Program PWSCF v.5.1.1 starts on 27Jul2015 at 14:41: 4 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./HgTe.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 63 26 7 5125 1351 213 Max 64 27 8 5134 1383 220 Sum 2029 847 253 164077 43729 6919 bravais-lattice index = 14 lattice parameter (alat) = 8.4093 a.u. unit-cell volume = 1144.5729 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.409281 celldm(2)= 1.000000 celldm(3)= 2.222472 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 2.222472 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.449949 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Te 6.00 127.60000 Te( 1.00) 2 Sym. Ops. (no inversion) found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cryst. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 283 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0035336 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0035336 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0035336 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0035336 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0035336 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0035336 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0035336 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0035336 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0035336 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0035336 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0035336 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0035336 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0035336 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0035336 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0035336 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0035336 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0035336 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0035336 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0035336 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0035336 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0035336 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0035336 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0035336 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0035336 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0035336 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0035336 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0035336 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0035336 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0035336 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0035336 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0035336 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0035336 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0035336 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0035336 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0035336 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0035336 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0035336 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0035336 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0035336 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0035336 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035336 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035336 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0035336 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0035336 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0035336 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0035336 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0035336 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0035336 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0035336 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0035336 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0035336 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0035336 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0035336 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0035336 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0035336 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0035336 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0035336 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0035336 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0035336 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0035336 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0035336 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0035336 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0035336 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0035336 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0035336 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035336 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035336 k( 69) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0035336 k( 70) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0035336 k( 71) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0035336 k( 72) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0035336 k( 73) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0035336 k( 74) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0035336 k( 75) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0035336 k( 76) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0035336 k( 77) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0035336 k( 78) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0035336 k( 79) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0035336 k( 80) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0035336 k( 81) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0035336 k( 82) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0035336 k( 83) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0035336 k( 84) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0035336 k( 85) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0035336 k( 86) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0035336 k( 87) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0035336 k( 88) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0035336 k( 89) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0035336 k( 90) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0035336 k( 91) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0035336 k( 92) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0035336 k( 93) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0035336 k( 94) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0035336 k( 95) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0035336 k( 96) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0035336 k( 97) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0035336 k( 98) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0035336 k( 99) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0035336 k( 100) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0035336 k( 101) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0035336 k( 102) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0035336 k( 103) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0035336 k( 104) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0035336 k( 105) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0035336 k( 106) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0035336 k( 107) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0035336 k( 108) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0035336 k( 109) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0035336 k( 110) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0035336 k( 111) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0035336 k( 112) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0035336 k( 113) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0035336 k( 114) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0035336 k( 115) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0035336 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 118) = ( 0.0000000 0.0000000 0.0140609), wk = 0.0035336 k( 119) = ( 0.0000000 0.0000000 0.0281218), wk = 0.0035336 k( 120) = ( 0.0000000 0.0000000 0.0421828), wk = 0.0035336 k( 121) = ( 0.0000000 0.0000000 0.0562437), wk = 0.0035336 k( 122) = ( 0.0000000 0.0000000 0.0703046), wk = 0.0035336 k( 123) = ( 0.0000000 0.0000000 0.0843655), wk = 0.0035336 k( 124) = ( 0.0000000 0.0000000 0.0984264), wk = 0.0035336 k( 125) = ( 0.0000000 0.0000000 0.1124874), wk = 0.0035336 k( 126) = ( 0.0000000 0.0000000 0.1265483), wk = 0.0035336 k( 127) = ( 0.0000000 0.0000000 0.1406092), wk = 0.0035336 k( 128) = ( 0.0000000 0.0000000 0.1546701), wk = 0.0035336 k( 129) = ( 0.0000000 0.0000000 0.1687310), wk = 0.0035336 k( 130) = ( 0.0000000 0.0000000 0.1827920), wk = 0.0035336 k( 131) = ( 0.0000000 0.0000000 0.1968529), wk = 0.0035336 k( 132) = ( 0.0000000 0.0000000 0.2109138), wk = 0.0035336 k( 133) = ( 0.0000000 0.0000000 0.2249747), wk = 0.0035336 k( 134) = ( 0.0000000 0.0000000 0.2249747), wk = 0.0035336 k( 135) = ( 0.0121951 0.0070409 0.2249747), wk = 0.0035336 k( 136) = ( 0.0243902 0.0140817 0.2249747), wk = 0.0035336 k( 137) = ( 0.0365854 0.0211226 0.2249747), wk = 0.0035336 k( 138) = ( 0.0487805 0.0281634 0.2249747), wk = 0.0035336 k( 139) = ( 0.0609756 0.0352043 0.2249747), wk = 0.0035336 k( 140) = ( 0.0731707 0.0422451 0.2249747), wk = 0.0035336 k( 141) = ( 0.0853658 0.0492860 0.2249747), wk = 0.0035336 k( 142) = ( 0.0975610 0.0563269 0.2249747), wk = 0.0035336 k( 143) = ( 0.1097561 0.0633677 0.2249747), wk = 0.0035336 k( 144) = ( 0.1219512 0.0704086 0.2249747), wk = 0.0035336 k( 145) = ( 0.1341463 0.0774494 0.2249747), wk = 0.0035336 k( 146) = ( 0.1463415 0.0844903 0.2249747), wk = 0.0035336 k( 147) = ( 0.1585366 0.0915311 0.2249747), wk = 0.0035336 k( 148) = ( 0.1707317 0.0985720 0.2249747), wk = 0.0035336 k( 149) = ( 0.1829268 0.1056129 0.2249747), wk = 0.0035336 k( 150) = ( 0.1951219 0.1126537 0.2249747), wk = 0.0035336 k( 151) = ( 0.2073171 0.1196946 0.2249747), wk = 0.0035336 k( 152) = ( 0.2195122 0.1267354 0.2249747), wk = 0.0035336 k( 153) = ( 0.2317073 0.1337763 0.2249747), wk = 0.0035336 k( 154) = ( 0.2439024 0.1408171 0.2249747), wk = 0.0035336 k( 155) = ( 0.2560976 0.1478580 0.2249747), wk = 0.0035336 k( 156) = ( 0.2682927 0.1548989 0.2249747), wk = 0.0035336 k( 157) = ( 0.2804878 0.1619397 0.2249747), wk = 0.0035336 k( 158) = ( 0.2926829 0.1689806 0.2249747), wk = 0.0035336 k( 159) = ( 0.3048781 0.1760214 0.2249747), wk = 0.0035336 k( 160) = ( 0.3170732 0.1830623 0.2249747), wk = 0.0035336 k( 161) = ( 0.3292683 0.1901031 0.2249747), wk = 0.0035336 k( 162) = ( 0.3414634 0.1971440 0.2249747), wk = 0.0035336 k( 163) = ( 0.3536585 0.2041849 0.2249747), wk = 0.0035336 k( 164) = ( 0.3658537 0.2112257 0.2249747), wk = 0.0035336 k( 165) = ( 0.3780488 0.2182666 0.2249747), wk = 0.0035336 k( 166) = ( 0.3902439 0.2253074 0.2249747), wk = 0.0035336 k( 167) = ( 0.4024390 0.2323483 0.2249747), wk = 0.0035336 k( 168) = ( 0.4146341 0.2393891 0.2249747), wk = 0.0035336 k( 169) = ( 0.4268293 0.2464300 0.2249747), wk = 0.0035336 k( 170) = ( 0.4390244 0.2534708 0.2249747), wk = 0.0035336 k( 171) = ( 0.4512195 0.2605117 0.2249747), wk = 0.0035336 k( 172) = ( 0.4634146 0.2675526 0.2249747), wk = 0.0035336 k( 173) = ( 0.4756098 0.2745934 0.2249747), wk = 0.0035336 k( 174) = ( 0.4878049 0.2816343 0.2249747), wk = 0.0035336 k( 175) = ( 0.5000000 0.2886751 0.2249747), wk = 0.0035336 k( 176) = ( 0.5000000 0.2886751 0.2249747), wk = 0.0035336 k( 177) = ( 0.4930556 0.3007033 0.2249747), wk = 0.0035336 k( 178) = ( 0.4861111 0.3127314 0.2249747), wk = 0.0035336 k( 179) = ( 0.4791667 0.3247595 0.2249747), wk = 0.0035336 k( 180) = ( 0.4722222 0.3367877 0.2249747), wk = 0.0035336 k( 181) = ( 0.4652778 0.3488158 0.2249747), wk = 0.0035336 k( 182) = ( 0.4583333 0.3608439 0.2249747), wk = 0.0035336 k( 183) = ( 0.4513889 0.3728720 0.2249747), wk = 0.0035336 k( 184) = ( 0.4444444 0.3849002 0.2249747), wk = 0.0035336 k( 185) = ( 0.4375000 0.3969283 0.2249747), wk = 0.0035336 k( 186) = ( 0.4305556 0.4089564 0.2249747), wk = 0.0035336 k( 187) = ( 0.4236111 0.4209846 0.2249747), wk = 0.0035336 k( 188) = ( 0.4166667 0.4330127 0.2249747), wk = 0.0035336 k( 189) = ( 0.4097222 0.4450408 0.2249747), wk = 0.0035336 k( 190) = ( 0.4027778 0.4570690 0.2249747), wk = 0.0035336 k( 191) = ( 0.3958333 0.4690971 0.2249747), wk = 0.0035336 k( 192) = ( 0.3888889 0.4811252 0.2249747), wk = 0.0035336 k( 193) = ( 0.3819444 0.4931534 0.2249747), wk = 0.0035336 k( 194) = ( 0.3750000 0.5051815 0.2249747), wk = 0.0035336 k( 195) = ( 0.3680556 0.5172096 0.2249747), wk = 0.0035336 k( 196) = ( 0.3611111 0.5292377 0.2249747), wk = 0.0035336 k( 197) = ( 0.3541667 0.5412659 0.2249747), wk = 0.0035336 k( 198) = ( 0.3472222 0.5532940 0.2249747), wk = 0.0035336 k( 199) = ( 0.3402778 0.5653221 0.2249747), wk = 0.0035336 k( 200) = ( 0.3333333 0.5773503 0.2249747), wk = 0.0035336 k( 201) = ( 0.3333333 0.5773503 0.2249747), wk = 0.0035336 k( 202) = ( 0.3263889 0.5653221 0.2249747), wk = 0.0035336 k( 203) = ( 0.3194444 0.5532940 0.2249747), wk = 0.0035336 k( 204) = ( 0.3125000 0.5412659 0.2249747), wk = 0.0035336 k( 205) = ( 0.3055556 0.5292378 0.2249747), wk = 0.0035336 k( 206) = ( 0.2986111 0.5172096 0.2249747), wk = 0.0035336 k( 207) = ( 0.2916667 0.5051815 0.2249747), wk = 0.0035336 k( 208) = ( 0.2847222 0.4931534 0.2249747), wk = 0.0035336 k( 209) = ( 0.2777778 0.4811252 0.2249747), wk = 0.0035336 k( 210) = ( 0.2708333 0.4690971 0.2249747), wk = 0.0035336 k( 211) = ( 0.2638889 0.4570690 0.2249747), wk = 0.0035336 k( 212) = ( 0.2569444 0.4450408 0.2249747), wk = 0.0035336 k( 213) = ( 0.2500000 0.4330127 0.2249747), wk = 0.0035336 k( 214) = ( 0.2430556 0.4209846 0.2249747), wk = 0.0035336 k( 215) = ( 0.2361111 0.4089564 0.2249747), wk = 0.0035336 k( 216) = ( 0.2291667 0.3969283 0.2249747), wk = 0.0035336 k( 217) = ( 0.2222222 0.3849002 0.2249747), wk = 0.0035336 k( 218) = ( 0.2152778 0.3728721 0.2249747), wk = 0.0035336 k( 219) = ( 0.2083333 0.3608439 0.2249747), wk = 0.0035336 k( 220) = ( 0.2013889 0.3488158 0.2249747), wk = 0.0035336 k( 221) = ( 0.1944444 0.3367876 0.2249747), wk = 0.0035336 k( 222) = ( 0.1875000 0.3247595 0.2249747), wk = 0.0035336 k( 223) = ( 0.1805556 0.3127314 0.2249747), wk = 0.0035336 k( 224) = ( 0.1736111 0.3007033 0.2249747), wk = 0.0035336 k( 225) = ( 0.1666667 0.2886751 0.2249747), wk = 0.0035336 k( 226) = ( 0.1597222 0.2766470 0.2249747), wk = 0.0035336 k( 227) = ( 0.1527778 0.2646189 0.2249747), wk = 0.0035336 k( 228) = ( 0.1458333 0.2525907 0.2249747), wk = 0.0035336 k( 229) = ( 0.1388889 0.2405626 0.2249747), wk = 0.0035336 k( 230) = ( 0.1319444 0.2285345 0.2249747), wk = 0.0035336 k( 231) = ( 0.1250000 0.2165064 0.2249747), wk = 0.0035336 k( 232) = ( 0.1180556 0.2044782 0.2249747), wk = 0.0035336 k( 233) = ( 0.1111111 0.1924501 0.2249747), wk = 0.0035336 k( 234) = ( 0.1041667 0.1804220 0.2249747), wk = 0.0035336 k( 235) = ( 0.0972222 0.1683938 0.2249747), wk = 0.0035336 k( 236) = ( 0.0902778 0.1563657 0.2249747), wk = 0.0035336 k( 237) = ( 0.0833333 0.1443376 0.2249747), wk = 0.0035336 k( 238) = ( 0.0763889 0.1323094 0.2249747), wk = 0.0035336 k( 239) = ( 0.0694444 0.1202813 0.2249747), wk = 0.0035336 k( 240) = ( 0.0625000 0.1082532 0.2249747), wk = 0.0035336 k( 241) = ( 0.0555556 0.0962251 0.2249747), wk = 0.0035336 k( 242) = ( 0.0486111 0.0841969 0.2249747), wk = 0.0035336 k( 243) = ( 0.0416667 0.0721688 0.2249747), wk = 0.0035336 k( 244) = ( 0.0347222 0.0601406 0.2249747), wk = 0.0035336 k( 245) = ( 0.0277778 0.0481125 0.2249747), wk = 0.0035336 k( 246) = ( 0.0208333 0.0360844 0.2249747), wk = 0.0035336 k( 247) = ( 0.0138889 0.0240563 0.2249747), wk = 0.0035336 k( 248) = ( 0.0069444 0.0120281 0.2249747), wk = 0.0035336 k( 249) = ( 0.0000000 0.0000000 0.2249747), wk = 0.0035336 k( 250) = ( 0.5000000 0.2886751 0.2249747), wk = 0.0035336 k( 251) = ( 0.5000000 0.2886751 0.2109138), wk = 0.0035336 k( 252) = ( 0.5000000 0.2886751 0.1968529), wk = 0.0035336 k( 253) = ( 0.5000000 0.2886751 0.1827920), wk = 0.0035336 k( 254) = ( 0.5000000 0.2886751 0.1687310), wk = 0.0035336 k( 255) = ( 0.5000000 0.2886751 0.1546701), wk = 0.0035336 k( 256) = ( 0.5000000 0.2886751 0.1406092), wk = 0.0035336 k( 257) = ( 0.5000000 0.2886751 0.1265483), wk = 0.0035336 k( 258) = ( 0.5000000 0.2886751 0.1124874), wk = 0.0035336 k( 259) = ( 0.5000000 0.2886751 0.0984264), wk = 0.0035336 k( 260) = ( 0.5000000 0.2886751 0.0843655), wk = 0.0035336 k( 261) = ( 0.5000000 0.2886751 0.0703046), wk = 0.0035336 k( 262) = ( 0.5000000 0.2886751 0.0562437), wk = 0.0035336 k( 263) = ( 0.5000000 0.2886751 0.0421828), wk = 0.0035336 k( 264) = ( 0.5000000 0.2886751 0.0281218), wk = 0.0035336 k( 265) = ( 0.5000000 0.2886751 0.0140609), wk = 0.0035336 k( 266) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035336 k( 267) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035336 k( 268) = ( 0.3333333 0.5773503 0.0140609), wk = 0.0035336 k( 269) = ( 0.3333333 0.5773503 0.0281218), wk = 0.0035336 k( 270) = ( 0.3333333 0.5773503 0.0421828), wk = 0.0035336 k( 271) = ( 0.3333333 0.5773503 0.0562437), wk = 0.0035336 k( 272) = ( 0.3333333 0.5773503 0.0703046), wk = 0.0035336 k( 273) = ( 0.3333333 0.5773503 0.0843655), wk = 0.0035336 k( 274) = ( 0.3333333 0.5773503 0.0984264), wk = 0.0035336 k( 275) = ( 0.3333333 0.5773503 0.1124874), wk = 0.0035336 k( 276) = ( 0.3333333 0.5773503 0.1265483), wk = 0.0035336 k( 277) = ( 0.3333333 0.5773503 0.1406092), wk = 0.0035336 k( 278) = ( 0.3333333 0.5773503 0.1546701), wk = 0.0035336 k( 279) = ( 0.3333333 0.5773503 0.1687310), wk = 0.0035336 k( 280) = ( 0.3333333 0.5773503 0.1827920), wk = 0.0035336 k( 281) = ( 0.3333333 0.5773503 0.1968529), wk = 0.0035336 k( 282) = ( 0.3333333 0.5773503 0.2109138), wk = 0.0035336 k( 283) = ( 0.3333333 0.5773503 0.2249747), wk = 0.0035336 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 2) = ( 0.0121951 0.0000000 0.0000000), wk = 0.0035336 k( 3) = ( 0.0243902 0.0000000 0.0000000), wk = 0.0035336 k( 4) = ( 0.0365854 0.0000000 0.0000000), wk = 0.0035336 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0035336 k( 6) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0035336 k( 7) = ( 0.0731707 0.0000000 0.0000000), wk = 0.0035336 k( 8) = ( 0.0853658 0.0000000 0.0000000), wk = 0.0035336 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0035336 k( 10) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0035336 k( 11) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0035336 k( 12) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0035336 k( 13) = ( 0.1463415 0.0000000 0.0000000), wk = 0.0035336 k( 14) = ( 0.1585366 0.0000000 0.0000000), wk = 0.0035336 k( 15) = ( 0.1707317 0.0000000 0.0000000), wk = 0.0035336 k( 16) = ( 0.1829268 0.0000000 0.0000000), wk = 0.0035336 k( 17) = ( 0.1951219 0.0000000 0.0000000), wk = 0.0035336 k( 18) = ( 0.2073171 0.0000000 0.0000000), wk = 0.0035336 k( 19) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0035336 k( 20) = ( 0.2317073 0.0000000 0.0000000), wk = 0.0035336 k( 21) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0035336 k( 22) = ( 0.2560976 0.0000000 0.0000000), wk = 0.0035336 k( 23) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0035336 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0035336 k( 25) = ( 0.2926829 0.0000000 0.0000000), wk = 0.0035336 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0035336 k( 27) = ( 0.3170732 0.0000000 0.0000000), wk = 0.0035336 k( 28) = ( 0.3292683 0.0000000 0.0000000), wk = 0.0035336 k( 29) = ( 0.3414634 0.0000000 0.0000000), wk = 0.0035336 k( 30) = ( 0.3536585 0.0000000 0.0000000), wk = 0.0035336 k( 31) = ( 0.3658537 0.0000000 0.0000000), wk = 0.0035336 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0035336 k( 33) = ( 0.3902439 0.0000000 0.0000000), wk = 0.0035336 k( 34) = ( 0.4024390 0.0000000 0.0000000), wk = 0.0035336 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0035336 k( 36) = ( 0.4268293 0.0000000 0.0000000), wk = 0.0035336 k( 37) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0035336 k( 38) = ( 0.4512195 0.0000000 0.0000000), wk = 0.0035336 k( 39) = ( 0.4634146 0.0000000 0.0000000), wk = 0.0035336 k( 40) = ( 0.4756098 0.0000000 0.0000000), wk = 0.0035336 k( 41) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0035336 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035336 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035336 k( 44) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0035336 k( 45) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0035336 k( 46) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0035336 k( 47) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0035336 k( 48) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0035336 k( 49) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0035336 k( 50) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0035336 k( 51) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0035336 k( 52) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0035336 k( 53) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0035336 k( 54) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0035336 k( 55) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0035336 k( 56) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0035336 k( 57) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0035336 k( 58) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0035336 k( 59) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0035336 k( 60) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0035336 k( 61) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0035336 k( 62) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0035336 k( 63) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0035336 k( 64) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0035336 k( 65) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0035336 k( 66) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0035336 k( 67) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035336 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035336 k( 69) = ( 0.3263889 0.3263889 0.0000000), wk = 0.0035336 k( 70) = ( 0.3194444 0.3194444 0.0000000), wk = 0.0035336 k( 71) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0035336 k( 72) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0035336 k( 73) = ( 0.2986111 0.2986111 0.0000000), wk = 0.0035336 k( 74) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0035336 k( 75) = ( 0.2847222 0.2847222 0.0000000), wk = 0.0035336 k( 76) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0035336 k( 77) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0035336 k( 78) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0035336 k( 79) = ( 0.2569444 0.2569444 0.0000000), wk = 0.0035336 k( 80) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0035336 k( 81) = ( 0.2430556 0.2430556 0.0000000), wk = 0.0035336 k( 82) = ( 0.2361111 0.2361111 0.0000000), wk = 0.0035336 k( 83) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0035336 k( 84) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0035336 k( 85) = ( 0.2152778 0.2152778 0.0000000), wk = 0.0035336 k( 86) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0035336 k( 87) = ( 0.2013889 0.2013889 0.0000000), wk = 0.0035336 k( 88) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0035336 k( 89) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0035336 k( 90) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0035336 k( 91) = ( 0.1736111 0.1736111 0.0000000), wk = 0.0035336 k( 92) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0035336 k( 93) = ( 0.1597222 0.1597222 0.0000000), wk = 0.0035336 k( 94) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0035336 k( 95) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0035336 k( 96) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0035336 k( 97) = ( 0.1319444 0.1319444 0.0000000), wk = 0.0035336 k( 98) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0035336 k( 99) = ( 0.1180556 0.1180556 0.0000000), wk = 0.0035336 k( 100) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0035336 k( 101) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0035336 k( 102) = ( 0.0972222 0.0972222 0.0000000), wk = 0.0035336 k( 103) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0035336 k( 104) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0035336 k( 105) = ( 0.0763889 0.0763889 0.0000000), wk = 0.0035336 k( 106) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0035336 k( 107) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0035336 k( 108) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0035336 k( 109) = ( 0.0486111 0.0486111 0.0000000), wk = 0.0035336 k( 110) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0035336 k( 111) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0035336 k( 112) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0035336 k( 113) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0035336 k( 114) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0035336 k( 115) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0035336 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 118) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0035336 k( 119) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0035336 k( 120) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0035336 k( 121) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035336 k( 122) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0035336 k( 123) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0035336 k( 124) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0035336 k( 125) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035336 k( 126) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0035336 k( 127) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0035336 k( 128) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0035336 k( 129) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035336 k( 130) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0035336 k( 131) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0035336 k( 132) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0035336 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035336 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035336 k( 135) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0035336 k( 136) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0035336 k( 137) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0035336 k( 138) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0035336 k( 139) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0035336 k( 140) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0035336 k( 141) = ( 0.0853658 0.0000000 0.5000000), wk = 0.0035336 k( 142) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0035336 k( 143) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0035336 k( 144) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0035336 k( 145) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0035336 k( 146) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0035336 k( 147) = ( 0.1585366 0.0000000 0.5000000), wk = 0.0035336 k( 148) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0035336 k( 149) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0035336 k( 150) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0035336 k( 151) = ( 0.2073171 0.0000000 0.5000000), wk = 0.0035336 k( 152) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0035336 k( 153) = ( 0.2317073 0.0000000 0.5000000), wk = 0.0035336 k( 154) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0035336 k( 155) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0035336 k( 156) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0035336 k( 157) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0035336 k( 158) = ( 0.2926829 0.0000000 0.5000000), wk = 0.0035336 k( 159) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0035336 k( 160) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0035336 k( 161) = ( 0.3292683 0.0000000 0.5000000), wk = 0.0035336 k( 162) = ( 0.3414634 0.0000000 0.5000000), wk = 0.0035336 k( 163) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0035336 k( 164) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0035336 k( 165) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0035336 k( 166) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0035336 k( 167) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0035336 k( 168) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0035336 k( 169) = ( 0.4268293 0.0000000 0.5000000), wk = 0.0035336 k( 170) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0035336 k( 171) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0035336 k( 172) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0035336 k( 173) = ( 0.4756098 0.0000000 0.5000000), wk = 0.0035336 k( 174) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0035336 k( 175) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035336 k( 176) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035336 k( 177) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0035336 k( 178) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0035336 k( 179) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0035336 k( 180) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0035336 k( 181) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0035336 k( 182) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0035336 k( 183) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0035336 k( 184) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0035336 k( 185) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0035336 k( 186) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0035336 k( 187) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0035336 k( 188) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0035336 k( 189) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0035336 k( 190) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0035336 k( 191) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0035336 k( 192) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0035336 k( 193) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0035336 k( 194) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0035336 k( 195) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0035336 k( 196) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0035336 k( 197) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0035336 k( 198) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0035336 k( 199) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0035336 k( 200) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035336 k( 201) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035336 k( 202) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0035336 k( 203) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0035336 k( 204) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0035336 k( 205) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0035336 k( 206) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0035336 k( 207) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0035336 k( 208) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0035336 k( 209) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0035336 k( 210) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0035336 k( 211) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0035336 k( 212) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0035336 k( 213) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0035336 k( 214) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0035336 k( 215) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0035336 k( 216) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0035336 k( 217) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0035336 k( 218) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0035336 k( 219) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0035336 k( 220) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0035336 k( 221) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0035336 k( 222) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0035336 k( 223) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0035336 k( 224) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0035336 k( 225) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0035336 k( 226) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0035336 k( 227) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0035336 k( 228) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0035336 k( 229) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0035336 k( 230) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0035336 k( 231) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0035336 k( 232) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0035336 k( 233) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0035336 k( 234) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0035336 k( 235) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0035336 k( 236) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0035336 k( 237) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0035336 k( 238) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0035336 k( 239) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0035336 k( 240) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0035336 k( 241) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0035336 k( 242) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0035336 k( 243) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0035336 k( 244) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0035336 k( 245) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0035336 k( 246) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0035336 k( 247) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0035336 k( 248) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0035336 k( 249) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035336 k( 250) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035336 k( 251) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0035336 k( 252) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0035336 k( 253) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0035336 k( 254) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0035336 k( 255) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0035336 k( 256) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0035336 k( 257) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0035336 k( 258) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0035336 k( 259) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0035336 k( 260) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0035336 k( 261) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0035336 k( 262) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0035336 k( 263) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0035336 k( 264) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0035336 k( 265) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0035336 k( 266) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035336 k( 267) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035336 k( 268) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0035336 k( 269) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0035336 k( 270) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0035336 k( 271) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0035336 k( 272) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0035336 k( 273) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0035336 k( 274) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0035336 k( 275) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0035336 k( 276) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0035336 k( 277) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0035336 k( 278) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0035336 k( 279) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0035336 k( 280) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0035336 k( 281) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0035336 k( 282) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0035336 k( 283) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035336 Dense grid: 164077 G-vectors FFT dimensions: ( 60, 60, 125) Smooth grid: 43729 G-vectors FFT dimensions: ( 36, 36, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 340, 64) NL pseudopotentials 0.53 Mb ( 170, 204) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.04 Mb ( 5132) G-vector shells 0.02 Mb ( 2430) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.33 Mb ( 340, 256) Each subspace H/S matrix 1.00 Mb ( 256, 256) Each matrix 0.40 Mb ( 204, 2, 64) The potential is recalculated from file : ./HgTe.save/charge-density.dat Starting wfc are 78 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.9 secs Computing kpt #: 2 total cpu time spent up to now is 8.2 secs Computing kpt #: 3 total cpu time spent up to now is 10.6 secs Computing kpt #: 4 total cpu time spent up to now is 13.0 secs Computing kpt #: 5 total cpu time spent up to now is 15.4 secs Computing kpt #: 6 total cpu time spent up to now is 17.8 secs Computing kpt #: 7 total cpu time spent up to now is 20.2 secs Computing kpt #: 8 total cpu time spent up to now is 22.5 secs Computing kpt #: 9 total cpu time spent up to now is 24.9 secs Computing kpt #: 10 total cpu time spent up to now is 27.3 secs Computing kpt #: 11 total cpu time spent up to now is 29.7 secs Computing kpt #: 12 total cpu time spent up to now is 32.2 secs Computing kpt #: 13 total cpu time spent up to now is 34.9 secs Computing kpt #: 14 total cpu time spent up to now is 37.7 secs Computing kpt #: 15 total cpu time spent up to now is 40.7 secs Computing kpt #: 16 total cpu time spent up to now is 43.8 secs Computing kpt #: 17 total cpu time spent up to now is 47.7 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.7 secs Computing kpt #: 19 total cpu time spent up to now is 54.8 secs Computing kpt #: 20 total cpu time spent up to now is 57.9 secs Computing kpt #: 21 total cpu time spent up to now is 60.7 secs Computing kpt #: 22 total cpu time spent up to now is 63.5 secs Computing kpt #: 23 total cpu time spent up to now is 66.3 secs Computing kpt #: 24 total cpu time spent up to now is 69.3 secs Computing kpt #: 25 total cpu time spent up to now is 72.1 secs Computing kpt #: 26 total cpu time spent up to now is 74.8 secs Computing kpt #: 27 total cpu time spent up to now is 77.2 secs Computing kpt #: 28 total cpu time spent up to now is 79.7 secs Computing kpt #: 29 total cpu time spent up to now is 82.2 secs Computing kpt #: 30 total cpu time spent up to now is 84.7 secs Computing kpt #: 31 total cpu time spent up to now is 87.1 secs Computing kpt #: 32 total cpu time spent up to now is 89.6 secs Computing kpt #: 33 total cpu time spent up to now is 92.1 secs Computing kpt #: 34 total cpu time spent up to now is 94.5 secs Computing kpt #: 35 total cpu time spent up to now is 97.0 secs Computing kpt #: 36 total cpu time spent up to now is 99.5 secs Computing kpt #: 37 total cpu time spent up to now is 101.9 secs Computing kpt #: 38 total cpu time spent up to now is 104.4 secs Computing kpt #: 39 total cpu time spent up to now is 106.8 secs Computing kpt #: 40 total cpu time spent up to now is 109.3 secs Computing kpt #: 41 total cpu time spent up to now is 111.7 secs Computing kpt #: 42 total cpu time spent up to now is 114.1 secs Computing kpt #: 43 total cpu time spent up to now is 116.5 secs Computing kpt #: 44 total cpu time spent up to now is 118.8 secs Computing kpt #: 45 total cpu time spent up to now is 121.3 secs Computing kpt #: 46 total cpu time spent up to now is 123.8 secs Computing kpt #: 47 total cpu time spent up to now is 126.3 secs Computing kpt #: 48 total cpu time spent up to now is 128.8 secs Computing kpt #: 49 total cpu time spent up to now is 131.3 secs Computing kpt #: 50 total cpu time spent up to now is 134.0 secs Computing kpt #: 51 total cpu time spent up to now is 136.8 secs Computing kpt #: 52 total cpu time spent up to now is 139.4 secs Computing kpt #: 53 total cpu time spent up to now is 141.9 secs Computing kpt #: 54 total cpu time spent up to now is 144.4 secs Computing kpt #: 55 total cpu time spent up to now is 146.8 secs Computing kpt #: 56 total cpu time spent up to now is 149.3 secs Computing kpt #: 57 total cpu time spent up to now is 155.0 secs Computing kpt #: 58 total cpu time spent up to now is 157.5 secs Computing kpt #: 59 total cpu time spent up to now is 160.0 secs Computing kpt #: 60 total cpu time spent up to now is 162.5 secs Computing kpt #: 61 total cpu time spent up to now is 165.0 secs Computing kpt #: 62 total cpu time spent up to now is 167.7 secs Computing kpt #: 63 total cpu time spent up to now is 170.4 secs Computing kpt #: 64 total cpu time spent up to now is 173.3 secs Computing kpt #: 65 total cpu time spent up to now is 176.1 secs Computing kpt #: 66 total cpu time spent up to now is 179.2 secs Computing kpt #: 67 total cpu time spent up to now is 182.0 secs Computing kpt #: 68 total cpu time spent up to now is 184.7 secs Computing kpt #: 69 total cpu time spent up to now is 187.5 secs Computing kpt #: 70 total cpu time spent up to now is 190.3 secs Computing kpt #: 71 total cpu time spent up to now is 193.5 secs Computing kpt #: 72 total cpu time spent up to now is 196.3 secs Computing kpt #: 73 total cpu time spent up to now is 199.2 secs Computing kpt #: 74 total cpu time spent up to now is 202.0 secs Computing kpt #: 75 total cpu time spent up to now is 204.9 secs Computing kpt #: 76 total cpu time spent up to now is 207.7 secs Computing kpt #: 77 total cpu time spent up to now is 211.7 secs Computing kpt #: 78 total cpu time spent up to now is 215.2 secs Computing kpt #: 79 total cpu time spent up to now is 218.8 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 222.8 secs Computing kpt #: 81 total cpu time spent up to now is 226.7 secs Computing kpt #: 82 total cpu time spent up to now is 230.0 secs Computing kpt #: 83 total cpu time spent up to now is 233.0 secs Computing kpt #: 84 total cpu time spent up to now is 236.2 secs Computing kpt #: 85 total cpu time spent up to now is 239.3 secs Computing kpt #: 86 total cpu time spent up to now is 242.0 secs Computing kpt #: 87 total cpu time spent up to now is 244.7 secs Computing kpt #: 88 total cpu time spent up to now is 247.4 secs Computing kpt #: 89 total cpu time spent up to now is 250.2 secs Computing kpt #: 90 total cpu time spent up to now is 252.8 secs Computing kpt #: 91 total cpu time spent up to now is 255.4 secs Computing kpt #: 92 total cpu time spent up to now is 258.2 secs Computing kpt #: 93 total cpu time spent up to now is 261.2 secs Computing kpt #: 94 total cpu time spent up to now is 264.2 secs Computing kpt #: 95 total cpu time spent up to now is 267.2 secs Computing kpt #: 96 total cpu time spent up to now is 270.2 secs Computing kpt #: 97 total cpu time spent up to now is 273.4 secs Computing kpt #: 98 total cpu time spent up to now is 277.3 secs Computing kpt #: 99 total cpu time spent up to now is 281.1 secs Computing kpt #: 100 total cpu time spent up to now is 284.7 secs Computing kpt #: 101 total cpu time spent up to now is 288.2 secs Computing kpt #: 102 total cpu time spent up to now is 291.0 secs Computing kpt #: 103 total cpu time spent up to now is 293.7 secs Computing kpt #: 104 total cpu time spent up to now is 296.3 secs Computing kpt #: 105 total cpu time spent up to now is 298.7 secs Computing kpt #: 106 total cpu time spent up to now is 301.1 secs Computing kpt #: 107 total cpu time spent up to now is 303.4 secs Computing kpt #: 108 total cpu time spent up to now is 305.8 secs Computing kpt #: 109 total cpu time spent up to now is 308.2 secs Computing kpt #: 110 total cpu time spent up to now is 310.5 secs Computing kpt #: 111 total cpu time spent up to now is 312.9 secs Computing kpt #: 112 total cpu time spent up to now is 315.3 secs Computing kpt #: 113 total cpu time spent up to now is 317.6 secs Computing kpt #: 114 total cpu time spent up to now is 320.0 secs Computing kpt #: 115 total cpu time spent up to now is 322.3 secs Computing kpt #: 116 total cpu time spent up to now is 324.6 secs Computing kpt #: 117 total cpu time spent up to now is 326.9 secs Computing kpt #: 118 total cpu time spent up to now is 329.3 secs Computing kpt #: 119 total cpu time spent up to now is 331.6 secs Computing kpt #: 120 total cpu time spent up to now is 334.0 secs Computing kpt #: 121 total cpu time spent up to now is 336.4 secs Computing kpt #: 122 total cpu time spent up to now is 338.7 secs Computing kpt #: 123 total cpu time spent up to now is 341.1 secs Computing kpt #: 124 total cpu time spent up to now is 343.7 secs Computing kpt #: 125 total cpu time spent up to now is 346.6 secs Computing kpt #: 126 total cpu time spent up to now is 349.6 secs Computing kpt #: 127 total cpu time spent up to now is 353.3 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 357.2 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 361.1 secs Computing kpt #: 130 total cpu time spent up to now is 364.9 secs Computing kpt #: 131 total cpu time spent up to now is 368.4 secs Computing kpt #: 132 total cpu time spent up to now is 371.7 secs Computing kpt #: 133 total cpu time spent up to now is 374.6 secs Computing kpt #: 134 total cpu time spent up to now is 377.9 secs Computing kpt #: 135 total cpu time spent up to now is 381.6 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 385.6 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 389.5 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 393.5 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 397.4 secs Computing kpt #: 140 total cpu time spent up to now is 401.0 secs Computing kpt #: 141 total cpu time spent up to now is 404.1 secs Computing kpt #: 142 total cpu time spent up to now is 407.3 secs Computing kpt #: 143 total cpu time spent up to now is 410.4 secs Computing kpt #: 144 total cpu time spent up to now is 413.5 secs Computing kpt #: 145 total cpu time spent up to now is 416.3 secs Computing kpt #: 146 total cpu time spent up to now is 419.3 secs Computing kpt #: 147 total cpu time spent up to now is 422.3 secs Computing kpt #: 148 total cpu time spent up to now is 425.3 secs Computing kpt #: 149 total cpu time spent up to now is 428.1 secs Computing kpt #: 150 total cpu time spent up to now is 430.8 secs Computing kpt #: 151 total cpu time spent up to now is 433.5 secs Computing kpt #: 152 total cpu time spent up to now is 436.5 secs Computing kpt #: 153 total cpu time spent up to now is 439.2 secs Computing kpt #: 154 total cpu time spent up to now is 442.0 secs Computing kpt #: 155 total cpu time spent up to now is 445.0 secs Computing kpt #: 156 total cpu time spent up to now is 447.8 secs Computing kpt #: 157 total cpu time spent up to now is 453.8 secs Computing kpt #: 158 total cpu time spent up to now is 456.9 secs Computing kpt #: 159 total cpu time spent up to now is 459.6 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 463.6 secs Computing kpt #: 161 total cpu time spent up to now is 466.5 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 470.5 secs Computing kpt #: 163 total cpu time spent up to now is 473.2 secs Computing kpt #: 164 total cpu time spent up to now is 475.8 secs Computing kpt #: 165 total cpu time spent up to now is 478.5 secs Computing kpt #: 166 total cpu time spent up to now is 480.9 secs Computing kpt #: 167 total cpu time spent up to now is 483.5 secs Computing kpt #: 168 total cpu time spent up to now is 486.0 secs Computing kpt #: 169 total cpu time spent up to now is 488.5 secs Computing kpt #: 170 total cpu time spent up to now is 491.0 secs Computing kpt #: 171 total cpu time spent up to now is 493.5 secs Computing kpt #: 172 total cpu time spent up to now is 495.9 secs Computing kpt #: 173 total cpu time spent up to now is 498.4 secs Computing kpt #: 174 total cpu time spent up to now is 500.8 secs Computing kpt #: 175 total cpu time spent up to now is 503.2 secs Computing kpt #: 176 total cpu time spent up to now is 505.6 secs Computing kpt #: 177 total cpu time spent up to now is 508.1 secs Computing kpt #: 178 total cpu time spent up to now is 510.5 secs Computing kpt #: 179 total cpu time spent up to now is 513.0 secs Computing kpt #: 180 total cpu time spent up to now is 515.5 secs Computing kpt #: 181 total cpu time spent up to now is 518.0 secs Computing kpt #: 182 total cpu time spent up to now is 520.5 secs Computing kpt #: 183 total cpu time spent up to now is 523.1 secs Computing kpt #: 184 total cpu time spent up to now is 525.7 secs Computing kpt #: 185 total cpu time spent up to now is 528.3 secs Computing kpt #: 186 total cpu time spent up to now is 530.9 secs Computing kpt #: 187 total cpu time spent up to now is 533.6 secs Computing kpt #: 188 total cpu time spent up to now is 536.2 secs Computing kpt #: 189 total cpu time spent up to now is 538.9 secs Computing kpt #: 190 total cpu time spent up to now is 541.7 secs Computing kpt #: 191 total cpu time spent up to now is 544.4 secs Computing kpt #: 192 total cpu time spent up to now is 547.3 secs Computing kpt #: 193 total cpu time spent up to now is 550.0 secs Computing kpt #: 194 total cpu time spent up to now is 552.7 secs Computing kpt #: 195 total cpu time spent up to now is 555.4 secs Computing kpt #: 196 total cpu time spent up to now is 558.1 secs Computing kpt #: 197 total cpu time spent up to now is 560.6 secs Computing kpt #: 198 total cpu time spent up to now is 563.1 secs Computing kpt #: 199 total cpu time spent up to now is 565.6 secs Computing kpt #: 200 total cpu time spent up to now is 568.1 secs Computing kpt #: 201 total cpu time spent up to now is 570.7 secs Computing kpt #: 202 total cpu time spent up to now is 573.3 secs Computing kpt #: 203 total cpu time spent up to now is 576.0 secs Computing kpt #: 204 total cpu time spent up to now is 578.7 secs Computing kpt #: 205 total cpu time spent up to now is 581.3 secs Computing kpt #: 206 total cpu time spent up to now is 584.0 secs Computing kpt #: 207 total cpu time spent up to now is 586.6 secs Computing kpt #: 208 total cpu time spent up