Program PWSCF v.5.1.1 starts on 27Jul2015 at 14:13:42 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 61 25 7 5031 1327 209 Max 62 26 8 5039 1356 216 Sum 1957 817 241 161163 42907 6823 bravais-lattice index = 14 lattice parameter (alat) = 8.2808 a.u. unit-cell volume = 1125.3464 (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)= 8.280779 celldm(2)= 1.000000 celldm(3)= 2.288453 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 2.288453 ) 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 0.436976 ) 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= 285 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0035088 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0035088 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0035088 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0035088 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0035088 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0035088 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0035088 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0035088 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0035088 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0035088 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0035088 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0035088 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0035088 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0035088 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0035088 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0035088 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0035088 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0035088 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0035088 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0035088 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0035088 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0035088 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0035088 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0035088 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0035088 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0035088 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0035088 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0035088 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0035088 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0035088 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0035088 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0035088 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0035088 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0035088 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0035088 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0035088 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0035088 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0035088 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0035088 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0035088 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0035088 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035088 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035088 k( 45) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0035088 k( 46) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0035088 k( 47) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0035088 k( 48) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0035088 k( 49) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0035088 k( 50) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0035088 k( 51) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0035088 k( 52) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0035088 k( 53) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0035088 k( 54) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0035088 k( 55) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0035088 k( 56) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0035088 k( 57) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0035088 k( 58) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0035088 k( 59) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0035088 k( 60) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0035088 k( 61) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0035088 k( 62) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0035088 k( 63) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0035088 k( 64) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0035088 k( 65) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0035088 k( 66) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0035088 k( 67) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0035088 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035088 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035088 k( 70) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0035088 k( 71) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0035088 k( 72) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0035088 k( 73) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0035088 k( 74) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0035088 k( 75) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0035088 k( 76) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0035088 k( 77) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0035088 k( 78) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0035088 k( 79) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0035088 k( 80) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0035088 k( 81) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0035088 k( 82) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0035088 k( 83) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0035088 k( 84) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0035088 k( 85) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0035088 k( 86) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0035088 k( 87) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0035088 k( 88) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0035088 k( 89) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0035088 k( 90) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0035088 k( 91) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0035088 k( 92) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0035088 k( 93) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0035088 k( 94) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0035088 k( 95) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0035088 k( 96) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0035088 k( 97) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0035088 k( 98) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0035088 k( 99) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0035088 k( 100) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0035088 k( 101) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0035088 k( 102) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0035088 k( 103) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0035088 k( 104) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0035088 k( 105) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0035088 k( 106) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0035088 k( 107) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0035088 k( 108) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0035088 k( 109) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0035088 k( 110) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0035088 k( 111) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0035088 k( 112) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0035088 k( 113) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0035088 k( 114) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0035088 k( 115) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0035088 k( 116) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0035088 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 119) = ( 0.0000000 0.0000000 0.0136555), wk = 0.0035088 k( 120) = ( 0.0000000 0.0000000 0.0273110), wk = 0.0035088 k( 121) = ( 0.0000000 0.0000000 0.0409665), wk = 0.0035088 k( 122) = ( 0.0000000 0.0000000 0.0546221), wk = 0.0035088 k( 123) = ( 0.0000000 0.0000000 0.0682776), wk = 0.0035088 k( 124) = ( 0.0000000 0.0000000 0.0819331), wk = 0.0035088 k( 125) = ( 0.0000000 0.0000000 0.0955886), wk = 0.0035088 k( 126) = ( 0.0000000 0.0000000 0.1092441), wk = 0.0035088 k( 127) = ( 0.0000000 0.0000000 0.1228996), wk = 0.0035088 k( 128) = ( 0.0000000 0.0000000 0.1365551), wk = 0.0035088 k( 129) = ( 0.0000000 0.0000000 0.1502107), wk = 0.0035088 k( 130) = ( 0.0000000 0.0000000 0.1638662), wk = 0.0035088 k( 131) = ( 0.0000000 0.0000000 0.1775217), wk = 0.0035088 k( 132) = ( 0.0000000 0.0000000 0.1911772), wk = 0.0035088 k( 133) = ( 0.0000000 0.0000000 0.2048327), wk = 0.0035088 k( 134) = ( 0.0000000 0.0000000 0.2184882), wk = 0.0035088 k( 135) = ( 0.0000000 0.0000000 0.2184882), wk = 0.0035088 k( 136) = ( 0.0119048 0.0068732 0.2184882), wk = 0.0035088 k( 137) = ( 0.0238095 0.0137464 0.2184882), wk = 0.0035088 k( 138) = ( 0.0357143 0.0206197 0.2184882), wk = 0.0035088 k( 139) = ( 0.0476191 0.0274929 0.2184882), wk = 0.0035088 k( 140) = ( 0.0595238 0.0343661 0.2184882), wk = 0.0035088 k( 141) = ( 0.0714286 0.0412393 0.2184882), wk = 0.0035088 k( 142) = ( 0.0833333 0.0481125 0.2184882), wk = 0.0035088 k( 143) = ( 0.0952381 0.0549857 0.2184882), wk = 0.0035088 k( 144) = ( 0.1071429 0.0618590 0.2184882), wk = 0.0035088 k( 145) = ( 0.1190476 0.0687322 0.2184882), wk = 0.0035088 k( 146) = ( 0.1309524 0.0756054 0.2184882), wk = 0.0035088 k( 147) = ( 0.1428571 0.0824786 0.2184882), wk = 0.0035088 k( 148) = ( 0.1547619 0.0893518 0.2184882), wk = 0.0035088 k( 149) = ( 0.1666667 0.0962250 0.2184882), wk = 0.0035088 k( 150) = ( 0.1785714 0.1030983 0.2184882), wk = 0.0035088 k( 151) = ( 0.1904762 0.1099715 0.2184882), wk = 0.0035088 k( 152) = ( 0.2023810 0.1168447 0.2184882), wk = 0.0035088 k( 153) = ( 0.2142857 0.1237179 0.2184882), wk = 0.0035088 k( 154) = ( 0.2261905 0.1305911 0.2184882), wk = 0.0035088 k( 155) = ( 0.2380952 0.1374644 0.2184882), wk = 0.0035088 k( 156) = ( 0.2500000 0.1443376 0.2184882), wk = 0.0035088 k( 157) = ( 0.2619048 0.1512108 0.2184882), wk = 0.0035088 k( 158) = ( 0.2738095 0.1580840 0.2184882), wk = 0.0035088 k( 159) = ( 0.2857143 0.1649572 0.2184882), wk = 0.0035088 k( 160) = ( 0.2976190 0.1718304 0.2184882), wk = 0.0035088 k( 161) = ( 0.3095238 0.1787037 0.2184882), wk = 0.0035088 k( 162) = ( 0.3214286 0.1855769 0.2184882), wk = 0.0035088 k( 163) = ( 0.3333333 0.1924501 0.2184882), wk = 0.0035088 k( 164) = ( 0.3452381 0.1993233 0.2184882), wk = 0.0035088 k( 165) = ( 0.3571429 0.2061965 0.2184882), wk = 0.0035088 k( 166) = ( 0.3690476 0.2130697 0.2184882), wk = 0.0035088 k( 167) = ( 0.3809524 0.2199430 0.2184882), wk = 0.0035088 k( 168) = ( 0.3928571 0.2268162 0.2184882), wk = 0.0035088 k( 169) = ( 0.4047619 0.2336894 0.2184882), wk = 0.0035088 k( 170) = ( 0.4166667 