.7416 7.7416 7.7416 7.7416 10.6256 10.6256 10.6256 10.6256 11.0616 11.0616 11.0616 11.0616 12.9007 12.9007 12.9007 12.9007 13.2472 13.2472 13.2472 13.2472 15.1449 15.1449 15.1449 15.1449 k =-0.1364 0.0345 1.0282 ( 3684 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9950 -22.9950 -22.9950 -22.9950 -15.3981 -15.3981 -15.3981 -15.3981 -15.2990 -15.2990 -15.2990 -15.2990 3.3797 3.3797 3.3797 3.3797 4.6706 4.6706 4.6706 4.6706 7.7917 7.7917 7.7917 7.7917 10.6347 10.6347 10.6347 10.6347 11.0123 11.0123 11.0123 11.0123 12.8533 12.8533 12.8533 12.8533 13.2371 13.2371 13.2371 13.2371 15.2119 15.2119 15.2119 15.2119 k =-0.1591 0.0402 1.0282 ( 3698 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9951 -22.9951 -22.9951 -22.9951 -15.3983 -15.3983 -15.3983 -15.3983 -15.2990 -15.2990 -15.2990 -15.2990 3.3922 3.3922 3.3922 3.3922 4.6376 4.6376 4.6376 4.6376 7.8493 7.8493 7.8493 7.8493 10.6451 10.6451 10.6451 10.6451 10.9552 10.9552 10.9552 10.9552 12.8021 12.8021 12.8021 12.8021 13.2267 13.2267 13.2267 13.2267 15.2842 15.2842 15.2842 15.2842 k =-0.1818 0.0459 1.0282 ( 3694 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9951 -22.9951 -22.9951 -22.9951 -15.3984 -15.3984 -15.3984 -15.3984 -15.2988 -15.2988 -15.2988 -15.2988 3.4066 3.4066 3.4066 3.4066 4.6015 4.6015 4.6015 4.6015 7.9136 7.9136 7.9136 7.9136 10.6567 10.6567 10.6567 10.6567 10.8910 10.8910 10.8910 10.8910 12.7484 12.7484 12.7484 12.7484 13.2163 13.2163 13.2163 13.2163 15.3571 15.3571 15.3571 15.3571 k =-0.2045 0.0517 1.0282 ( 3702 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9952 -22.9952 -22.9952 -22.9952 -15.3986 -15.3986 -15.3986 -15.3986 -15.2987 -15.2987 -15.2987 -15.2987 3.4227 3.4227 3.4227 3.4227 4.5628 4.5628 4.5628 4.5628 7.9840 7.9840 7.9840 7.9840 10.6688 10.6688 10.6688 10.6688 10.8206 10.8206 10.8206 10.8206 12.6933 12.6933 12.6933 12.6933 13.2064 13.2064 13.2064 13.2064 15.4233 15.4233 15.4233 15.4233 k =-0.2273 0.0574 1.0282 ( 3704 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9952 -22.9952 -22.9952 -22.9952 -15.3988 -15.3988 -15.3988 -15.3988 -15.2985 -15.2985 -15.2985 -15.2985 3.4404 3.4404 3.4404 3.4404 4.5223 4.5223 4.5223 4.5223 8.0597 8.0597 8.0597 8.0597 10.6791 10.6791 10.6791 10.6791 10.7473 10.7473 10.7473 10.7473 12.6379 12.6379 12.6379 12.6379 13.1973 13.1973 13.1973 13.1973 15.4770 15.4770 15.4770 15.4770 k =-0.2500 0.0632 1.0282 ( 3704 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9952 -22.9952 -22.9952 -22.9952 -15.3990 -15.3990 -15.3990 -15.3990 -15.2983 -15.2983 -15.2983 -15.2983 3.4596 3.4596 3.4596 3.4596 4.4804 4.4804 4.4804 4.4804 8.1399 8.1399 8.1399 8.1399 10.6502 10.6502 10.6502 10.6502 10.7087 10.7087 10.7087 10.7087 12.5832 12.5832 12.5832 12.5832 13.1893 13.1893 13.1893 13.1893 15.5194 15.5194 15.5194 15.5194 k =-0.2727 0.0689 1.0282 ( 3704 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9952 -22.9952 -22.9952 -22.9952 -15.3991 -15.3991 -15.3991 -15.3991 -15.2982 -15.2982 -15.2982 -15.2982 3.4801 3.4801 3.4801 3.4801 4.4378 4.4378 4.4378 4.4378 8.2239 8.2239 8.2239 8.2239 