to now is 589.0 secs Computing kpt #: 209 total cpu time spent up to now is 591.5 secs Computing kpt #: 210 total cpu time spent up to now is 593.9 secs Computing kpt #: 211 total cpu time spent up to now is 596.2 secs Computing kpt #: 212 total cpu time spent up to now is 598.6 secs Computing kpt #: 213 total cpu time spent up to now is 601.0 secs Computing kpt #: 214 total cpu time spent up to now is 603.5 secs Computing kpt #: 215 total cpu time spent up to now is 605.9 secs Computing kpt #: 216 total cpu time spent up to now is 608.3 secs Computing kpt #: 217 total cpu time spent up to now is 610.7 secs Computing kpt #: 218 total cpu time spent up to now is 613.1 secs Computing kpt #: 219 total cpu time spent up to now is 615.5 secs Computing kpt #: 220 total cpu time spent up to now is 617.9 secs Computing kpt #: 221 total cpu time spent up to now is 620.3 secs Computing kpt #: 222 total cpu time spent up to now is 622.8 secs Computing kpt #: 223 total cpu time spent up to now is 625.2 secs Computing kpt #: 224 total cpu time spent up to now is 627.7 secs Computing kpt #: 225 total cpu time spent up to now is 630.3 secs Computing kpt #: 226 total cpu time spent up to now is 632.7 secs Computing kpt #: 227 total cpu time spent up to now is 635.3 secs Computing kpt #: 228 total cpu time spent up to now is 638.0 secs Computing kpt #: 229 total cpu time spent up to now is 640.7 secs Computing kpt #: 230 total cpu time spent up to now is 643.5 secs Computing kpt #: 231 total cpu time spent up to now is 646.3 secs Computing kpt #: 232 total cpu time spent up to now is 649.3 secs Computing kpt #: 233 total cpu time spent up to now is 652.0 secs Computing kpt #: 234 total cpu time spent up to now is 655.0 secs Computing kpt #: 235 total cpu time spent up to now is 658.0 secs Computing kpt #: 236 total cpu time spent up to now is 660.8 secs Computing kpt #: 237 total cpu time spent up to now is 663.8 secs Computing kpt #: 238 total cpu time spent up to now is 666.9 secs Computing kpt #: 239 total cpu time spent up to now is 669.9 secs Computing kpt #: 240 total cpu time spent up to now is 672.9 secs Computing kpt #: 241 total cpu time spent up to now is 676.0 secs Computing kpt #: 242 total cpu time spent up to now is 679.1 secs Computing kpt #: 243 total cpu time spent up to now is 682.5 secs Computing kpt #: 244 total cpu time spent up to now is 686.3 secs Computing kpt #: 245 total cpu time spent up to now is 690.2 secs Computing kpt #: 246 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 694.1 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 698.1 secs Computing kpt #: 248 total cpu time spent up to now is 701.8 secs Computing kpt #: 249 total cpu time spent up to now is 704.8 secs Computing kpt #: 250 total cpu time spent up to now is 707.2 secs Computing kpt #: 251 total cpu time spent up to now is 709.6 secs Computing kpt #: 252 total cpu time spent up to now is 712.1 secs Computing kpt #: 253 total cpu time spent up to now is 714.5 secs Computing kpt #: 254 total cpu time spent up to now is 717.1 secs Computing kpt #: 255 total cpu time spent up to now is 719.7 secs Computing kpt #: 256 total cpu time spent up to now is 722.4 secs Computing kpt #: 257 total cpu time spent up to now is 725.2 secs Computing kpt #: 258 total cpu time spent up to now is 727.8 secs Computing kpt #: 259 total cpu time spent up to now is 730.4 secs Computing kpt #: 260 total cpu time spent up to now is 732.9 secs Computing kpt #: 261 total cpu time spent up to now is 735.4 secs Computing kpt #: 262 total cpu time spent up to now is 737.8 secs Computing kpt #: 263 total cpu time spent up to now is 740.2 secs Computing kpt #: 264 total cpu time spent up to now is 742.6 secs Computing kpt #: 265 total cpu time spent up to now is 745.1 secs Computing kpt #: 266 total cpu time spent up to now is 747.5 secs Computing kpt #: 267 total cpu time spent up to now is 751.9 secs Computing kpt #: 268 total cpu time spent up to now is 756.1 secs Computing kpt #: 269 total cpu time spent up to now is 758.9 secs Computing kpt #: 270 total cpu time spent up to now is 761.6 secs Computing kpt #: 271 total cpu time spent up to now is 764.5 secs Computing kpt #: 272 total cpu time spent up to now is 767.5 secs Computing kpt #: 273 total cpu time spent up to now is 770.3 secs Computing kpt #: 274 total cpu time spent up to now is 773.7 secs Computing kpt #: 275 total cpu time spent up to now is 777.1 secs Computing kpt #: 276 total cpu time spent up to now is 779.8 secs Computing kpt #: 277 total cpu time spent up to now is 782.7 secs Computing kpt #: 278 total cpu time spent up to now is 785.4 secs Computing kpt #: 279 total cpu time spent up to now is 788.2 secs Computing kpt #: 280 total cpu time spent up to now is 791.0 secs Computing kpt #: 281 total cpu time spent up to now is 793.8 secs Computing kpt #: 282 total cpu time spent up to now is 796.3 secs Computing kpt #: 283 total cpu time spent up to now is 798.8 secs ethr = 1.85E-11, avg # of iterations = 53.0 total cpu time spent up to now is 798.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5469 PWs) bands (ev): -4.1776 -4.1776 -3.1843 -3.1843 -3.1581 -3.1581 -0.0388 -0.0388 0.0522 0.0522 0.1877 0.1877 0.3189 0.3189 0.3802 0.3802 0.4489 0.4489 1.3755 1.3755 1.4552 1.4552 1.7770 1.7770 1.8992 1.8992 1.9836 1.9836 2.0792 2.0792 2.1879 2.1879 2.2085 2.2085 2.2694 2.2694 3.7023 3.7023 3.8138 3.8138 6.2454 6.2454 6.9970 6.9970 7.1877 7.1877 7.3717 7.3717 8.0908 8.0908 8.2362 8.2362 8.5540 8.5540 8.6194 8.6194 10.6137 10.6137 10.6221 10.6221 11.6925 11.6925 11.8437 11.8437 k = 0.0122 0.0070-0.0000 ( 5451 PWs) bands (ev): -4.1768 -4.1765 -3.1839 -3.1839 -3.1578 -3.1578 -0.0387 -0.0387 0.0513 0.0534 0.1828 0.1930 0.3184 0.3195 0.3802 0.3802 0.4471 0.4511 1.3756 1.3757 1.4549 1.4560 1.7717 1.7826 1.8984 1.9001 1.9824 1.9848 2.0793 2.0793 2.1865 2.1891 2.2086 2.2086 2.2683 2.2708 3.7025 3.7025 3.8107 3.8173 6.2331 6.2506 6.9539 6.9824 7.1715 7.2106 7.3818 7.3829 8.0883 8.0895 8.2199 8.2449 8.5160 8.5880 8.6163 8.6345 10.6044 10.6240 10.6273 10.6361 11.6835 11.6844 11.8340 11.8454 k = 0.0244 0.0141-0.0000 ( 5459 PWs) bands (ev): -4.1741 -4.1734 -3.1829 -3.1829 -3.1568 -3.1568 -0.0383 -0.0383 0.0506 0.0547 0.1781 0.1986 0.3183 0.3203 0.3800 0.3801 0.4455 0.4536 1.3761 1.3763 1.4550 1.4574 1.7669 1.7886 1.8979 1.9011 1.9813 1.9861 2.0796 2.0797 2.1850 2.1902 2.2087 2.2090 2.2674 2.2724 3.7030 3.7033 3.8081 3.8211 6.2141 6.2482 6.8747 6.9161 7.1655 7.2250 7.4034 7.4098 8.0776 8.0873 8.1969 8.2450 8.4786 8.5975 8.6448 8.6606 10.6042 10.6337 10.6427 10.6697 11.6570 11.6631 11.8156 11.8405 k = 0.0366 0.0211-0.0000 ( 5451 PWs) bands (ev): -4.1694 -4.1684 -3.1813 -3.1812 -3.1552 -3.1551 -0.0376 -0.0376 0.0502 0.0562 0.1739 0.2043 0.3183 0.3214 0.3798 0.3799 0.4444 0.4564 1.3768 1.3775 1.4557 1.4591 1.7626 1.7951 1.8976 1.9022 1.9802 1.9876 2.0802 2.0803 2.1834 2.1909 2.2089 2.2097 2.2668 2.2743 3.7034 3.7047 3.8061 3.8254 6.1889 6.2377 6.7751 6.8232 7.1587 7.2300 7.4221 7.4388 8.0546 8.0848 8.1678 8.2355 8.4436 8.5978 8.6906 8.7006 10.6103 10.6474 10.6686 10.7147 11.6168 11.6339 11.7885 11.8306 k = 0.0488 0.0282-0.0000 ( 5447 PWs) bands (ev): -4.1628 -4.1614 -3.1792 -3.1789 -3.1529 -3.1526 -0.0367 -0.0366 0.0500 0.0579 0.1701 0.2103 0.3186 0.3227 0.3794 0.3798 0.4435 0.4596 1.3776 1.3792 1.4568 1.4614 1.7586 1.8019 1.8975 1.9034 1.9792 1.9891 2.0809 2.0812 2.1817 2.1915 2.2090 2.2109 2.2664 2.2764 3.7033 3.7064 3.8050 3.8301 6.1580 6.2185 6.6634 6.7187 7.1478 7.2288 7.4288 7.4599 8.0165 8.0803 8.1320 8.2163 8.4136 8.5991 8.7465 8.7555 10.6189 10.6624 10.7042 10.7685 11.5693 11.6024 11.7553 11.8179 k = 0.0610 0.0352-0.0000 ( 5449 PWs) bands (ev): -4.1543 -4.1526 -3.1766 -3.1760 -3.1500 -3.1494 -0.0355 -0.0353 0.0502 0.0596 0.1669 0.2164 0.3192 0.3241 0.3789 0.3796 0.4430 0.4631 1.3785 1.3815 1.4585 1.4641 1.7551 1.8090 1.8976 1.9047 1.9782 1.9908 2.0818 2.0823 2.1800 2.1917 2.2092 2.2126 2.2662 2.2787 3.7021 3.7083 3.8051 3.8354 6.1221 6.1895 6.5440 6.6098 7.1333 7.2228 7.4206 7.4693 7.9635 8.0710 8.0871 8.1890 8.3901 8.6016 8.8137 8.8246 10.6261 10.6751 10.7472 10.8273 11.5209 11.5739 11.7209 11.8050 k = 0.0732 0.0422-0.0000 ( 5453 PWs) bands (ev): -4.1439 -4.1418 -3.1735 -3.1726 -3.1464 -3.1454 -0.0341 -0.0338 0.0506 0.0614 0.1642 0.2227 0.3201 0.3257 0.3783 0.3795 0.4428 0.4670 1.3794 1.3844 1.4605 1.4673 1.7520 1.8164 1.8980 1.9060 1.9773 1.9926 2.0828 2.0837 2.1783 2.1917 2.2093 2.2148 2.2663 2.2813 3.6994 3.7098 3.8068 3.8417 6.0817 6.1489 6.4197 6.5019 7.1155 7.2123 7.3986 7.4669 7.8976 8.0300 8.0550 8.1577 8.3724 8.6043 8.8909 8.9071 10.6286 10.6818 10.7942 10.8854 11.4777 11.5536 11.6911 11.7957 k = 0.0854 0.0493-0.0000 ( 5455 PWs) bands (ev): -4.1317 -4.1292 -3.1701 -3.1687 -3.1421 -3.1406 -0.0324 -0.0319 0.0513 0.0631 0.1622 0.2291 0.3212 0.3274 0.3776 0.3795 0.4429 0.4712 1.3803 1.3879 1.4629 1.4709 1.7493 1.8241 1.8986 1.9074 1.9765 1.9946 2.0840 2.0853 2.1766 2.1915 2.2094 2.2175 2.2667 2.2842 3.6944 3.7106 3.8101 3.8492 6.0375 6.0941 6.2925 6.4001 7.0948 7.1972 7.3657 7.4541 7.8208 7.9609 8.0315 8.1255 8.3583 8.6060 8.9767 9.0001 10.6236 10.6787 10.8413 10.9361 11.4450 11.5444 11.6735 11.7947 k = 0.0976 0.0563-0.0000 ( 5457 PWs) bands (ev): -4.1177 -4.1148 -3.1665 -3.1644 -3.1370 -3.1349 -0.0305 -0.0298 0.0523 0.0649 0.1610 0.2357 0.3226 0.3293 0.3769 0.3796 0.4432 0.4759 1.3810 1.3920 1.4656 1.4751 1.7471 1.8320 1.8994 1.9088 1.9758 1.9967 2.0852 2.0871 2.1749 2.1912 2.2096 2.2207 2.2672 2.2873 3.6869 3.7097 3.8155 3.8581 5.9900 6.0224 6.1638 6.3091 7.0713 7.1767 7.3249 7.4333 7.7353 7.8810 8.0021 8.0929 8.3456 8.6057 9.0684 9.1000 10.6099 10.6634 10.8843 10.9726 11.4271 11.5439 11.6780 11.8063 k = 0.1098 0.0634-0.0000 ( 5453 PWs) bands (ev): -4.1018 -4.0986 -3.1627 -3.1598 -3.1312 -3.1285 -0.0284 -0.0273 0.0534 0.0665 0.1606 0.2422 0.3243 0.3313 0.3762 0.3798 0.4439 0.4810 1.3816 1.3967 1.4685 1.4797 1.7454 1.8401 1.9004 1.9104 1.9753 1.9990 2.0865 2.0891 2.1733 2.1907 2.2098 2.2242 2.2680 2.2907 3.6766 3.7066 3.8229 3.8688 5.9305 5.9416 6.0360 6.2310 7.0448 7.1500 7.2792 7.4069 7.6428 7.7930 7.9687 8.0593 8.3328 8.6024 9.1628 9.2033 10.5884 10.6360 10.9195 10.9910 11.4257 11.5462 11.7126 11.8343 k = 0.1220 0.0704-0.0000 ( 5461 PWs) bands (ev): -4.0843 -4.0807 -3.1586 -3.1551 -3.1246 -3.1212 -0.0261 -0.0246 0.0549 0.0681 0.1610 0.2488 0.3263 0.3335 0.3754 0.3801 0.4449 0.4865 1.3821 1.4018 1.4715 1.4849 1.7442 1.8483 1.9015 1.9121 1.9749 2.0014 2.0878 2.0913 2.1719 2.1903 2.2101 2.2282 2.2690 2.2943 3.6633 3.7004 3.8324 3.8812 5.8288 5.8746 5.9217 6.1638 7.0148 7.1156 7.2314 7.3772 7.5451 7.6994 7.9327 8.0243 8.3187 8.5954 9.2564 9.3065 10.5613 10.5988 10.9444 10.9928 11.4386 11.5502 11.7740 11.8813 k = 0.1341 0.0774-0.0000 ( 5451 PWs) bands (ev): -4.0650 -4.0610 -3.1545 -3.1502 -3.1173 -3.1131 -0.0235 -0.0217 0.0565 0.0695 0.1624 0.2554 0.3286 0.3358 0.3748 0.3806 0.4461 0.4925 1.3823 1.4075 1.4746 1.4905 1.7435 1.8564 1.9026 1.9140 1.9748 2.0040 2.0891 2.0937 2.1705 2.1898 2.2106 2.2326 2.2702 2.2983 3.6468 3.6906 3.8440 3.8955 5.7168 5.7618 5.8554 6.1041 6.9807 7.0722 7.1838 7.3453 7.4440 7.6027 7.8953 7.9878 8.3024 8.5843 9.3453 9.4063 10.5319 10.5561 10.9580 10.9839 11.4609 11.5575 11.8510 11.9491 k = 0.1463 0.0845-0.0000 ( 5453 PWs) bands (ev): -4.0441 -4.0397 -3.1503 -3.1453 -3.1092 -3.1044 -0.0208 -0.0185 0.0583 0.0708 0.1646 0.2618 0.3312 0.3383 0.3743 0.3813 0.4476 0.4990 1.3825 1.4134 1.4776 1.4965 1.7434 1.8646 1.9037 1.9162 1.9749 2.0067 2.0903 2.0964 2.1694 2.1893 2.2111 2.2374 2.2717 2.3026 3.6269 3.6767 3.8575 3.9115 5.5999 5.6350 5.8053 6.0492 6.9415 7.0199 7.1364 7.3118 7.3422 7.5059 7.8569 7.9499 8.2834 8.5687 9.4261 9.4990 10.5003 10.5155 10.9587 10.9733 11.4874 11.5677 11.9327 12.0377 k = 0.1585 0.0915-0.0000 ( 5453 PWs) bands (ev): -4.0217 -4.0169 -3.1461 -3.1404 -3.1003 -3.0950 -0.0179 -0.0150 0.0602 0.0721 0.1677 0.2680 0.3342 0.3410 0.3741 0.3823 0.4493 0.5059 1.3824 1.4196 1.4807 1.5029 1.7439 1.8725 1.9047 1.9186 1.9754 2.0095 2.0914 2.0993 2.1685 2.1889 2.2118 2.2425 2.2734 2.3072 3.6035 3.6583 3.8727 3.9289 5.4808 5.5074 5.7596 5.9981 6.8948 6.9615 7.0854 7.2443 7.2749 7.4134 7.8180 7.9111 8.2613 8.5483 9.4953 9.5811 10.4616 10.4886 10.9466 10.9689 11.5141 11.5782 12.0140 12.1420 k = 0.1707 0.0986-0.0000 ( 5457 PWs) bands (ev): -3.9977 -3.9925 -3.1418 -3.1356 -3.0909 -3.0850 -0.0149 -0.0114 0.0623 0.0733 0.1716 0.2737 0.3374 0.3438 0.3742 0.3837 0.4514 0.5135 1.3822 1.4259 1.4837 1.5096 1.7452 1.8803 1.9057 1.9214 1.9763 2.0124 2.0924 2.1025 2.1678 2.1886 2.2125 2.2480 2.2755 2.3121 3.5765 3.6352 3.8896 3.9477 5.3610 5.3809 5.7177 5.9502 6.8363 6.9024 7.0209 7.1601 7.2294 7.3331 7.7789 7.8716 8.2358 8.5231 9.5501 9.6488 10.4240 10.4720 10.9334 10.9660 11.5379 11.5860 12.0938 12.2540 k = 0.1829 0.1056-0.0000 ( 5453 PWs) bands (ev): -3.9724 -3.9667 -3.1376 -3.1308 -3.0809 -3.0745 -0.0118 -0.0076 0.0646 0.0746 0.1762 0.2790 0.3407 0.3469 0.3749 0.3856 0.4537 0.5215 1.3819 1.4322 1.4866 1.5164 1.7473 1.8877 1.9065 1.9245 1.9776 2.0154 2.0932 2.1060 2.1674 2.1885 2.2133 2.2538 2.2779 2.3174 3.5457 3.6074 3.9079 3.9676 5.2414 5.2561 5.6802 5.9058 6.7627 6.8470 6.9345 7.0978 7.1679 7.2743 7.7396 7.8318 8.2069 8.4930 9.5893 9.6992 10.3924 10.4619 10.9239 10.9653 11.5555 11.5896 12.1706 12.3649 k = 0.1951 0.1127-0.0000 ( 5441 PWs) bands (ev): -3.9456 -3.9395 -3.1334 -3.1261 -3.0704 -3.0636 -0.0087 -0.0036 0.0669 0.0760 0.1814 0.2837 0.3439 0.3500 0.3762 0.3884 0.4564 0.5301 1.3815 1.4382 1.4894 1.5233 1.7504 1.8946 1.9074 1.9279 1.9792 2.0185 2.0938 2.1099 2.1671 2.1887 2.2142 2.2597 2.2808 2.3230 3.5112 3.5747 3.9273 3.9882 5.1226 5.1338 5.6475 5.8649 6.6764 6.7920 6.8338 7.0512 7.0965 7.2330 7.7005 7.7918 8.1746 8.4583 9.6134 9.7308 10.3675 10.4554 10.9195 10.9683 11.5628 11.5904 12.2423 12.4600 k = 0.2073 0.1197-0.0000 ( 5445 PWs) bands (ev): -3.9176 -3.9111 -3.1294 -3.1216 -3.0595 -3.0524 -0.0055 0.0005 0.0693 0.0777 0.1871 0.2877 0.3469 0.3530 0.3780 0.3927 0.4595 0.5392 1.3810 1.4439 1.4921 1.5302 1.7544 1.9008 1.9085 1.9316 1.9813 2.0218 2.0942 2.1142 2.1672 2.1892 2.2152 2.2657 2.2845 2.3290 3.4730 3.5373 3.9477 4.0093 5.0047 5.0146 5.6201 5.8279 6.5814 6.7091 6.7543 7.0052 7.0315 7.1994 7.6616 7.7520 8.1391 8.4192 9.6245 9.7447 10.3479 10.4490 10.9194 10.9750 11.5564 11.5909 12.3070 12.5039 k = 0.2195 0.1267-0.0000 ( 5445 PWs) bands (ev): -3.8885 -3.8815 -3.1254 -3.1172 -3.0483 -3.0409 -0.0024 0.0046 0.0718 0.0797 0.1930 0.2912 0.3493 0.3559 0.3800 0.3988 0.4630 0.5489 1.3804 1.4489 1.4948 1.5369 1.7595 1.9053 1.9104 1.9358 1.9838 2.0251 2.0944 2.1187 2.1675 2.1902 2.2161 2.2715 2.2890 2.3353 3.4314 3.4955 3.9687 4.0304 4.8882 4.8990 5.5979 5.7944 6.4806 6.5964 6.7020 6.9432 6.9898 7.1688 7.6231 7.7126 8.1006 8.3762 9.6255 9.7440 10.3309 10.4399 10.9214 10.9826 11.5411 11.5884 12.3622 12.5006 k = 0.2317 0.1338-0.0000 ( 5441 PWs) bands (ev): -3.8583 -3.8508 -3.1217 -3.1130 -3.0368 -3.0292 0.0006 0.0088 0.0743 0.0821 0.1990 0.2940 0.3512 0.3589 0.3820 0.4070 0.4670 0.5590 1.3797 1.4533 1.4974 1.5433 1.7657 1.9075 1.9139 1.9405 1.9866 2.0287 2.0944 2.1235 2.1684 2.1917 2.2171 2.2768 2.2947 2.3419 3.3867 3.4498 3.9901 4.0511 4.7738 4.7871 5.5809 5.7642 6.3765 6.4799 6.6535 6.8784 6.9574 7.1395 7.5851 7.6737 8.0594 8.3299 9.6191 9.7327 10.3140 10.4264 10.9218 10.9862 11.5222 11.5805 12.4034 12.4942 k = 0.2439 0.1408-0.0000 ( 5437 PWs) bands (ev): -3.8271 -3.8191 -3.1182 -3.1091 -3.0252 -3.0174 0.0036 0.0129 0.0769 0.0849 0.2051 0.2963 0.3524 0.3619 0.3839 0.4169 0.4716 0.5696 1.3790 1.4568 1.5000 1.5494 1.7730 1.9086 1.9176 1.9457 1.9896 2.0325 2.0942 2.1280 2.1699 2.1939 2.2181 2.2817 2.3017 2.3489 3.3394 3.4008 4.0112 4.0704 4.6627 4.6792 5.5685 5.7363 6.2714 6.3641 6.6068 6.8167 6.9275 7.1109 7.5477 7.6357 8.0162 8.2809 9.6079 9.7144 10.2958 10.4083 10.9160 10.9809 11.5035 11.5674 12.4217 12.5050 k = 0.2561 0.1479-0.0000 ( 5439 PWs) bands (ev): -3.7951 -3.7866 -3.1149 -3.1055 -3.0136 -3.0057 0.0064 0.0170 0.0795 0.0882 0.2110 0.2983 0.3532 0.3651 0.3859 0.4279 0.4771 0.5806 1.3783 1.4593 1.5025 1.5551 1.7813 1.9096 1.9206 1.9514 1.9929 2.0365 2.0939 2.1318 2.1725 2.1969 2.2191 2.2863 2.3098 2.3560 3.2900 3.3492 4.0314 4.0868 4.5560 4.5762 5.5594 5.7091 6.1671 6.2521 6.5623 6.7585 6.8990 7.0828 7.5111 7.5987 7.9712 8.2298 9.5936 9.6918 10.2754 10.3858 10.9004 10.9631 11.4871 11.5505 12.4200 12.5292 k = 0.2683 0.1549-0.0000 ( 5445 PWs) bands (ev): -3.7624 -3.7534 -3.1120 -3.1022 -3.0020 -2.9940 0.0091 0.0210 0.0823 0.0920 0.2166 0.3000 0.3538 0.3683 0.3880 0.4393 0.4839 0.5920 1.3777 1.4608 1.5049 1.5602 1.7904 1.9108 1.9228 1.9574 1.9963 2.0407 2.0935 2.1344 2.1764 2.2010 2.2201 2.2907 2.3189 2.3635 3.2392 3.2958 4.0491 4.0977 4.4553 4.4803 5.5514 5.6804 6.0653 6.1477 6.5202 6.7036 6.8715 7.0551 7.4753 7.5627 7.9251 8.1775 9.5772 9.6669 10.2526 10.3595 10.8727 10.9325 11.4731 11.5309 12.4097 12.5477 k = 0.2805 0.1619-0.0000 ( 5457 PWs) bands (ev): -3.7292 -3.7197 -3.1094 -3.0993 -2.9906 -2.9825 0.0117 0.0248 0.0852 0.0962 0.2219 0.3015 0.3542 0.3714 0.3903 0.4502 0.4925 0.6036 1.3771 1.4613 1.5070 1.5648 1.8000 1.9123 1.9241 1.9639 1.9997 2.0450 2.0930 2.1355 2.1814 2.2069 2.2212 2.2951 2.3290 2.3711 3.1879 3.2415 4.0610 4.0974 4.3638 4.3969 5.5404 5.6476 5.9679 6.0567 6.4812 6.6519 6.8450 7.0278 7.4405 7.5281 7.8784 8.1244 9.5597 9.6410 10.2272 10.3299 10.8332 10.8911 11.4600 11.5096 12.3941 12.5473 k = 0.2927 0.1690-0.0000 ( 5457 PWs) bands (ev): -3.6955 -3.6854 -3.1073 -3.0969 -2.9794 -2.9713 0.0142 0.0284 0.0883 0.1008 0.2267 0.3029 0.3546 0.3743 0.3929 0.4598 0.5035 0.6154 1.3765 1.4608 1.5089 1.5688 1.8098 1.9143 1.9246 1.9705 2.0032 2.0494 2.0926 2.1352 2.1865 2.2152 2.2226 2.2995 2.3398 2.3791 3.1369 3.1873 4.0574 4.0787 4.2877 4.3362 5.5186 5.6091 5.8791 5.9844 6.4457 6.6032 6.8194 7.0011 7.4069 7.4948 7.8316 8.0713 9.5412 9.6147 10.1991 10.2970 10.7841 10.8420 11.4462 11.4872 12.3735 12.5257 k = 0.3049 0.1760-0.0000 ( 5453 PWs) bands (ev): -3.6615 -3.6509 -3.1056 -3.0948 -2.9684 -2.9604 0.0165 0.0318 0.0915 0.1058 0.2311 0.3043 0.3550 0.3770 0.3957 0.4676 0.5169 0.6273 1.3760 1.4594 1.5106 1.5722 1.8193 1.9169 1.9245 1.9773 2.0066 2.0536 2.0923 2.1337 2.1909 2.2225 2.2279 2.3041 2.3513 2.3876 3.0871 3.1341 4.0164 4.0438 4.2392 4.3052 5.4772 5.5626 5.8087 5.9321 6.4143 6.5576 6.7951 6.9751 7.3745 7.4630 7.7853 8.0187 9.5219 9.5886 10.1680 10.2606 10.7292 10.7880 11.4307 11.4641 12.3478 12.4895 k = 0.3171 0.1831-0.0000 ( 5449 PWs) bands (ev): -3.6273 -3.6163 -3.1044 -3.0934 -2.9579 -2.9500 0.0188 0.0349 0.0950 0.1112 0.2350 0.3057 0.3554 0.3795 0.3988 0.4737 0.5323 0.6391 1.3756 1.4571 1.5119 1.5750 1.8280 1.9201 1.9241 1.9840 2.0099 2.0574 2.0922 2.1314 2.1945 2.2242 2.2417 2.3090 2.3629 2.3971 3.0395 3.0829 3.9466 3.9862 4.2227 4.2963 5.4162 5.5011 5.7668 5.8966 6.3876 6.5151 6.7721 6.9500 7.3436 7.4329 7.7400 7.9671 9.5016 9.5629 10.1336 10.2206 10.6726 10.7318 11.4134 11.4406 12.3180 12.4457 k = 0.3293 0.1901-0.0000 ( 5449 PWs) bands (ev): -3.5932 -3.5817 -3.1038 -3.0925 -2.9479 -2.9401 0.0210 0.0377 0.0986 0.1167 0.2385 0.3070 0.3559 0.3818 0.4020 0.4786 0.5491 0.6509 1.3753 1.4540 1.5129 1.5771 1.8354 1.9225 1.9248 1.9907 2.0131 2.0606 2.0922 2.1284 2.1974 2.2257 2.2579 2.3146 2.3739 2.4086 2.9948 3.0346 3.8661 3.9125 4.2241 4.2974 5.3440 5.4242 5.7511 5.8725 6.3659 6.4758 6.7510 6.9261 7.3142 7.4044 7.6962 7.9169 9.4801 9.5379 10.0953 10.1769 10.6179 10.6757 11.3946 11.4169 12.2853 12.3987 k = 0.3415 0.1971-0.0000 ( 5459 PWs) bands (ev): -3.5593 -3.5473 -3.1039 -3.0922 -2.9384 -2.9308 0.0232 0.0402 0.1024 0.1225 0.2416 0.3084 0.3566 0.3838 0.4054 0.4823 0.5666 0.6623 1.3751 1.4502 1.5136 1.5784 1.8411 1.9223 1.9290 1.9971 2.0162 2.0630 2.0924 2.1250 2.1997 2.2272 2.2748 2.3219 2.3832 2.4232 2.9539 2.9902 3.7826 3.8335 4.2313 4.3011 5.2683 5.3404 5.7506 5.8550 6.3493 6.4399 6.7320 6.9037 7.2865 7.3776 7.6544 7.8685 9.4570 9.5136 10.0530 10.1301 10.5675 10.6220 11.3749 11.3932 12.2510 12.3512 k = 0.3537 0.2042-0.0000 ( 5455 PWs) bands (ev): -3.5258 -3.5133 -3.1046 -3.0926 -2.9295 -2.9221 0.0253 0.0424 0.1063 0.1282 0.2445 0.3098 0.3574 0.3858 0.4088 0.4849 0.5846 0.6735 1.3751 1.4457 1.5142 1.5790 1.8450 1.9221 1.9335 2.0030 2.0192 2.0643 2.0922 2.1218 2.2015 2.2287 2.2899 2.3331 2.3906 2.4413 2.9172 2.9508 3.6992 3.7538 4.2385 4.3034 5.1942 5.2572 5.7570 5.8409 6.3375 6.4074 6.7159 6.8831 7.2607 7.3526 7.6149 7.8221 9.4321 9.4898 10.0067 10.0810 10.5229 10.5724 11.3549 11.3700 12.2162 12.3044 k = 0.3659 0.2112-0.0000 ( 5457 PWs) bands (ev): -3.4927 -3.4798 -3.1061 -3.0938 -2.9213 -2.9142 0.0274 0.0443 0.1104 0.1339 0.2472 0.3111 0.3585 0.3876 0.4121 0.4865 0.6025 0.6841 1.3751 1.4407 1.5147 1.5788 1.8472 1.9225 1.9377 2.0082 2.0221 2.0647 2.0913 2.1193 2.2028 2.2302 2.3004 2.3501 2.3968 2.4629 2.8849 2.9174 3.6173 3.6755 4.2427 4.3018 5.1250 5.1793 5.7657 5.8284 6.3297 6.3785 6.7031 6.8646 7.2369 7.3293 7.5784 7.7780 9.4054 9.4660 9.9575 10.0312 10.4844 10.5279 11.3353 11.3476 12.1819 12.2595 k = 0.3780 0.2183-0.0000 ( 5453 PWs) bands (ev): -3.4604 -3.4471 -3.1084 -3.0959 -2.9137 -2.9070 0.0294 0.0459 0.1146 0.1393 0.2500 0.3121 0.3600 0.3893 0.4153 0.4871 0.6201 0.6941 1.3753 1.4351 1.5151 1.5777 1.8479 1.9239 1.9407 2.0124 2.0252 2.0642 2.0891 2.1178 2.2040 2.2316 2.3070 2.3704 2.4041 2.4874 2.8568 2.8910 3.5378 3.5994 4.2420 4.2948 5.0631 5.1099 5.7737 5.8169 6.3249 6.3535 6.6943 6.8484 7.2153 7.3076 7.5451 7.7363 9.3771 9.4414 9.9071 9.9821 10.4519 10.4890 11.3164 11.3263 12.1490 12.2169 k = 0.3902 0.2253-0.0000 ( 5449 PWs) bands (ev): -3.4290 -3.4152 -3.1117 -3.0989 -2.9069 -2.9006 0.0314 0.0472 0.1189 0.1442 0.2530 0.3128 0.3619 0.3911 0.4182 0.4865 0.6371 0.7034 1.3756 1.4292 1.5156 1.5757 1.8475 1.9262 1.9421 2.0154 2.0283 2.0629 2.0862 2.1174 2.2051 2.2326 2.3115 2.3855 2.4193 2.5146 2.8331 2.8719 3.4611 3.5260 4.2352 4.2813 5.0100 5.0511 5.7786 5.8070 6.3216 6.3325 6.6900 6.8347 7.1960 7.2874 7.5155 7.6972 9.3477 9.4153 9.8580 9.9348 10.4246 10.4556 11.2985 11.3065 12.1181 12.1771 k = 0.4024 0.2323-0.0000 ( 5448 PWs) bands (ev): -3.3986 -3.3845 -3.1160 -3.1028 -2.9009 -2.8950 0.0334 0.0481 0.1233 0.1486 0.2562 0.3131 0.3643 0.3927 0.4209 0.4849 0.6534 0.7118 1.3760 1.4232 1.5162 1.5729 1.8466 1.9290 1.9417 2.0172 2.0311 2.0611 2.0833 2.1173 2.2063 2.2333 2.3153 2.3906 2.4458 2.5440 2.8139 2.8601 3.3874 3.4555 4.2216 4.2614 4.9667 5.0041 5.7778 5.8006 6.3139 6.3200 6.6904 6.8236 7.1793 7.2685 7.4902 7.6606 9.3176 9.3872 9.8130 9.8904 10.4018 10.4274 11.2821 11.2883 12.0896 12.1406 k = 0.4146 0.2394-0.0000 ( 5450 PWs) bands (ev): -3.3694 -3.3551 -3.1213 -3.1079 -2.8955 -2.8902 0.0354 0.0488 0.1277 0.1522 0.2599 0.3129 0.3673 0.3943 0.4233 0.4821 0.6686 0.7192 1.3765 1.4171 1.5170 1.5692 1.8458 1.9308 1.9407 2.0178 2.0334 2.0589 2.0815 2.1172 2.2077 2.2334 2.3190 2.3910 2.4775 2.5748 2.7998 2.8549 3.3170 3.3881 4.2018 4.2359 4.9332 4.9686 5.7716 5.7974 6.3005 6.3163 6.6954 6.8149 7.1654 7.2508 7.4693 7.6266 9.2879 9.3568 9.7739 9.8496 10.3829 10.4038 11.2672 11.2719 12.0641 12.1076 k = 0.4268 0.2464-0.0000 ( 5450 PWs) bands (ev): -3.3416 -3.3271 -3.1278 -3.1142 -2.8910 -2.8863 0.0372 0.0492 0.1320 0.1550 0.2639 0.3120 0.3708 0.3957 0.4256 0.4784 0.6827 0.7256 1.3771 1.4111 1.5181 1.5649 1.8455 1.9276 1.9432 2.0170 2.0349 2.0565 2.0814 2.1166 2.2094 2.2331 2.3231 2.3891 2.5112 2.6059 2.7910 2.8557 3.2500 3.3239 4.1774 4.2065 4.9093 4.9430 5.7638 5.7941 6.2900 6.3121 6.7042 6.8082 7.1543 7.2339 7.4534 7.5952 9.2594 9.3248 9.7419 9.8131 10.3674 10.3843 11.2540 11.2576 12.0417 12.0782 k = 0.4390 0.2535-0.0000 ( 5440 PWs) bands (ev): -3.3154 -3.3008 -3.1354 -3.1217 -2.8871 -2.8830 0.0390 0.0494 0.1363 0.1569 0.2685 0.3105 0.3747 0.3968 0.4279 0.4739 0.6953 0.7307 1.3779 1.4055 1.5195 1.5600 1.8462 1.9201 1.9485 2.0148 2.0361 2.0539 2.0829 2.1155 2.2114 2.2323 2.3277 2.3858 2.5454 2.6355 2.7884 2.8623 3.1867 3.2628 4.1508 4.1755 4.8937 4.9250 5.7569 5.7893 6.2825 6.3069 6.7158 6.8031 7.1462 7.2179 7.4426 7.5663 9.2335 9.2924 9.7175 9.7811 10.3550 10.3683 11.2427 11.2453 12.0228 12.0527 k = 0.4512 0.2605-0.0000 ( 5438 PWs) bands (ev): -3.2909 -3.2765 -3.1442 -3.1305 -2.8839 -2.8806 0.0408 0.0492 0.1403 0.1579 0.2733 0.3083 0.3788 0.3976 0.4303 0.4686 0.7065 0.7345 1.3788 1.4003 1.5214 1.5547 1.8481 1.9106 1.9550 2.0110 2.0373 2.0515 2.0857 2.1136 2.2137 2.2310 2.3329 2.3813 2.5787 2.6607 2.7932 2.8743 3.1274 3.2051 4.1250 4.1452 4.8850 4.9125 5.7517 5.7829 6.2776 6.3010 6.7291 6.7989 7.1413 7.2026 7.4369 7.5400 9.2113 9.2611 9.7002 9.7537 10.3454 10.3556 11.2334 11.2352 12.0076 12.0311 k = 0.4634 0.2676-0.0000 ( 5452 PWs) bands (ev): -3.2685 -3.2545 -3.1539 -3.1405 -2.8813 -2.8788 0.0424 0.0488 0.1442 0.1579 0.2784 0.3055 0.3831 0.3978 0.4331 0.4629 0.7160 0.7369 1.3799 1.3957 1.5238 1.5494 1.8514 1.9002 1.9621 2.0059 2.0386 2.0492 2.0893 2.1112 2.2160 2.2295 2.3385 2.3760 2.6097 2.6780 2.8073 2.8909 3.0734 3.1510 4.1025 4.1181 4.8813 4.9036 5.7489 5.7755 6.2751 6.2948 6.7427 6.7948 7.1397 7.1882 7.4363 7.5161 9.1941 9.2330 9.6894 9.7309 10.3383 10.3457 11.2260 11.2273 11.9962 12.0137 k = 0.4756 0.2746-0.0000 ( 5466 PWs) bands (ev): -3.2484 -3.2357 -3.1638 -3.1515 -2.8794 -2.8777 0.0439 0.0482 0.1477 0.1572 0.2836 0.3020 0.3871 0.3973 0.4365 0.4570 0.7239 0.7377 1.3813 1.3916 