0.2405626 0.2184882), wk = 0.0035088 k( 171) = ( 0.4285714 0.2474358 0.2184882), wk = 0.0035088 k( 172) = ( 0.4404762 0.2543090 0.2184882), wk = 0.0035088 k( 173) = ( 0.4523810 0.2611823 0.2184882), wk = 0.0035088 k( 174) = ( 0.4642857 0.2680555 0.2184882), wk = 0.0035088 k( 175) = ( 0.4761905 0.2749287 0.2184882), wk = 0.0035088 k( 176) = ( 0.4880952 0.2818019 0.2184882), wk = 0.0035088 k( 177) = ( 0.5000000 0.2886751 0.2184882), wk = 0.0035088 k( 178) = ( 0.5000000 0.2886751 0.2184882), wk = 0.0035088 k( 179) = ( 0.4930556 0.3007033 0.2184882), wk = 0.0035088 k( 180) = ( 0.4861111 0.3127314 0.2184882), wk = 0.0035088 k( 181) = ( 0.4791667 0.3247595 0.2184882), wk = 0.0035088 k( 182) = ( 0.4722222 0.3367877 0.2184882), wk = 0.0035088 k( 183) = ( 0.4652778 0.3488158 0.2184882), wk = 0.0035088 k( 184) = ( 0.4583333 0.3608439 0.2184882), wk = 0.0035088 k( 185) = ( 0.4513889 0.3728720 0.2184882), wk = 0.0035088 k( 186) = ( 0.4444444 0.3849002 0.2184882), wk = 0.0035088 k( 187) = ( 0.4375000 0.3969283 0.2184882), wk = 0.0035088 k( 188) = ( 0.4305556 0.4089564 0.2184882), wk = 0.0035088 k( 189) = ( 0.4236111 0.4209846 0.2184882), wk = 0.0035088 k( 190) = ( 0.4166667 0.4330127 0.2184882), wk = 0.0035088 k( 191) = ( 0.4097222 0.4450408 0.2184882), wk = 0.0035088 k( 192) = ( 0.4027778 0.4570690 0.2184882), wk = 0.0035088 k( 193) = ( 0.3958333 0.4690971 0.2184882), wk = 0.0035088 k( 194) = ( 0.3888889 0.4811252 0.2184882), wk = 0.0035088 k( 195) = ( 0.3819444 0.4931534 0.2184882), wk = 0.0035088 k( 196) = ( 0.3750000 0.5051815 0.2184882), wk = 0.0035088 k( 197) = ( 0.3680556 0.5172096 0.2184882), wk = 0.0035088 k( 198) = ( 0.3611111 0.5292377 0.2184882), wk = 0.0035088 k( 199) = ( 0.3541667 0.5412659 0.2184882), wk = 0.0035088 k( 200) = ( 0.3472222 0.5532940 0.2184882), wk = 0.0035088 k( 201) = ( 0.3402778 0.5653221 0.2184882), wk = 0.0035088 k( 202) = ( 0.3333333 0.5773503 0.2184882), wk = 0.0035088 k( 203) = ( 0.3333333 0.5773503 0.2184882), wk = 0.0035088 k( 204) = ( 0.3263889 0.5653221 0.2184882), wk = 0.0035088 k( 205) = ( 0.3194444 0.5532940 0.2184882), wk = 0.0035088 k( 206) = ( 0.3125000 0.5412659 0.2184882), wk = 0.0035088 k( 207) = ( 0.3055556 0.5292378 0.2184882), wk = 0.0035088 k( 208) = ( 0.2986111 0.5172096 0.2184882), wk = 0.0035088 k( 209) = ( 0.2916667 0.5051815 0.2184882), wk = 0.0035088 k( 210) = ( 0.2847222 0.4931534 0.2184882), wk = 0.0035088 k( 211) = ( 0.2777778 0.4811252 0.2184882), wk = 0.0035088 k( 212) = ( 0.2708333 0.4690971 0.2184882), wk = 0.0035088 k( 213) = ( 0.2638889 0.4570690 0.2184882), wk = 0.0035088 k( 214) = ( 0.2569444 0.4450408 0.2184882), wk = 0.0035088 k( 215) = ( 0.2500000 0.4330127 0.2184882), wk = 0.0035088 k( 216) = ( 0.2430556 0.4209846 0.2184882), wk = 0.0035088 k( 217) = ( 0.2361111 0.4089564 0.2184882), wk = 0.0035088 k( 218) = ( 0.2291667 0.3969283 0.2184882), wk = 0.0035088 k( 219) = ( 0.2222222 0.3849002 0.2184882), wk = 0.0035088 k( 220) = ( 0.2152778 0.3728721 0.2184882), wk = 0.0035088 k( 221) = ( 0.2083333 0.3608439 0.2184882), wk = 0.0035088 k( 222) = ( 0.2013889 0.3488158 0.2184882), wk = 0.0035088 k( 223) = ( 0.1944444 0.3367876 0.2184882), wk = 0.0035088 k( 224) = ( 0.1875000 0.3247595 0.2184882), wk = 0.0035088 k( 225) = ( 0.1805556 0.3127314 0.2184882), wk = 0.0035088 k( 226) = ( 0.1736111 0.3007033 0.2184882), wk = 0.0035088 k( 227) = ( 0.1666667 0.2886751 0.2184882), wk = 0.0035088 k( 228) = ( 0.1597222 0.2766470 0.2184882), wk = 0.0035088 k( 229) = ( 0.1527778 0.2646189 0.2184882), wk = 0.0035088 k( 230) = ( 0.1458333 0.2525907 0.2184882), wk = 0.0035088 k( 231) = ( 0.1388889 0.2405626 0.2184882), wk = 0.0035088 k( 232) = ( 0.1319444 0.2285345 0.2184882), wk = 0.0035088 k( 233) = ( 0.1250000 0.2165064 0.2184882), wk = 0.0035088 k( 234) = ( 0.1180556 0.2044782 0.2184882), wk = 0.0035088 k( 235) = ( 0.1111111 0.1924501 0.2184882), wk = 0.0035088 k( 236) = ( 0.1041667 0.1804220 0.2184882), wk = 0.0035088 k( 237) = ( 0.0972222 0.1683938 0.2184882), wk = 0.0035088 k( 238) = ( 0.0902778 0.1563657 0.2184882), wk = 0.0035088 k( 239) = ( 0.0833333 0.1443376 0.2184882), wk = 0.0035088 k( 240) = ( 0.0763889 0.1323094 0.2184882), wk = 0.0035088 k( 241) = ( 0.0694444 0.1202813 0.2184882), wk = 0.0035088 k( 242) = ( 0.0625000 0.1082532 0.2184882), wk = 0.0035088 k( 243) = ( 0.0555556 0.0962251 0.2184882), wk = 0.0035088 k( 244) = ( 0.0486111 0.0841969 0.2184882), wk = 0.0035088 k( 245) = ( 0.0416667 0.0721688 0.2184882), wk = 0.0035088 k( 246) = ( 0.0347222 0.0601406 0.2184882), wk = 0.0035088 k( 247) = ( 0.0277778 0.0481125 0.2184882), wk = 0.0035088 k( 248) = ( 0.0208333 0.0360844 0.2184882), wk = 0.0035088 k( 249) = ( 0.0138889 0.0240563 0.2184882), wk = 0.0035088 k( 250) = ( 0.0069444 0.0120281 0.2184882), wk = 0.0035088 k( 251) = ( 0.0000000 0.0000000 0.2184882), wk = 0.0035088 k( 252) = ( 0.5000000 0.2886751 0.2184882), wk = 0.0035088 k( 253) = ( 0.5000000 0.2886751 0.2048327), wk = 0.0035088 k( 254) = ( 0.5000000 0.2886751 0.1911772), wk = 0.0035088 k( 255) = ( 0.5000000 0.2886751 0.1775217), wk = 0.0035088 k( 256) = ( 0.5000000 0.2886751 0.1638662), wk = 0.0035088 k( 257) = ( 0.5000000 0.2886751 0.1502107), wk = 0.0035088 k( 258) = ( 0.5000000 0.2886751 0.1365551), wk = 0.0035088 k( 259) = ( 0.5000000 0.2886751 0.1228996), wk = 0.0035088 k( 260) = ( 0.5000000 0.2886751 0.1092441), wk = 0.0035088 k( 261) = ( 0.5000000 0.2886751 0.0955886), wk = 0.0035088 k( 262) = ( 0.5000000 0.2886751 0.0819331), wk = 0.0035088 k( 263) = ( 0.5000000 0.2886751 0.0682776), wk = 0.0035088 k( 264) = ( 0.5000000 