10.5690 10.5690 10.5690 10.5690 10.7187 10.7187 10.7187 10.7187 12.5299 12.5299 12.5299 12.5299 13.1824 13.1824 13.1824 13.1824 15.5541 15.5541 15.5541 15.5541 k =-0.2955 0.0747 1.0282 ( 3704 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9952 -22.9952 -22.9952 -22.9952 -15.3993 -15.3993 -15.3993 -15.3993 -15.2980 -15.2980 -15.2980 -15.2980 3.5017 3.5017 3.5017 3.5017 4.3951 4.3951 4.3951 4.3951 8.3110 8.3110 8.3110 8.3110 10.4802 10.4802 10.4802 10.4802 10.7332 10.7332 10.7332 10.7332 12.4789 12.4789 12.4789 12.4789 13.1766 13.1766 13.1766 13.1766 15.5826 15.5826 15.5826 15.5826 k =-0.3182 0.0804 1.0282 ( 3702 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9952 -22.9952 -22.9952 -22.9952 -15.3994 -15.3994 -15.3994 -15.3994 -15.2978 -15.2978 -15.2978 -15.2978 3.5242 3.5242 3.5242 3.5242 4.3529 4.3529 4.3529 4.3529 8.4000 8.4000 8.4000 8.4000 10.3885 10.3885 10.3885 10.3885 10.7483 10.7483 10.7483 10.7483 12.4308 12.4308 12.4308 12.4308 13.1719 13.1719 13.1719 13.1719 15.6059 15.6059 15.6059 15.6059 k =-0.3409 0.0862 1.0282 ( 3706 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9952 -22.9952 -22.9952 -22.9952 -15.3996 -15.3996 -15.3996 -15.3996 -15.2977 -15.2977 -15.2977 -15.2977 3.5472 3.5472 3.5472 3.5472 4.3118 4.3118 4.3118 4.3118 8.4901 8.4901 8.4901 8.4901 10.2956 10.2956 10.2956 10.2956 10.7631 10.7631 10.7631 10.7631 12.3863 12.3863 12.3863 12.3863 13.1682 13.1682 13.1682 13.1682 15.6244 15.6244 15.6244 15.6244 k =-0.3636 0.0919 1.0282 ( 3706 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9952 -22.9952 -22.9952 -22.9952 -15.3997 -15.3997 -15.3997 -15.3997 -15.2975 -15.2975 -15.2975 -15.2975 3.5701 3.5701 3.5701 3.5701 4.2727 4.2727 4.2727 4.2727 8.5797 8.5797 8.5797 8.5797 10.2031 10.2031 10.2031 10.2031 10.7773 10.7773 10.7773 10.7773 12.3462 12.3462 12.3462 12.3462 13.1653 13.1653 13.1653 13.1653 15.6386 15.6386 15.6386 15.6386 k =-0.3864 0.0976 1.0282 ( 3706 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9952 -22.9952 -22.9952 -22.9952 -15.3999 -15.3999 -15.3999 -15.3999 -15.2974 -15.2974 -15.2974 -15.2974 3.5925 3.5925 3.5925 3.5925 4.2363 4.2363 4.2363 4.2363 8.6671 8.6671 8.6671 8.6671 10.1129 10.1129 10.1129 10.1129 10.7902 10.7902 10.7902 10.7902 12.3109 12.3109 12.3109 12.3109 13.1632 13.1632 13.1632 13.1632 15.6491 15.6491 15.6491 15.6491 k =-0.4091 0.1034 1.0282 ( 3710 PWs) bands (ev): -48.6099 -48.6099 -48.6099 -48.6099 -22.9952 -22.9952 -22.9952 -22.9952 -15.4000 -15.4000 -15.4000 -15.4000 -15.2973 -15.2973 -15.2973 -15.2973 3.6134 3.6134 3.6134 3.6134 4.2037 4.2037 4.2037 4.2037 8.7498 8.7498 8.7498 8.7498 10.0278 10.0278 10.0278 10.0278 10.8015 10.8015 10.8015 10.8015 12.2811 12.2811 12.2811 12.2811 13.1617 13.1617 13.1617 13.1617 15.6566 15.6566 15.6566 15.6566 k =-0.4318 0.1091 1.0282 ( 3722 PWs) bands (ev): -48.6100 -48.6100 -48.6100 -48.6100 -22.9953 -22.9953 -22.9953 -22.9953 -15.4001 -15.4001 -15.4001 -15.4001 -15.2973 -15.2973 -15.2973 -15.2973 3.6317 3.6317 3.6317 3.6317 4.1761 4.1761 4.1761 4.1761 8.8242 8.8242 8.8242 8.8242 9.9514 9.9514 9.9514 