1.5268 1.5441 1.8563 1.8897 1.9697 1.9996 2.0401 2.0472 2.0932 2.1083 2.2185 2.2276 2.3446 2.3701 2.6369 2.6855 2.8309 2.9092 3.0279 3.1008 4.0856 4.0962 4.8812 4.8968 5.7485 5.7678 6.2747 6.2888 6.7556 6.7901 7.1413 7.1749 7.4403 7.4948 9.1829 9.2096 9.6844 9.7127 10.3336 10.3385 11.2208 11.2216 11.9888 12.0003 k = 0.4878 0.2816-0.0000 ( 5462 PWs) bands (ev): -3.2317 -3.2229 -3.1713 -3.1626 -2.8781 -2.8772 0.0452 0.0474 0.1509 0.1557 0.2887 0.2980 0.3907 0.3959 0.4407 0.4511 0.7299 0.7368 1.3831 1.3882 1.5303 1.5390 1.8627 1.8796 1.9774 1.9927 2.0417 2.0452 2.0973 2.1049 2.2209 2.2256 2.3509 2.3638 2.6589 2.6840 2.8616 2.9157 3.0046 3.0559 4.0759 4.0813 4.8834 4.8914 5.7505 5.7607 6.2761 6.2834 6.7670 6.7842 7.1459 7.1632 7.4487 7.4763 9.1787 9.1922 9.6845 9.6988 10.3313 10.3337 11.2177 11.2181 11.9854 11.9912 k = 0.5000 0.2887-0.0000 ( 5460 PWs) bands (ev): -3.2214 -3.2214 -3.1711 -3.1711 -2.8774 -2.8774 0.0464 0.0464 0.1536 0.1536 0.2936 0.2936 0.3937 0.3937 0.4456 0.4456 0.7343 0.7343 1.3854 1.3854 1.5344 1.5344 1.8705 1.8705 1.9852 1.9852 2.0434 2.0434 2.1012 2.1012 2.2233 2.2233 2.3573 2.3573 2.6749 2.6749 2.8942 2.8942 3.0197 3.0197 4.0744 4.0744 4.8869 4.8869 5.7547 5.7547 6.2791 6.2791 6.7766 6.7766 7.1533 7.1533 7.4608 7.4608 9.1818 9.1818 9.6894 9.6894 10.3313 10.3313 11.2168 11.2168 11.9862 11.9862 k = 0.5000 0.2887-0.0000 ( 5460 PWs) bands (ev): -3.2214 -3.2214 -3.1711 -3.1711 -2.8774 -2.8774 0.0464 0.0464 0.1536 0.1536 0.2936 0.2936 0.3937 0.3937 0.4456 0.4456 0.7343 0.7343 1.3854 1.3854 1.5344 1.5344 1.8705 1.8705 1.9852 1.9852 2.0434 2.0434 2.1012 2.1012 2.2233 2.2233 2.3573 2.3573 2.6749 2.6749 2.8942 2.8942 3.0197 3.0197 4.0744 4.0744 4.8869 4.8869 5.7547 5.7547 6.2791 6.2791 6.7766 6.7766 7.1533 7.1533 7.4608 7.4608 9.1818 9.1818 9.6894 9.6894 10.3313 10.3313 11.2168 11.2168 11.9862 11.9862 k = 0.4931 0.3007-0.0000 ( 5460 PWs) bands (ev): -3.2211 -3.2209 -3.1709 -3.1704 -2.8778 -2.8773 0.0449 0.0479 0.1533 0.1533 0.2902 0.2978 0.3921 0.3948 0.4454 0.4472 0.7334 0.7345 1.3841 1.3869 1.5307 1.5384 1.8673 1.8742 1.9809 1.9899 2.0412 2.0456 2.1003 2.1027 2.2227 2.2245 2.3550 2.3595 2.6736 2.6757 2.8938 2.8959 3.0174 3.0228 4.0757 4.0761 4.8746 4.8762 5.7558 5.7626 6.2832 6.2881 6.7724 6.7740 7.1469 7.1469 7.4452 7.4612 9.1752 9.1895 9.6979 9.7087 10.3308 10.3377 11.2004 11.2341 11.9925 11.9942 k = 0.4861 0.3127-0.0000 ( 5470 PWs) bands (ev): -3.2200 -3.2196 -3.1699 -3.1689 -2.8786 -2.8776 0.0435 0.0495 0.1525 0.1526 0.2878 0.3026 0.3901 0.3951 0.4467 0.4500 0.7319 0.7342 1.3829 1.3885 1.5274 1.5428 1.8644 1.8781 1.9772 1.9951 2.0389 2.0477 2.0999 2.1046 2.2225 2.2261 2.3525 2.3614 2.6719 2.6761 2.8947 2.8990 3.0162 3.0267 4.0802 4.0808 4.8410 4.8435 5.7654 5.7773 6.3005 6.3096 6.7612 6.7643 7.1279 7.1280 7.4163 7.4470 9.1699 9.1982 9.7334 9.7547 10.3347 10.3492 11.1868 11.2534 12.0126 12.0156 k = 0.4792 0.3248-0.0000 ( 5466 PWs) bands (ev): -3.2182 -3.2176 -3.1680 -3.1665 -2.8798 -2.8783 0.0420 0.0511 0.1510 0.1517 0.2864 0.3080 0.3880 0.3947 0.4493 0.4537 0.7298 0.7333 1.3818 1.3902 1.5244 1.5474 1.8620 1.8822 1.9740 2.0004 2.0367 2.0500 2.1002 2.1070 2.2229 2.2283 2.3497 2.3632 2.6698 2.6760 2.8970 2.9035 3.0159 3.0315 4.0876 4.0884 4.7898 4.7923 5.7810 5.7953 6.3298 6.3421 6.7427 6.7473 7.0976 7.0978 7.3775 7.4208 9.1662 9.2083 9.7931 9.8242 10.3399 10.3626 11.1802 11.2782 12.0452 12.0487 k = 0.4722 0.3368-0.0000 ( 5470 PWs) bands (ev): -3.2156 -3.2148 -3.1653 -3.1634 -2.8814 -2.8794 0.0406 0.0527 0.1489 0.1505 0.2861 0.3136 0.3860 0.3937 0.4533 0.4583 0.7271 0.7318 1.3809 1.3921 1.5218 1.5522 1.8600 1.8864 1.9714 2.0056 2.0347 2.0524 2.1010 2.1097 2.2239 2.2310 2.3468 2.3648 2.6673 2.6754 2.9007 2.9093 3.0168 3.0372 4.0979 4.0987 4.7253 4.7269 5.7995 5.8129 6.3688 6.3828 6.7167 6.7227 7.0577 7.0582 7.3339 7.3865 9.1646 9.2200 9.8721 9.9131 10.3428 10.3738 11.1870 11.3131 12.0881 12.0911 k = 0.4653 0.3488-0.0000 ( 5472 PWs) bands (ev): -3.2123 -3.2113 -3.1618 -3.1594 -2.8834 -2.8809 0.0392 0.0544 0.1462 0.1491 0.2869 0.3193 0.3844 0.3922 0.4585 0.4636 0.7239 0.7296 1.3802 1.3942 1.5196 1.5571 1.8586 1.8906 1.9691 2.0097 2.0336 2.0551 2.1023 2.1128 2.2255 2.2342 2.3439 2.3664 2.6644 2.6741 2.9059 2.9164 3.0189 3.0437 4.1109 4.1114 4.6515 4.6516 5.8179 5.8272 6.4133 6.4275 6.6848 6.6914 7.0102 7.0114 7.2907 7.3488 9.1652 9.2337 9.9634 10.0155 10.3411 10.3800 11.2131 11.3625 12.1384 12.1405 k = 0.4583 0.3608-0.0000 ( 5462 PWs) bands (ev): -3.2083 -3.2070 -3.1575 -3.1547 -2.8858 -2.8827 0.0378 0.0562 0.1430 0.1478 0.2887 0.3248 0.3832 0.3903 0.4646 0.4695 0.7203 0.7269 1.3796 1.3964 1.5178 1.5622 1.8576 1.8947 1.9673 2.0118 2.0346 2.0579 2.1041 2.1161 2.2278 2.2379 2.3410 2.3680 2.6609 2.6722 2.9124 2.9250 3.0224 3.0511 4.1260 4.1262 4.5695 4.5718 5.8340 5.8360 6.4562 6.4671 6.6532 6.6566 6.9582 6.9597 7.2524 7.3122 9.1680 9.2496 10.0548 10.1213 10.3386 10.3853 11.2621 11.4291 12.1931 12.1938 k = 0.4514 0.3729-0.0000 ( 5458 PWs) bands (ev): -3.2037 -3.2022 -3.1525 -3.1492 -2.8886 -2.8850 0.0365 0.0580 0.1394 0.1464 0.2914 0.3298 0.3828 0.3882 0.4714 0.4760 0.7161 0.7236 1.3792 1.3988 1.5165 1.5673 1.8570 1.8987 1.9657 2.0111 2.0380 2.0609 2.1062 2.1196 2.2309 2.2422 2.3382 2.3696 2.6569 2.6695 2.9204 2.9350 3.0273 3.0595 4.1419 4.1436 4.4837 4.4891 5.8371 5.8454 6.4830 6.4850 6.6263 6.6372 6.9073 6.9077 7.2222 7.2800 9.1728 9.2678 10.1216 10.1999 10.3616 10.4099 11.3342 11.5135 12.2457 12.2477 k = 0.4444 0.3849-0.0000 ( 5466 PWs) bands (ev): -3.1984 -3.1967 -3.1468 -3.1430 -2.8918 -2.8877 0.0353 0.0600 0.1355 0.1450 0.2949 0.3342 0.3832 0.3859 0.4789 0.4829 0.7115 0.7198 1.3789 1.4014 1.5155 1.5722 1.8569 1.9026 1.9643 2.0085 2.0430 2.0639 2.1086 2.1234 2.2349 2.2471 2.3359 2.3713 2.6524 2.6660 2.9299 2.9463 3.0339 3.0690 4.1575 4.1622 4.3967 4.4064 5.8284 5.8497 6.4623 6.4843 6.6069 6.6419 6.8646 6.8705 7.2014 7.2544 9.1789 9.2880 10.1363 10.2095 10.4490 10.4791 11.4267 11.6144 12.2823 12.2938 k = 0.4375 0.3969-0.0000 ( 5458 PWs) bands (ev): -3.1926 -3.1907 -3.1403 -3.1362 -2.8954 -2.8907 0.0341 0.0621 0.1314 0.1437 0.2990 0.3376 0.3836 0.3847 0.4869 0.4903 0.7065 0.7155 1.3787 1.4041 1.5151 1.5771 1.8571 1.9063 1.9631 2.0049 2.0486 2.0665 2.1111 2.1273 2.2400 2.2527 2.3341 2.3731 2.6472 2.6615 2.9408 2.9591 3.0423 3.0795 4.1683 4.1797 4.3118 4.3292 5.8077 5.8437 6.4240 6.4589 6.5826 6.6320 6.8526 6.8614 7.1901 7.2363 9.1854 9.3094 10.1074 10.1825 10.5666 10.5834 11.5353 11.7299 12.2754 12.3165 k = 0.4306 0.4090-0.0000 ( 5466 PWs) bands (ev): -3.1863 -3.1842 -3.1333 -3.1288 -2.8994 -2.8943 0.0329 0.0643 0.1273 0.1425 0.3036 0.3401 0.3812 0.3873 0.4954 0.4980 0.7011 0.7107 1.3786 1.4071 1.5151 1.5816 1.8577 1.9098 1.9619 2.0007 2.0543 2.0687 2.1137 2.1313 2.2462 2.2588 2.3331 2.3751 2.6413 2.6559 2.9531 2.9733 3.0525 3.0913 4.1578 4.1804 4.2456 4.2747 5.7738 5.8247 6.3856 6.4227 6.5431 6.5877 6.8781 6.8802 7.1883 7.2257 9.1908 9.3309 10.0579 10.1452 10.6855 10.6979 11.6553 11.8571 12.2269 12.3054 k = 0.4236 0.4210-0.0000 ( 5462 PWs) bands (ev): -3.1796 -3.1773 -3.1257 -3.1208 -2.9040 -2.8983 0.0319 0.0666 0.1232 0.1414 0.3086 0.3417 0.3788 0.3908 0.5042 0.5059 0.6955 0.7055 1.3787 1.4102 1.5155 1.5857 1.8586 1.9132 1.9607 1.9961 2.0597 2.0703 2.1160 2.1351 2.2536 2.2655 2.3331 2.3772 2.6347 2.6492 2.9669 2.9889 3.0648 3.1043 4.1055 4.1201 4.2428 4.2637 5.7274 5.7911 6.3531 6.3738 6.5064 6.5262 6.9115 6.9216 7.1962 7.2226 9.1936 9.3504 10.0015 10.1066 10.7930 10.8060 11.7805 11.9934 12.1786 12.2778 k = 0.4167 0.4330-0.0000 ( 5466 PWs) bands (ev): -3.1725 -3.1701 -3.1176 -3.1123 -2.9089 -2.9027 0.0309 0.0690 0.1192 0.1404 0.3139 0.3426 0.3764 0.3950 0.5131 0.5141 0.6897 0.6999 1.3788 1.4135 1.5165 1.5892 1.8599 1.9163 1.9596 1.9914 2.0650 2.0711 2.1181 2.1385 2.2621 2.2728 2.3345 2.3795 2.6272 2.6413 2.9819 3.0058 3.0790 3.1188 4.0331 4.0414 4.2606 4.2745 5.6713 5.7445 6.3070 6.3208 6.4683 6.4889 6.9433 6.9681 7.2137 7.2272 9.1919 9.3647 9.9466 10.0718 10.8794 10.8938 11.9005 12.1338 12.1641 12.2630 k = 0.4097 0.4450-0.0000 ( 5446 PWs) bands (ev): -3.1652 -3.1625 -3.1090 -3.1034 -2.9144 -2.9076 0.0301 0.0716 0.1154 0.1394 0.3193 0.3430 0.3740 0.3996 0.5222 0.5222 0.6837 0.6941 1.3789 1.4171 1.5179 1.5920 1.8615 1.9192 1.9585 1.9865 2.0699 2.0714 2.1198 2.1413 2.2717 2.2804 2.3375 2.3821 2.6188 2.6322 2.9981 3.0240 3.0953 3.1346 3.9576 3.9636 4.2798 4.2899 5.6094 5.6888 6.2279 6.2731 6.4342 6.4891 6.9701 7.0103 7.2397 7.2400 9.1842 9.3693 9.9009 10.0443 10.9359 10.9495 11.9990 12.2121 12.2424 12.3125 k = 0.4028 0.4571-0.0000 ( 5446 PWs) bands (ev): -3.1577 -3.1549 -3.1000 -3.0941 -2.9204 -2.9130 0.0293 0.0742 0.1119 0.1385 0.3247 0.3432 0.3717 0.4045 0.5303 0.5313 0.6777 0.6881 1.3791 1.4207 1.5198 1.5939 1.8635 1.9217 1.9574 1.9817 2.0711 2.0745 2.1212 2.1433 2.2820 2.2882 2.3424 2.3849 2.6094 2.6219 3.0154 3.0434 3.1136 3.1517 3.8837 3.8894 4.2972 4.3046 5.5464 5.6292 6.1433 6.2052 6.4288 6.5010 6.9910 7.0447 7.2612 7.2717 9.1693 9.3596 9.8710 10.0271 10.9579 10.9663 12.0827 12.2980 12.3211 12.4533 k = 0.3958 0.4691-0.0000 ( 5450 PWs) bands (ev): -3.1501 -3.1471 -3.0906 -3.0846 -2.9268 -2.9190 0.0286 0.0770 0.1086 0.1377 0.3301 0.3433 0.3694 0.4095 0.5381 0.5402 0.6717 0.6819 1.3793 1.4245 1.5222 1.5948 1.8659 1.9239 1.9562 1.9768 2.0705 2.0790 2.1221 2.1442 2.2927 2.2957 2.3495 2.3883 2.5991 2.6104 3.0336 3.0638 3.1336 3.1701 3.8131 3.8197 4.3110 4.3160 5.4863 5.5707 6.0573 6.1271 6.4410 6.5201 7.0074 7.0708 7.2890 7.3059 9.1472 9.3330 9.8611 10.0215 10.9468 10.9473 12.1787 12.3766 12.4583 12.6063 k = 0.3889 0.4811-0.0000 ( 5448 PWs) bands (ev): -3.1425 -3.1394 -3.0811 -3.0748 -2.9338 -2.9255 0.0281 0.0797 0.1056 0.1369 0.3353 0.3434 0.3672 0.4144 0.5455 0.5487 0.6660 0.6759 1.3794 1.4284 1.5250 1.5946 1.8688 1.9255 1.9549 1.9721 2.0699 2.0833 2.1227 2.1440 2.3029 2.3033 2.3588 2.3923 2.5878 2.5979 3.0524 3.0853 3.1550 3.1895 3.7468 3.7553 4.3200 4.3226 5.4331 5.5177 5.9722 6.0463 6.4621 6.5435 7.0214 7.0902 7.3205 7.3391 9.1189 9.2915 9.8703 10.0278 10.9003 10.9107 12.2939 12.4804 12.6045 12.7594 k = 0.3819 0.4932-0.0000 ( 5459 PWs) bands (ev): -3.1350 -3.1318 -3.0713 -3.0648 -2.9413 -2.9325 0.0276 0.0825 0.1030 0.1362 0.3402 0.3436 0.3651 0.4192 0.5524 0.5567 0.6606 0.6700 1.3795 1.4323 1.5283 1.5931 1.8721 1.9265 1.9535 1.9676 2.0693 2.0875 2.1229 2.1428 2.3095 2.3134 2.3702 2.3971 2.5757 2.5844 3.0715 3.1076 3.1773 3.2095 3.6855 3.6965 4.3229 4.3231 5.3900 5.4736 5.8892 5.9661 6.4881 6.5685 7.0348 7.1052 7.3521 7.3683 9.0868 9.2402 9.8947 10.0452 10.8371 10.8564 12.4217 12.6008 12.7517 12.9083 k = 0.3750 0.5052-0.0000 ( 5453 PWs) bands (ev): -3.1277 -3.1245 -3.0614 -3.0549 -2.9494 -2.9400 0.0273 0.0852 0.1007 0.1355 0.3440 0.3447 0.3631 0.4236 0.5585 0.5639 0.6558 0.6646 1.3796 1.4361 1.5320 1.5905 1.8760 1.9268 1.9520 1.9634 2.0692 2.0916 2.1228 2.1406 2.3156 2.3223 2.3835 2.4031 2.5628 2.5701 3.0906 3.1306 3.1997 3.2294 3.6297 3.6437 4.3171 4.3193 5.3591 5.4410 5.8097 5.8883 6.5161 6.5932 7.0492 7.1177 7.3808 7.3915 9.0535 9.1849 9.9295 10.0720 10.7653 10.7915 12.5535 12.7289 12.8947 13.0476 k = 0.3681 0.5172-0.0000 ( 5457 PWs) bands (ev): -3.1208 -3.1177 -3.0515 -3.0449 -2.9579 -2.9481 0.0270 0.0877 0.0988 0.1348 0.3445 0.3485 0.3614 0.4277 0.5638 0.5699 0.6518 0.6597 1.3796 1.4399 1.5360 1.5866 1.8804 1.9262 1.9504 1.9595 2.0695 2.0958 2.1225 2.1376 2.3213 2.3296 2.3981 2.4103 2.5493 2.5553 3.1090 3.1541 3.2213 3.2486 3.5803 3.5973 4.3051 4.3094 5.3418 5.4212 5.7344 5.8144 6.5446 6.6154 7.0658 7.1290 7.4047 7.4073 9.0220 9.1302 9.9709 10.1065 10.6907 10.7214 12.6809 12.8560 13.0286 13.1693 k = 0.3611 0.5292-0.0000 ( 5451 PWs) bands (ev): -3.1145 -3.1114 -3.0416 -3.0351 -2.9668 -2.9566 0.0269 0.0900 0.0972 0.1342 0.3453 0.3513 0.3603 0.4313 0.5682 0.5746 0.6489 0.6556 1.3796 1.4434 1.5403 1.5817 1.8853 1.9246 1.9489 1.9560 2.0704 2.1000 2.1219 2.1339 2.3265 2.3351 2.4136 2.4186 2.5357 2.5401 3.1262 3.1778 3.2405 3.2660 3.5383 3.5575 4.2888 4.2946 5.3380 5.4147 5.6641 5.7452 6.5719 6.6335 7.0854 7.1396 7.4146 7.4225 8.9947 9.0797 10.0156 10.1469 10.6177 10.6500 12.7957 12.9740 13.1472 13.2642 k = 0.3542 0.5413-0.0000 ( 5445 PWs) bands (ev): -3.1088 -3.1060 -3.0319 -3.0257 -2.9761 -2.9654 0.0267 0.0920 0.0961 0.1337 0.3462 0.3526 0.3600 0.4344 0.5715 0.5777 0.6471 0.6524 1.3795 1.4465 1.5449 1.5761 1.8906 1.9218 1.9479 1.9530 2.0717 2.1042 2.1211 2.1297 2.3312 2.3388 2.4276 2.4296 2.5224 2.5251 3.1412 3.2013 3.2556 3.2804 3.5048 3.5245 4.2710 4.2773 5.3467 5.4203 5.5998 5.6821 6.5967 6.6462 7.1080 7.1497 7.4138 7.4336 8.9740 9.0360 10.0604 10.1912 10.5502 10.5806 12.8902 13.0746 13.2432 13.3278 k = 0.3472 0.5533-0.0000 ( 5439 PWs) bands (ev): -3.1040 -3.1018 -3.0223 -3.0169 -2.9854 -2.9742 0.0267 0.0934 0.0953 0.1332 0.3473 0.3524 0.3608 0.4366 0.5740 0.5791 0.6465 0.6501 1.3794 1.4490 1.5496 1.5702 1.8962 1.9178 1.9474 1.9505 2.0732 2.1086 2.1201 2.1253 2.3352 2.3408 2.4362 2.4452 2.5102 2.5109 3.1531 3.2235 3.2644 3.2909 3.4817 3.4986 4.2551 4.2605 5.3660 5.4360 5.5423 5.6265 6.6180 6.6528 7.1320 7.1587 7.4061 7.4385 8.9612 9.0012 10.1011 10.2368 10.4931 10.5163 12.9580 13.1504 13.3123 13.3640 k = 0.3403 0.5653-0.0000 ( 5439 PWs) bands (ev): -3.1005 -3.0992 -3.0132 -3.0095 -2.9945 -2.9820 0.0267 0.0944 0.0948 0.1330 0.3486 0.3513 0.3617 0.4381 0.5760 0.5790 0.6468 0.6486 1.3793 1.4506 1.5544 1.5643 1.9020 1.9130 1.9473 1.9487 2.0746 2.1130 2.1189 2.1210 2.3385 2.3413 2.4431 2.4590 2.4990 2.5003 3.1607 3.2432 3.2651 3.2965 3.4704 3.4805 4.2442 4.2476 5.3923 5.4569 5.4941 5.5822 6.6349 6.6528 7.1536 7.1648 7.3956 7.4389 8.9571 8.9763 10.1312 10.2780 10.4533 10.4635 12.9968 13.1960 13.3557 13.3785 k = 0.3333 0.5774-0.0000 ( 5433 PWs) bands (ev): -3.0987 -3.0987 -3.0065 -3.0065 -3.0008 -2.9856 0.0267 0.0947 0.0947 0.1329 0.3499 0.3500 0.3620 0.4386 0.5777 0.5777 0.6475 0.6475 1.3793 1.4512 1.5591 1.5591 1.9076 1.9077 1.9477 1.9477 2.0751 2.1175 2.1175 2.1176 2.3405 2.3406 2.4458 2.4655 2.4949 2.4949 3.1634 3.2578 3.2578 3.2979 3.4706 3.4706 4.2414 4.2414 5.4107 5.4690 5.4690 5.5623 6.6467 6.6467 7.1653 7.1653 7.3899 7.4381 8.9619 8.9619 10.1425 10.2977 10.4393 10.4393 13.0088 13.2106 13.3761 13.3761 k = 0.3333 0.5774-0.0000 ( 5433 PWs) bands (ev): -3.0987 -3.0987 -3.0065 -3.0065 -3.0008 -2.9856 0.0267 0.0947 0.0947 0.1329 0.3499 0.3500 0.3620 0.4386 0.5777 0.5777 0.6475 0.6475 1.3793 1.4512 1.5591 1.5591 1.9076 1.9077 1.9477 1.9477 2.0751 2.1175 2.1175 2.1176 2.3405 2.3406 2.4458 2.4655 2.4949 2.4949 3.1634 3.2578 3.2578 3.2979 3.4706 3.4706 4.2414 4.2414 5.4107 5.4690 5.4690 5.5623 6.6467 6.6467 7.1653 7.1653 7.3899 7.4381 8.9619 8.9619 10.1425 10.2977 10.4393 10.4393 13.0088 13.2106 13.3761 13.3761 k = 0.3264 0.5653-0.0000 ( 5441 PWs) bands (ev): -3.1010 -3.0991 -3.0115 -3.0103 -2.9947 -2.9824 0.0267 0.0943 0.0948 0.1330 0.3486 0.3513 0.3616 0.4381 0.5756 0.5796 0.6467 0.6484 1.3793 1.4506 1.5551 1.5638 1.9021 1.9129 1.9477 1.9483 2.0744 2.1151 2.1160 2.1221 2.3387 2.3410 2.4431 2.4607 2.4950 2.5025 3.1605 3.2450 3.2624 3.2982 3.4700 3.4803 4.2443 4.2486 5.3928 5.4560 5.4943 5.5819 6.6348 6.6530 7.1566 7.1580 7.3983 7.4404 8.9578 8.9752 10.1323 10.2790 10.4540 10.4608 12.9985 13.1978 13.3601 13.3760 k = 0.3194 0.5533-0.0000 ( 5437 PWs) bands (ev): -3.1068 -3.1025 -3.0170 -3.0164 -2.9868 -2.9761 0.0266 0.0933 0.0953 0.1332 0.3472 0.3526 0.3605 0.4366 0.5728 0.5820 0.6459 0.6488 1.3795 1.4487 1.5524 1.5682 1.8966 1.9174 1.9490 1.9492 2.0719 2.1141 2.1142 2.1268 2.3357 2.3392 2.4368 2.4529 2.4986 2.5137 3.1512 3.2309 3.2529 3.3013 3.4788 3.4969 4.2574 4.2665 5.3670 5.4336 5.5406 5.6244 6.6178 6.6539 7.1290 7.1359 7.4241 7.4495 8.9636 8.9964 10.1082 10.2423 10.4899 10.5075 12.9712 13.1636 13.3332 13.3582 k = 0.3125 0.5413-0.0000 ( 5437 PWs) bands (ev): -3.1162 -3.1094 -3.0219 -3.0208 -2.9793 -2.9693 0.0266 0.0917 0.0960 0.1335 0.3458 0.3538 0.3585 0.4342 0.5697 0.5849 0.6448 0.6486 1.3799 1.4457 1.5514 1.5723 1.8914 1.9207 1.9502 1.9517 2.0678 2.1121 2.1146 2.1317 2.3318 2.3348 2.4293 2.4465 2.5030 2.5241 3.1340 3.2202 3.2321 3.3065 3.4959 3.5184 4.2809 4.2952 5.3467 5.4142 5.5939 5.6765 6.5963 6.6495 7.0835 7.1026 7.4625 7.4669 8.9784 9.0246 10.0794 10.2044 10.5378 10.5625 12.9309 13.1135 13.2980 13.3267 k = 0.3056 0.5292-0.0000 ( 5441 PWs) bands (ev): -3.1290 -3.1200 -3.0259 -3.0230 -2.9724 -2.9628 0.0265 0.0895 0.0969 0.1338 0.3443 0.3548 0.3560 0.4311 0.5661 0.5885 0.6432 0.6475 1.3805 1.4420 1.5518 1.5760 1.8867 1.9230 1.9513 1.9558 2.0624 2.1099 2.1161 2.1366 2.3270 2.3275 2.4220 2.4422 2.5066 2.5324 3.1091 3.2038 3.2164 3.3134 3.5193 3.5434 4.3142 4.3337 5.3340 5.4012 5.6515 5.7340 6.5709 6.6403 7.0276 7.0586 7.4915 7.5083 9.0011 9.0590 10.0515 10.1705 10.5919 10.6205 12.8809 13.0521 13.2569 13.2850 k = 0.2986 0.5172-0.0000 ( 5439 PWs) bands (ev): -3.1449 -3.1340 -3.0285 -3.0242 -2.9661 -2.9568 0.0264 0.0868 0.0979 0.1340 0.3427 0.3530 0.3555 0.4275 0.5623 0.5924 0.6412 0.6454 1.3814 1.4379 1.5535 1.5791 1.8825 1.9244 1.9523 1.9607 2.0563 2.1075 2.1181 2.1415 2.3176 2.3213 2.4156 2.4399 2.5083 2.5380 3.0791 3.1709 3.2201 3.3229 3.5470 3.5709 4.3564 4.3811 5.3293 5.3958 5.7122 5.7952 6.5422 6.6267 6.9653 7.0067 7.5217 7.5580 9.0306 9.0987 10.0273 10.1421 10.6492 10.6798 12.8239 12.9826 13.2118 13.2361 k = 0.2917 0.5052-0.0000 ( 5445 PWs) bands (ev): -3.1632 -3.1511 -3.0302 -3.0248 -2.9605 -2.9514 0.0263 0.0837 0.0991 0.1342 0.3406 0.3500 0.3558 0.4237 0.5580 0.5963 0.6388 0.6422 1.3827 1.4341 1.5560 1.5817 1.8789 1.9253 1.9533 1.9661 2.0497 2.1049 2.1202 2.1465 2.3057 2.3150 2.4101 2.4389 2.5077 2.5407 3.0468 3.1359 3.2309 3.3358 3.5775 3.6003 4.4062 4.4361 5.3328 5.3982 5.7753 5.8589 6.5107 6.6096 6.8994 6.9496 7.5557 7.6097 9.0659 9.1428 10.0082 10.1199 10.7080 10.7393 12.7616 12.9077 13.1639 13.1825 k = 0.2847 0.4932-0.0000 ( 5455 PWs) bands (ev): -3.1837 -3.1707 -3.0314 -3.0252 -2.9557 -2.9467 0.0261 0.0804 0.1003 0.1341 0.3375 0.3474 0.3557 0.4198 0.5533 0.5997 0.6364 0.6380 1.3842 1.4306 1.5592 1.5835 1.8759 1.9258 1.9539 1.9715 2.0431 2.1022 2.1222 2.1514 2.2923 2.3080 2.4057 2.4381 2.5046 2.5410 3.0148 3.1006 3.2486 3.3528 3.6098 3.6310 4.4626 4.4975 5.3444 5.4085 5.8403 5.9242 6.4770 6.5898 6.8318 6.8895 7.5921 7.6619 9.1061 9.1908 9.9947 10.1039 10.7673 10.7983 12.6956 12.8292 13.1145 13.1260 k = 0.2778 0.4811-0.0000 ( 5451 PWs) bands (ev): -3.2061 -3.1925 -3.0324 -3.0256 -2.9517 -2.9429 0.0258 0.0768 0.1016 0.1339 0.3333 0.3457 0.3550 0.4160 0.5480 0.6017 0.6327 0.6345 1.3861 1.4279 1.5627 1.5847 1.8733 1.9260 1.9543 1.9767 2.0368 2.0993 2.1241 2.1563 2.2780 2.3006 2.4020 2.4364 2.4989 2.5392 2.9850 3.0667 3.2729 3.3744 3.6434 3.6627 4.5244 4.5642 5.3641 5.4266 5.9067 5.9900 6.4416 6.5680 6.7638 6.8282 7.6299 7.7139 9.1504 9.2419 9.9869 10.0943 10.8262 10.8564 12.6271 12.7484 13.0639 13.0680 k = 0.2708 0.4691-0.0000 ( 5449 PWs) bands (ev): -3.2301 -3.2162 -3.0335 -3.0263 -2.9484 -2.9398 0.0255 0.0731 0.1028 0.1335 0.3283 0.3446 0.3539 0.4126 0.5422 0.6011 0.6265 0.6339 1.3884 1.4260 1.5664 1.5851 1.8709 1.9261 1.9543 1.9815 2.0308 2.0962 2.1256 2.1611 2.2632 2.2930 2.3990 2.4329 2.4906 2.5362 2.9590 3.0357 3.3035 3.4008 3.6776 3.6952 4.5907 4.6353 5.3915 5.4524 5.9738 6.0553 6.4052 6.5457 6.6969 6.7674 7.6683 7.7649 9.1981 9.2959 9.9846 10.0909 10.8842 10.9129 12.5572 12.6666 13.0097 13.0123 k = 0.2639 0.4571-0.0000 ( 5443 PWs) bands (ev): -3.2557 -3.2415 -3.0348 -3.0272 -2.9461 -2.9376 0.0252 0.0692 0.1039 0.1328 0.3226 0.3438 0.3523 0.4095 0.5357 0.5975 0.6194 0.6350 1.3910 1.4250 1.5700 1.5848 1.8683 1.9260 1.9538 1.9858 2.0256 2.0929 2.1267 2.1656 2.2484 2.2851 2.3963 2.4269 2.4800 2.5325 2.9381 3.0087 3.3400 3.4321 3.7121 3.7280 4.6607 4.7098 5.4263 5.4854 6.0414 6.1182 6.3686 6.5245 6.6322 6.7087 7.7069 7.8144 9.2485 9.3520 9.9874 10.0932 10.9405 10.9673 12.4869 12.5846 12.9520 12.9591 k = 0.2569 0.4450-0.0000 ( 5447 PWs) bands (ev): -3.2826 -3.2684 -3.0363 -3.0286 -2.9446 -2.9362 0.0248 0.0654 0.1048 0.1320 0.3167 0.3434 0.3502 0.4068 0.5285 0.5913 0.6116 0.6372 1.3938 1.4247 1.5734 1.5838 1.8653 1.9257 1.9529 1.9893 2.0212 2.0894 2.1274 2.1699 2.2340 2.2773 2.3935 2.4182 2.4676 2.5282 2.9233 2.9868 3.3820 3.4681 3.7465 3.7611 4.7337 4.7869 5.4683 5.5254 6.1085 6.1761 6.3325 6.5067 6.5707 6.6537 7.7454 7.8621 9.3011 9.4101 9.9949 10.1009 10.9946 11.0190 12.4169 12.5032 12.8955 12.9028 k = 0.2500 0.4330-0.0000 ( 5447 PWs) bands (ev): -3.3109 -3.2967 -3.0382 -3.0303 -2.9440 -2.9357 0.0244 0.0615 0.1056 0.1308 0.3105 0.3431 0.3478 0.4045 0.5207 0.5832 0.6032 0.6395 1.3969 1.4251 1.5765 1.5821 1.8614 1.9253 1.9517 1.9920 2.0178 2.0858 2.1276 2.1737 2.2202 2.2696 2.3902 2.4070 2.4538 2.5232 2.9155 2.9709 3.4290 3.5089 3.7806 3.7942 4.8089 4.8657 5.5168 5.5717 6.1738 6.2244 6.2983 6.4957 6.5141 6.6053 7.7835 7.9076 9.3553 9.4697 10.0063 10.1134 11.0457 11.0673 12.3481 12.4232 12.8410 12.8433 k = 0.2431 0.4210-0.0000 ( 5447 PWs) bands (ev): -3.3403 -3.3263 -3.0405 -3.0324 -2.9442 -2.9361 0.0240 0.0577 0.1061 0.1295 0.3041 0.3430 0.3451 0.4025 0.5123 0.5737 0.5943 0.6414 1.4001 1.4261 1.5791 1.5798 1.8564 1.9247 1.9504 1.9939 2.0153 2.0818 2.1273 2.1770 2.2074 2.2621 2.3860 2.3941 2.4391 2.5172 2.9150 2.9613 3.4807 3.5543 3.8139 3.8270 4.8857 4.9453 5.5715 5.6240 6.2299 6.2568 6.2723 6.4648 6.4907 6.5717 7.8211 7.9508 9.4108 9.5305 10.0209 10.1302 11.0930 11.1113 12.2815 12.3452 12.7823 12.7888 k = 0.2361 0.4090-0.0000 ( 5445 PWs) bands (ev): -3.3708 -3.3570 -3.0431 -3.0350 -2.9454 -2.9374 0.0235 0.0539 0.1063 0.1279 0.2977 0.3423 0.3430 0.4008 0.5034 0.5631 0.5850 0.6426 1.4032 1.4275 1.5769 1.5812 1.8502 1.9239 1.9492 1.9950 2.0136 2.0777 2.1264 2.1796 2.1959 2.2549 2.3801 2.3804 2.4245 2.5097 2.9219 2.9587 3.5366 3.6041 3.8461 3.8593 4.9632 5.0246 5.6317 5.6816 6.2277 6.2705 6.2979 6.4306 6.4764 6.5727 7.8583 7.9915 9.4670 9.5922 10.0379 10.1505 11.1352 11.1502 12.2181 12.2699 12.7215 12.7393 k = 0.2292 0.3969-0.0000 ( 5457 PWs) bands (ev): -3.4022 -3.3886 -3.0460 -3.0379 -2.9474 -2.9396 0.0230 0.0502 0.1062 0.1261 0.2911 0.3394 0.3431 0.3992 0.4940 0.5516 0.5755 0.6429 1.4063 1.4292 1.5735 1.5827 1.8427 1.9231 1.9482 1.9952 2.0124 2.0733 2.1249 2.1816 2.1860 2.2481 2.3656 2.3728 2.4106 2.5008 2.9358 2.9628 3.5963 3.6580 3.8769 3.8909 5.0408 5.1024 5.6968 5.7438 6.2045 6.2696 6.3160 6.4347 6.4504 6.6078 7.8951 8.0297 9.5235 9.6544 10.0567 10.1735 11.1710 11.1828 12.1592 12.1981 12.6622 12.6926 k = 0.2222 0.3849-0.0000 ( 5455 PWs) bands (ev): -3.4345 -3.4212 -3.0493 -3.0412 -2.9503 -2.9426 0.0224 0.0465 0.1058 0.1240 0.2845 0.3365 0.3433 0.3978 0.4843 0.5394 0.5658 0.6421 1.4093 1.4309 1.5699 1.5834 1.8342 1.9221 1.9474 1.9945 2.0116 2.0688 2.1228 2.1778 2.1827 2.2418 2.3512 2.3628 2.3982 2.4907 2.9563 2.9738 3.6594 3.7159 3.9060 3.9216 5.1176 5.1770 5.7661 5.8096 6.1857 6.2619 6.3011 6.4257 6.4800 6.6584 7.9316 8.0652 9.5799 9.7169 10.0763 10.1986 11.1987 11.2078 12.1063 12.1308 12.6052 12.6489 k = 0.2153 0.3729-0.0000 ( 5451 PWs) bands (ev): -3.4674 -3.4544 -3.0529 -3.0449 -2.9540 -2.9465 0.0218 0.0430 0.1050 0.1218 0.2778 0.3337 0.3436 0.3964 0.4744 0.5267 0.5561 0.6401 1.4119 1.4327 1.5659 1.5834 1.8250 1.9211 1.9468 1.9931 2.0108 2.0642 2.1204 2.1712 2.1829 2.2359 2.3372 2.3510 2.3875 2.4796 2.9825 2.9910 3.7253 3.7773 3.9333 3.9513 5.1927 5.2469 5.8384 5.8781 6.1743 6.2533 6.2814 6.4077 6.5382 6.7150 7.9681 8.0982 9.6357 9.7791 10.0962 10.2248 11.2164 11.2236 12.0611 12.0692 12.5512 12.6078 k = 0.2083 0.3608-0.0000 ( 5457 PWs) bands (ev): -3.5008 -3.4883 -3.0568 -3.0489 -2.9586 -2.9512 0.0212 0.0395 0.1038 0.1193 0.2711 0.3309 0.3441 0.3951 0.4644 0.5136 0.5465 0.6370 1.4141 1.4342 1.5618 1.5826 1.8155 1.9201 1.9461 1.9908 2.0099 2.0595 2.1177 2.1662 2.1821 2.2306 2.3239 2.3382 2.3778 2.4678 3.0137 3.0140 3.7929 3.8412 3.9593 3.9805 5.2650 5.3101 5.9118 5.9476 6.1727 6.2477 6.2688 6.3990 6.5989 6.7737 8.0045 8.1287 9.6905 9.8408 10.1156 10.2516 11.2221 11.2284 12.0149 12.0252 12.5006 12.5690 k = 0.2014 0.3488-0.0000 ( 5453 PWs) bands (ev): -3.5347 -3.5226 -3.0610 -3.0532 -2.9638 -2.9566 0.0205 0.0360 0.1022 0.1166 0.2643 0.3281 0.3445 0.3938 0.4544 0.5003 0.5371 0.6327 1.4159 1.4356 1.5576 1.5811 1.8059 1.9192 1.9453 1.9879 2.0087 2.0549 2.1150 2.1625 2.1803 2.2259 2.3114 2.3254 2.3688 2.4557 3.0421 3.0491 3.8601 3.9046 3.9865 4.0110 5.3334 5.3648 5.9830 6.0160 6.1841 6.2482 6.2679 6.4017 6.6593 6.8323 8.0412 8.1568 9.7437 9.9015 10.1343 10.2781 11.2143 11.2207 11.9693 11.9998 12.4539 12.5322 k = 0.1944 0.3368-0.0000 ( 5445 PWs) bands (ev): -3.5688 -3.5571 -3.0654 -3.0578 -2.9699 -2.9628 0.0196 0.0326 0.1003 0.1137 0.2575 0.3255 0.3451 0.3924 0.4446 0.4869 0.5280 0.6275 1.4172 1.4366 1.5534 1.5787 1.7967 1.9183 1.9443 1.9842 2.0072 2.0505 2.1125 2.1599 2.1773 2.2216 2.2998 2.3132 2.3601 2.4435 3.0745 3.0881 3.9214 3.9562 4.0259 4.0477 5.3969 5.4097 6.0456 6.0804 6.2136 6.2574 6.2821 6.4182 6.7187 6.8897 8.0783 8.1826 9.7948 9.9608 10.1519 10.3039 11.1925 11.1994 11.9334 11.9847 12.4112 12.4975 k = 0.1875 0.3248-0.0000 ( 5449 PWs) bands (ev): -3.6031 -3.5918 -3.0701 -3.0626 -2.9765 -2.9697 0.0187 0.0292 0.0981 0.1106 0.2506 0.3229 0.3457 0.3910 0.4350 0.4737 0.5192 0.6212 1.4179 1.4372 1.5492 1.5757 1.7880 1.9174 1.9431 1.9799 2.0054 2.0463 2.1103 2.1582 2.1733 2.2177 2.2893 2.3022 2.3517 2.4314 3.1104 3.1299 3.9678 3.9840 4.0891 4.0990 5.4447 5.4545 6.0935 6.1378 6.2660 6.2775 6.3133 6.4507 6.7764 6.9452 8.1157 