0.2886751 0.0546221), wk = 0.0035088 k( 265) = ( 0.5000000 0.2886751 0.0409665), wk = 0.0035088 k( 266) = ( 0.5000000 0.2886751 0.0273110), wk = 0.0035088 k( 267) = ( 0.5000000 0.2886751 0.0136555), wk = 0.0035088 k( 268) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035088 k( 269) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035088 k( 270) = ( 0.3333333 0.5773503 0.0136555), wk = 0.0035088 k( 271) = ( 0.3333333 0.5773503 0.0273110), wk = 0.0035088 k( 272) = ( 0.3333333 0.5773503 0.0409665), wk = 0.0035088 k( 273) = ( 0.3333333 0.5773503 0.0546221), wk = 0.0035088 k( 274) = ( 0.3333333 0.5773503 0.0682776), wk = 0.0035088 k( 275) = ( 0.3333333 0.5773503 0.0819331), wk = 0.0035088 k( 276) = ( 0.3333333 0.5773503 0.0955886), wk = 0.0035088 k( 277) = ( 0.3333333 0.5773503 0.1092441), wk = 0.0035088 k( 278) = ( 0.3333333 0.5773503 0.1228996), wk = 0.0035088 k( 279) = ( 0.3333333 0.5773503 0.1365551), wk = 0.0035088 k( 280) = ( 0.3333333 0.5773503 0.1502107), wk = 0.0035088 k( 281) = ( 0.3333333 0.5773503 0.1638662), wk = 0.0035088 k( 282) = ( 0.3333333 0.5773503 0.1775217), wk = 0.0035088 k( 283) = ( 0.3333333 0.5773503 0.1911772), wk = 0.0035088 k( 284) = ( 0.3333333 0.5773503 0.2048327), wk = 0.0035088 k( 285) = ( 0.3333333 0.5773503 0.2184882), wk = 0.0035088 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0035088 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0035088 k( 4) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0035088 k( 5) = ( 0.0476191 0.0000000 -0.0000000), wk = 0.0035088 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0035088 k( 7) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0035088 k( 8) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0035088 k( 9) = ( 0.0952381 0.0000000 -0.0000000), wk = 0.0035088 k( 10) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0035088 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0035088 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0035088 k( 13) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0035088 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0035088 k( 15) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0035088 k( 16) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0035088 k( 17) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0035088 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0035088 k( 19) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0035088 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0035088 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0035088 k( 22) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0035088 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0035088 k( 24) = ( 0.2738095 -0.0000000 0.0000000), wk = 0.0035088 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0035088 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0035088 k( 27) = ( 0.3095238 -0.0000000 0.0000000), wk = 0.0035088 k( 28) = ( 0.3214286 0.0000000 -0.0000000), wk = 0.0035088 k( 29) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0035088 k( 30) = ( 0.3452381 0.0000000 0.0000000), wk = 0.0035088 k( 31) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0035088 k( 32) = ( 0.3690476 0.0000000 -0.0000000), wk = 0.0035088 k( 33) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0035088 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0035088 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0035088 k( 36) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0035088 k( 37) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0035088 k( 38) = ( 0.4404762 0.0000000 0.0000000), wk = 0.0035088 k( 39) = ( 0.4523810 0.0000000 -0.0000000), wk = 0.0035088 k( 40) = ( 0.4642857 0.0000000 -0.0000000), wk = 0.0035088 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0035088 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0035088 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035088 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035088 k( 45) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0035088 k( 46) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0035088 k( 47) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0035088 k( 48) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0035088 k( 49) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0035088 k( 50) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0035088 k( 51) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0035088 k( 52) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0035088 k( 53) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0035088 k( 54) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0035088 k( 55) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0035088 k( 56) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0035088 k( 57) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0035088 k( 58) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0035088 k( 59) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0035088 k( 60) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0035088 k( 61) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0035088 k( 62) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0035088 k( 63) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0035088 k( 64) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0035088 k( 65) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0035088 k( 66) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0035088 k( 67) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0035088 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035088 