9.9514 10.8108 10.8108 10.8108 10.8108 12.2573 12.2573 12.2573 12.2573 13.1607 13.1607 13.1607 13.1607 15.6616 15.6616 15.6616 15.6616 k =-0.4545 0.1149 1.0282 ( 3730 PWs) bands (ev): -48.6100 -48.6100 -48.6100 -48.6100 -22.9954 -22.9954 -22.9954 -22.9954 -15.4002 -15.4002 -15.4002 -15.4002 -15.2973 -15.2973 -15.2973 -15.2973 3.6463 3.6463 3.6463 3.6463 4.1549 4.1549 4.1549 4.1549 8.8850 8.8850 8.8850 8.8850 9.8891 9.8891 9.8891 9.8891 10.8177 10.8177 10.8177 10.8177 12.2400 12.2400 12.2400 12.2400 13.1601 13.1601 13.1601 13.1601 15.6648 15.6648 15.6648 15.6648 k =-0.4773 0.1206 1.0282 ( 3730 PWs) bands (ev): -48.6100 -48.6100 -48.6100 -48.6100 -22.9954 -22.9954 -22.9954 -22.9954 -15.4002 -15.4002 -15.4002 -15.4002 -15.2973 -15.2973 -15.2973 -15.2973 3.6557 3.6557 3.6557 3.6557 4.1415 4.1415 4.1415 4.1415 8.9259 8.9259 8.9259 8.9259 9.8474 9.8474 9.8474 9.8474 10.8220 10.8220 10.8220 10.8220 12.2294 12.2294 12.2294 12.2294 13.1597 13.1597 13.1597 13.1597 15.6665 15.6665 15.6665 15.6665 k =-0.5000 0.1264 1.0282 ( 3724 PWs) bands (ev): -48.6100 -48.6100 -48.6100 -48.6100 -22.9953 -22.9953 -22.9953 -22.9953 -15.4002 -15.4002 -15.4002 -15.4002 -15.2972 -15.2972 -15.2972 -15.2972 3.6590 3.6590 3.6590 3.6590 4.1368 4.1368 4.1368 4.1368 8.9404 8.9404 8.9404 8.9404 9.8325 9.8325 9.8325 9.8325 10.8235 10.8235 10.8235 10.8235 12.2259 12.2259 12.2259 12.2259 13.1596 13.1596 13.1596 13.1596 15.6670 15.6670 15.6670 15.6670 Writing output data file HfSi2.save init_run : 3.25s CPU 13.34s WALL ( 1 calls) electrons : 857.81s CPU 869.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.52s CPU 1.35s WALL ( 1 calls) Called by electrons: c_bands : 857.79s CPU 869.07s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.73s WALL ( 1 calls) v_h : 0.03s CPU 0.04s WALL ( 1 calls) v_xc : 0.04s CPU 0.47s WALL ( 1 calls) newd : 0.40s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.19s WALL ( 428 calls) cegterg : 743.31s CPU 748.73s WALL ( 991 calls) Called by sum_band: Called by *egterg: h_psi : 376.59s CPU 386.61s WALL ( 17847 calls) s_psi : 27.74s CPU 28.90s WALL ( 17847 calls) g_psi : 0.80s CPU 0.77s WALL ( 16428 calls) cdiaghg : 255.26s CPU 252.25s WALL ( 16856 calls) cegterg:over : 59.81s CPU 54.95s WALL ( 16428 calls) cegterg:upda : 10.71s CPU 15.49s WALL ( 16428 calls) cegterg:last : 9.99s CPU 11.06s WALL ( 2704 calls) Called by h_psi: h_psi:vloc : 314.81s CPU 323.54s WALL ( 17847 calls) h_psi:vnl : 61.48s CPU 62.07s WALL ( 17847 calls) add_vuspsi : 17.87s CPU 23.14s WALL ( 17847 calls) General routines calbec : 43.56s CPU 38.80s WALL ( 17847 calls) fft : 0.50s CPU 1.31s WALL ( 19 calls) ffts : 0.03s CPU 0.06s WALL ( 4 calls) fftw : 300.10s CPU 303.90s WALL ( 1542164 calls) interpolate : 0.20s CPU 0.23s WALL ( 4 calls) davcio : 0.04s CPU 8.74s WALL ( 856 calls) Parallel routines fft_scatter : 166.67s CPU 166.65s WALL ( 1542187 calls) PWSCF : 15m58.96s CPU 20m36.35s WALL This run was terminated on: 12:46:46 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. 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