8.2062 9.8433 10.0182 10.1685 10.3286 11.1573 11.1642 11.9077 11.9785 12.3731 12.4654 k = 0.1806 0.3127-0.0000 ( 5449 PWs) bands (ev): -3.6373 -3.6266 -3.0750 -3.0677 -2.9838 -2.9772 0.0177 0.0258 0.0956 0.1074 0.2437 0.3204 0.3464 0.3895 0.4257 0.4607 0.5109 0.6142 1.4181 1.4374 1.5451 1.5719 1.7799 1.9167 1.9415 1.9750 2.0032 2.0424 2.1084 2.1571 2.1682 2.2142 2.2797 2.2925 2.3434 2.4195 3.1492 3.1738 3.9963 3.9979 4.1660 4.1680 5.4707 5.5056 6.1299 6.1871 6.3087 6.3371 6.3613 6.5002 6.8325 6.9984 8.1536 8.2276 9.8884 10.0731 10.1844 10.3518 11.1105 11.1160 11.8911 11.9781 12.3399 12.4376 k = 0.1736 0.3007-0.0000 ( 5455 PWs) bands (ev): -3.6714 -3.6612 -3.0800 -3.0729 -2.9917 -2.9852 0.0164 0.0224 0.0929 0.1040 0.2368 0.3179 0.3470 0.3878 0.4168 0.4481 0.5031 0.6064 1.4178 1.4371 1.5409 1.5675 1.7727 1.9160 1.9396 1.9695 2.0007 2.0388 2.1069 2.1565 2.1623 2.2110 2.2710 2.2841 2.3355 2.4079 3.1900 3.2191 4.0050 4.0123 4.2490 4.2495 5.4897 5.5504 6.1631 6.2318 6.3494 6.4127 6.4298 6.5649 6.8868 7.0491 8.1919 8.2469 9.9292 10.1249 10.2002 10.3736 11.0543 11.0569 11.8817 11.9796 12.3123 12.4163 k = 0.1667 0.2887-0.0000 ( 5451 PWs) bands (ev): -3.7053 -3.6955 -3.0852 -3.0783 -3.0001 -2.9938 0.0150 0.0190 0.0901 0.1004 0.2298 0.3154 0.3477 0.3859 0.4084 0.4362 0.4958 0.5980 1.4170 1.4364 1.5368 1.5626 1.7662 1.9154 1.9375 1.9636 1.9980 2.0356 2.1057 2.1559 2.1563 2.2080 2.2633 2.2770 2.3278 2.3967 3.2322 3.2652 4.0072 4.0204 4.3372 4.3377 5.5039 5.5896 6.1991 6.2762 6.3971 6.4854 6.5171 6.6412 6.9396 7.0973 8.2303 8.2643 9.9647 10.1729 10.2168 10.3937 10.9894 10.9912 11.8770 11.9785 12.2914 12.4041 k = 0.1597 0.2766-0.0000 ( 5451 PWs) bands (ev): -3.7387 -3.7294 -3.0905 -3.0839 -3.0088 -3.0028 0.0133 0.0156 0.0872 0.0967 0.2229 0.3128 0.3483 0.3837 0.4006 0.4252 0.4891 0.5893 1.4159 1.4352 1.5326 1.5572 1.7606 1.9149 1.9352 1.9572 1.9952 2.0327 2.1046 2.1490 2.1565 2.2053 2.2564 2.2710 2.3205 2.3859 3.2750 3.3115 4.0054 4.0229 4.4298 4.4307 5.5157 5.6243 6.2403 6.3238 6.4502 6.5622 6.6103 6.7254 6.9912 7.1432 8.2686 8.2797 9.9934 10.2159 10.2352 10.4125 10.9167 10.9238 11.8741 11.9714 12.2783 12.4027 k = 0.1528 0.2646-0.0000 ( 5455 PWs) bands (ev): -3.7716 -3.7628 -3.0959 -3.0896 -3.0180 -3.0121 0.0114 0.0121 0.0845 0.0930 0.2160 0.3100 0.3487 0.3810 0.3934 0.4153 0.4829 0.5803 1.4144 1.4336 1.5283 1.5515 1.7558 1.9142 1.9327 1.9504 1.9924 2.0301 2.1037 2.1421 2.1569 2.2028 2.2503 2.2658 2.3136 2.3757 3.3177 3.3571 4.0002 4.0211 4.5256 4.5283 5.5271 5.6561 6.2878 6.3759 6.5072 6.6424 6.7058 6.8146 7.0423 7.1873 8.2932 8.3065 10.0138 10.2516 10.2565 10.4300 10.8426 10.8546 11.8703 11.9566 12.2740 12.4121 k = 0.1458 0.2526-0.0000 ( 5445 PWs) bands (ev): -3.8038 -3.7955 -3.1013 -3.0953 -3.0274 -3.0218 0.0086 0.0091 0.0820 0.0892 0.2093 0.3070 0.3490 0.3775 0.3870 0.4069 0.4773 0.5711 1.4127 1.4315 1.5240 1.5456 1.7518 1.9135 1.9300 1.9434 1.9895 2.0277 2.1029 2.1353 2.1575 2.2004 2.2449 2.2613 2.3071 2.3659 3.3598 3.4017 3.9920 4.0156 4.6247 4.6296 5.5395 5.6866 6.3417 6.4330 6.5668 6.7232 6.8022 6.9068 7.0938 7.2300 8.3048 8.3435 10.0240 10.2755 10.2815 10.4471 10.7726 10.7866 11.8638 11.9342 12.2791 12.4297 k = 0.1389 0.2406-0.0000 ( 5441 PWs) bands (ev): -3.8353 -3.8275 -3.1068 -3.1011 -3.0370 -3.0316 0.0052 0.0066 0.0796 0.0854 0.2027 0.3037 0.3488 0.3732 0.3816 0.4003 0.4723 0.5619 1.4107 1.4291 1.5196 1.5394 1.7485 1.9126 1.9273 1.9363 1.9868 2.0254 2.1020 2.1287 2.1583 2.1983 2.2401 2.2573 2.3011 2.3568 3.4008 3.4444 3.9813 4.0073 4.7271 4.7343 5.5543 5.7170 6.4017 6.4948 6.6276 6.8022 6.8988 7.0005 7.1473 7.2720 8.3147 8.3791 10.0222 10.2795 10.3103 10.4659 10.7145 10.7231 11.8535 11.9057 12.2928 12.4505 k = 0.1319 0.2285-0.0000 ( 5453 PWs) bands (ev): -3.8659 -3.8586 -3.1123 -3.1069 -3.0467 -3.0416 0.0017 0.0038 0.0776 0.0817 0.1963 0.2999 0.3480 0.3681 0.3772 0.3954 0.4677 0.5527 1.4087 1.4263 1.5150 1.5332 1.7459 1.9111 1.9245 1.9295 1.9843 2.0232 2.1011 2.1226 2.1591 2.1964 2.2359 2.2536 2.2956 2.3481 3.4400 3.4848 3.9687 3.9966 4.8324 4.8421 5.5724 5.7486 6.4673 6.5609 6.6881 6.8765 6.9947 7.0945 7.2044 7.3143 8.3228 8.4129 10.0062 10.2542 10.3428 10.4889 10.6680 10.6765 11.8393 11.8728 12.3129 12.4647 k = 0.1250 0.2165-0.0000 ( 5441 PWs) bands (ev): -3.8956 -3.8887 -3.1177 -3.1127 -3.0564 -3.0516 -0.0018 0.0007 0.0759 0.0780 0.1903 0.2957 0.3466 0.3627 0.3742 0.3918 0.4637 0.5438 1.4065 1.4232 1.5103 1.5270 1.7438 1.9084 1.9217 1.9236 1.9820 2.0209 2.1002 2.1170 2.1601 2.1947 2.2323 2.2500 2.2907 2.3400 3.4771 3.5223 3.9545 3.9841 4.9406 4.9529 5.5943 5.7822 6.5377 6.6304 6.7470 6.9437 7.0894 7.1874 7.2668 7.3579 8.3292 8.4445 9.9740 10.1977 10.3785 10.5169 10.6251 10.6610 11.8221 11.8370 12.3345 12.4530 k = 0.1181 0.2045-0.0000 ( 5439 PWs) bands (ev): -3.9241 -3.9177 -3.1232 -3.1185 -3.0661 -3.0616 -0.0052 -0.0026 0.0745 0.0745 0.1845 0.2910 0.3444 0.3574 0.3723 0.3891 0.4600 0.5352 1.4043 1.4199 1.5056 1.5208 1.7423 1.9037 1.9189 1.9195 1.9800 2.0186 2.0991 2.1119 2.1612 2.1932 2.2291 2.2465 2.2863 2.3325 3.5117 3.5567 3.9393 3.9703 5.0513 5.0665 5.6206 5.8184 6.6121 6.7021 6.8036 7.0024 7.1825 7.2780 7.3353 7.4044 8.3343 8.4735 9.9247 10.1170 10.4168 10.5483 10.5971 10.6636 11.7994 11.8025 12.3471 12.4032 k = 0.1111 0.1925-0.0000 ( 5447 PWs) bands (ev): -3.9515 -3.9455 -3.1285 -3.1242 -3.0756 -3.0714 -0.0086 -0.0060 0.0710 0.0733 0.1792 0.2858 0.3418 0.3526 0.3714 0.3870 0.4568 0.5268 1.4020 1.4164 1.5008 1.5147 1.7413 1.8971 1.9162 1.9171 1.9783 2.0162 2.0980 2.1074 2.1624 2.1921 2.2262 2.2431 2.2825 2.3255 3.5437 3.5875 3.9235 3.9558 5.1642 5.1826 5.6512 5.8575 6.6893 6.7742 6.8581 7.0526 7.2734 7.3639 7.4094 7.4557 8.3380 8.4995 9.8591 10.0207 10.4566 10.5808 10.5849 10.6790 11.7606 11.7816 12.3272 12.3280 k = 0.1042 0.1804-0.0000 ( 5449 PWs) bands (ev): -3.9776 -3.9720 -3.1338 -3.1298 -3.0849 -3.0811 -0.0118 -0.0094 0.0678 0.0722 0.1744 0.2801 0.3389 0.3483 0.3713 0.3853 0.4540 0.5189 1.3998 1.4127 1.4959 1.5087 1.7407 1.8894 1.9135 1.9156 1.9770 2.0137 2.0967 2.1035 2.1637 2.1911 2.2237 2.2397 2.2792 2.3191 3.5727 3.6146 3.9074 3.9410 5.2790 5.3011 5.6861 5.8996 6.7681 6.8430 6.9126 7.0955 7.3618 7.4418 7.4876 7.5151 8.3406 8.5225 9.7797 9.9146 10.4951 10.5889 10.6120 10.7040 11.7212 11.7599 12.2372 12.2602 k = 0.0972 0.1684-0.0000 ( 5449 PWs) bands (ev): -4.0024 -3.9973 -3.1389 -3.1353 -3.0939 -3.0905 -0.0150 -0.0128 0.0648 0.0713 0.1702 0.2741 0.3359 0.3445 0.3716 0.3839 0.4516 0.5113 1.3975 1.4089 1.4912 1.5030 1.7406 1.8813 1.9109 1.9145 1.9760 2.0112 2.0953 2.1000 2.1651 2.1905 2.2214 2.2362 2.2764 2.3132 3.5988 3.6378 3.8915 3.9262 5.3951 5.4216 5.7251 5.9449 6.8470 6.9022 6.9719 7.1330 7.4473 7.5097 7.5679 7.5841 8.3426 8.5422 9.6896 9.8025 10.5280 10.6102 10.6401 10.7370 11.6817 11.7379 12.1407 12.1612 k = 0.0903 0.1564-0.0000 ( 5443 PWs) bands (ev): -4.0258 -4.0210 -3.1439 -3.1408 -3.1026 -3.0994 -0.0180 -0.0162 0.0620 0.0704 0.1667 0.2678 0.3331 0.3412 0.3723 0.3827 0.4494 0.5042 1.3952 1.4051 1.4865 1.4974 1.7408 1.8730 1.9085 1.9135 1.9753 2.0086 2.0938 2.0970 2.1666 2.1901 2.2195 2.2328 2.2740 2.3078 3.6218 3.6574 3.8760 3.9119 5.5117 5.5438 5.7677 5.9932 6.9239 6.9485 7.0385 7.1674 7.5293 7.5712 7.6487 7.6584 8.3440 8.5588 9.5919 9.6867 10.5538 10.6465 10.6640 10.7762 11.6422 11.7152 12.0437 12.0524 k = 0.0833 0.1443-0.0000 ( 5447 PWs) bands (ev): -4.0477 -4.0433 -3.1488 -3.1460 -3.1107 -3.1080 -0.0209 -0.0194 0.0595 0.0695 0.1639 0.2613 0.3304 0.3383 0.3731 0.3818 0.4476 0.4976 1.3930 1.4014 1.4819 1.4921 1.7413 1.8645 1.9063 1.9125 1.9749 2.0060 2.0923 2.0943 2.1682 2.1899 2.2177 2.2295 2.2720 2.3028 3.6418 3.6732 3.8614 3.8982 5.6279 5.6668 5.8139 6.0447 6.9851 6.9963 7.1082 7.2010 7.6076 7.6309 7.7285 7.7326 8.3454 8.5723 9.4892 9.5688 10.5753 10.6838 10.6903 10.8188 11.6033 11.6898 11.9469 11.9517 k = 0.0764 0.1323-0.0000 ( 5447 PWs) bands (ev): -4.0680 -4.0641 -3.1534 -3.1512 -3.1183 -3.1160 -0.0237 -0.0224 0.0573 0.0685 0.1620 0.2547 0.3280 0.3357 0.3740 0.3810 0.4461 0.4914 1.3908 1.3977 1.4775 1.4871 1.7422 1.8561 1.9043 1.9115 1.9749 2.0035 2.0907 2.0919 2.1698 2.1900 2.2161 2.2263 2.2704 2.2983 3.6589 3.6855 3.8479 3.8856 5.7417 5.7882 5.8651 6.1001 7.0156 7.0604 7.1768 7.2366 7.6816 7.6906 7.8037 7.8063 8.3471 8.5828 9.3836 9.4503 10.5946 10.6991 10.7343 10.8615 11.5657 11.6567 11.8576 11.8699 k = 0.0694 0.1203-0.0000 ( 5447 PWs) bands (ev): -4.0868 -4.0832 -3.1579 -3.1561 -3.1253 -3.1234 -0.0262 -0.0253 0.0554 0.0673 0.1608 0.2481 0.3259 0.3333 0.3749 0.3804 0.4448 0.4856 1.3887 1.3941 1.4734 1.4824 1.7435 1.8477 1.9025 1.9104 1.9750 2.0010 2.0890 2.0897 2.1715 2.1902 2.2147 2.2232 2.2690 2.2942 3.6730 3.6946 3.8358 3.8741 5.8504 5.8875 5.9404 6.1609 7.0417 7.1127 7.2414 7.2767 7.7505 7.7511 7.8701 7.8811 8.3495 8.5906 9.2774 9.3326 10.6116 10.7097 10.7722 10.8995 11.5317 11.6091 11.7982 11.8034 k = 0.0625 0.1083-0.0000 ( 5451 PWs) bands (ev): -4.1039 -4.1007 -3.1622 -3.1608 -3.1317 -3.1301 -0.0285 -0.0278 0.0537 0.0660 0.1605 0.2415 0.3240 0.3311 0.3759 0.3800 0.4439 0.4803 1.3866 1.3908 1.4696 1.4780 1.7451 1.8395 1.9010 1.9093 1.9754 1.9986 2.0874 2.0878 2.1732 2.1906 2.2134 2.2204 2.2680 2.2905 3.6843 3.7009 3.8255 3.8639 5.9462 5.9496 6.0570 6.2300 7.0648 7.1517 7.2999 7.3209 7.8102 7.8157 7.9309 7.9523 8.3530 8.5958 9.1725 9.2173 10.6251 10.7148 10.7978 10.9264 11.5058 11.5539 11.7554 11.7703 k = 0.0556 0.0962-0.0000 ( 5455 PWs) bands (ev): -4.1193 -4.1165 -3.1663 -3.1652 -3.1373 -3.1362 -0.0306 -0.0302 0.0524 0.0645 0.1611 0.2350 0.3224 0.3291 0.3767 0.3798 0.4432 0.4753 1.3846 1.3877 1.4662 1.4739 1.7471 1.8314 1.8997 1.9082 1.9759 1.9964 2.0859 2.0861 2.1750 2.1910 2.2124 2.2177 2.2672 2.2871 3.6928 3.7047 3.8172 3.8550 5.9956 6.0344 6.1819 6.3107 7.0856 7.1796 7.3505 7.3651 7.8688 7.8751 7.9853 8.0191 8.3582 8.5987 9.0712 9.1062 10.6339 10.7141 10.8061 10.9338 11.4938 11.5112 11.7271 11.7630 k = 0.0486 0.0842-0.0000 ( 5465 PWs) bands (ev): -4.1330 -4.1305 -3.1701 -3.1693 -3.1423 -3.1415 -0.0325 -0.0322 0.0514 0.0629 0.1624 0.2285 0.3210 0.3272 0.3776 0.3797 0.4429 0.4708 1.3828 1.3849 1.4632 1.4702 1.7494 1.8235 1.8988 1.9070 1.9766 1.9943 2.0845 2.0845 2.1767 2.1913 2.2114 2.2154 2.2666 2.2840 3.6987 3.7066 3.8111 3.8473 6.0419 6.1020 6.3075 6.4042 7.1044 7.1996 7.3913 7.4038 7.9246 7.9286 8.0327 8.0805 8.3658 8.5997 8.9757 9.0016 10.6372 10.7078 10.7953 10.9159 11.4955 11.4993 11.7170 11.7678 k = 0.0417 0.0722-0.0000 ( 5457 PWs) bands (ev): -4.1449 -4.1428 -3.1735 -3.1731 -3.1466 -3.1460 -0.0342 -0.0340 0.0506 0.0612 0.1644 0.2222 0.3200 0.3255 0.3783 0.3796 0.4428 0.4666 1.3810 1.3824 1.4606 1.4668 1.7522 1.8159 1.8981 1.9058 1.9774 1.9924 2.0831 2.0832 2.1784 2.1916 2.2107 2.2134 2.2663 2.2811 3.7022 3.7070 3.8073 3.8406 6.0852 6.1537 6.4318 6.5074 7.1215 7.2138 7.4205 7.4323 7.9755 7.9757 8.0734 8.1349 8.3769 8.5993 8.8885 8.9059 10.6351 10.6965 10.7690 10.8755 11.5078 11.5212 11.7226 11.7801 k = 0.0347 0.0601-0.0000 ( 5455 PWs) bands (ev): -4.1549 -4.1532 -3.1766 -3.1764 -3.1501 -3.1498 -0.0356 -0.0355 0.0502 0.0594 0.1671 0.2160 0.3192 0.3240 0.3789 0.3797 0.4430 0.4628 1.3795 1.3803 1.4584 1.4638 1.7553 1.8085 1.8976 1.9046 1.9783 1.9906 2.0820 2.0820 2.1801 2.1916 2.2100 2.2117 2.2662 2.2786 3.7039 3.7065 3.8054 3.8348 6.1247 6.1921 6.5533 6.6156 7.1366 7.2235 7.4364 7.4475 8.0149 8.0190 8.1085 8.1802 8.3930 8.5982 8.8114 8.8220 10.6285 10.6814 10.7342 10.8220 11.5397 11.5542 11.7403 11.7964 k = 0.0278 0.0481-0.0000 ( 5457 PWs) bands (ev): -4.1632 -4.1618 -3.1792 -3.1791 -3.1530 -3.1529 -0.0367 -0.0367 0.0501 0.0578 0.1703 0.2100 0.3186 0.3226 0.3794 0.3798 0.4436 0.4594 1.3781 1.3786 1.4568 1.4612 1.7588 1.8015 1.8975 1.9033 1.9792 1.9890 2.0810 2.0810 2.1818 2.1914 2.2095 2.2104 2.2664 2.2763 3.7042 3.7054 3.8052 3.8297 6.1599 6.2199 6.6702 6.7238 7.1495 7.2290 7.4381 7.4475 8.0459 8.0515 8.1404 8.2140 8.4157 8.5971 8.7453 8.7522 10.6194 10.6645 10.6979 10.7654 11.5810 11.5921 11.7654 11.8138 k = 0.0208 0.0361-0.0000 ( 5457 PWs) bands (ev): -4.1696 -4.1686 -3.1814 -3.1814 -3.1553 -3.1552 -0.0376 -0.0376 0.0502 0.0562 0.1741 0.2041 0.3183 0.3214 0.3798 0.3799 0.4444 0.4563 1.3770 1.3772 1.4556 1.4591 1.7627 1.7948 1.8976 1.9022 1.9802 1.9875 2.0802 2.0802 2.1834 2.1909 2.2091 2.2095 2.2668 2.2742 3.7037 3.7042 3.8062 3.8252 6.1901 6.2383 6.7796 6.8271 7.1594 7.2299 7.4260 7.4328 8.0681 8.0721 8.1705 8.2353 8.4452 8.5969 8.6899 8.6982 10.6103 10.6478 10.6659 10.7128 11.6233 11.6297 11.7926 11.8292 k = 0.0139 0.0241-0.0000 ( 5453 PWs) bands (ev): -4.1742 -4.1735 -3.1830 -3.1830 -3.1569 -3.1568 -0.0383 -0.0383 0.0506 0.0547 0.1782 0.1984 0.3183 0.3203 0.3800 0.3801 0.4456 0.4535 1.3762 1.3762 1.4550 1.4573 1.7671 1.7885 1.8979 1.9011 1.9813 1.9861 2.0796 2.0796 2.1850 2.1901 2.2088 2.2089 2.2674 2.2724 3.7031 3.7032 3.8082 3.8210 6.2147 6.2484 6.8772 6.9183 7.1657 7.2247 7.4041 7.4076 8.0819 8.0835 8.1977 8.2450 8.4796 8.5972 8.6440 8.6596 10.6042 10.6336 10.6418 10.6687 11.6596 11.6620 11.8167 11.8403 k = 0.0069 0.0120-0.0000 ( 5455 PWs) bands (ev): -4.1768 -4.1765 -3.1839 -3.1839 -3.1578 -3.1578 -0.0387 -0.0387 0.0513 0.0533 0.1828 0.1929 0.3184 0.3195 0.3802 0.3802 0.4471 0.4510 1.3756 1.3756 1.4549 1.4560 1.7718 1.7825 1.8985 1.9001 1.9824 1.9848 2.0793 2.0793 2.1865 2.1891 2.2086 2.2086 2.2683 2.2708 3.7025 3.7025 3.8108 3.8172 6.2333 6.2506 6.9548 6.9830 7.1717 7.2103 7.3817 7.3824 8.0888 8.0891 8.2202 8.2448 8.5166 8.5877 8.6162 8.6342 10.6044 10.6239 10.6271 10.6358 11.6840 11.6844 11.8342 11.8454 k = 0.0000 0.0000 0.0000 ( 5469 PWs) bands (ev): -4.1776 -4.1776 -3.1843 -3.1843 -3.1581 -3.1581 -0.0388 -0.0388 0.0522 0.0522 0.1877 0.1877 0.3189 0.3189 0.3802 0.3802 0.4489 0.4489 1.3755 1.3755 1.4552 1.4552 1.7770 1.7770 1.8992 1.8992 1.9836 1.9836 2.0792 2.0792 2.1879 2.1879 2.2085 2.2085 2.2694 2.2694 3.7023 3.7023 3.8138 3.8138 6.2454 6.2454 6.9970 6.9970 7.1877 7.1877 7.3717 7.3717 8.0908 8.0908 8.2362 8.2362 8.5540 8.5540 8.6194 8.6194 10.6137 10.6137 10.6221 10.6221 11.6925 11.6925 11.8437 11.8437 k = 0.0000 0.0000 0.0000 ( 5469 PWs) bands (ev): -4.1776 -4.1776 -3.1843 -3.1843 -3.1581 -3.1581 -0.0388 -0.0388 0.0522 0.0522 0.1877 0.1877 0.3189 0.3189 0.3802 0.3802 0.4489 0.4489 1.3755 1.3755 1.4552 1.4552 1.7770 1.7770 1.8992 1.8992 1.9836 1.9836 2.0792 2.0792 2.1879 2.1879 2.2085 2.2085 2.2694 2.2694 3.7023 3.7023 3.8138 3.8138 6.2454 6.2454 6.9970 6.9970 7.1877 7.1877 7.3717 7.3717 8.0908 8.0908 8.2362 8.2362 8.5540 8.5540 8.6194 8.6194 10.6137 10.6137 10.6221 10.6221 11.6925 11.6925 11.8437 11.8437 k = 0.0000 0.0000 0.0141 ( 5475 PWs) bands (ev): -4.1768 -4.1761 -3.2341 -3.2085 -3.1348 -3.1083 -0.0495 -0.0282 0.0441 0.0599 0.1859 0.1888 0.3165 0.3215 0.3750 0.3855 0.4441 0.4535 1.3572 1.3935 1.4220 1.4885 1.7687 1.7850 1.8992 1.8993 1.9803 1.9866 2.0772 2.0800 2.1873 2.1883 2.2021 2.2159 2.2634 2.2754 3.6202 3.7368 3.7889 3.8945 6.2435 6.2450 6.9747 7.0140 7.1756 7.1913 7.3578 7.3848 8.0362 8.1459 8.2225 8.2480 8.4991 8.5516 8.6341 8.6790 10.6060 10.6108 10.6180 10.6292 11.6425 11.7458 11.7759 11.9158 k = 0.0000 0.0000 0.0281 ( 5475 PWs) bands (ev): -4.1738 -4.1723 -3.2841 -3.2590 -3.0860 -3.0593 -0.0602 -0.0178 0.0354 0.0671 0.1833 0.1892 0.3144 0.3245 0.3700 0.3910 0.4392 0.4580 1.3388 1.3891 1.4113 1.5214 1.7603 1.7930 1.8996 1.8996 1.9767 1.9894 2.0742 2.0796 2.1868 2.1888 2.1967 2.2241 2.2574 2.2814 3.5429 3.6636 3.8797 3.9789 6.2394 6.2420 6.9472 7.0253 7.1558 7.1873 7.3435 7.3965 7.9830 8.2008 8.2088 8.2542 8.4550 8.5043 8.7083 8.7483 10.5947 10.5954 10.6189 10.6320 11.5961 11.7127 11.8021 11.9920 k = 0.0000 0.0000 0.0422 ( 5481 PWs) bands (ev): -4.1685 -4.1662 -3.3340 -3.3096 -3.0381 -3.0114 -0.0708 -0.0077 0.0260 0.0740 0.1800 0.1888 0.3127 0.3276 0.3651 0.3965 0.4342 0.4621 1.3204 1.3570 1.4288 1.5539 1.7517 1.8008 1.9000 1.9004 1.9729 1.9920 2.0702 2.0782 2.1862 2.1892 2.1922 2.2330 2.2515 2.2873 3.4707 3.5943 3.9744 4.0667 6.2325 6.2356 6.9147 7.0299 7.1297 7.1782 7.3291 7.4060 7.9326 8.1960 8.2493 8.2547 8.4298 8.4614 8.7907 8.8238 10.5762 10.5794 10.6169 10.6305 11.5534 11.6544 11.8608 12.0717 k = 0.0000 0.0000 0.0562 ( 5469 PWs) bands (ev): -4.1608 -4.1578 -3.3836 -3.3599 -2.9914 -2.9650 -0.0811 0.0022 0.0161 0.0805 0.1760 0.1879 0.3113 0.3309 0.3605 0.4022 0.4293 0.4660 1.3021 1.3260 1.4459 1.5854 1.7429 1.8085 1.9002 1.9016 1.9687 1.9944 2.0652 2.0758 2.1857 2.1887 2.1895 2.2424 2.2457 2.2931 3.4039 3.5289 4.0726 4.1579 6.2221 6.2246 6.8776 7.0266 7.0993 7.1678 7.3148 7.4119 7.8863 8.1846 8.2308 8.3070 8.4240 8.4254 8.8781 8.9046 10.5534 10.5601 10.6121 10.6248 11.5146 11.6010 11.9217 12.1544 k = 0.0000 0.0000 0.0703 ( 5481 PWs) bands (ev): -4.1510 -4.1471 -3.4327 -3.4099 -2.9463 -2.9204 -0.0911 0.0055 0.0118 0.0868 0.1713 0.1864 0.3104 0.3343 0.3560 0.4079 0.4243 0.4694 1.2839 1.2965 1.4627 1.6160 1.7340 1.8161 1.9003 1.9033 1.9643 1.9967 2.0595 2.0724 2.1851 2.1861 2.1898 2.2401 2.2521 2.2986 3.3426 3.4676 4.1741 4.2522 6.2067 6.2075 6.8374 7.0147 7.0665 7.1599 7.3008 7.4130 7.8460 8.1750 8.2033 8.3571 8.3917 8.4362 8.9692 8.9894 10.5272 10.5366 10.6049 10.6153 11.4796 11.5527 11.9842 12.2393 k = 0.0000 0.0000 0.0844 ( 5463 PWs) bands (ev): -4.1389 -4.1342 -3.4812 -3.4591 -2.9031 -2.8780 -0.1005 -0.0059 0.0212 0.0929 0.1661 0.1844 0.3098 0.3378 0.3517 0.4137 0.4194 0.4723 1.2661 1.2689 1.4791 1.6453 1.7248 1.8236 1.9000 1.9057 1.9596 1.9989 2.0530 2.0684 2.1841 2.1846 2.1901 2.2346 2.2620 2.3040 3.2872 3.4102 4.2785 4.3494 6.1826 6.1845 6.7962 6.9964 7.0327 7.1561 7.2870 7.4074 7.8137 8.1673 8.1724 8.3637 8.4045 8.4553 9.0627 9.0775 10.4975 10.5086 10.5955 10.6025 11.4485 11.5093 12.0479 12.3254 k = 0.0000 0.0000 0.0984 ( 5463 PWs) bands (ev): -4.1245 -4.1191 -3.5288 -3.5076 -2.8622 -2.8382 -0.1092 -0.0178 0.0302 0.0988 0.1604 0.1819 0.3095 0.3414 0.3476 0.4146 0.4195 0.4747 1.2435 1.2488 1.4950 1.6733 1.7154 1.8310 1.8993 1.9086 1.9545 2.0010 2.0459 2.0638 2.1827 2.1841 2.1904 2.2294 2.2719 2.3090 3.2377 3.3569 4.3855 4.4493 6.1481 6.1531 6.7574 6.9763 6.9988 7.1558 7.2736 7.3939 7.7910 8.1410 8.1616 8.3392 8.4486 8.4784 9.1577 9.1679 10.4643 10.4760 10.5845 10.5872 11.4211 11.4710 12.1125 12.4111 k = 0.0000 0.0000 0.1125 ( 5445 PWs) bands (ev): -4.1080 -4.1018 -3.5754 -3.5552 -2.8240 -2.8014 -0.1169 -0.0302 0.0389 0.1045 0.1543 0.1790 0.3096 0.3437 0.3450 0.4098 0.4252 0.4765 1.2207 1.2321 1.5105 1.6997 1.7058 1.8383 1.8981 1.9123 1.9492 2.0031 2.0382 2.0590 2.1817 2.1836 2.1907 2.2244 2.2815 2.3137 3.1944 3.3078 4.4947 4.5517 6.1027 6.1106 6.7240 6.9587 6.9653 7.1576 7.2604 7.3723 7.7785 8.1102 8.1580 8.3175 8.4891 8.5031 9.2534 9.2597 10.4273 10.4386 10.5703 10.5721 11.3972 11.4375 12.1776 12.4946 k = 0.0000 0.0000 0.1265 ( 5433 PWs) bands (ev): -4.0892 -4.0822 -3.6210 -3.6016 -2.7888 -2.7679 -0.1234 -0.0431 0.0474 0.1101 0.1480 0.1758 0.3100 0.3400 0.3486 0.4052 0.4310 0.4776 1.2006 1.2162 1.5256 1.6960 1.7245 1.8454 1.8963 1.9166 1.9435 2.0052 2.0299 2.0540 2.1811 2.1831 2.1910 2.2198 2.2906 2.3180 3.1575 3.2628 4.6058 4.6562 6.0456 6.0557 6.6987 6.9322 6.9468 7.1607 7.2472 7.3439 7.7754 8.0803 8.1565 8.2979 8.5253 8.5280 9.3489 9.3521 10.3861 10.3964 10.5530 10.5590 11.3767 11.4086 12.2428 12.5734 k = 0.0000 0.0000 0.1406 ( 5439 PWs) bands (ev): -4.0683 -4.0605 -3.6653 -3.6469 -2.7570 -2.7382 -0.1285 -0.0561 0.0556 0.1156 0.1414 0.1723 0.3107 0.3365 0.3523 0.4006 0.4366 0.4780 1.1836 1.2014 1.5402 1.6859 1.7477 1.8524 1.8937 1.9216 1.9376 2.0073 2.0212 2.0490 2.1807 2.1826 2.1914 2.2155 2.2992 2.3218 3.1268 3.2220 4.7183 4.7626 5.9771 5.9885 6.6825 6.8999 6.9424 7.1646 7.2334 7.3113 7.7800 8.0512 8.1571 8.2801 8.5521 8.5569 9.4437 9.4444 10.3403 10.3493 10.5363 10.5456 11.3593 11.3841 12.3075 12.6448 k = 0.0000 0.0000 0.1547 ( 5433 PWs) bands (ev): -4.0453 -4.0366 -3.7083 -3.6908 -2.7290 -2.7127 -0.1321 -0.0690 0.0635 0.1209 0.1348 0.1684 0.3117 0.3332 0.3560 0.3961 0.4421 0.4776 1.1696 1.1878 1.5545 1.6756 1.7691 1.8591 1.8903 1.9273 1.9314 2.0096 2.0121 2.0441 2.1805 2.1822 2.1918 2.2115 2.3069 2.3251 3.1026 3.1856 4.8319 4.8705 5.8983 5.9102 6.6752 6.8684 6.9458 7.1690 7.2170 7.2782 7.7906 8.0228 8.1596 8.2636 8.5744 8.5837 9.5359 9.5371 10.2895 10.2973 10.5212 10.5324 11.3451 11.3639 12.3709 12.7065 k = 0.0000 0.0000 0.1687 ( 5427 PWs) bands (ev): -4.0202 -4.0107 -3.7498 -3.7332 -2.7052 -2.6917 -0.1338 -0.0815 0.0712 0.1262 0.1280 0.1644 0.3129 0.3302 0.3597 0.3917 0.4475 0.4766 1.1589 1.1757 1.5683 1.6650 1.7887 1.8652 1.8866 1.9250 1.9337 2.0028 2.0119 2.0395 2.1804 2.1819 2.1925 2.2079 2.3137 2.3277 3.0847 3.1537 4.9462 4.9795 5.8104 5.8228 6.6757 6.8380 6.9567 7.1739 7.1946 7.2502 7.8057 7.9951 8.1640 8.2483 8.5943 8.6053 9.6260 9.6285 10.2337 10.2403 10.5086 10.5202 11.3337 11.3475 12.4319 12.7070 k = 0.0000 0.0000 0.1828 ( 5445 PWs) bands (ev): -3.9930 -3.9827 -3.7898 -3.7741 -2.6858 -2.6754 -0.1336 -0.0933 0.0787 0.1212 0.1314 0.1601 0.3143 0.3273 0.3635 0.3874 0.4526 0.4749 1.1513 1.1653 1.5816 1.6541 1.8065 1.8687 1.8840 1.9183 1.9408 1.9933 2.0145 2.0351 2.1804 2.1816 2.1933 2.2047 2.3194 2.3295 3.0732 3.1265 5.0606 5.0892 5.7152 5.7281 6.6828 6.8088 6.9743 7.1638 7.1793 7.2308 7.8240 7.9680 8.1701 8.2340 8.6112 8.6215 9.7141 9.7176 10.1727 10.1786 10.4990 10.5093 11.3252 11.3348 12.4886 12.6893 k = 0.0000 0.0000 0.1969 ( 5451 PWs) bands (ev): -3.9638 -3.9526 -3.8281 -3.8134 -2.6713 -2.6642 -0.1315 -0.1040 0.0861 0.1143 0.1365 0.1557 0.3159 0.3246 0.3673 0.3833 0.4574 0.4725 1.1468 1.1568 1.5946 1.6429 1.8224 1.8662 1.8861 1.9116 1.9485 1.9839 2.0173 2.0309 2.1805 2.1813 2.1944 2.2019 2.3239 2.3305 3.0678 3.1041 5.1747 5.1991 5.6141 5.6280 6.6952 6.7813 6.9976 7.1284 7.1852 7.2176 7.8446 7.9415 8.1777 8.2207 8.6244 8.6323 9.7996 9.8038 10.1068 10.1121 10.4927 10.5004 11.3196 11.3256 12.5390 12.6691 k = 0.0000 0.0000 0.2109 ( 5463 PWs) bands (ev): -3.9327 -3.9206 -3.8648 -3.8510 -2.6617 -2.6581 -0.1274 -0.1135 0.0933 0.1074 0.1415 0.1511 0.3178 0.3221 0.3712 0.3792 0.4619 0.4695 1.1452 1.1505 1.6072 1.6313 1.8365 1.8587 1.8916 1.9048 1.9567 1.9745 2.0203 2.0271 2.1806 2.1810 2.1958 2.1995 2.3272 2.3305 3.0684 3.0868 5.2879 5.3086 5.5085 5.5240 6.7120 6.7556 7.0257 7.0923 7.1917 7.2075 7.8671 7.9158 8.1867 8.2083 8.6336 8.6378 9.8821 9.8866 10.0361 10.0411 10.4899 10.4940 11.3167 11.3196 12.5818 12.6454 k = 0.0000 0.0000 0.2250 ( 5464 PWs) bands (ev): -3.8997 -3.8997 -3.8867 -3.8867 -2.6573 -2.6573 -0.1213 -0.1213 0.1004 0.1004 0.1463 0.1463 0.3199 0.3199 0.3751 0.3751 0.4659 0.4659 1.1465 1.1465 1.6194 1.6194 1.8486 1.8486 1.8980 1.8980 1.9655 1.9655 2.0235 2.0235 2.1808 2.1808 2.1975 2.1975 2.3294 2.3294 3.0748 3.0748 5.3994 5.3994 5.4172 5.4172 6.7324 6.7324 7.0576 7.0576 7.1990 7.1990 7.8909 7.8909 8.1969 8.1969 8.6382 8.6382 9.9611 9.9611 9.9659 9.9659 10.4903 10.4903 11.3167 11.3167 12.6169 12.6169 k = 0.0000 0.0000 0.2250 ( 5464 PWs) bands (ev): -3.8997 -3.8997 -3.8867 -3.8867 -2.6573 -2.6573 -0.1213 -0.1213 0.1004 0.1004 0.1463 0.1463 0.3199 0.3199 0.3751 0.3751 0.4659 0.4659 1.1465 1.1465 1.6194 1.6194 1.8486 1.8486 1.8980 1.8980 1.9655 1.9655 2.0235 2.0235 2.1808 2.1808 2.1975 2.1975 2.3294 2.3294 3.0748 3.0748 5.3994 5.3994 5.4172 5.4172 6.7324 6.7324 7.0576 7.0576 7.1990 7.1990 7.8909 7.8909 8.1969 8.1969 8.6382 8.6382 9.9611 9.9611 9.9659 9.9659 10.4903 10.4903 11.3167 11.3167 12.6169 12.6169 k = 0.0122 0.0070 0.2250 ( 5468 PWs) bands (ev): -3.8988 -3.8988 -3.8859 -3.8859 -2.6581 -2.6569 -0.1227 -0.1196 0.0975 0.1035 0.1467 0.1467 0.3197 0.3200 0.3753 0.3753 0.4626 0.4694 1.1420 1.1526 1.6139 1.6250 1.8486 1.8487 1.8982 1.8982 1.9616 1.9699 2.0200 2.0271 2.1800 2.1815 2.1975 2.1975 2.3281 2.3309 3.0743 3.0760 5.3880 5.3994 5.4142 5.4163 6.7292 6.7296 7.0499 7.0649 7.1828 7.2136 7.8780 7.8936 8.1914 8.1915 8.6166 8.6514 9.9531 9.9666 9.9694 9.9800 10.4958 10.5044 11.3082 11.3177 12.5887 12.6411 k = 0.0244 0.0141 0.2250 ( 5462 PWs) bands (ev): -3.8964 -3.8963 -3.8834 -3.8834 -2.6595 -2.6570 -0.1237 -0.1175 0.0951 0.1068 0.1477 0.1481 0.3196 0.3201 0.3756 0.3756 0.4594 0.4731 1.1390 1.1602 1.6084 1.6305 1.8487 1.8488 1.8984 1.8986 1.9584 1.9748 2.0164 2.0305 2.1791 2.1822 2.1977 2.1978 2.3271 2.3328 3.0744 3.0778 5.3691 5.3851 5.4035 5.4144 6.7194 6.7220 7.0404 7.0732 7.1646 7.2265 7.8547 7.8864 8.1750 8.1763 8.5877 8.6558 9.9530 9.9713 9.9805 10.0090 10.5209 10.5367 11.2936 11.3108 12.5576 12.6601 k = 0.0366 0.0211 0.2250 ( 5454 PWs) bands (ev): -3.8923 -3.8922 -3.8793 -3.8792 -2.6613 -2.6576 -0.1243 -0.1151 0.0932 0.1101 0.1492 0.1507 0.3193 0.3202 0.3760 0.3762 0.4565 0.4770 1.1375 1.1692 1.6029 1.6360 1.8487 1.8490 1.8988 1.8994 1.9558 1.9802 2.0130 2.0339 2.1781 2.1828 2.1980 2.1982 2.3263 2.3349 3.0751 3.0803 5.3431 5.3598 5.3848 5.4082 6.7027 6.7112 7.0278 7.0830 7.1446 7.2377 7.8209 7.8694 8.1494 8.1532 8.5525 8.6509 9.9575 9.9771 10.0022 10.0479 10.5641 10.5848 11.2745 11.2961 12.5243 12.6722 k = 0.0488 0.0282 0.2250 ( 5446 PWs) bands (ev): -3.8866 -3.8864 -3.8735 -3.8733 -2.6636 -2.6587 -0.1245 -0.1125 0.0919 0.1131 0.1511 0.1547 0.3191 0.3204 0.3767 0.3770 0.4538 0.4811 1.1376 1.1795 1.5977 1.6413 1.8486 1.8494 1.8992 1.9006 1.9541 1.9857 2.0098 2.0372 2.1770 2.1835 2.1983 2.1989 2.3257 2.3374 3.0765 3.0834 5.3090 5.3257 5.3588 5.3960 6.6795 6.6984 7.0106 7.0941 7.1233 7.2471 7.7770 7.8426 8.1169 8.1245 8.5122 8.6371 9.9642 9.9823 10.0354 10.0950 10.6222 10.6463 11.2533 11.2746 12.4891 12.6157 k = 0.0610 0.0352 