k( 69) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035088 k( 70) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0035088 k( 71) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0035088 k( 72) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0035088 k( 73) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0035088 k( 74) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0035088 k( 75) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0035088 k( 76) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0035088 k( 77) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0035088 k( 78) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0035088 k( 79) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0035088 k( 80) = ( 0.2569444 0.2569444 0.0000000), wk = 0.0035088 k( 81) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0035088 k( 82) = ( 0.2430556 0.2430556 0.0000000), wk = 0.0035088 k( 83) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0035088 k( 84) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0035088 k( 85) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0035088 k( 86) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0035088 k( 87) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0035088 k( 88) = ( 0.2013889 0.2013889 -0.0000000), wk = 0.0035088 k( 89) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0035088 k( 90) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0035088 k( 91) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0035088 k( 92) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0035088 k( 93) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0035088 k( 94) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0035088 k( 95) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0035088 k( 96) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0035088 k( 97) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0035088 k( 98) = ( 0.1319444 0.1319444 -0.0000000), wk = 0.0035088 k( 99) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0035088 k( 100) = ( 0.1180556 0.1180556 0.0000000), wk = 0.0035088 k( 101) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0035088 k( 102) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0035088 k( 103) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0035088 k( 104) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0035088 k( 105) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0035088 k( 106) = ( 0.0763889 0.0763889 -0.0000000), wk = 0.0035088 k( 107) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0035088 k( 108) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0035088 k( 109) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0035088 k( 110) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0035088 k( 111) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0035088 k( 112) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0035088 k( 113) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0035088 k( 114) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0035088 k( 115) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0035088 k( 116) = ( 0.0069444 0.0069444 -0.0000000), wk = 0.0035088 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 119) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0035088 k( 120) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0035088 k( 121) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0035088 k( 122) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035088 k( 123) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0035088 k( 124) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0035088 k( 125) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0035088 k( 126) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035088 k( 127) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0035088 k( 128) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0035088 k( 129) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0035088 k( 130) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035088 k( 131) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0035088 k( 132) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0035088 k( 133) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0035088 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 136) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0035088 k( 137) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0035088 k( 138) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0035088 k( 139) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0035088 k( 140) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0035088 k( 141) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0035088 k( 142) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0035088 k( 143) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0035088 k( 144) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0035088 k( 145) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0035088 k( 146) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0035088 k( 147) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0035088 k( 148) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0035088 k( 149) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0035088 k( 150) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0035088 k( 151) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0035088 k( 152) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0035088 k( 153) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0035088 k( 154) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0035088 k( 155) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0035088 k( 156) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0035088 k( 157) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0035088 k( 158) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0035088 k( 159) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0035088 k( 160) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0035088 k( 161) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0035088 k( 162) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0035088 k( 163) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0035088 k( 164) = ( 0.3452381 0.0000000 0.5000000), wk = 0.0035088 k( 165) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0035088 k( 166) = ( 0.3690476 0.0000000 0.5000000), wk = 0.0035088 k( 167) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0035088 k( 168) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0035088 k( 169) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0035088 k( 170) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0035088 k( 171) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0035088 k( 172) = ( 0.4404762 0.0000000 0.5000000), wk = 0.0035088 k( 173) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0035088 k( 174) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0035088 k( 175) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0035088 k( 176) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0035088 k( 177) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035088 k( 178) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035088 k( 179) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0035088 k( 180) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0035088 k( 181) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0035088 k( 182) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0035088 k( 183) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0035088 k( 184) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0035088 k( 185) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0035088 k( 186) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0035088 k( 187) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0035088 k( 188) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0035088 k( 189) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0035088 k( 190) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0035088 k( 191) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0035088 k( 192) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0035088 k( 193) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0035088 k( 194) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0035088 k( 195) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0035088 k( 196) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0035088 k( 197) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0035088 k( 198) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0035088 k( 199) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0035088 k( 200) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0035088 k( 201) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0035088 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035088 k( 203) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035088 k( 204) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0035088 k( 205) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0035088 k( 206) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0035088 k( 207) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0035088 k( 208) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0035088 k( 209) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0035088 k( 210) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0035088 k( 211) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0035088 k( 212) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0035088 k( 213) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0035088 k( 214) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0035088 k( 215) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0035088 k( 216) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0035088 k( 217) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0035088 k( 218) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0035088 k( 219) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0035088 k( 220) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0035088 k( 221) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0035088 k( 222) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0035088 k( 223) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0035088 k( 224) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0035088 k( 225) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0035088 k( 226) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0035088 k( 227) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0035088 k( 228) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0035088 k( 229) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0035088 k( 230) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0035088 k( 231) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0035088 k( 232) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0035088 k( 233) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0035088 k( 234) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0035088 k( 235) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0035088 k( 236) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0035088 k( 237) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0035088 k( 238) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0035088 k( 239) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0035088 k( 240) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0035088 k( 241) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0035088 k( 242) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0035088 k( 243) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0035088 k( 244) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0035088 k( 245) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0035088 k( 246) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0035088 k( 247) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0035088 k( 248) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0035088 k( 249) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0035088 k( 250) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0035088 k( 251) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 252) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035088 k( 253) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0035088 k( 254) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0035088 k( 255) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0035088 k( 256) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0035088 k( 257) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0035088 k( 258) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0035088 k( 259) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0035088 k( 260) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0035088 k( 261) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0035088 k( 262) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0035088 k( 263) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0035088 k( 264) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0035088 k( 265) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0035088 k( 266) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0035088 k( 267) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0035088 k( 268) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035088 k( 269) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035088 k( 270) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0035088 k( 271) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0035088 k( 272) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0035088 k( 273) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0035088 k( 274) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0035088 k( 275) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0035088 k( 276) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0035088 k( 277) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0035088 k( 278) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0035088 k( 279) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0035088 k( 280) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0035088 k( 281) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0035088 k( 282) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0035088 k( 283) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0035088 k( 284) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0035088 k( 285) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035088 Dense grid: 161163 G-vectors FFT dimensions: ( 54, 54, 125) Smooth grid: 42907 G-vectors FFT dimensions: ( 36, 36, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 342, 64) NL pseudopotentials 0.53 Mb ( 171, 204) Each V/rho on FFT grid 0.18 Mb ( 11664) Each G-vector array 0.04 Mb ( 5037) G-vector shells 0.02 Mb ( 2408) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.34 Mb ( 342, 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 5.0 secs Computing kpt #: 2 total cpu time spent up to now is 7.2 secs Computing kpt #: 3 total cpu time spent up to now is 9.5 secs Computing kpt #: 4 total cpu time spent up to now is 11.6 secs Computing kpt #: 5 total cpu time spent up to now is 13.8 secs Computing kpt #: 6 total cpu time spent up to now is 15.9 secs Computing kpt #: 7 total cpu time spent up to now is 18.0 secs Computing kpt #: 8 total cpu time spent up to now is 20.1 secs Computing kpt #: 9 total cpu time spent up to now is 22.2 secs Computing kpt #: 10 total cpu time spent up to now is 24.3 secs Computing kpt #: 11 total cpu time spent up to now is 26.4 secs Computing kpt #: 12 total cpu time spent up to now is 28.5 secs Computing kpt #: 13 total cpu time spent up to now is 30.6 secs Computing kpt #: 14 total cpu time spent up to now is 32.8 secs Computing kpt #: 15 total cpu time spent up to now is 35.1 secs Computing kpt #: 16 total cpu time spent up to now is 37.5 secs Computing kpt #: 17 total cpu time spent up to now is 40.1 secs Computing kpt #: 18 total cpu time spent up to now is 42.9 secs Computing kpt #: 19 total cpu time spent up to now is 45.6 secs Computing kpt #: 20 total cpu time spent up to now is 48.4 secs Computing kpt #: 21 total cpu time spent up to now is 51.1 secs Computing kpt #: 22 total cpu time spent up to now is 53.8 secs Computing kpt #: 23 total cpu time spent up to now is 56.3 secs Computing kpt #: 24 total cpu time spent up to now is 58.8 secs Computing kpt #: 25 total cpu time spent up to now is 61.4 secs Computing kpt #: 26 total cpu time spent up to now is 63.9 secs Computing kpt #: 27 total cpu time spent up to now is 66.4 secs Computing kpt #: 28 total cpu time spent up to now is 68.8 secs Computing kpt #: 29 total