0.2250 ( 5444 PWs) bands (ev): -3.8793 -3.8790 -3.8661 -3.8658 -2.6664 -2.6603 -0.1242 -0.1096 0.0911 0.1158 0.1533 0.1602 0.3188 0.3207 0.3774 0.3782 0.4513 0.4853 1.1391 1.1910 1.5926 1.6465 1.8485 1.8499 1.8995 1.9022 1.9533 1.9909 2.0074 2.0404 2.1757 2.1843 2.1987 2.1999 2.3253 2.3402 3.0785 3.0872 5.2656 5.2835 5.3270 5.3775 6.6506 6.6846 6.9882 7.0925 7.1148 7.2544 7.7239 7.8059 8.0808 8.0925 8.4677 8.6152 9.9710 9.9851 10.0790 10.1484 10.6893 10.7189 11.2333 11.2489 12.4516 12.5487 k = 0.0732 0.0422 0.2250 ( 5440 PWs) bands (ev): -3.8706 -3.8700 -3.8572 -3.8566 -2.6696 -2.6623 -0.1236 -0.1066 0.0909 0.1182 0.1559 0.1670 0.3184 0.3212 0.3783 0.3795 0.4492 0.4897 1.1422 1.2037 1.5878 1.6514 1.8482 1.8507 1.8996 1.9043 1.9534 1.9941 2.0075 2.0435 2.1743 2.1852 2.1991 2.2011 2.3250 2.3435 3.0812 3.0917 5.2124 5.2332 5.2908 5.3526 6.6168 6.6706 6.9602 7.0679 7.1293 7.2591 7.6629 7.7598 8.0440 8.0589 8.4199 8.5862 9.9762 9.9839 10.1310 10.2060 10.7560 10.7998 11.2162 11.2264 12.4097 12.4892 k = 0.0854 0.0493 0.2250 ( 5430 PWs) bands (ev): -3.8604 -3.8594 -3.8466 -3.8457 -2.6732 -2.6648 -0.1226 -0.1035 0.0912 0.1203 0.1587 0.1751 0.3180 0.3220 0.3792 0.3811 0.4473 0.4944 1.1466 1.2174 1.5833 1.6561 1.8478 1.8516 1.8997 1.9068 1.9546 1.9937 2.0116 2.0465 2.1728 2.1862 2.1995 2.2027 2.3250 2.3473 3.0847 3.0970 5.1501 5.1743 5.2509 5.3212 6.5788 6.6560 6.9270 7.0396 7.1475 7.2607 7.5959 7.7054 8.0083 8.0245 8.3695 8.5513 9.9756 9.9792 10.1894 10.2659 10.8109 10.8811 11.1996 11.2271 12.3608 12.4415 k = 0.0976 0.0563 0.2250 ( 5426 PWs) bands (ev): -3.8487 -3.8473 -3.8346 -3.8331 -2.6772 -2.6678 -0.1212 -0.1003 0.0921 0.1224 0.1617 0.1841 0.3176 0.3232 0.3801 0.3830 0.4458 0.4992 1.1524 1.2318 1.5792 1.6605 1.8473 1.8529 1.8996 1.9098 1.9567 1.9915 2.0181 2.0495 2.1711 2.1874 2.1999 2.2046 2.3252 2.3515 3.0888 3.1030 5.0797 5.1071 5.2078 5.2836 6.5374 6.6401 6.8896 7.0094 7.1674 7.2584 7.5249 7.6452 7.9744 7.9902 8.3172 8.5116 9.9619 9.9751 10.2520 10.3259 10.8414 10.9424 11.2076 11.2570 12.3050 12.4060 k = 0.1098 0.0634 0.2250 ( 5418 PWs) bands (ev): -3.8358 -3.8338 -3.8210 -3.8190 -2.6816 -2.6712 -0.1195 -0.0970 0.0935 0.1245 0.1648 0.1938 0.3171 0.3250 0.3810 0.3851 0.4447 0.5043 1.1594 1.2468 1.5756 1.6647 1.8466 1.8544 1.8994 1.9132 1.9598 1.9890 2.0255 2.0523 2.1693 2.1888 2.2004 2.2070 2.3257 2.3563 3.0938 3.1099 5.0022 5.0322 5.1613 5.2399 6.4933 6.6205 6.8502 6.9779 7.1881 7.2508 7.4521 7.5826 7.9418 7.9562 8.2635 8.4683 9.9396 9.9645 10.3168 10.3842 10.8425 10.9599 11.2647 11.3184 12.2459 12.3788 k = 0.1220 0.0704 0.2250 ( 5414 PWs) bands (ev): -3.8215 -3.8189 -3.8058 -3.8032 -2.6864 -2.6750 -0.1175 -0.0938 0.0953 0.1267 0.1682 0.2039 0.3167 0.3274 0.3818 0.3875 0.4441 0.5097 1.1675 1.2622 1.5726 1.6685 1.8456 1.8561 1.8992 1.9169 1.9636 1.9868 2.0332 2.0551 2.1673 2.1904 2.2009 2.2098 2.3264 2.3618 3.0996 3.1176 4.9184 4.9505 5.1112 5.1902 6.4469 6.5937 6.8124 6.9455 7.2086 7.2352 7.3803 7.5220 7.9093 7.9232 8.2089 8.4222 9.9092 9.9459 10.3816 10.4389 10.8200 10.9412 11.3613 11.4053 12.1857 12.3538 k = 0.1341 0.0774 0.2250 ( 5426 PWs) bands (ev): -3.8060 -3.8028 -3.7892 -3.7859 -2.6916 -2.6792 -0.1153 -0.0905 0.0976 0.1290 0.1716 0.2140 0.3163 0.3306 0.3826 0.3901 0.4440 0.5154 1.1767 1.2775 1.5703 1.6719 1.8445 1.8581 1.8991 1.9209 1.9675 1.9858 2.0411 2.0580 2.1653 2.1922 2.2014 2.2132 2.3274 2.3679 3.1063 3.1263 4.8293 4.8632 5.0575 5.1349 6.3986 6.5559 6.7801 6.9126 7.2061 7.2273 7.3143 7.4687 7.8753 7.8916 8.1537 8.3742 9.8711 9.9189 10.4430 10.4888 10.7843 10.9061 11.4739 11.5102 12.1255 12.3233 k = 0.1463 0.0845 0.2250 ( 5424 PWs) bands (ev): -3.7893 -3.7854 -3.7712 -3.7671 -2.6970 -2.6838 -0.1128 -0.0873 0.1004 0.1316 0.1752 0.2238 0.3160 0.3350 0.3833 0.3928 0.4445 0.5215 1.1867 1.2926 1.5689 1.6750 1.8433 1.8603 1.8992 1.9252 1.9701 1.9874 2.0487 2.0612 2.1633 2.1942 2.2020 2.2170 2.3289 2.3748 3.1138 3.1359 4.7358 4.7713 5.0001 5.0741 6.3488 6.5052 6.7553 6.8797 7.1589 7.2307 7.2690 7.4277 7.8392 7.8612 8.0983 8.3247 9.8263 9.8835 10.4914 10.5366 10.7452 10.8649 11.5889 11.6290 12.0659 12.2815 k = 0.1585 0.0915 0.2250 ( 5436 PWs) bands (ev): -3.7715 -3.7670 -3.7517 -3.7469 -2.7028 -2.6887 -0.1100 -0.0841 0.1035 0.1343 0.1790 0.2329 0.3157 0.3406 0.3839 0.3958 0.4457 0.5280 1.1975 1.3070 1.5685 1.6777 1.8419 1.8626 1.8995 1.9297 1.9705 1.9924 2.0554 2.0653 2.1612 2.1964 2.2026 2.2213 2.3309 2.3824 3.1223 3.1465 4.6389 4.6760 4.9388 5.0083 6.2977 6.4429 6.7365 6.8474 7.0955 7.1903 7.2696 7.4019 7.8012 7.8312 8.0428 8.2742 9.7762 9.8407 10.5089 10.5895 10.7113 10.8259 11.7011 11.7558 12.0072 12.2292 k = 0.1707 0.0986 0.2250 ( 5434 PWs) bands (ev): -3.7527 -3.7476 -3.7308 -3.7253 -2.7089 -2.6940 -0.1071 -0.0810 0.1069 0.1373 0.1828 0.2409 0.3155 0.3476 0.3844 0.3989 0.4477 0.5348 1.2090 1.3205 1.5692 1.6799 1.8405 1.8651 1.9003 1.9344 1.9697 2.0000 2.0604 2.0709 2.1593 2.1988 2.2033 2.2261 2.3336 2.3910 3.1317 3.1582 4.5396 4.5783 4.8737 4.9377 6.2453 6.3724 6.7204 6.8168 7.0245 7.1394 7.2760 7.3902 7.7615 7.8011 7.9874 8.2227 9.7223 9.7917 10.4906 10.6442 10.6805 10.8033 11.8074 11.8838 11.9512 12.1721 k = 0.1829 0.1056 0.2250 ( 5432 PWs) bands (ev): -3.7329 -3.7273 -3.7086 -3.7024 -2.7153 -2.6997 -0.1040 -0.0780 0.1106 0.1405 0.1868 0.2476 0.3154 0.3558 0.3850 0.4022 0.4506 0.5422 1.2208 1.3326 1.5712 1.6818 1.8390 1.8676 1.9015 1.9392 1.9686 2.0089 2.0639 2.0779 2.1576 2.2014 2.2042 2.2312 2.3370 2.4004 3.1419 3.1708 4.4386 4.4793 4.8049 4.8628 6.1915 6.2964 6.7037 6.7889 6.9517 7.0871 7.2776 7.3882 7.7199 7.7709 7.9321 8.1703 9.6663 9.7381 10.4478 10.6363 10.6984 10.8079 11.8768 11.9167 12.0129 12.1195 k = 0.1951 0.1127 0.2250 ( 5432 PWs) bands (ev): -3.7123 -3.7062 -3.6852 -3.6783 -2.7219 -2.7056 -0.1007 -0.0751 0.1145 0.1439 0.1910 0.2531 0.3153 0.3649 0.3856 0.4056 0.4546 0.5500 1.2330 1.3431 1.5745 1.6831 1.8375 1.8700 1.9033 1.9442 1.9677 2.0185 2.0666 2.0853 2.1563 2.2039 2.2055 2.2366 2.3416 2.4109 3.1531 3.1843 4.3371 4.3798 4.7324 4.7841 6.1362 6.2177 6.6836 6.7649 6.8799 7.0353 7.2747 7.3900 7.6766 7.7410 7.8769 8.1169 9.6102 9.6815 10.3935 10.5821 10.7472 10.8306 11.8296 11.9587 12.0998 12.1353 k = 0.2073 0.1197 0.2250 ( 5432 PWs) bands (ev): -3.6908 -3.6843 -3.6607 -3.6532 -2.7287 -2.7118 -0.0974 -0.0723 0.1187 0.1474 0.1953 0.2575 0.3154 0.3740 0.3867 0.4091 0.4599 0.5583 1.2454 1.3517 1.5791 1.6840 1.8362 1.8722 1.9058 1.9491 1.9675 2.0284 2.0689 2.0926 2.1555 2.2054 2.2082 2.2419 2.3474 2.4224 3.1649 3.1986 4.2358 4.2809 4.6565 4.7022 6.0787 6.1381 6.6592 6.7446 6.8109 6.9846 7.2691 7.3900 7.6317 7.7124 7.8220 8.0622 9.5556 9.6238 10.3352 10.5229 10.7915 10.8610 11.7745 11.9303 12.1528 12.2437 k = 0.2195 0.1267 0.2250 ( 5428 PWs) bands (ev): -3.6687 -3.6618 -3.6351 -3.6270 -2.7358 -2.7184 -0.0938 -0.0695 0.1231 0.1510 0.2000 0.2608 0.3156 0.3814 0.3896 0.4127 0.4667 0.5671 1.2577 1.3583 1.5849 1.6843 1.8351 1.8742 1.9088 1.9538 1.9682 2.0381 2.0711 2.0993 2.1556 2.2066 2.2118 2.2472 2.3547 2.4351 3.1772 3.2135 4.1358 4.1837 4.5774 4.6178 6.0178 6.0602 6.6314 6.7250 6.7473 6.9355 7.2616 7.3834 7.5855 7.6859 7.7678 8.0062 9.5040 9.5666 10.2766 10.4626 10.8309 10.8940 11.7197 11.8742 12.2216 12.3378 k = 0.2317 0.1338 0.2250 ( 5428 PWs) bands (ev): -3.6461 -3.6388 -3.6085 -3.5999 -2.7431 -2.7252 -0.0902 -0.0669 0.1275 0.1546 0.2050 0.2634 0.3159 0.3849 0.3960 0.4165 0.4751 0.5763 1.2699 1.3631 1.5918 1.6841 1.8342 1.8760 1.9122 1.9578 1.9705 2.0471 2.0731 2.1053 2.1567 2.2077 2.2158 2.2521 2.3639 2.4488 3.1897 3.2285 4.0383 4.0890 4.4957 4.5315 5.9511 5.9870 6.6013 6.6807 6.7137 6.8882 7.2523 7.3666 7.5383 7.6609 7.7169 7.9490 9.4570 9.5115 10.2195 10.4033 10.8654 10.9275 11.6661 11.8135 12.2816 12.4124 k = 0.2439 0.1408 0.2250 ( 5436 PWs) bands (ev): -3.6229 -3.6154 -3.5812 -3.5720 -2.7507 -2.7322 -0.0866 -0.0644 0.1321 0.1581 0.2104 0.2655 0.3163 0.3868 0.4032 0.4204 0.4851 0.5860 1.2818 1.3660 1.5994 1.6832 1.8336 1.8775 1.9159 1.9611 1.9746 2.0552 2.0751 2.1101 2.1592 2.2088 2.2205 2.2566 2.3751 2.4635 3.2017 3.2427 3.9446 3.9982 4.4119 4.4441 5.8784 5.9197 6.5697 6.6256 6.6956 6.8428 7.2404 7.3376 7.4907 7.6288 7.6783 7.8910 9.4152 9.4601 10.1653 10.3462 10.8957 10.9601 11.6139 11.7529 12.3267 12.4682 k = 0.2561 0.1479 0.2250 ( 5440 PWs) bands (ev): -3.5994 -3.5917 -3.5532 -3.5434 -2.7584 -2.7395 -0.0828 -0.0620 0.1367 0.1615 0.2161 0.2671 0.3168 0.3887 0.4096 0.4245 0.4966 0.5960 1.2933 1.3673 1.6076 1.6818 1.8334 1.8788 1.9194 1.9644 1.9800 2.0620 2.0773 2.1137 2.1629 2.2100 2.2257 2.2605 2.3884 2.4792 3.2124 3.2549 3.8567 3.9125 4.3267 4.3565 5.8033 5.8552 6.5365 6.5756 6.6773 6.7992 7.2242 7.2965 7.4435 7.5818 7.6593 7.8329 9.3793 9.4139 10.1145 10.2924 10.9223 10.9908 11.5637 11.6941 12.3559 12.5111 k = 0.2683 0.1549 0.2250 ( 5456 PWs) bands (ev): -3.5757 -3.5678 -3.5246 -3.5143 -2.7663 -2.7471 -0.0791 -0.0597 0.1413 0.1647 0.2222 0.2684 0.3175 0.3911 0.4149 0.4289 0.5090 0.6063 1.3043 1.3672 1.6159 1.6797 1.8335 1.8800 1.9225 1.9682 1.9863 2.0671 2.0800 2.1162 2.1674 2.2112 2.2315 2.2640 2.4037 2.4957 3.2203 3.2630 3.7771 3.8337 4.2411 4.2693 5.7285 5.7913 6.5009 6.5324 6.6579 6.7575 7.2008 7.2448 7.3983 7.5292 7.6497 7.7760 9.3488 9.3742 10.0676 10.2423 10.9458 11.0193 11.5158 11.6379 12.3715 12.5470 k = 0.2805 0.1619 0.2250 ( 5440 PWs) bands (ev): -3.5519 -3.5439 -3.4955 -3.4847 -2.7745 -2.7549 -0.0754 -0.0574 0.1459 0.1677 0.2285 0.2697 0.3183 0.3942 0.4192 0.4336 0.5221 0.6168 1.3145 1.3660 1.6241 1.6772 1.8341 1.8812 1.9247 1.9731 1.9929 2.0703 2.0836 2.1177 2.1725 2.2124 2.2377 2.2670 2.4210 2.5127 3.2235 3.2634 3.7094 3.7638 4.1563 4.1838 5.6554 5.7275 6.4633 6.4954 6.6371 6.7178 7.1652 7.1854 7.3578 7.4765 7.6429 7.7214 9.3220 9.3433 10.0251 10.1962 10.9665 11.0452 11.4708 11.5850 12.3770 12.5782 k = 0.2927 0.1690 0.2250 ( 5442 PWs) bands (ev): -3.5281 -3.5200 -3.4662 -3.4549 -2.7828 -2.7630 -0.0717 -0.0553 0.1505 0.1705 0.2348 0.2711 0.3193 0.3981 0.4228 0.4384 0.5352 0.6274 1.3239 1.3640 1.6316 1.6746 1.8351 1.8824 1.9260 1.9791 1.9998 2.0717 2.0879 2.1188 2.1776 2.2134 2.2443 2.2697 2.4398 2.5301 3.2193 3.2521 3.6578 3.7050 4.0741 4.1009 5.5846 5.6638 6.4258 6.4619 6.6148 6.6803 7.1098 7.1245 7.3243 7.4260 7.6363 7.6701 9.2975 9.3222 9.9871 10.1546 10.9844 11.0684 11.4291 11.5361 12.3756 12.6056 k = 0.3049 0.1760 0.2250 ( 5442 PWs) bands (ev): -3.5044 -3.4963 -3.4367 -3.4250 -2.7913 -2.7713 -0.0680 -0.0533 0.1549 0.1729 0.2408 0.2727 0.3207 0.4031 0.4259 0.4435 0.5481 0.6379 1.3320 1.3616 1.6377 1.6725 1.8365 1.8838 1.9263 1.9863 2.0068 2.0720 2.0926 2.1196 2.1826 2.2144 2.2509 2.2721 2.4598 2.5473 3.2053 3.2261 3.6244 3.6584 3.9969 4.0225 5.5166 5.6007 6.3898 6.4295 6.5911 6.6451 7.0383 7.0599 7.2978 7.3787 7.6231 7.6287 9.2765 9.3089 9.9539 10.1174 10.9994 11.0885 11.3913 11.4921 12.3691 12.6288 k = 0.3171 0.1831 0.2250 ( 5442 PWs) bands (ev): -3.4810 -3.4730 -3.4073 -3.3951 -2.8000 -2.7798 -0.0645 -0.0513 0.1593 0.1752 0.2461 0.2748 0.3226 0.4090 0.4287 0.4488 0.5603 0.6481 1.3381 1.3598 1.6411 1.6722 1.8382 1.8853 1.9256 1.9944 2.0136 2.0713 2.0975 2.1204 2.1873 2.2151 2.2573 2.2744 2.4803 2.5640 3.1806 3.1864 3.6059 3.6232 3.9287 3.9511 5.4517 5.5387 6.3553 6.3969 6.5660 6.6124 6.9606 6.9868 7.2759 7.3352 7.5809 7.6195 9.2601 9.3009 9.9256 10.0847 11.0113 11.1050 11.3583 11.4541 12.3586 12.6447 k = 0.3293 0.1901 0.2250 ( 5442 PWs) bands (ev): -3.4581 -3.4502 -3.3780 -3.3653 -2.8089 -2.7886 -0.0612 -0.0495 0.1635 0.1772 0.2502 0.2772 0.3252 0.4159 0.4315 0.4545 0.5717 0.6579 1.3407 1.3600 1.6409 1.6747 1.8403 1.8871 1.9241 2.0033 2.0202 2.0696 2.1027 2.1215 2.1918 2.2155 2.2634 2.2767 2.5005 2.5796 3.1377 3.1464 3.5861 3.6017 3.8747 3.8916 5.3903 5.4783 6.3216 6.3629 6.5397 6.5824 6.8788 6.9090 7.2561 7.2956 7.5437 7.6085 9.2484 9.2965 9.9024 10.0564 11.0193 11.1171 11.3308 11.4238 12.3449 12.6345 k = 0.3415 0.1971 0.2250 ( 5450 PWs) bands (ev): -3.4357 -3.4280 -3.3490 -3.3360 -2.8180 -2.7977 -0.0580 -0.0477 0.1675 0.1791 0.2532 0.2798 0.3289 0.4230 0.4351 0.4606 0.5820 0.6671 1.3393 1.3629 1.6376 1.6794 1.8427 1.8892 1.9220 2.0126 2.0266 2.0671 2.1081 2.1232 2.1961 2.2157 2.2688 2.2792 2.5196 2.5936 3.0851 3.1056 3.5520 3.5878 3.8400 3.8522 5.3329 5.4202 6.2872 6.3268 6.5128 6.5545 6.7941 6.8316 7.2367 7.2599 7.5115 7.5958 9.2409 9.2945 9.8842 10.0325 11.0229 11.1236 11.3102 11.4027 12.3284 12.6044 k = 0.3537 0.2042 0.2250 ( 5454 PWs) bands (ev): -3.4141 -3.4066 -3.3206 -3.3071 -2.8273 -2.8069 -0.0551 -0.0460 0.1712 0.1808 0.2551 0.2819 0.3337 0.4281 0.4417 0.4673 0.5911 0.6754 1.3358 1.3666 1.6328 1.6849 1.8454 1.8917 1.9194 2.0217 2.0329 2.0641 2.1136 2.1256 2.2003 2.2154 2.2733 2.2822 2.5363 2.6050 3.0325 3.0617 3.5083 3.5633 3.8250 3.8401 5.2797 5.3651 6.2492 6.2881 6.4859 6.5278 6.7089 6.7583 7.2158 7.2292 7.4843 7.5817 9.2367 9.2938 9.8711 10.0127 11.0217 11.1229 11.2978 11.3918 12.3094 12.5723 k = 0.3659 0.2112 0.2250 ( 5454 PWs) bands (ev): -3.3934 -3.3862 -3.2927 -3.2790 -2.8367 -2.8165 -0.0523 -0.0444 0.1747 0.1824 0.2564 0.2834 0.3396 0.4305 0.4520 0.4746 0.5987 0.6825 1.3314 1.3698 1.6275 1.6903 1.8484 1.8944 1.9166 2.0288 2.0399 2.0616 2.1186 2.1294 2.2044 2.2148 2.2766 2.2861 2.5497 2.6133 2.9824 3.0176 3.4582 3.5268 3.8300 3.8499 5.2315 5.3138 6.2042 6.2466 6.4597 6.5013 6.6283 6.6917 7.1914 7.2050 7.4617 7.5665 9.2352 9.2936 9.8627 9.9967 11.0161 11.1146 11.2950 11.3910 12.2884 12.5407 k = 0.3780 0.2183 0.2250 ( 5450 PWs) bands (ev): -3.3737 -3.3668 -3.2657 -3.2517 -2.8462 -2.8263 -0.0498 -0.0429 0.1780 0.1839 0.2572 0.2839 0.3464 0.4314 0.4646 0.4828 0.6049 0.6883 1.3268 1.3720 1.6224 1.6949 1.8517 1.8974 1.9139 2.0313 2.0478 2.0622 2.1227 2.1348 2.2085 2.2137 2.2787 2.2908 2.5583 2.6175 2.9364 2.9754 3.4070 3.4843 3.8497 3.8728 5.1889 5.2669 6.1499 6.2004 6.4341 6.4728 6.5594 6.6334 7.1663 7.1846 7.4433 7.5505 9.2355 9.2934 9.8588 9.9841 11.0070 11.0999 11.3013 11.3986 12.2659 12.5098 k = 0.3902 0.2253 0.2250 ( 5464 PWs) bands (ev): -3.3551 -3.3487 -3.2397 -3.2255 -2.8559 -2.8362 -0.0476 -0.0415 0.1809 0.1853 0.2578 0.2836 0.3536 0.4316 0.4785 0.4919 0.6096 0.6925 1.3225 1.3727 1.6181 1.6984 1.8553 1.8999 1.9120 2.0284 2.0549 2.0685 2.1258 2.1418 2.2116 2.2133 2.2801 2.2961 2.5611 2.6171 2.8949 2.9369 3.3590 3.4415 3.8781 3.9032 5.1525 5.2255 6.0867 6.1457 6.4080 6.4410 6.5097 6.5840 7.1433 7.1655 7.4286 7.5340 9.2371 9.2928 9.8589 9.9745 10.9959 11.0811 11.3151 11.4128 12.2425 12.4793 k = 0.4024 0.2323 0.2250 ( 5464 PWs) bands (ev): -3.3380 -3.3321 -3.2148 -3.2006 -2.8656 -2.8464 -0.0456 -0.0402 0.1835 0.1866 0.2582 0.2827 0.3611 0.4312 0.4929 0.5027 0.6127 0.6948 1.3186 1.3719 1.6150 1.7002 1.8591 1.9010 1.9122 2.0221 2.0613 2.0789 2.1284 2.1499 2.2098 2.2172 2.2809 2.3022 2.5574 2.6115 2.8584 2.9030 3.3173 3.4020 3.9111 3.9371 5.1231 5.1902 6.0167 6.0803 6.3803 6.4114 6.4780 6.5431 7.1230 7.1473 7.4173 7.5175 9.2394 9.2914 9.8624 9.9673 10.9839 11.0606 11.3345 11.4316 12.2190 12.4486 k = 0.4146 0.2394 0.2250 ( 5460 PWs) bands (ev): -3.3223 -3.3170 -3.1913 -3.1772 -2.8752 -2.8567 -0.0438 -0.0391 0.1859 0.1879 0.2587 0.2813 0.3685 0.4303 0.5062 0.5162 0.6141 0.6951 1.3155 1.3694 1.6137 1.7002 1.8631 1.9001 1.9151 2.0140 2.0678 2.0906 2.1307 2.1588 2.2072 2.2215 2.2815 2.3091 2.5472 2.6004 2.8270 2.8736 3.2838 3.3672 3.9459 3.9718 5.1014 5.1620 5.9425 6.0056 6.3543 6.3882 6.4562 6.5099 7.1056 7.1302 7.4089 7.5012 9.2423 9.2894 9.8685 9.9619 10.9723 11.0400 11.3581 11.4532 12.1964 12.4168 k = 0.4268 0.2464 0.2250 ( 5462 PWs) bands (ev): -3.3083 -3.3036 -3.1693 -3.1556 -2.8846 -2.8671 -0.0422 -0.0382 0.1878 0.1891 0.2593 0.2795 0.3756 0.4288 0.5180 0.5325 0.6140 0.6933 1.3133 1.3653 1.6143 1.6982 1.8672 1.8984 1.9194 2.0051 2.0747 2.1021 2.1330 2.1683 2.2040 2.2257 2.2824 2.3171 2.5313 2.5837 2.8010 2.8481 3.2591 3.3378 3.9801 4.0050 5.0881 5.1414 5.8669 5.9256 6.3337 6.3692 6.4398 6.4831 7.0910 7.1145 7.4031 7.4854 9.2453 9.2867 9.8766 9.9578 10.9618 11.0203 11.3844 11.4759 12.1758 12.3833 k = 0.4390 0.2535 0.2250 ( 5470 PWs) bands (ev): -3.2961 -3.2920 -3.1492 -3.1362 -2.8935 -2.8773 -0.0408 -0.0374 0.1895 0.1902 0.2600 0.2775 0.3823 0.4268 0.5294 0.5502 0.6122 0.6892 1.3122 1.3599 1.6169 1.6942 1.8714 1.8966 1.9244 1.9959 2.0820 2.1122 2.1359 2.1784 2.2003 2.2295 2.2843 2.3262 2.5113 2.5623 2.7808 2.8257 3.2430 3.3135 4.0123 4.0350 5.0834 5.1288 5.7929 5.8450 6.3189 6.3530 6.4272 6.4615 7.0791 7.1004 7.3997 7.4704 9.2484 9.2835 9.8858 9.9543 10.9531 11.0021 11.4125 11.4978 12.1585 12.3479 k = 0.4512 0.2605 0.2250 ( 5470 PWs) bands (ev): -3.2858 -3.2825 -3.1311 -3.1194 -2.9015 -2.8871 -0.0396 -0.0368 0.1909 0.1912 0.2608 0.2753 0.3887 0.4243 0.5406 0.5682 0.6090 0.6829 1.3124 1.3535 1.6213 1.6882 1.8754 1.8950 1.9298 1.9868 2.0894 2.1189 2.1408 2.1886 2.1962 2.2322 2.2886 2.3362 2.4887 2.5375 2.7663 2.8060 3.2343 3.2938 4.0408 4.0604 5.0868 5.1239 5.7237 5.7677 6.3089 6.3389 6.4179 6.4443 7.0701 7.0882 7.3985 7.4564 9.2516 9.2800 9.8957 9.9510 10.9465 10.9859 11.4411 11.5170 12.1462 12.3109 k = 0.4634 0.2676 0.2250 ( 5464 PWs) bands (ev): -3.2775 -3.2750 -3.1156 -3.1057 -2.9082 -2.8963 -0.0386 -0.0365 0.1919 0.1921 0.2619 0.2730 0.3946 0.4214 0.5517 0.5863 0.6042 0.6743 1.3139 1.3465 1.6275 1.6808 1.8792 1.8934 1.9355 1.9781 2.0966 2.1214 2.1481 2.1905 2.1997 2.2332 2.2966 2.3464 2.4659 2.5114 2.7570 2.7890 3.2315 3.2778 4.0646 4.0802 5.0968 5.1253 5.6629 5.6977 6.3030 6.3269 6.4114 6.4308 7.0637 7.0779 7.3995 7.4436 9.2548 9.2762 9.9055 9.9473 10.9422 10.9719 11.4688 11.5315 12.1406 12.2732 k = 0.4756 0.2746 0.2250 ( 5468 PWs) bands (ev): -3.2715 -3.2698 -3.1032 -3.0959 -2.9129 -2.9043 -0.0378 -0.0363 0.1926 0.1927 0.2633 0.2708 0.4002 0.4180 0.5624 0.5981 0.6040 0.6636 1.3168 1.3393 1.6352 1.6721 1.8826 1.8919 1.9415 1.9697 2.1034 2.1208 2.1564 2.1851 2.2090 2.2320 2.3090 2.3540 2.4468 2.4859 2.7525 2.7748 3.2331 3.2647 4.0829 4.0937 5.1107 5.1301 5.6150 5.6396 6.3003 6.3169 6.4078 6.4205 7.0599 7.0697 7.4024 7.4321 9.2581 9.2724 9.9149 9.9429 10.9405 10.9604 11.4941 11.5393 12.1433 12.2367 k = 0.4878 0.2816 0.2250 ( 5468 PWs) bands (ev): -3.2676 -3.2668 -3.0944 -3.0905 -2.9150 -2.9104 -0.0371 -0.0364 0.1930 0.1931 0.2648 0.2686 0.4052 0.4142 0.5727 0.5906 0.6208 0.6509 1.3209 1.3325 1.6439 1.6628 1.8855 1.8901 1.9479 1.9619 2.1094 2.1184 2.1645 2.1789 2.2171 2.2288 2.3250 2.3533 2.4388 2.4631 2.7524 2.7638 3.2379 3.2539 4.0952 4.1008 5.1242 5.1341 5.5856 5.5984 6.3007 6.3091 6.4069 6.4132 7.0587 7.0637 7.4072 7.4222 9.2615 9.2687 9.9235 9.9375 10.9415 10.9514 11.5154 11.5391 12.1550 12.2033 k = 0.5000 0.2887 0.2250 ( 5472 PWs) bands (ev): -3.2660 -3.2660 -3.0900 -3.0900 -2.9142 -2.9142 -0.0367 -0.0367 0.1932 0.1932 0.2666 0.2666 0.4099 0.4099 0.5821 0.5821 0.6366 0.6366 1.3262 1.3262 1.6532 1.6532 1.8880 1.8880 1.9547 1.9547 2.1145 2.1145 2.1721 2.1721 2.2237 2.2237 2.3417 2.3417 2.4457 2.4457 2.7562 2.7562 3.2449 3.2449 4.1012 4.1012 5.1327 5.1327 5.5795 5.5795 6.3037 6.3037 6.4087 6.4087 7.0600 7.0600 7.4138 7.4138 9.2650 9.2650 9.9311 9.9311 10.9451 10.9451 11.5309 11.5309 12.1754 12.1754 k = 0.5000 0.2887 0.2250 ( 5472 PWs) bands (ev): -3.2660 -3.2660 -3.0900 -3.0900 -2.9142 -2.9142 -0.0367 -0.0367 0.1932 0.1932 0.2666 0.2666 0.4099 0.4099 0.5821 0.5821 0.6366 0.6366 1.3262 1.3262 1.6532 1.6532 1.8880 1.8880 1.9547 1.9547 2.1145 2.1145 2.1721 2.1721 2.2237 2.2237 2.3417 2.3417 2.4457 2.4457 2.7562 2.7562 3.2449 3.2449 4.1012 4.1012 5.1327 5.1327 5.5795 5.5795 6.3037 6.3037 6.4087 6.4087 7.0600 7.0600 7.4138 7.4138 9.2650 9.2650 9.9311 9.9311 10.9451 10.9451 11.5309 11.5309 12.1754 12.1754 k = 0.4931 0.3007 0.2250 ( 5480 PWs) bands (ev): -3.2658 -3.2653 -3.0900 -3.0897 -2.9143 -2.9142 -0.0368 -0.0365 0.1923 0.1947 0.2663 0.2673 0.4082 0.4116 0.5780 0.5858 0.6363 0.6370 1.3211 1.3318 1.6445 1.6619 1.8879 1.8881 1.9525 1.9576 2.1105 2.1178 2.1658 2.1774 2.2176 2.2296 2.3371 2.3472 2.4442 2.4476 2.7526 2.7607 3.2402 3.2521 4.0993 4.1028 5.1321 5.1338 5.5795 5.5806 6.2906 6.2915 6.3906 6.3963 7.0686 7.0728 7.4208 7.4281 9.2627 9.2648 9.9270 9.9331 10.9445 10.9653 11.5192 11.5220 12.1693 12.1965 k = 0.4861 0.3127 0.2250 ( 5472 PWs) bands (ev): -3.2646 -3.2635 -3.0896 -3.0889 -2.9146 -2.9143 -0.0369 -0.0364 0.1920 0.1968 0.2664 0.2682 0.4063 0.4130 0.5736 0.5890 0.6363 0.6375 1.3165 1.3379 1.6358 1.6706 1.8877 1.8884 1.9514 1.9611 2.1058 2.1207 2.1590 2.1815 2.2115 2.2349 2.3335 2.3536 2.4431 2.4498 2.7500 2.7660 3.2378 3.2614 4.0970 4.1039 5.1318 5.1352 5.5804 5.5828 6.2545 6.2564 6.3454 6.3563 7.0951 7.1028 7.4476 7.4612 9.2589 9.2629 9.9214 9.9330 10.9624 11.0041 11.4889 11.4952 12.1766 12.2308 k = 0.4792 0.3248 0.2250 ( 5460 PWs) bands (ev): -3.2623 -3.2607 -3.0887 -3.0877 -2.9151 -2.9146 -0.0369 -0.0363 0.1924 0.1994 0.2670 0.2694 0.4043 0.4143 0.5690 0.5915 0.6365 0.6381 1.3125 1.3443 1.6274 1.6792 1.8870 1.8891 1.9514 1.9649 2.1001 2.1230 2.1521 2.1838 2.2060 2.2391 2.3312 2.3605 2.4425 2.4523 2.7484 2.7720 3.2379 3.2728 4.0942 4.1045 5.1319 5.1368 5.5823 5.5858 6.2006 6.2037 6.2806 6.2959 7.1312 7.1412 7.4896 7.5076 9.2561 9.2616 9.9153 9.9313 10.9961 11.0585 11.4459 11.4566 12.1938 12.2746 k = 0.4722 0.3368 0.2250 ( 5460 PWs) bands (ev): -3.2590 -3.2569 -3.0875 -3.0861 -2.9157 -2.9150 -0.0370 -0.0363 0.1935 0.2024 0.2681 0.2708 0.4022 0.4154 0.5643 0.5934 0.6370 0.6388 1.3090 1.3509 1.6192 1.6878 1.8858 1.8902 1.9527 1.9689 2.0933 2.1248 2.1456 2.1841 2.2016 2.2423 2.3301 2.3679 2.4423 2.4549 2.7479 2.7787 3.2405 3.2861 4.0907 4.1042 5.1321 5.1384 5.5850 5.5896 6.1349 6.1395 6.2033 6.2221 7.1685 7.1791 7.5407 7.5612 9.2579 9.2644 9.9098 9.9288 11.0401 11.1227 11.3990 11.4140 12.2170 12.3246 k = 0.4653 0.3488 0.2250 ( 5456 PWs) bands (ev): -3.2548 -3.2521 -3.0860 -3.0842 -2.9165 -2.9156 -0.0370 -0.0363 0.1954 0.2058 0.2698 0.2723 0.4000 0.4164 0.5594 0.5945 0.6379 0.6394 1.3062 1.3575 1.6116 1.6962 1.8840 1.8918 1.9553 1.9730 2.0853 2.1259 2.1398 2.1825 2.1983 2.2442 2.3304 2.3756 2.4424 2.4576 2.7487 2.7859 3.2455 3.3010 4.0863 4.1029 5.1324 5.1399 5.5881 5.5939 6.0629 6.0692 6.1193 6.1409 7.1998 7.2094 7.5955 7.6165 9.2680 9.2749 9.9062 9.9268 11.0855 11.1809 11.3658 11.3781 12.2434 12.3781 k = 0.4583 0.3608 0.2250 ( 5448 PWs) bands (ev): -3.2497 -3.2464 -3.0841 -3.0820 -2.9174 -2.9163 -0.0370 -0.0364 0.1979 0.2095 0.2722 0.2740 0.3977 0.4171 0.5546 0.5950 0.6390 0.6401 1.3039 1.3641 1.6047 1.7044 1.8819 1.8941 1.9591 1.9770 2.0762 2.1261 2.1346 2.1802 2.1957 2.2450 2.3317 2.3833 2.4428 2.4602 2.7507 2.7936 3.2528 3.3173 4.0806 4.1000 5.1326 5.1408 5.5915 5.5981 5.9883 5.9963 6.0333 6.0573 7.2203 7.2274 7.6494 7.6690 9.2898 9.2967 9.9058 9.9267 11.1159 11.1940 11.3657 11.3861 12.2711 12.4335 k = 0.4514 0.3729 0.2250 ( 5446 PWs) bands (ev): -3.2436 -3.2398 -3.0820 -3.0795 -2.9185 -2.9172 -0.0370 -0.0366 0.2011 0.2133 0.2753 0.2758 0.3954 0.4175 0.5499 0.5947 0.6404 0.6408 1.3022 1.3703 1.5989 1.7126 1.8793 1.8969 1.9638 1.9807 2.0664 2.1252 2.1301 2.1780 2.1930 2.2451 2.3338 2.3906 2.4436 2.4626 2.7540 2.8016 3.2624 3.3348 4.0732 4.0952 5.1324 5.1410 5.5944 5.6016 5.9127 5.9224 5.9504 5.9764 7.2267 7.2301 7.6984 7.7153 9.3255 9.3320 9.9100 9.9301 11.1151 11.1597 11.3925 11.4618 12.2993 12.4898 k = 0.4444 0.3849 0.2250 ( 5442 PWs) bands (ev): -3.2367 -3.2323 -3.0796 -3.0768 -2.9198 -2.9183 -0.0370 -0.0368 0.2050 0.2173 0.2776 0.2791 0.3930 0.4178 0.5453 0.5939 0.6414 0.6420 1.3011 1.3759 1.5944 1.7207 1.8766 1.9002 1.9694 1.9840 2.0561 2.1231 2.1261 2.1769 2.1900 2.2448 2.3364 2.3972 2.4448 2.4647 2.7586 2.8101 3.2739 3.3531 4.0637 4.0879 5.1316 5.1400 5.5959 5.6029 5.8354 5.8470 5.8774 5.9042 7.2166 7.2177 7.7396 7.7526 9.3759 9.3818 9.9203 9.9385 11.0895 11.1123 11.4515 11.5577 12.3270 12.5460 k = 0.4375 0.3969 0.2250 ( 5442 PWs) bands (ev): -3.2290 -3.2240 -3.0772 -3.0740 -2.9212 -2.9195 -0.0372 -0.0371 0.2095 0.2215 0.2796 0.2837 0.3907 0.4178 0.5409 0.5925 0.6421 0.6436 1.3005 1.3804 1.5917 1.7286 1.8737 1.9040 1.9757 1.9865 2.0460 2.1198 2.1224 2.1768 2.1867 2.2445 2.3391 2.4026 2.4464 2.4664 2.7647 2.8188 3.2872 3.3719 4.0516 4.0775 5.1302 5.1376 5.5941 5.5990 5.7591 5.7718 5.8179 5.8447 7.1876 7.1935 7.7708 7.7792 9.4403 9.4458 9.9379 9.9534 11.0545 11.0642 11.5262 11.6601 12.3537 12.6011 k = 0.4306 0.4090 0.2250 ( 5442 PWs) bands (ev): -3.2205 -3.2150 -3.0746 -3.0710 -2.9228 -2.9209 -0.0376 -0.0372 0.2144 0.2257 0.2815 0.2890 0.3883 0.4176 0.5368 0.5907 0.6428 0.6453 1.3004 1.3837 1.5912 1.7365 1.8708 1.9081 1.9823 1.9879 2.0367 2.1155 2.1190 2.1778 2.1832 2.2444 2.3417 2.4064 2.4487 2.4677 2.7720 2.8277 3.3019 3.3909 4.0364 4.0637 5.1283 5.1338 5.5826 5.5844 5.6931 5.7033 5.7725 5.7983 7.1449 7.1557 7.7905 7.7941 9.5170 9.5224 9.9635 9.9757 11.0182 11.0187 11.6074 11.7640 12.3784 12.6532 k = 0.4236 0.4210 0.2250 ( 5438 PWs) bands (ev): -3.2113 -3.2052 -3.0719 -3.0681 -2.9246 -2.9225 -0.0381 -0.0373 0.2197 0.2301 0.2835 0.2948 0.3859 0.4173 0.5329 0.5884 0.6434 0.6468 1.3007 1.3855 1.5930 1.7441 1.8678 1.9123 1.9875 1.9892 2.0291 2.1105 2.1157 2.1775 2.1818 2.2449 2.3440 2.4083 2.4515 2.4685 2.7807 2.8367 3.3179 3.4097 4.0179 4.0458 5.1263 5.1289 5.5434 5.5561 5.6487 5.6548 5.7415 5.7642 7.0910 7.1064 7.7972 7.7984 9.6036 9.6094 9.9974 10.0061 10.9769 10.9837 11.6909 11.8664 12.3999 12.6992 k = 0.4167 0.4330 0.2250 ( 5446 PWs) bands (ev): -3.2015 -3.1948 -3.0694 -3.0651 -2.9266 -2.9243 -0.0387 -0.0375 0.2253 0.2345 0.2855 0.3013 0.3836 0.4168 0.5294 0.5859 0.6440 0.6483 1.3015 1.3856 1.5975 1.7517 1.8647 1.9162 1.9849 1.9962 2.0240 2.1052 2.1125 2.1739 2.1843 2.2460 2.3459 2.4084 2.4546 2.4686 2.7907 2.8457 3.3346 3.4281 3.9958 4.0239 5.1234 5.1247 5.4872 5.5062 5.6224 5.6311 5.7237 5.7410 7.0286 7.0482 7.7891 7.7947 9.6973 9.7040 10.0393 10.0445 10.9388 10.9523 11.7743 11.9655 12.4170 12.7315 k = 0.4097 0.4450 0.2250 ( 5450 PWs) bands (ev): -3.1912 -3.1839 -3.0669 -3.0624 -2.9287 -2.9262 -0.0394 -0.0377 0.2309 0.2391 0.2874 0.3080 0.3815 0.4163 0.5264 0.5830 0.6446 0.6496 1.3027 1.3842 1.6047 1.7590 1.8615 1.9190 1.9807 2.0030 2.0215 2.0998 2.1093 2.1698 2.1881 2.2481 2.3473 2.4069 2.4574 2.4680 2.8016 2.8546 3.3520 3.4456 3.9701 3.9977 5.1180 5.1244 5.4287 5.4503 5.6036 5.6193 5.7145 5.7262 6.9602 6.9836 7.7711 7.7807 9.7951 9.8036 10.0885 10.0905 10.9044 10.9241 11.8565 12.0596 12.4280 12.7410 k = 0.4028 0.4571 0.2250 ( 5446 PWs) bands (ev): -3.1804 -3.1725 -3.0647 -3.0598 -2.9311 -2.9284 -0.0400 -0.0380 0.2365 0.2439 0.2892 0.3150 0.3796 0.4157 0.5238 0.5799 0.6451 0.6508 1.3042 1.3812 1.6143 1.7661 1.8582 1.9198 1.9767 2.0094 2.0208 2.0949 2.1062 2.1655 2.1925 2.2510 2.3483 2.4041 2.4597 2.4667 2.8135 2.8633 3.3698 3.4622 3.9409 3.9678 5.1137 5.1263 5.3748 5.3980 5.5892 5.6120 5.7094 5.7168 6.8885 6.9152 7.7453 7.7581 9.8938 9.9051 10.1434 10.1438 10.8732 10.8991 11.9366 12.1475 12.4320 12.7304 k = 0.3958 0.4691 0.2250 ( 5446 PWs) bands (ev): -3.1692 -3.1608 -3.0628 -3.0576 -2.9336 -2.9307 -0.0406 -0.0383 0.2419 0.2488 0.2909 0.3218 0.3781 0.4151 0.5218 0.5766 0.6454 0.6517 1.3060 1.3771 1.6263 1.7730 1.8546 1.9173 1.9748 2.0152 2.0210 2.0906 2.1034 2.1610 2.1974 2.2550 2.3487 2.4003 2.4611 2.4647 2.8259 2.8716 3.3877 3.4777 3.9088 3.9347 5.1109 5.1310 5.3284 5.3529 5.5786 5.6073 5.7052 5.7098 6.8158 6.8451 7.7137 7.7291 9.9902 10.0056 10.2026 10.2043 10.8447 10.8768 12.0141 12.2274 12.4292 12.7059 k = 0.3889 0.4811 0.2250 ( 5452 PWs) bands (ev): -3.1578 -3.1488 -3.0612 -3.0557 -2.9364 -2.9333 -0.0412 -0.0387 0.2469 0.2538 0.2924 0.3283 0.3772 0.4144 0.5206 0.5731 0.6457 0.6525 1.3081 1.3721 1.6403 1.7796 1.8507 1.9111 1.9759 2.0199 2.0215 2.0875 2.1007 2.1565 2.2028 2.2600 2.3485 2.3956 2.4612 2.4619 2.8386 2.8792 3.4059 3.4922 3.8742 3.8991 5.1101 5.1387 5.2907 5.3169 5.5707 5.6041 5.6999 5.7032 6.7443 6.7755 7.6787 7.6959 10.0807 10.1016 10.2674 10.2691 10.8186 10.8569 12.0883 12.2955 12.4233 12.6717 k = 0.3819 0.4932 0.2250 ( 5450 PWs) bands (ev): -3.1462 -3.1367 -3.0601 -3.0544 -2.9392 -2.9360 -0.0417 -0.0391 0.2515 0.2588 0.2935 0.3339 0.3772 0.4138 0.5202 0.5694 0.6457 0.6531 1.3105 1.3666 1.6560 1.7859 1.8462 1.9020 1.9793 2.0221 2.0234 2.0859 2.0985 2.1518 2.2085 2.2659 2.3480 2.3902 2.4584 2.4600 2.8511 2.8861 3.4243 3.5059 3.8379 3.8620 5.1111 5.1489 5.2632 5.2910 5.5645 5.6012 5.6923 5.6957 6.6762 6.7084 7.6427 7.6608 10.1626 10.1900 10.3368 10.3372 10.7945 10.8390 12.1586 12.3372 12.4303 12.6314 k = 0.3750 0.5052 0.2250 ( 5460 PWs) bands (ev): -3.1346 -3.1246 -3.0595 -3.0536 -2.9422 -2.9389 -0.0422 -0.0396 0.2555 0.2639 0.2943 0.3384 0.3783 0.4130 0.5207 0.5656 0.6455 0.6535 1.3130 1.3607 1.6733 1.7918 1.8412 1.8909 1.9839 2.0226 2.0254 2.0861 2.0967 2.1471 2.2143 2.2728 2.3470 2.3844 2.4543 2.4575 2.8631 2.8919 3.4432 3.5192 3.8007 3.8244 5.1138 5.1603 5.2470 5.2754 5.5585 5.5973 5.6818 5.6864 6.6135 6.6458 7.6078 7.6259 10.2344 10.2679 10.4070 10.4082 10.7723 10.8228 12.2232 12.3368 12.4683 12.5896 k = 0.3681 0.5172 0.2250 ( 5454 PWs) bands (ev): -3.1233 -3.1127 -3.0596 -3.0535 -2.9452 -2.9420 -0.0425 -0.0401 0.2589 0.2689 0.2946 0.3415 0.3808 0.4121 0.5223 0.5617 0.6451 0.6537 1.3157 1.3548 1.6918 1.7971 1.8355 1.8788 1.9890 2.0228 2.0261 2.0879 2.0955 2.1421 2.2201 2.2806 2.3457 2.3784 2.4497 2.4538 2.8739 2.8965 3.4628 3.5326 3.7634 3.7872 5.1178 5.1707 5.2435 5.2698 5.5517 5.5915 5.6683 5.6749 6.5584 6.5893 7.5759 7.5931 10.2962 10.3344 10.4749 10.4775 10.7522 10.8083 12.2788 12.3178 12.5170 12.5523 k = 0.3611 0.5292 0.2250 ( 5446 PWs) bands (ev): -3.1124 -3.1012 -3.0602 -3.0542 -2.9482 -2.9450 -0.0427 -0.0405 0.2617 0.2738 0.2943 0.3433 0.3843 0.4108 0.5249 0.5577 0.6445 0.6538 1.3186 1.3491 1.7113 1.8018 1.8291 1.8660 1.9940 2.0228 2.0258 2.0908 2.0951 2.1370 2.2257 2.2890 2.3442 2.3723 2.4450 2.4491 2.8833 2.8998 3.4834 3.5469 3.7266 3.7512 5.1232 5.1791 5.2520 5.2725 5.5431 5.5831 5.6521 5.6609 6.5126 6.5405 7.5485 7.5641 10.3488 10.3895 10.5356 10.5400 10.7353 10.7957 12.2968 12.3178 12.5293 12.5633 k = 0.3542 0.5413 0.2250 ( 5442 PWs) bands (ev): -3.1023 -3.0905 -3.0615 -3.0558 -2.9509 -2.9480 -0.0428 -0.0410 0.2639 0.2783 0.2936 0.3441 0.3886 0.4090 0.5284 0.5537 0.6437 0.6538 1.3216 1.3438 1.7316 1.8054 1.8218 1.8533 1.9982 2.0227 2.0251 2.0945 2.0955 2.1319 2.2306 2.2978 2.3428 2.3664 2.4403 2.4437 2.8909 2.9018 3.5053 3.5627 3.6912 3.7172 5.1300 5.1870 5.2682 5.2810 5.5327 5.5727 5.6343 5.6448 6.4776 6.5008 7.5270 7.5399 10.3928 10.4328 10.5835 10.5905 10.7238 10.7858 12.2801 12.3307 12.5319 12.6038 k = 0.3472 0.5533 0.2250 ( 5440 PWs) bands (ev): -3.0935 -3.0809 -3.0631 -3.0583 -2.9531 -2.9508 -0.0428 -0.0414 0.2655 0.2823 0.2923 0.3443 0.3930 0.4068 0.5327 0.5497 0.6428 0.6538 1.3247 1.3389 1.7525 1.8068 1.8138 1.8420 2.0016 2.0224 2.0241 2.0965 2.0980 2.1270 2.2345 2.3059 2.3424 2.3608 2.4363 2.4385 2.8965 2.9026 3.5283 3.5805 3.6581 3.6857 5.1375 5.1954 5.2863 5.2922 5.5214 5.5619 5.6174 5.6276 6.4542 6.4710 7.5121 7.5215 10.4283 10.4626 10.6145 10.6248 10.7205 10.7803 12.2715 12.3210 12.5564 12.6371 k = 0.3403 0.5653 0.2250 ( 5436 PWs) bands (ev): -3.0871 -3.0729 -3.0647 -3.0617 -2.9544 -2.9530 -0.0426 -0.0419 0.2664 0.2857 0.2906 0.3443 0.3972 0.4041 0.5373 0.5457 0.6421 0.6537 1.3279 1.3346 1.7737 1.8035 1.8051 1.8346 2.0036 2.0224 2.0233 2.0982 2.1005 2.1230 2.2371 2.3116 2.3442 2.3552 2.4333 2.4343 2.9001 2.9025 3.5507 3.6001 3.6293 3.6578 5.1439 5.2031 5.3010 5.3022 5.5119 5.5534 5.6050 5.6119 6.4425 6.4515 7.5042 7.5093 10.4549 10.4761 10.6309 10.6405 10.7233 10.7793 12.2729 12.3027 12.5844 12.6607 k = 0.3333 0.5774 0.2250 ( 5436 PWs) bands (ev): -3.0847 -3.0683 -3.0650 -3.0650 -2.9544 -2.9544 -0.0423 -0.0423 0.2667 0.2884 0.2884 0.3443 0.4009 0.4009 0.5416 0.5416 0.6418 0.6537 1.3311 1.3311 1.7942 1.7942 1.7964 1.8326 2.0043 2.0226 2.0227 2.1001 2.1002 2.1214 2.2379 2.3135 2.3493 2.3493 2.4323 2.4324 2.9018 2.9018 3.5633 3.6143 3.6143 3.6410 5.1466 5.2065 5.3066 5.3066 5.5077 5.5502 5.6025 5.6025 6.4419 6.4419 7.5035 7.5035 10.4721 10.4721 10.6401 10.6401 10.7253 10.7801 12.2847 12.2847 12.5968 12.6698 k = 0.3333 0.5774 0.2250 ( 5436 PWs) bands (ev): -3.0847 -3.0683 -3.0650 -3.0650 -2.9544 -2.9544 -0.0423 -0.0423 0.2667 0.2884 0.2884 0.3443 0.4009 0.4009 0.5416 0.5416 0.6418 0.6537 1.3311 1.3311 1.7942 1.7942 1.7964 1.8326 2.0043 2.0226 2.0227 2.1001 2.1002 2.1214 2.2379 2.3135 2.3493 2.3493 2.4323 2.4324 2.9018 2.9018 3.5633 3.6143 3.6143 3.6410 5.1466 5.2065 5.3066 5.3066 5.5077 5.5502 5.6025 5.6025 6.4419 6.4419 7.5035 7.5035 10.4721 10.4721 10.6401 10.6401 10.7253 10.7801 12.2847 12.2847 12.5968 12.6698 k = 0.3264 0.5653 0.2250 ( 5440 PWs) bands (ev): -3.0868 -3.0726 -3.0641 -3.0632 -2.9545 -2.9527 -0.0426 -0.0418 0.2664 0.2860 0.2903 0.3443 0.3974 0.4040 0.5376 0.5451 0.6422 0.6537 1.3283 1.3342 1.7815 1.7859 1.8158 1.8337 2.0037 2.0223 2.0233 2.0965 2.1023 2.1228 2.2371 2.3121 2.3424 2.3560 2.4338 2.4345 2.9009 2.9020 3.5507 3.6004 3.6286 3.6580 5.1430 5.2020 5.2996 5.3019 5.5133 5.5539 5.6055 5.6143 6.4418 6.4514 7.5038 7.5095 10.4533 10.4788 10.6288 10.6427 10.7239 10.7782 12.2698 12.3052 12.5854 12.6609 k = 0.3194 0.5533 0.2250 ( 5432 PWs) bands (ev): -3.0922 -3.0795 -3.0637 -3.0631 -2.9530 -2.9490 -0.0430 -0.0413 0.2654 0.2834 0.2913 0.3443 0.3935 0.4062 0.5335 0.5472 0.6438 0.6539 1.3262 1.3374 1.7676 1.7757 1.8356 1.8359 2.0022 2.0223 2.0243 2.0908 2.1043 2.1257 2.2348 2.3090 2.3342 2.3616 2.4394 2.4410 2.9004 2.9012 3.5283 3.5805 3.6564 3.6862 5.1315 5.1876 5.2797 5.2864 5.5316 5.5663 5.6238 5.6407 6.4501 6.4696 7.5099 7.5220 10.4239 10.4745 10.6100 10.6321 10.7233 10.7721 12.2578 12.3309 12.5600 12.6406 k = 0.3125 0.5413 0.2250 ( 5450 PWs) bands (ev): -3.0997 -3.0878 -3.0658 -3.0655 -2.9496 -2.9434 -0.0433 -0.0406 0.2637 0.2806 0.2916 0.3443 0.3894 0.4077 0.5294 0.5473 0.6467 0.6541 1.3250 1.3404 1.7535 1.7654 1.8378 1.8547 2.0001 2.0227 2.0253 2.0842 2.1060 2.1292 2.2314 2.3051 2.3248 2.3647 2.4491 2.4522 2.9001 2.9008 3.5057 3.5621 3.6876 3.7174 5.1126 5.1648 5.2501 5.2619 5.5632 5.5898 5.6554 5.6788 6.4657 6.4951 7.5211 7.5402 10.3870 10.4592 10.5848 10.6046 10.7270 10.7627 12.2472 12.3568 12.5313 12.6175 k = 0.3056 0.5292 0.2250 ( 5446 PWs) bands (ev): -3.1089 -3.0973 -3.0714 -3.0698 -2.9445 -2.9363 -0.0436 -0.0400 0.2613 0.2779 0.2910 0.3439 0.3851 0.4084 0.5253 0.5454 0.6509 0.6544 1.3246 1.3433 1.7398 1.7550 1.8397 1.8715 1.9977 2.0237 2.0264 2.0775 2.1073 2.1327 2.2274 2.3010 2.3146 2.3652 2.4623 2.4676 2.8992 2.9026 3.4845 3.5455 3.7197 3.7500 5.0886 5.1367 5.2151 5.2314 5.6058 5.6244 5.6968 5.7253 6.4876 6.5268 7.5369 7.5633 10.3447 10.4339 10.5528 10.5634 10.7328 10.7521 12.2361 12.3774 12.5042 12.5960 k = 0.2986 0.5172 0.2250 ( 5444 PWs) bands (ev): -3.1195 -3.1082 -3.0793 -3.0767 -2.9381 -2.9280 -0.0439 -0.0393 0.2582 0.2751 0.2899 0.3431 0.3807 0.4084 0.5210 0.5416 0.6548 0.6561 1.3249 1.3460 1.7268 1.7448 1.8414 1.8856 1.9952 2.0252 2.0274 2.0712 2.1082 2.1360 2.2233 2.2968 2.3041 2.3638 2.4787 2.4859 2.8991 2.9064 3.4652 3.5307 3.7513 3.7827 5.0624 5.1065 5.1788 5.1987 5.6572 5.6683 5.7456 5.7779 6.5146 6.5635 7.5563 7.5906 10.2984 10.4001 10.5129 10.5144 10.7383 10.7418 12.2229 12.3885 12.4809 12.5776 k = 0.2917 0.5052 0.2250 ( 5440 PWs) bands (ev): -3.1315 -3.1205 -3.0894 -3.0858 -2.9305 -2.9189 -0.0443 -0.0387 0.2544 0.2723 0.2882 0.3417 0.3763 0.4079 0.5166 0.5363 0.6551 0.6619 1.3260 1.3484 1.7147 1.7349 1.8426 1.8962 1.9926 2.0273 2.0284 2.0658 2.1088 2.1390 2.2194 2.2928 2.2938 2.3610 2.4975 2.5060 2.9004 2.9127 3.4481 3.5175 3.7811 3.8143 5.0368 5.0767 5.1445 5.1667 5.7154 5.7192 5.8004 5.8350 6.5459 6.6043 7.5787 7.6211 10.2490 10.3591 10.4565 10.4706 10.7321 10.7426 12.2067 12.3884 12.4618 12.5623 k = 0.2847 0.4932 0.2250 ( 5448 PWs) bands (ev): -3.1448 -3.1340 -3.1014 -3.0970 -2.9223 -2.9094 -0.0446 -0.0381 0.2501 0.2694 0.2861 0.3396 0.3719 0.4069 0.5120 0.5298 0.6552 0.6677 1.3276 1.3506 1.7039 1.7256 1.8435 1.9030 1.9901 2.0294 2.0294 2.0618 2.1090 2.1416 2.2160 2.2841 2.2891 2.3573 2.5182 2.5267 2.9038 2.9219 3.4333 3.5059 3.8078 3.8430 5.0143 5.0498 5.1147 5.1381 5.7751 5.7789 5.8605 5.8954 6.5807 6.6485 7.6030 7.6540 10.1976 10.3123 10.3966 10.4236 10.7229 10.7451 12.1871 12.3782 12.4467 12.5495 k = 0.2778 0.4811 0.2250 ( 5444 PWs) bands (ev): -3.1595 -3.1489 -3.1151 -3.1100 -2.9136 -2.8996 -0.0449 -0.0376 0.2454 0.2664 0.2836 0.3366 0.3675 0.4056 0.5073 0.5225 0.6550 0.6732 1.3297 1.3525 1.6943 1.7168 1.8440 1.9061 1.9877 2.0304 2.0304 2.0598 2.1089 2.1440 2.2134 2.2753 2.2855 2.3529 2.5403 2.5471 2.9096 2.9344 3.4212 3.4959 3.8301 3.8674 4.9971 5.0278 5.0913 5.1148 5.8344 5.8466 5.9252 5.9586 6.6184 6.6955 7.6285 7.6883 10.1450 10.2606 10.3351 10.3756 10.7138 10.7461 12.1645 12.3598 12.4352 12.5385 k = 0.2708 0.4691 0.2250 ( 5452 PWs) bands (ev): -3.1755 -3.1650 -3.1303 -3.1248 -2.9047 -2.8897 -0.0453 -0.0373 0.2402 0.2633 0.2808 0.3330 0.3633 0.4041 0.5025 0.5148 0.6544 0.6781 1.3322 1.3541 1.6861 1.7088 1.8441 1.9060 1.9854 2.0297 2.0312 2.0600 2.1088 2.1460 2.2118 2.2675 2.2821 2.3478 2.5632 2.5663 2.9186 2.9503 3.4122 3.4875 3.8467 3.8857 4.9867 5.0128 5.0757 5.0983 5.8957 5.9177 5.9944 6.0239 6.6584 6.7446 7.6543 7.7232 10.0920 10.2052 10.2739 10.3285 10.7046 10.7456 12.1391 12.3352 12.4266 12.5289 k = 0.2639 0.4571 0.2250 ( 5458 PWs) bands (ev): -3.1927 -3.1824 -3.1469 -3.1410 -2.8956 -2.8799 -0.0458 -0.0372 0.2347 0.2601 0.2776 0.3286 0.3591 0.4023 0.4977 0.5069 0.6532 0.6820 1.3350 1.3555 1.6792 1.7017 1.8438 1.9035 1.9831 2.0273 2.0321 2.0613 2.1086 2.1474 2.2113 2.2608 2.2789 2.3423 2.5833 2.5859 2.9312 2.9699 3.4068 3.4810 3.8568 3.8968 4.9841 5.0066 5.0689 5.0902 5.9582 5.9916 6.0676 6.0908 6.7001 6.7955 7.6796 7.7575 10.0393 10.1473 10.2144 10.2836 10.6952 10.7439 12.1116 12.3061 12.4203 12.5203 k = 0.2569 0.4450 0.2250 ( 5454 PWs) bands (ev): -3.2111 -3.2010 -3.1649 -3.1588 -2.8866 -2.8701 -0.0462 -0.0374 0.2290 0.2568 0.2742 0.3237 0.3551 0.4003 0.4928 0.4990 0.6512 0.6848 1.3378 1.3566 1.6736 1.6955 1.8433 1.8994 1.9809 2.0239 2.0329 2.0625 2.1085 2.1482 2.2119 2.2553 2.2758 2.3365 2.5973 2.6075 2.9481 2.9932 3.4058 3.4770 3.8602 3.8999 4.9896 5.0097 5.0721 5.0920 6.0212 6.0676 6.1445 6.1589 6.7433 6.8476 7.7035 7.7906 9.9875 10.0884 10.1583 10.2421 10.6855 10.7413 12.0826 12.2740 12.4158 12.5125 k = 0.2500 0.4330 0.2250 ( 5450 PWs) bands (ev): -3.2306 -3.2207 -3.1842 -3.1779 -2.8775 -2.8605 -0.0468 -0.0379 0.2230 0.2533 0.2704 0.3183 0.3512 0.3983 0.4879 0.4913 0.6484 0.6864 1.3405 1.3577 1.6691 1.6903 1.8425 1.8943 1.9787 2.0199 2.0336 2.0628 2.1084 2.1482 2.2133 2.2510 2.2727 2.3303 2.6073 2.6270 2.9696 3.0200 3.4097 3.4761 3.8572 3.8951 5.0023 5.0213 5.0866 5.1048 6.0843 6.1450 6.2245 6.2281 6.7876 6.9004 7.7254 7.8213 9.9370 10.0296 10.1069 10.2047 10.6757 10.7380 12.0527 12.2399 12.4127 12.5051 k = 0.2431 0.4210 0.2250 ( 5442 PWs) bands (ev): -3.2512 -3.2415 -3.2047 -3.1982 -2.8686 -2.8510 -0.0474 -0.0387 0.2168 0.2499 0.2662 0.3127 0.3475 0.3962 0.4830 0.4840 0.6446 0.6867 1.3430 1.3587 1.6655 1.6860 1.8415 1.8888 1.9764 2.0155 2.0343 2.0620 2.1085 2.1473 2.2150 2.2478 2.2696 2.3240 2.6128 2.6431 2.9962 3.0501 3.4193 3.4788 3.8488 3.8832 5.0211 5.0402 5.1137 5.1298 6.1471 6.2233 6.2979 6.3072 6.8326 6.9537 7.7446 7.8488 9.8883 9.9721 10.0618 10.1722 10.6659 10.7343 12.0225 12.2048 12.4106 12.4979 k = 0.2361 0.4090 0.2250 ( 5438 PWs) bands (ev): -3.2727 -3.2633 -3.2264 -3.2198 -2.8597 -2.8417 -0.0481 -0.0398 0.2105 0.2464 0.2615 0.3071 0.3440 0.3941 0.4771 0.4782 0.6397 0.6856 1.3450 1.3598 1.6625 1.6827 1.8404 1.8833 1.9740 2.0109 2.0350 2.0602 2.1088 2.1457 2.2165 2.2457 2.2665 2.3175 2.6132 2.6549 3.0281 3.0828 3.4351 3.4861 3.8369 3.8657 5.0453 5.0651 5.1535 5.1669 6.2093 6.3016 6.3685 6.3920 6.8781 7.0069 7.7605 7.8724 9.8416 9.9170 10.0242 10.1452 10.6564 10.7306 11.9925 12.1694 12.4092 12.4907 k = 0.2292 0.3969 0.2250 ( 5454 PWs) bands (ev): -3.2952 -3.2860 -3.2491 -3.2425 -2.8510 -2.8326 -0.0489 -0.0413 0.2042 0.2429 0.2564 0.3015 0.3406 0.3921 0.4707 0.4735 0.6338 0.6833 1.3465 1.3609 1.6599 1.6802 1.8393 1.8780 1.9714 2.0061 2.0355 2.0575 2.1091 2.1436 2.2172 2.2447 2.2633 2.3110 2.6086 2.6617 3.0647 3.1172 3.4573 3.4986 3.8235 3.8446 5.0746 5.0958 5.2046 5.2149 6.2707 6.3787 6.4400 6.4784 6.9240 7.0597 7.7727 7.8913 9.7973 9.8650 9.9953 10.1242 10.6474 10.7269 11.9632 12.1346 12.4080 12.4832 k = 0.2222 0.3849 0.2250 ( 5442 PWs) bands (ev): -3.3184 -3.3095 -3.2728 -3.2662 -2.8424 -2.8237 -0.0497 -0.0432 0.1978 0.2394 0.2508 0.2963 0.3375 0.3902 0.4648 0.4689 0.6267 0.6797 1.3472 1.3622 1.6575 1.6786 1.8381 1.8733 1.9686 2.0011 2.0360 2.0542 2.1095 2.1410 2.2170 2.2445 2.2600 2.3046 2.5991 2.6634 3.1053 3.1523 3.4859 3.5167 3.8111 3.8223 5.1094 5.1324 5.2654 5.2721 6.3311 6.4532 6.5129 6.5660 6.9700 7.1115 7.7809 7.9050 9.7561 9.8170 9.9756 10.1096 10.6393 10.7236 11.9351 12.1008 12.4070 12.4755 k = 0.2153 0.3729 0.2250 ( 5446 PWs) bands (ev): -3.3423 -3.3337 -3.2973 -3.2908 -2.8339 -2.8149 -0.0507 -0.0455 0.1914 0.2360 0.2446 0.2915 0.3346 0.3884 0.4593 0.4643 0.6184 0.6749 1.3470 1.3635 1.6551 1.6778 1.8370 1.8691 1.9656 1.9960 2.0363 2.0504 2.1099 2.1382 2.2159 2.2447 2.2565 2.2983 2.5853 2.6600 3.1483 3.1863 3.5205 3.5409 3.8011 3.8025 5.1498 5.1748 5.3339 5.3367 6.3901 6.5237 6.5878 6.6544 7.0161 7.1619 7.7852 7.9133 9.7186 9.7737 9.9655 10.1014 10.6322 10.7209 11.9087 12.0684 12.4057 12.4676 k = 0.2083 0.3608 0.2250 ( 5444 PWs) bands (ev): -3.3669 -3.3586 -3.3227 -3.3163 -2.8255 -2.8063 -0.0517 -0.0481 0.1851 0.2327 0.2378 0.2872 0.3320 0.3869 0.4542 0.4598 0.6091 0.6691 1.3458 1.3651 1.6525 1.6775 1.8359 1.8656 1.9624 1.9909 2.0366 2.0461 2.1102 2.1353 2.2140 2.2449 2.2530 2.2921 2.5678 2.6520 3.1915 3.2171 3.5607 3.5712 3.7841 3.8009 5.1959 5.2231 5.4073 5.4087 6.4474 6.5894 6.6643 6.7429 7.0622 7.2105 7.7857 7.9161 9.6854 9.7357 9.9650 10.0995 10.6267 10.7191 11.8841 12.0377 12.4041 12.4594 k = 0.2014 0.3488 0.2250 ( 5448 PWs) bands (ev): -3.3919 -3.3839 -3.3487 -3.3424 -2.8172 -2.7979 -0.0529 -0.0510 0.1790 0.2294 0.2307 0.2835 0.3295 0.3855 0.4495 0.4553 0.5987 0.6623 1.3435 1.3667 1.6495 1.6778 1.8350 1.8628 1.9590 1.9858 2.0367 2.0414 2.1103 2.1324 2.2115 2.2450 2.2493 2.2861 2.5476 2.6401 3.2320 3.2425 3.6058 3.6074 3.7746 3.8093 5.2477 5.2769 5.4825 5.4884 6.5030 6.6503 6.7415 6.8310 7.1083 7.2569 7.7829 7.9138 9.6574 9.7037 9.9735 10.1036 10.6232 10.7183 11.8616 12.0091 12.4019 12.4512 k = 0.1944 0.3368 0.2250 ( 5452 PWs) bands (ev): -3.4173 -3.4096 -3.3752 -3.3691 -2.8090 -2.7896 -0.0543 -0.0541 0.1729 0.2232 0.2262 0.2802 0.3273 0.3844 0.4452 0.4507 0.5873 0.6547 1.3402 1.3683 1.6460 1.6784 1.8342 1.8607 1.9554 1.9809 2.0364 2.0366 2.1101 2.1294 2.2085 2.2447 2.2456 2.2803 2.5255 2.6250 3.2607 3.2664 3.6494 3.6555 3.7763 3.8301 5.3049 5.3360 5.5610 5.5720 6.5564 6.7066 6.8183 6.9180 7.1544 7.3007 7.7774 7.9069 9.6351 9.6781 9.9906 10.1131 10.6221 10.7189 11.8415 11.9825 12.3988 12.4430 k = 0.1875 0.3248 0.2250 ( 5448 PWs) bands (ev): -3.4430 -3.4356 -3.4021 -3.3962 -2.8010 -2.7815 -0.0578 -0.0554 0.1671 0.2155 0.2231 0.2774 0.3254 0.3836 0.4411 0.4461 0.5751 0.6465 1.3357 1.3699 1.6418 1.6792 1.8336 1.8593 1.9516 1.9761 2.0311 2.0364 2.1095 2.1266 2.2050 2.2417 2.2439 2.2747 2.5023 2.6075 3.2706 3.2913 3.6969 3.7093 3.7924 3.8642 5.3672 5.3998 5.6419 5.6584 6.6076 6.7584 6.8934 7.0031 7.2007 7.3419 7.7701 7.8961 9.6190 9.6593 10.0151 10.1272 10.6240 10.7210 11.8238 11.9580 12.3947 12.4348 k = 0.1806 0.3127 0.2250 ( 5448 PWs) bands (ev): -3.4688 -3.4618 -3.4294 -3.4237 -2.7930 -2.7736 -0.0615 -0.0568 0.1614 0.2078 0.2201 0.2750 0.3236 0.3829 0.4372 0.4414 0.5621 0.6377 1.3301 1.3714 1.6370 1.6803 1.8332 1.8585 1.9478 1.9715 2.0255 2.0358 2.1084 2.1238 2.2011 2.2378 2.2428 2.2692 2.4789 2.5884 3.2728 3.3050 3.7502 3.7674 3.8242 3.9109 5.4344 5.4682 5.7242 5.7467 6.6563 6.8057 6.9657 7.0849 7.2475 7.3809 7.7621 7.8824 9.6095 9.6476 10.0463 10.1449 10.6295 10.7249 11.8084 11.9355 12.3890 12.4268 k = 0.1736 0.3007 0.2250 ( 5452 PWs) bands (ev): -3.4947 -3.4881 -3.4568 -3.4513 -2.7851 -2.7658 -0.0654 -0.0583 0.1558 0.2002 0.2171 0.2728 0.3221 0.3825 0.4335 0.4365 0.5487 0.6285 1.3235 1.3726 1.6315 1.6813 1.8330 1.8581 1.9438 1.9671 2.0197 2.0350 2.1068 2.1211 2.1969 2.2338 2.2413 2.2637 2.4561 2.5683 3.2685 3.3080 3.8093 3.8296 3.8704 3.9684 5.5060 5.5405 5.8070 5.8361 6.7025 6.8485 7.0339 7.1614 7.2953 7.4185 7.7547 7.8669 9.6068 9.6433 10.0828 10.1649 10.6390 10.7307 11.7952 11.9147 12.3816 12.4189 k = 0.1667 0.2887 0.2250 ( 5460 PWs) bands (ev): -3.5206 -3.5143 -3.4843 -3.4790 -2.7774 -2.7582 -0.0693 -0.0599 0.1505 0.1927 0.2142 0.2709 0.3207 0.3822 0.4300 0.4314 0.5350 0.6191 1.3158 1.3734 1.6253 1.6823 1.8330 1.8582 1.9399 1.9630 2.0137 2.0338 2.1045 2.1185 2.1925 2.2299 2.2395 2.2583 2.4345 2.5479 3.2596 3.3026 3.8740 3.8959 3.9282 4.0346 5.5816 5.6163 5.8894 5.9257 6.7461 6.8872 7.0967 7.2296 7.3447 7.4567 7.7496 7.8508 9.6110 9.6462 10.1234 10.1862 10.6533 10.7389 11.7839 11.8953 12.3719 12.4110 k = 0.1597 0.2766 0.2250 ( 5460 PWs) bands (ev): -3.5462 -3.5403 -3.5116 -3.5067 -2.7697 -2.7508 -0.0734 -0.0616 0.1453 0.1854 0.2113 0.2690 0.3196 0.3820 0.4258 0.4265 0.5213 0.6096 1.3071 1.3736 1.6186 1.6832 1.8333 1.8586 1.9360 1.9592 2.0076 2.0321 2.1015 2.1157 2.1880 2.2260 2.2374 2.2528 2.4148 2.5276 3.2477 3.2916 3.9433 3.9659 3.9952 4.1075 5.6607 5.6951 5.9706 6.0148 6.7870 6.9219 7.1527 7.2860 7.3963 7.4979 7.7485 7.8353 9.6220 9.6561 10.1669 10.2077 10.6726 10.7494 11.7740 11.8766 12.3596 12.4029 k = 0.1528 0.2646 0.2250 ( 5456 PWs) bands (ev): -3.5717 -3.5661 -3.5388 -3.5341 -2.7622 -2.7435 -0.0775 -0.0635 0.1402 0.1785 0.2083 0.2673 0.3186 0.3820 0.4197 0.4231 0.5080 0.6001 1.2977 1.3730 1.6114 1.6839 1.8338 1.8591 1.9321 1.9555 2.0017 2.0298 2.0980 2.1127 2.1835 2.2222 2.2351 2.2473 2.3972 2.5078 3.2340 3.2773 4.0161 4.0392 4.0694 4.1856 5.7426 5.7762 6.0498 6.1025 6.8253 6.9531 7.2013 7.3280 7.4504 7.5426 7.7545 7.8217 9.6394 9.6726 10.2117 10.2283 10.6970 10.7626 11.7648 11.8580 12.3443 12.3944 k = 0.1458 0.2526 0.2250 ( 5460 PWs) bands (ev): -3.5967 -3.5915 -3.5656 -3.5613 -2.7548 -2.7364 -0.0815 -0.0654 0.1353 0.1720 0.2053 0.2654 0.3178 0.3819 0.4129 0.4197 0.4954 0.5906 1.2874 1.3715 1.6041 1.6843 1.8344 1.8598 1.9284 1.9521 1.9959 2.0268 2.0939 2.1093 2.1792 2.2184 2.2326 2.2418 2.3821 2.4889 3.2195 3.2613 4.0916 4.1151 4.1493 4.2677 5.8268 5.8591 6.1265 6.1879 6.8610 6.9814 7.2421 7.3566 7.5067 7.5867 7.7716 7.8112 9.6626 9.6949 10.2474 10.2566 10.7263 10.7784 11.7554 11.8384 12.3261 12.3849 k = 0.1389 0.2406 0.2250 ( 5452 PWs) bands (ev): -3.6213 -3.6165 -3.5920 -3.5879 -2.7475 -2.7295 -0.0855 -0.0675 0.1306 0.1658 0.2022 0.2634 0.3171 0.3816 0.4054 0.4164 0.4841 0.5814 1.2766 1.3687 1.5968 1.6846 1.8353 1.8603 1.9249 1.9488 1.9906 2.0231 2.0895 2.1054 2.1753 2.2148 2.2300 2.2363 2.3694 2.4710 3.2048 3.2446 4.1694 4.1933 4.2332 4.3529 5.9121 5.9429 6.2000 6.2703 6.8944 7.0075 7.2758 7.3753 7.5640 7.6235 7.8044 7.8052 9.6910 9.7221 10.2646 10.3001 10.7598 10.7969 11.7445 11.8166 12.3050 12.3739 k = 0.1319 0.2285 0.2250 ( 5446 PWs) bands (ev): -3.6453 -3.6409 -3.6178 -3.6140 -2.7404 -2.7228 -0.0895 -0.0696 0.1260 0.1600 0.1991 0.2611 0.3166 0.3809 0.3975 0.4131 0.4743 0.5724 1.2652 1.3645 1.5899 1.6845 1.8363 1.8608 1.9215 1.9454 1.9860 2.0186 2.0850 2.1007 2.1719 2.2114 2.2273 2.2311 2.3591 2.4545 3.1904 3.2279 4.2491 4.2732 4.3197 4.4402 5.9974 6.0266 6.2705 6.3488 6.9255 7.0321 7.3036 7.3875 7.6206 7.6504 7.8053 7.8531 9.7235 9.7531 10.2796 10.3410 10.7963 10.8180 11.7303 11.7910 12.2818 12.3610 k = 0.1250 0.2165 0.2250 ( 5450 PWs) bands (ev): -3.6687 -3.6646 -3.6429 -3.6395 -2.7335 -2.7163 -0.0933 -0.0719 0.1216 0.1547 0.1959 0.2582 0.3162 0.3782 0.3907 0.4098 0.4661 0.5638 1.2535 1.3586 1.5836 1.6841 1.8374 1.8610 1.9184 1.9419 1.9823 2.0132 2.0806 2.0953 2.1692 2.2081 2.2246 2.2263 2.3509 2.4392 3.1767 3.2118 4.3304 4.3543 4.4078 4.5286 6.0809 6.1093 6.3385 6.4228 6.9546 7.0561 7.3268 7.3957 7.6712 7.6736 7.8143 7.9124 9.7590 9.7866 10.2924 10.3778 10.8345 10.8413 11.7107 11.7596 12.2577 12.3457 k = 0.1181 0.2045 0.2250 ( 5442 PWs) bands (ev): -3.6913 -3.6876 -3.6672 -3.6641 -2.7267 -2.7101 -0.0970 -0.0743 0.1174 0.1498 0.1926 0.2547 0.3160 0.3719 0.3872 0.4066 0.4595 0.5555 1.2417 1.3511 1.5783 1.6834 1.8387 1.8610 1.9156 1.9381 1.9797 2.0071 2.0764 2.0890 2.1673 2.2050 2.2219 2.2219 2.3443 2.4253 3.1637 3.1964 4.4129 4.4363 4.4963 4.6174 6.1605 6.1895 6.4053 6.4918 6.9820 7.0803 7.3469 7.4016 7.6906 7.7185 7.8362 7.9769 9.7962 9.8214 10.3028 10.4095 10.8663 10.8728 11.6836 11.7204 12.2345 12.3284 k = 0.1111 0.1925 0.2250 ( 5430 PWs) bands (ev): -3.7131 -3.7098 -3.6906 -3.6878 -2.7201 -2.7041 -0.1005 -0.0769 0.1133 0.1454 0.1892 0.2502 0.3159 0.3633 0.3859 0.4034 0.4543 0.5477 1.2298 1.3418 1.5740 1.6823 1.8399 1.8607 1.9131 1.9342 1.9782 2.0005 2.0726 2.0820 2.1661 2.2021 2.2180 2.2193 2.3393 2.4128 3.1515 3.1819 4.4961 4.5187 4.5845 4.7056 6.2333 6.2659 6.4727 6.5556 7.0078 7.1051 7.3658 7.4063 7.7115 7.7525 7.8734 8.0434 9.8337 9.8560 10.3104 10.4347 10.8924 10.9094 11.6468 11.6713 12.2145 12.3106 k = 0.1042 0.1804 0.2250 ( 5430 PWs) bands (ev): -3.7340 -3.7311 -3.7131 -3.7106 -2.7137 -2.6983 -0.1039 -0.0796 0.1095 0.1413 0.1857 0.2447 0.3159 0.3545 0.3853 0.4003 0.4504 0.5403 1.2180 1.3308 1.5711 1.6808 1.8412 1.8601 1.9109 1.9301 1.9777 1.9936 2.0692 2.0744 2.1656 2.1995 2.2146 2.2167 2.3353 2.4016 3.1404 3.1685 4.5795 4.6008 4.6713 4.7924 6.2972 6.3368 6.5427 6.6144 7.0324 7.1309 7.3850 7.4104 7.7357 7.7789 7.9222 8.1098 9.8702 9.8890 10.3147 10.4522 10.9194 10.9427 11.5993 11.6112 12.2000 12.2950 k = 0.0972 0.1684 0.2250 ( 5428 PWs) bands (ev): -3.7539 -3.7514 -3.7344 -3.7323 -2.7075 -2.6929 -0.1071 -0.0823 0.1060 0.1377 0.1822 0.2380 0.3159 0.3466 0.3848 0.3973 0.4476 0.5332 1.2064 1.3184 1.5693 1.6790 1.8425 1.8593 1.9089 1.9260 1.9781 1.9867 2.0660 2.0664 2.1656 2.1970 2.2117 2.2142 2.3323 2.3915 3.1302 3.1561 4.6626 4.6824 4.7561 4.8766 6.3512 6.4007 6.6156 6.6687 7.0557 7.1573 7.4065 7.4150 7.7636 7.8029 7.9769 8.1752 9.9043 9.9192 10.3151 10.4609 10.9469 10.9713 11.5397 11.5412 12.1929 12.2845 k = 0.0903 0.1564 0.2250 ( 5432 PWs) bands (ev): -3.7728 -3.7706 -3.7546 -3.7528 -2.7017 -2.6878 -0.1101 -0.0852 0.1027 0.1344 0.1787 0.2301 0.3161 0.3398 0.3842 0.3944 0.4457 0.5266 1.1954 1.3048 1.5688 1.6768 1.8436 1.8582 1.9073 1.9221 1.9793 1.9801 2.0581 2.0630 2.1660 2.1948 2.2092 2.2119 2.3300 2.3826 3.1210 3.1447 4.7447 4.7627 4.8381 4.9575 6.3965 6.4567 6.6899 6.7188 7.0775 7.1834 7.4218 7.4324 7.7953 7.8275 8.0341 8.2387 9.9347 9.9453 10.3105 10.4596 10.9751 10.9940 11.4579 11.4742 12.1948 12.2812 k = 0.0833 0.1443 0.2250 ( 5432 PWs) bands (ev): -3.7906 -3.7888 -3.7735 -3.7720 -2.6960 -2.6830 -0.1129 -0.0882 0.0998 0.1314 0.1751 0.2213 0.3163 0.3343 0.3836 0.3917 0.4445 0.5204 1.1849 1.2903 1.5693 1.6742 1.8447 1.8571 1.9059 1.9184 1.9739 1.9811 2.0497 2.0602 2.1668 2.1928 2.2070 2.2098 2.3283 2.3746 3.1127 3.1343 4.8252 4.8412 4.9165 5.0338 6.4353 6.5043 6.7628 6.7653 7.0972 7.2074 7.4328 7.4647 7.8300 7.8537 8.0921 8.2998 9.9604 9.9665 10.3001 10.4477 11.0042 11.0097 11.3681 11.4016 12.2067 12.2859 k = 0.0764 0.1323 0.2250 ( 5432 PWs) bands (ev): -3.8073 -3.8058 -3.7911 -3.7899 -2.6907 -2.6785 -0.1154 -0.0913 0.0972 0.1288 0.1716 0.2118 0.3166 0.3301 0.3829 0.3891 0.4441 0.5145 1.1752 1.2753 1.5708 1.6712 1.8457 1.8558 1.9048 1.9150 1.9683 1.9833 2.0413 2.0574 2.1679 2.1910 2.2052 2.2077 2.3270 2.3676 3.1053 3.1250 4.9032 4.9174 4.9908 5.1046 6.4699 6.5441 6.8082 6.8314 7.1136 7.2277 7.4510 7.5045 7.8669 7.8817 8.1502 8.3581 9.9806 9.9822 10.2829 10.4251 11.0168 11.0342 11.2731 11.3284 12.2289 12.2982 k = 0.0694 0.1203 0.2250 ( 5436 PWs) bands (ev): -3.8227 -3.8215 -3.8073 -3.8064 -2.6857 -2.6744 -0.1177 -0.0944 0.0950 0.1264 0.1682 0.2019 0.3170 0.3270 0.3820 0.3867 0.4442 0.5089 1.1663 1.2601 1.5731 1.6678 1.8465 1.8545 1.9038 1.9119 1.9635 1.9859 2.0331 2.0547 2.1691 2.1895 2.2037 2.2059 2.3261 2.3614 3.0988 3.1165 4.9780 4.9906 5.0603 5.1691 6.5022 6.5771 6.8476 6.8932 7.1253 7.2431 7.4787 7.5517 7.9052 7.9114 8.2077 8.4130 9.9921 9.9949 10.2585 10.3923 11.0109 11.0621 11.1784 11.2628 12.2610 12.3168 k = 0.0625 0.1083 0.2250 ( 5430 PWs) bands (ev): -3.8368 -3.8359 -3.8222 -3.8215 -2.6810 -2.6707 -0.1197 -0.0975 0.0933 0.1242 0.1648 0.1921 0.3173 0.3247 0.3811 0.3846 0.4449 0.5037 1.1584 1.2450 1.5761 1.6641 1.8472 1.8533 1.9030 1.9092 1.9595 1.9887 2.0251 2.0519 2.1705 2.1881 2.2024 2.2042 2.3255 2.3560 3.0932 3.1090 5.0487 5.0601 5.1246 5.2265 6.5337 6.6047 6.8836 6.9469 7.1312 7.2535 7.5172 7.6044 7.9428 7.9441 8.2641 8.4640 9.9964 10.0033 10.2273 10.3508 10.9835 11.0484 11.1258 11.2168 12.3024 12.3406 k = 0.0556 0.0962 0.2250 ( 5436 PWs) bands (ev): -3.8497 -3.8490 -3.8355 -3.8351 -2.6767 -2.6675 -0.1213 -0.1007 0.0920 0.1222 0.1616 0.1827 0.3177 0.3230 0.3802 0.3826 0.4460 0.4987 1.1517 1.2302 1.5796 1.6600 1.8478 1.8522 1.9023 1.9067 1.9565 1.9915 2.0177 2.0491 2.1719 2.1869 2.2013 2.2028 2.3251 2.3512 3.0884 3.1023 5.1144 5.1252 5.1834 5.2762 6.5650 6.6281 6.9162 6.9927 7.1313 7.2591 7.5652 7.6599 7.9759 7.9829 8.3191 8.5105 9.9958 10.0064 10.1902 10.3026 10.9305 10.9604 11.1495 11.1979 12.3520 12.3680 k = 0.0486 0.0842 0.2250 ( 5436 PWs) bands (ev): -3.8611 -3.8607 -3.8474 -3.8472 -2.6728 -2.6646 -0.1227 -0.1038 0.0912 0.1201 0.1586 0.1740 0.3181 0.3219 0.3792 0.3808 0.4475 0.4939 1.1461 1.2160 1.5837 1.6556 1.8482 1.8512 1.9016 1.9046 1.9544 1.9937 2.0113 2.0462 2.1733 2.1859 2.2004 2.2015 2.3250 2.3469 3.0843 3.0964 5.1743 5.1853 5.2364 5.3180 6.5962 6.6486 6.9457 7.0314 7.1266 7.2607 7.6195 7.7146 8.0107 8.0210 8.3722 8.5520 9.9912 10.0050 10.1492 10.2499 10.8607 10.8658 11.1831 11.1997 12.3978 12.4085 k = 0.0417 0.0722 0.2250 ( 5432 PWs) bands (ev): -3.8712 -3.8709 -3.8578 -3.8576 -2.6693 -2.6622 -0.1237 -0.1069 0.0909 0.1180 0.1558 0.1662 0.3185 0.3212 0.3783 0.3793 0.4493 0.4894 1.1419 1.2027 1.5882 1.6510 1.8484 1.8504 1.9009 1.9028 1.9534 1.9939 2.0074 2.0433 2.1746 2.1850 2.1996 2.2004 2.3250 2.3432 3.0810 3.0913 5.2275 5.2396 5.2835 5.3518 6.6268 6.6668 6.9718 7.0639 7.1190 7.2588 7.6761 7.7652 8.0468 8.0579 8.4228 8.5876 9.9837 10.0001 10.1068 10.1954 10.7755 10.7850 11.2130 11.2169 12.4291 12.4705 k = 0.0347 0.0601 0.2250 ( 5432 PWs) bands (ev): -3.8798 -3.8796 -3.8665 -3.8665 -2.6662 -2.6602 -0.1243 -0.1098 0.0911 0.1156 0.1533 0.1596 0.3188 0.3207 0.3774 0.3780 0.4515 0.4850 1.1390 1.1902 1.5929 1.6461 1.8486 1.8498 1.9002 1.9013 1.9533 1.9906 2.0075 2.0402 2.1759 2.1842 2.1990 2.1994 2.3253 2.3400 3.0783 3.0869 5.2737 5.2876 5.3242 5.3779 6.6559 6.6834 6.9945 7.0885 7.1127 7.2539 7.7310 7.8090 8.0836 8.0930 8.4704 8.6165 9.9748 9.9931 10.0658 10.1416 10.6929 10.7105 11.2323 11.2483 12.4613 12.5364 k = 0.0278 0.0481 0.2250 ( 5444 PWs) bands (ev): -3.8869 -3.8868 -3.8738 -3.8738 -2.6635 -2.6586 -0.1245 -0.1126 0.0920 0.1130 0.1510 0.1544 0.3191 0.3204 0.3767 0.3770 0.4539 0.4808 1.1375 1.1789 1.5979 1.6410 1.8487 1.8493 1.8996 1.9001 1.9542 1.9854 2.0099 2.0370 2.1771 2.1835 2.1984 2.1987 2.3257 2.3372 3.0764 3.0832 5.3127 5.3284 5.3582 5.3967 6.6820 6.6984 7.0135 7.0908 7.1247 7.2466 7.7807 7.8443 8.1190 8.1255 8.5144 8.6380 9.9658 9.9851 10.0294 10.0908 10.6209 10.6417 11.2539 11.2754 12.4939 12.6036 k = 0.0208 0.0361 0.2250 ( 5448 PWs) bands (ev): -3.8924 -3.8924 -3.8795 -3.8794 -2.6612 -2.6576 -0.1243 -0.1152 0.0933 0.1100 0.1491 0.1506 0.3194 0.3202 0.3760 0.3762 0.4566 0.4769 1.1375 1.1688 1.6032 1.6358 1.8487 1.8490 1.8990 1.8992 1.9559 1.9799 2.0131 2.0338 2.1782 2.1828 2.1980 2.1981 2.3263 2.3348 3.0750 3.0802 5.3447 5.3614 5.3849 5.4086 6.7037 6.7115 7.0289 7.0819 7.1454 7.2372 7.8227 7.8703 8.1507 8.1541 8.5540 8.6512 9.9581 9.9774 10.0003 10.0456 10.5624 10.5824 11.2752 11.2968 12.5266 12.6571 k = 0.0139 0.0241 0.2250 ( 5464 PWs) bands (ev): -3.8964 -3.8964 -3.8835 -3.8835 -2.6594 -2.6570 -0.1237 -0.1175 0.0952 0.1068 0.1477 0.1481 0.3196 0.3201 0.3756 0.3756 0.4595 0.4730 1.1390 1.1599 1.6085 1.6304 1.8487 1.8488 1.8985 1.8985 1.9584 1.9747 2.0165 2.0304 2.1792 2.1822 2.1977 2.1977 2.3271 2.3327 3.0744 3.0778 5.3698 5.3857 5.4037 5.4146 6.7197 6.7223 7.0408 7.0728 7.1651 7.2261 7.8555 7.8867 8.1756 8.1768 8.5886 8.6558 9.9531 9.9708 9.9803 10.0080 10.5200 10.5355 11.2940 11.3111 12.5587 12.6588 k = 0.0069 0.0120 0.2250 ( 5464 PWs) bands (ev): -3.8988 -3.8988 -3.8859 -3.8859 -2.6581 -2.6569 -0.1227 -0.1196 0.0976 0.1035 0.1467 0.1467 0.3197 0.3200 0.3753 0.3753 0.4626 0.4694 1.1420 1.1525 1.6140 1.6249 1.8486 1.8486 1.8982 1.8982 1.9616 1.9698 2.0200 2.0270 2.1800 2.1815 2.1975 2.1975 2.3282 2.3309 3.0743 3.0760 5.3882 5.3995 5.4142 5.4163 6.7293 6.7296 7.0500 7.0648 7.1830 7.2134 7.8782 7.8937 8.1915 8.1917 8.6169 8.6513 9.9532 9.9665 9.9694 9.9797 10.4956 10.5041 11.3084 11.3178 12.5891 12.6407 k = 0.0000 0.0000 0.2250 ( 5464 PWs) bands (ev): -3.8997 -3.8997 -3.8867 -3.8867 -2.6573 -2.6573 -0.1213 -0.1213 0.1004 0.1004 0.1463 0.1463 0.3199 0.3199 0.3751 0.3751 0.4659 0.4659 1.1465 1.1465 1.6194 1.6194 1.8486 1.8486 1.8980 1.8980 1.9655 1.9655 2.0235 2.0235 2.1808 2.1808 2.1975 2.1975 2.3294 2.3294 3.0748 3.0748 5.3994 5.3994 5.4172 5.4172 6.7324 6.7324 7.0576 7.0576 7.1990 7.1990 7.8909 7.8909 8.1969 8.1969 8.6382 8.6382 9.9611 9.9611 9.9659 9.9659 10.4903 10.4903 11.3167 11.3167 12.6169 12.6169 k = 0.5000 0.2887 0.2250 ( 5472 PWs) bands (ev): -3.2660 -3.2660 -3.0900 -3.0900 -2.9142 -2.9142 -0.0367 -0.0367 0.1932 0.1932 0.2666 0.2666 0.4099 0.4099 0.5821 0.5821 0.6366 0.6366 1.3262 1.3262 1.6532 1.6532 1.8880 1.8880 1.9547 1.9547 2.1145 2.1145 2.1721 2.1721 2.2237 2.2237 2.3417 2.3417 2.4457 2.4457 2.7562 2.7562 3.2449 3.2449 4.1012 4.1012 5.1327 5.1327 5.5795 5.5795 6.3037 6.3037 6.4087 6.4087 7.0600 7.0600 7.4138 7.4138 9.2650 9.2650 9.9311 9.9311 10.9451 10.9451 11.5309 11.5309 12.1754 12.1754 k = 0.5000 0.2887 0.2109 ( 5472 PWs) bands (ev): -3.2663 -3.2653 -3.0920 -3.0894 -2.9146 -2.9129 -0.0398 -0.0322 0.1898 0.1959 0.2620 0.2718 0.4081 0.4116 0.5681 0.5949 0.6252 0.6484 1.3228 1.3305 1.6401 1.6655 1.8764 1.8987 1.9526 1.9567 2.1043 2.1230 2.1651 2.1762 2.2222 2.2281 2.3223 2.3601 2.4376 2.4597 2.7528 2.7615 3.2316 3.2491 4.0976 4.1196 5.1001 5.1131 5.5973 5.6160 6.2715 6.3312 6.3872 6.4301 7.0406 7.0767 7.3922 7.4354 9.2649 9.2710 9.9116 9.9422 10.9276 10.9593 11.4811 11.5406 12.1422 12.2359 k = 0.5000 0.2887 0.1969 ( 5480 PWs) bands (ev): -3.2660 -3.2640 -3.0953 -3.0903 -2.9140 -2.9108 -0.0415 -0.0264 0.1857 0.1979 0.2581 0.2776 0.4062 0.4133 0.5535 0.6014 0.6192 0.6598 1.3202 1.3357 1.6263 1.6766 1.8637 1.9085 1.9509 1.9586 2.0930 2.1288 2.1572 2.1772 2.2220 2.2356 2.3035 2.3741 2.4381 2.4782 2.7513 2.7687 3.2103 3.2437 4.1089 4.1513 5.0320 5.0514 5.6587 5.6900 6.2373 6.3421 6.3772 6.4489 7.0197 7.0899 7.3716 7.4559 9.2706 9.2824 9.8845 9.9441 10.9077 10.9691 11.4053 11.5060 12.1432 12.3072 k = 0.5000 0.2887 0.1828 ( 5482 PWs) bands (ev): -3.2652 -3.2622 -3.0998 -3.0925 -2.9126 -2.9081 -0.0418 -0.0194 0.1808 0.1993 0.2549 0.2838 0.4040 0.4148 0.5386 0.5931 0.6272 0.6707 1.3186 1.3416 1.6120 1.6863 1.8504 1.9176 1.9496 1.9599 2.0810 2.1301 2.1512 2.1760 2.2218 2.2453 2.2863 2.3807 2.4494 2.5004 2.7517 2.7779 3.1831 3.2296 4.1341 4.1942 4.9478 4.9691 5.7414 5.7819 6.2030 6.3246 6.3901 6.4637 6.9989 7.0998 7.3534 7.4745 9.2822 9.2987 9.8502 9.9356 10.8861 10.9730 11.3175 11.4396 12.1672 12.3771 k = 0.5000 0.2887 0.1687 ( 5472 PWs) bands (ev): -3.2639 -3.2599 -3.1052 -3.0960 -2.9105 -2.9048 -0.0408 -0.0111 0.1751 0.2000 0.2524 0.2904 0.4016 0.4163 0.5236 0.5804 0.6389 0.6810 1.3180 1.3483 1.5973 1.6940 1.8370 1.9261 1.9490 1.9605 2.0688 2.1259 2.1483 2.1744 2.2204 2.2561 2.2715 2.3818 2.4688 2.5254 2.7542 2.7895 3.1520 3.2086 4.1709 4.2460 4.8577 4.8789 5.8300 5.8805 6.1714 6.3012 6.4034 6.4733 6.9804 7.1072 7.3382 7.4908 9.2990 9.3191 9.8092 9.9161 10.8631 10.9666 11.2312 11.3595 12.1959 12.4428 k = 0.5000 0.2887 0.1547 ( 5464 PWs) bands (ev): -3.2621 -3.2572 -3.1115 -3.1006 -2.9077 -2.9013 -0.0385 -0.0017 0.1688 0.2002 0.2507 0.2974 0.3987 0.4176 0.5086 0.5669 0.6507 0.6905 1.3183 1.3558 1.5822 1.6987 1.8246 1.9342 1.9491 1.9602 2.0568 2.1190 2.1457 2.1729 2.2173 2.2596 2.2674 2.3808 2.4917 2.5522 2.7594 2.8036 3.1190 3.1826 4.2164 4.3040 4.7670 4.7876 5.9098 5.9792 6.1489 6.2803 6.4109 6.4766 6.9662 7.1140 7.3262 7.5047 9.3205 9.3422 9.7618 9.8852 10.8367 10.9397 11.1633 11.2804 12.2142 12.5059 k = 0.5000 0.2887 0.1406 ( 5472 PWs) bands (ev): -3.2598 -3.2539 -3.1183 -3.1061 -2.9044 -2.8977 -0.0350 0.0086 0.1619 0.1997 0.2498 0.3047 0.3951 0.4188 0.4942 0.5530 0.6622 0.6992 1.3197 1.3638 1.5671 1.6992 1.8149 1.9416 1.9501 1.9590 2.0457 2.1120 2.1414 2.1712 2.2129 2.2516 2.2784 2.3794 2.5156 2.5793 2.7679 2.8204 3.0855 3.1536 4.2671 4.3649 4.6788 4.7005 5.9566 6.0734 6.1462 6.2731 6.4122 6.4732 6.9581 7.1223 7.3167 7.5162 9.3455 9.3666 9.7090 9.8441 10.8024 10.8845 11.1271 11.2141 12.2140 12.5577 k = 0.5000 0.2887 0.1265 ( 5464 PWs) bands (ev): -3.2570 -3.2503 -3.1255 -3.1124 -2.9008 -2.8940 -0.0303 0.0196 0.1546 0.1986 0.2498 0.3124 0.3905 0.4197 0.4805 0.5392 0.6732 0.7071 1.3220 1.3724 1.5522 1.6941 1.8092 1.9469 1.9517 1.9582 2.0359 2.1057 2.1353 2.1677 2.2088 2.2464 2.2891 2.3780 2.5390 2.6051 2.7806 2.8398 3.0530 3.1232 4.3161 4.4221 4.5959 4.6277 5.9562 6.1401 6.1674 6.3047 6.4104 6.4640 6.9569 7.1342 7.3089 7.5253 9.3722 9.3899 9.6527 9.7954 10.7527 10.8134 11.1143 11.1708 12.1955 12.5229 k = 0.5000 0.2887 0.1125 ( 5458 PWs) bands (ev): -3.2538 -3.2463 -3.1330 -3.1193 -2.8972 -2.8905 -0.0245 0.0312 0.1470 0.1969 0.2505 0.3205 0.3844 0.4205 0.4684 0.5254 0.6836 0.7142 1.3254 1.3813 1.5376 1.6835 1.8082 1.9459 1.9540 1.9619 2.0279 2.1004 2.1279 2.1615 2.2066 2.2428 2.2994 2.3766 2.5612 2.6279 2.7981 2.8614 3.0226 3.0930 4.3468 4.4500 4.5331 4.5958 5.9292 6.1219 6.2368 6.3728 6.4134 6.4542 6.9626 7.1510 7.3019 7.5321 9.3969 9.4078 9.5974 9.7445 10.6844 10.7433 11.1094 11.1560 12.1638 12.4362 k = 0.5000 0.2887 0.0984 ( 5452 PWs) bands (ev): -3.2501 -3.2420 -3.1405 -3.1266 -2.8935 -2.8872 -0.0177 0.0428 0.1394 0.1945 0.2522 0.3288 0.3766 0.4208 0.4582 0.5119 0.6932 0.7203 1.3298 1.3903 1.5240 1.6683 1.8110 1.9400 1.9572 1.9684 2.0217 2.0961 2.1194 2.1534 2.2066 2.2400 2.3090 2.3753 2.5817 2.6467 2.8203 2.8840 2.9958 3.0641 4.3317 4.4035 4.5403 4.6264 5.8925 6.0861 6.2778 6.4044 6.4565 6.4740 6.9744 7.1727 7.2955 7.5367 9.4091 9.4129 9.5549 9.6999 10.6079 10.6753 11.1106 11.1612 12.1254 12.3491 k = 0.5000 0.2887 0.0844 ( 5452 PWs) bands (ev): -3.2461 -3.2374 -3.1480 -3.1341 -2.8901 -2.8843 -0.0100 0.0537 0.1325 0.1913 0.2547 0.3374 0.3670 0.4205 0.4504 0.4988 0.7021 0.7255 1.3352 1.3986 1.5121 1.6503 1.8165 1.9319 1.9610 1.9752 2.0175 2.0928 2.1101 2.1444 2.2080 2.2376 2.3181 2.3738 2.6004 2.6610 2.8460 2.9044 2.9755 3.0377 4.2825 4.3332 4.5896 4.6840 5.8529 6.0415 6.2868 6.3883 6.5161 6.5475 6.9911 7.1979 7.2905 7.5388 9.3862 9.4012 9.5456 9.6721 10.5340 10.6078 11.1202 11.1742 12.0857 12.2681 k = 0.5000 0.2887 0.0703 ( 5454 PWs) bands (ev): -3.2417 -3.2328 -3.1551 -3.1416 -2.8868 -2.8818 -0.0016 0.0628 0.1274 0.1873 0.2582 0.3456 0.3564 0.4194 0.4451 0.4864 0.7100 0.7297 1.3416 1.4053 1.5030 1.6306 1.8237 1.9226 1.9652 1.9814 2.0154 2.0900 2.1007 2.1355 2.2101 2.2354 2.3264 2.3722 2.6172 2.6714 2.8720 2.9143 2.9693 3.0157 4.2260 4.2652 4.6501 4.7449 5.8142 5.9909 6.2824 6.3659 6.5812 6.6206 7.0120 7.2202 7.2923 7.5382 9.3384 9.3668 9.5645 9.6651 10.4679 10.5425 11.1362 11.1890 12.0489 12.1954 k = 0.5000 0.2887 0.0562 ( 5454 PWs) bands (ev): -3.2371 -3.2283 -3.1615 -3.1489 -2.8840 -2.8798 0.0075 0.0680 0.1256 0.1825 0.2627 0.3417 0.3570 0.4172 0.4421 0.4749 0.7171 0.7329 1.3490 1.4089 1.4985 1.6103 1.8320 1.9125 1.9696 1.9862 2.0159 2.0849 2.0941 2.1270 2.2126 2.2331 2.3340 2.3702 2.6323 2.6782 2.8936 2.9095 2.9802 3.0012 4.1732 4.2043 4.7120 4.8012 5.7794 5.9369 6.2758 6.3433 6.6425 6.6823 7.0366 7.2272 7.3114 7.5340 9.2860 9.3191 9.5935 9.6721 10.4123 10.4820 11.1554 11.2028 12.0179 12.1319 k = 0.5000 0.2887 0.0422 ( 5454 PWs) bands (ev): -3.2325 -3.2244 -3.1670 -3.1559 -2.8816 -2.8784 0.0170 0.0678 0.1287 0.1767 0.2685 0.3293 0.3660 0.4136 0.4409 0.4648 0.7230 0.7349 1.3572 1.4079 1.5000 1.5901 1.8410 1.9021 1.9740 1.9887 2.0194 2.0753 2.0931 2.1193 2.2153 2.2308 2.3409 2.3678 2.6456 2.6819 2.8999 2.9057 2.9932 3.0010 4.1291 4.1529 4.7706 4.8476 5.7525 5.8823 6.2711 6.3225 6.6946 6.7296 7.0643 7.2186 7.3462 7.5252 9.2394 9.2698 9.6239 9.6837 10.3692 10.4284 11.1749 11.2136 11.9949 12.0788 k = 0.5000 0.2887 0.0281 ( 5458 PWs) bands (ev): -3.2280 -3.2216 -3.1707 -3.1623 -2.8796 -2.8774 0.0268 0.0630 0.1357 0.1700 0.2755 0.3166 0.3754 0.4084 0.4412 0.4565 0.7279 0.7359 1.3662 1.4027 1.5074 1.5703 1.8505 1.8915 1.9782 1.9889 2.0257 2.0645 2.0944 2.1124 2.2180 2.2284 2.3471 2.3649 2.6573 2.6825 2.8940 2.9051 3.0027 3.0123 4.0966 4.1129 4.8219 4.8795 5.7375 5.8310 6.2698 6.3044 6.7350 6.7609 7.0941 7.2016 7.3864 7.5107 9.2043 9.2271 9.6518 9.6929 10.3405 10.3838 11.1927 11.2200 11.9814 12.0366 k = 0.5000 0.2887 0.0141 ( 5458 PWs) bands (ev): -3.2241 -3.2204 -3.1722 -3.1675 -2.8782 -2.8771 0.0367 0.0554 0.1445 0.1622 0.2838 0.3046 0.3848 0.4017 0.4428 0.4501 0.7317 0.7357 1.3757 1.3947 1.5194 1.5516 1.8604 1.8809 1.9820 1.9876 2.0339 2.0537 2.0972 2.1063 2.2207 2.2259 2.3526 2.3614 2.6672 2.6801 2.8920 2.8995 3.0131 3.0195 4.0779 4.0863 4.8621 4.8931 5.7378 5.7870 6.2724 6.2898 6.7626 6.7763 7.1244 7.1795 7.4258 7.4893 9.1844 9.1966 9.6744 9.6955 10.3277 10.3507 11.2071 11.2212 11.9783 12.0056 k = 0.5000 0.2887-0.0000 ( 5460 PWs) bands (ev): -3.2214 -3.2214 -3.1711 -3.1711 -2.8774 -2.8774 0.0464 0.0464 0.1536 0.1536 0.2936 0.2936 0.3937 0.3937 0.4456 0.4456 0.7343 0.7343 1.3854 1.3854 1.5344 1.5344 1.8705 1.8705 1.9852 1.9852 2.0434 2.0434 2.1012 2.1012 2.2233 2.2233 2.3573 2.3573 2.6749 2.6749 2.8942 2.8942 3.0197 3.0197 4.0744 4.0744 4.8869 4.8869 5.7547 5.7547 6.2791 6.2791 6.7766 6.7766 7.1533 7.1533 7.4608 7.4608 9.1818 9.1818 9.6894 9.6894 10.3313 10.3313 11.2168 11.2168 11.9862 11.9862 k = 0.3333 0.5774-0.0000 ( 5433 PWs) bands (ev): -3.0987 -3.0987 -3.0065 -3.0065 -3.0008 -2.9856 0.0267 0.0947 0.0947 0.1329 0.3499 0.3500 0.3620 0.4386 0.5777 0.5777 0.6475 0.6475 1.3793 1.4512 1.5591 1.5591 1.9076 1.9077 1.9477 1.9477 2.0751 2.1175 2.1175 2.1176 2.3405 2.3406 2.4458 2.4655 2.4949 2.4949 3.1634 3.2578 3.2578 3.2979 3.4706 3.4706 4.2414 4.2414 5.4107 5.4690 5.4690 5.5623 6.6467 6.6467 7.1653 7.1653 7.3899 7.4381 8.9619 8.9619 10.1425 10.2977 10.4393 10.4393 13.0088 13.2106 13.3761 13.3761 k = 0.3333 0.5774 0.0141 ( 5445 PWs) bands (ev): -3.0990 -3.0981 -3.0114 -3.0021 -3.0017 -2.9845 0.0253 0.0812 0.1084 0.1347 0.3477 0.3520 0.3619 0.4392 0.5687 0.5861 0.6447 0.6499 1.3766 1.4551 1.5397 1.5787 1.9069 1.9086 1.9431 1.9526 2.0749 2.1147 2.1175 2.1204 2.3370 2.3435 2.4449 2.4659 2.4922 2.4937 3.1516 3.2243 3.2917 3.3107 3.4685 3.4747 4.2409 4.2528 5.3933 5.4096 5.5323 5.5838 6.6260 6.6485 7.0648 7.2579 7.2999 7.5192 8.9597 8.9878 10.1178 10.3308 10.3771 10.5091 13.0012 13.2029 13.3243 13.4136 k = 0.3333 0.5774 0.0281 ( 5448 PWs) bands (ev): -3.0992 -3.0973 -3.0163 -3.0052 -2.9969 -2.9817 0.0214 0.0680 0.1223 0.1398 0.3452 0.3537 0.3617 0.4410 0.5592 0.5939 0.6413 0.6518 1.3701 1.4656 1.5204 1.5981 1.9063 1.9095 1.9390 1.9576 2.0741 2.1122 2.1172 2.1234 2.3330 2.3458 2.4424 2.4669 2.4860 2.4887 3.1245 3.1917 3.3254 3.3405 3.4684 3.4808 4.2512 4.2748 5.3549 5.3572 5.5990 5.6323 6.5878 6.6314 6.9579 7.1831 7.3410 7.6090 8.9815 9.0361 10.0741 10.3245 10.3997 10.5846 12.9791 13.1800 13.2610 13.4325 k = 0.3333 0.5774 0.0422 ( 5439 PWs) bands (ev): -3.0991 -3.0963 -3.0211 -3.0091 -2.9923 -2.9784 0.0158 0.0553 0.1363 0.1475 0.3425 0.3551 0.3614 0.4439 0.5491 0.6010 0.6374 0.6533 1.3619 1.4803 1.5014 1.6174 1.9059 1.9099 1.9358 1.9628 2.0728 2.1103 2.1168 2.1261 2.3284 2.3474 2.4388 2.4680 2.4770 2.4798 3.0925 3.1601 3.3581 3.3769 3.4704 3.4892 4.2722 4.3069 5.3053 5.3183 5.6686 5.6917 6.5343 6.5966 6.8459 7.0605 7.4130 7.6860 9.0258 9.1048 10.0364 10.2834 10.4797 10.6638 12.9437 13.1423 13.1883 13.4288 k = 0.3333 0.5774 0.0562 ( 5439 PWs) bands (ev): -3.0989 -3.0951 -3.0260 -3.0134 -2.9878 -2.9750 0.0090 0.0430 0.1503 0.1570 0.3397 0.3562 0.3611 0.4478 0.5385 0.6075 0.6330 0.6544 1.3534 1.4829 1.4979 1.6363 1.9055 1.9091 1.9345 1.9680 2.0710 2.1089 2.1162 2.1283 2.3235 2.3480 2.4344 2.4660 2.4676 2.4688 3.0599 3.1299 3.3888 3.4152 3.4744 3.5003 4.3034 4.3485 5.2616 5.2824 5.7403 5.7566 6.4680 6.5465 6.7302 6.9341 7.4727 7.7470 9.0905 9.1909 10.0127 10.2553 10.5627 10.7444 12.8973 13.0909 13.1079 13.4000 k = 0.3333 0.5774 0.0703 ( 5445 PWs) bands (ev): -3.0984 -3.0937 -3.0307 -3.0179 -2.9834 -2.9716 0.0018 0.0314 0.1641 0.1679 0.3367 0.3569 0.3610 0.4527 0.5275 0.6134 0.6279 0.6551 1.3454 1.4649 1.5175 1.6547 1.9052 1.9063 1.9356 1.9733 2.0687 2.1081 2.1155 2.1297 2.3180 2.3476 2.4295 2.4527 2.4543 2.4691 3.0287 3.1012 3.4166 3.4532 3.4804 3.5144 4.3442 4.3990 5.2244 5.2518 5.8133 5.8246 6.3917 6.4839 6.6118 6.8055 7.5189 7.7899 9.1726 9.2917 10.0066 10.2413 10.6443 10.8242 12.8427 13.0218 13.0273 13.3453 k = 0.3333 0.5774 0.0844 ( 5451 PWs) bands (ev): -3.0977 -3.0921 -3.0354 -3.0225 -2.9793 -2.9684 -0.0055 0.0203 0.1777 0.1796 0.3336 0.3572 0.3610 0.4583 0.5161 0.6186 0.6224 0.6556 1.3382 1.4476 1.5388 1.6726 1.9019 1.9045 1.9389 1.9785 2.0659 2.1080 2.1145 2.1300 2.3121 2.3458 2.4240 2.4355 2.4432 2.4687 2.9999 3.0740 3.4407 3.4883 3.4894 3.5315 4.3940 4.4577 5.1943 5.2280 5.8866 5.8944 6.3081 6.4121 6.4920 6.6757 7.5513 7.8139 9.2693 9.4044 10.0194 10.2421 10.7209 10.9008 12.7829 12.9322 12.9540 13.2655 k = 0.3333 0.5774 0.0984 ( 5451 PWs) bands (ev): -3.0968 -3.0903 -3.0400 -3.0271 -2.9754 -2.9654 -0.0126 0.0100 0.1910 0.1919 0.3304 0.3571 0.3615 0.4647 0.5044 0.6162 0.6232 0.6558 1.3320 1.4312 1.5615 1.6898 1.8961 1.9033 1.9440 1.9836 2.0627 2.1085 2.1134 2.1290 2.3057 2.3427 2.4170 2.4180 2.4337 2.4675 2.9741 3.0484 3.4612 3.4980 3.5227 3.5508 4.4518 4.5238 5.1721 5.2119 5.9581 5.9647 6.2192 6.3351 6.3716 6.5460 7.5701 7.8192 9.3776 9.5268 10.0509 10.2574 10.7890 10.9711 12.7212 12.8421 12.8741 13.1643 k = 0.3333 0.5774 0.1125 ( 5463 PWs) bands (ev): -3.0957 -3.0882 -3.0444 -3.0316 -2.9717 -2.9627 -0.0193 0.0004 0.2039 0.2043 0.3270 0.3565 0.3624 0.4718 0.4924 0.6095 0.6273 0.6558 1.3269 1.4156 1.5853 1.7063 1.8896 1.9012 1.9504 1.9885 2.0591 2.1096 2.1121 2.1265 2.2988 2.3387 2.3979 2.4115 2.4267 2.4655 2.9517 3.0245 3.4790 3.5093 3.5523 3.5706 4.5170 4.5967 5.1583 5.2043 6.0225 6.0339 6.1269 6.2516 6.2597 6.4179 7.5763 7.8075 9.4949 9.6566 10.0992 10.2861 10.8445 11.0315 12.6605 12.7551 12.7922 13.0487 k = 0.3333 0.5774 0.1265 ( 5454 PWs) bands (ev): -3.0944 -3.0860 -3.0487 -3.0362 -2.9683 -2.9604 -0.0253 -0.0083 0.2161 0.2167 0.3234 0.3554 0.3639 0.4793 0.4803 0.6023 0.6308 0.6556 1.3231 1.4010 1.6102 1.7219 1.8823 1.8975 1.9579 1.9932 2.0552 2.1106 2.1112 2.1226 2.2911 2.3346 2.3792 2.4046 2.4223 2.4626 2.9329 3.0023 3.4949 3.5219 3.5773 3.5894 4.5887 4.6757 5.1533 5.2058 6.0327 6.0571 6.0974 6.1333 6.2096 6.2956 7.5717 7.7814 9.6190 9.7921 10.1611 10.3263 10.8836 11.0779 12.6010 12.6758 12.7155 12.9257 k = 0.3333 0.5774 0.1406 ( 5463 PWs) bands (ev): -3.0929 -3.0836 -3.0527 -3.0406 -2.9652 -2.9583 -0.0305 -0.0162 0.2276 0.2290 0.3196 0.3540 0.3662 0.4681 0.4874 0.5946 0.6337 0.6554 1.3204 1.3874 1.6359 1.7366 1.8746 1.8919 1.9662 1.9976 2.0510 2.1090 2.1131 2.1177 2.2827 2.3315 2.3617 2.3973 2.4201 2.4591 2.9179 2.9820 3.5096 3.5355 3.5974 3.6057 4.6661 4.7602 5.1571 5.2165 5.9374 6.0181 6.0192 6.1140 6.2197 6.2279 7.5588 7.7444 9.7476 9.9314 10.2323 10.3751 10.9024 11.1054 12.5380 12.6094 12.6565 12.8010 k = 0.3333 0.5774 0.1547 ( 5472 PWs) bands (ev): -3.0914 -3.0809 -3.0565 -3.0450 -2.9625 -2.9567 -0.0349 -0.0231 0.2381 0.2408 0.3156 0.3521 0.3693 0.4559 0.4959 0.5865 0.6362 0.6550 1.3190 1.3750 1.6623 1.7504 1.8665 1.8835 1.9750 2.0018 2.0464 2.1073 2.1125 2.1151 2.2734 2.3299 2.3465 2.3896 2.4197 2.4550 2.9066 2.9634 3.5233 3.5498 3.6122 3.6189 4.7484 4.8495 5.1694 5.2362 5.8416 5.9084 5.9435 6.0171 6.2565 6.2799 7.5407 7.7000 9.8788 10.0730 10.3077 10.4290 10.8983 11.1095 12.4687 12.5607 12.6253 12.6796 k = 0.3333 0.5774 0.1687 ( 5472 PWs) bands (ev): -3.0897 -3.0781 -3.0601 -3.0493 -2.9601 -2.9554 -0.0384 -0.0290 0.2475 0.2521 0.3112 0.3501 0.3733 0.4439 0.5046 0.5780 0.6382 0.6546 1.3188 1.3637 1.6891 1.7633 1.8582 1.8720 1.9836 2.0058 2.0418 2.1055 2.1077 2.1171 2.2635 2.3304 2.3341 2.3815 2.4206 2.4505 2.8991 2.9468 3.5358 3.5642 3.6217 3.6287 4.8346 4.9428 5.1887 5.2638 5.7456 5.8072 5.8610 5.9009 6.3110 6.3340 7.5210 7.6523 10.0104 10.2152 10.3817 10.4841 10.8706 11.0870 12.3997 12.5335 12.5660 12.6211 k = 0.3333 0.5774 0.1828 ( 5466 PWs) bands (ev): -3.0879 -3.0751 -3.0632 -3.0534 -2.9581 -2.9545 -0.0410 -0.0339 0.2554 0.2626 0.3065 0.3480 0.3785 0.4323 0.5137 0.5692 0.6397 0.6543 1.3200 1.3537 1.7161 1.7750 1.8499 1.8570 1.9917 2.0098 2.0370 2.1038 2.1039 2.1188 2.2539 2.3247 2.3328 2.3732 2.4225 2.4458 2.8950 2.9323 3.5468 3.5785 3.6261 3.6351 4.9232 5.0389 5.2116 5.2967 5.6523 5.7169 5.7801 5.7882 6.3610 6.3810 7.5038 7.6050 10.1403 10.3562 10.4474 10.5355 10.8212 11.0373 12.3402 12.4648 12.5287 12.6393 k = 0.3333 0.5774 0.1969 ( 5451 PWs) bands (ev): -3.0863 -3.0719 -3.0658 -3.0574 -2.9564 -2.9541 -0.0425 -0.0378 0.2615 0.2721 0.3012 0.3461 0.3848 0.4211 0.5229 0.5602 0.6409 0.6540 1.3224 1.3449 1.7429 1.7853 1.8388 1.8419 1.9983 2.0139 2.0321 2.1014 2.1022 2.1202 2.2456 2.3184 2.3369 2.3649 2.4252 2.4411 2.8943 2.9198 3.5556 3.5920 3.6260 3.6388 5.0120 5.1360 5.2302 5.3286 5.5711 5.6392 5.6872 5.7049 6.4016 6.4167 7.4930 7.5622 10.2653 10.4939 10.4960 10.5789 10.7557 10.9628 12.2976 12.3811 12.5440 12.6756 k = 0.3333 0.5774 0.2109 ( 5430 PWs) bands (ev): -3.0851 -3.0685 -3.0677 -3.0613 -2.9552 -2.9540 -0.0429 -0.0405 0.2654 0.2808 0.2952 0.3448 0.3923 0.4106 0.5322 0.5510 0.6415 0.6538 1.3261 1.3373 1.7691 1.7932 1.8177 1.8354 2.0027 2.0182 2.0273 2.1002 2.1009 2.1211 2.2399 2.3147 2.3426 2.3569 2.4285 2.4366 2.8966 2.9096 3.5613 3.6041 3.6218 3.6406 5.0955 5.2280 5.2293 5.3415 5.5198 5.5782 5.6158 5.6412 6.4294 6.4376 7.4921 7.5273 10.3802 10.5125 10.6118 10.6252 10.6871 10.8682 12.2777 12.3197 12.5737 12.7025 k = 0.3333 0.5774 0.2250 ( 5436 PWs) bands (ev): -3.0847 -3.0683 -3.0650 -3.0650 -2.9544 -2.9544 -0.0423 -0.0423 0.2667 0.2884 0.2884 0.3443 0.4009 0.4009 0.5416 0.5416 0.6418 0.6537 1.3311 1.3311 1.7942 1.7942 1.7964 1.8326 2.0043 2.0226 2.0227 2.1001 2.1002 2.1214 2.2379 2.3135 2.3493 2.3493 2.4323 2.4324 2.9018 2.9018 3.5633 3.6143 3.6143 3.6410 5.1466 5.2065 5.3066 5.3066 5.5077 5.5502 5.6025 5.6025 6.4419 6.4419 7.5035 7.5035 10.4721 10.4721 10.6401 10.6401 10.7253 10.7801 12.2847 12.2847 12.5968 12.6698 Writing output data file HgTe.save init_run : 0.88s CPU 1.16s WALL ( 1 calls) electrons : 788.95s CPU 795.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.06s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 788.94s CPU 795.38s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.39s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 283 calls) cegterg : 762.82s CPU 768.79s WALL ( 858 calls) Called by sum_band: Called by *egterg: h_psi : 418.62s CPU 429.77s WALL ( 16132 calls) s_psi : 47.20s CPU 47.47s WALL ( 16132 calls) g_psi : 1.05s CPU 1.05s WALL ( 14991 calls) cdiaghg : 208.54s CPU 202.77s WALL ( 15274 calls) cegterg:over : 42.48s CPU 40.17s WALL ( 14991 calls) cegterg:upda : 17.10s CPU 21.18s WALL ( 14991 calls) cegterg:last : 17.02s CPU 18.19s WALL ( 2786 calls) Called by h_psi: h_psi:vloc : 361.63s CPU 367.00s WALL ( 16132 calls) h_psi:vnl : 56.75s CPU 62.05s WALL ( 16132 calls) add_vuspsi : 29.58s CPU 33.58s WALL ( 16132 calls) General routines calbec : 27.15s CPU 28.42s WALL ( 16132 calls) fft : 0.04s CPU 0.07s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 356.36s CPU 345.28s WALL ( 2071804 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.14s WALL ( 566 calls) Parallel routines fft_scatter : 333.75s CPU 232.26s WALL ( 2071827 calls) PWSCF : 13m38.66s CPU 13m54.26s WALL This run was terminated on: 14:54:58 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=