cpu time spent up to now is 71.0 secs Computing kpt #: 30 total cpu time spent up to now is 73.2 secs Computing kpt #: 31 total cpu time spent up to now is 75.5 secs Computing kpt #: 32 total cpu time spent up to now is 77.8 secs Computing kpt #: 33 total cpu time spent up to now is 80.1 secs Computing kpt #: 34 total cpu time spent up to now is 82.3 secs Computing kpt #: 35 total cpu time spent up to now is 84.6 secs Computing kpt #: 36 total cpu time spent up to now is 86.9 secs Computing kpt #: 37 total cpu time spent up to now is 89.1 secs Computing kpt #: 38 total cpu time spent up to now is 91.4 secs Computing kpt #: 39 total cpu time spent up to now is 93.6 secs Computing kpt #: 40 total cpu time spent up to now is 95.8 secs Computing kpt #: 41 total cpu time spent up to now is 98.1 secs Computing kpt #: 42 total cpu time spent up to now is 100.3 secs Computing kpt #: 43 total cpu time spent up to now is 102.5 secs Computing kpt #: 44 total cpu time spent up to now is 104.7 secs Computing kpt #: 45 total cpu time spent up to now is 106.9 secs Computing kpt #: 46 total cpu time spent up to now is 109.1 secs Computing kpt #: 47 total cpu time spent up to now is 111.4 secs Computing kpt #: 48 total cpu time spent up to now is 113.7 secs Computing kpt #: 49 total cpu time spent up to now is 116.0 secs Computing kpt #: 50 total cpu time spent up to now is 118.2 secs Computing kpt #: 51 total cpu time spent up to now is 120.4 secs Computing kpt #: 52 total cpu time spent up to now is 122.6 secs Computing kpt #: 53 total cpu time spent up to now is 124.8 secs Computing kpt #: 54 total cpu time spent up to now is 127.0 secs Computing kpt #: 55 total cpu time spent up to now is 129.1 secs Computing kpt #: 56 total cpu time spent up to now is 131.3 secs Computing kpt #: 57 total cpu time spent up to now is 133.4 secs Computing kpt #: 58 total cpu time spent up to now is 135.6 secs Computing kpt #: 59 total cpu time spent up to now is 137.8 secs Computing kpt #: 60 total cpu time spent up to now is 139.9 secs Computing kpt #: 61 total cpu time spent up to now is 142.1 secs Computing kpt #: 62 total cpu time spent up to now is 144.3 secs Computing kpt #: 63 total cpu time spent up to now is 146.4 secs Computing kpt #: 64 total cpu time spent up to now is 148.6 secs Computing kpt #: 65 total cpu time spent up to now is 150.9 secs Computing kpt #: 66 total cpu time spent up to now is 153.2 secs Computing kpt #: 67 total cpu time spent up to now is 155.5 secs Computing kpt #: 68 total cpu time spent up to now is 157.9 secs Computing kpt #: 69 total cpu time spent up to now is 160.3 secs Computing kpt #: 70 total cpu time spent up to now is 162.6 secs Computing kpt #: 71 total cpu time spent up to now is 165.0 secs Computing kpt #: 72 total cpu time spent up to now is 167.3 secs Computing kpt #: 73 total cpu time spent up to now is 169.7 secs Computing kpt #: 74 total cpu time spent up to now is 172.1 secs Computing kpt #: 75 total cpu time spent up to now is 174.3 secs Computing kpt #: 76 total cpu time spent up to now is 176.6 secs Computing kpt #: 77 total cpu time spent up to now is 178.9 secs Computing kpt #: 78 total cpu time spent up to now is 181.2 secs Computing kpt #: 79 total cpu time spent up to now is 183.5 secs Computing kpt #: 80 total cpu time spent up to now is 185.7 secs Computing kpt #: 81 total cpu time spent up to now is 188.0 secs Computing kpt #: 82 total cpu time spent up to now is 190.5 secs Computing kpt #: 83 total cpu time spent up to now is 192.8 secs Computing kpt #: 84 total cpu time spent up to now is 195.3 secs Computing kpt #: 85 total cpu time spent up to now is 197.7 secs Computing kpt #: 86 total cpu time spent up to now is 200.4 secs Computing kpt #: 87 total cpu time spent up to now is 202.8 secs Computing kpt #: 88 total cpu time spent up to now is 205.2 secs Computing kpt #: 89 total cpu time spent up to now is 207.5 secs Computing kpt #: 90 total cpu time spent up to now is 209.8 secs Computing kpt #: 91 total cpu time spent up to now is 212.1 secs Computing kpt #: 92 total cpu time spent up to now is 214.3 secs Computing kpt #: 93 total cpu time spent up to now is 216.6 secs Computing kpt #: 94 total cpu time spent up to now is 219.0 secs Computing kpt #: 95 total cpu time spent up to now is 221.1 secs Computing kpt #: 96 total cpu time spent up to now is 223.4 secs Computing kpt #: 97 total cpu time spent up to now is 225.9 secs Computing kpt #: 98 total cpu time spent up to now is 228.3 secs Computing kpt #: 99 total cpu time spent up to now is 231.0 secs Computing kpt #: 100 total cpu time spent up to now is 233.7 secs Computing kpt #: 101 total cpu time spent up to now is 236.4 secs Computing kpt #: 102 total cpu time spent up to now is 238.9 secs Computing kpt #: 103 total cpu time spent up to now is 241.1 secs Computing kpt #: 104 total cpu time spent up to now is 243.2 secs Computing kpt #: 105 total cpu time spent up to now is 245.4 secs Computing kpt #: 106 total cpu time spent up to now is 247.5 secs Computing kpt #: 107 total cpu time spent up to now is 249.6 secs Computing kpt #: 108 total cpu time spent up to now is 251.7 secs Computing kpt #: 109 total cpu time spent up to now is 253.8 secs Computing kpt #: 110 total cpu time spent up to now is 256.0 secs Computing kpt #: 111 total cpu time spent up to now is 258.1 secs Computing kpt #: 112 total cpu time spent up to now is 260.2 secs Computing kpt #: 113 total cpu time spent up to now is 262.3 secs Computing kpt #: 114 total cpu time spent up to now is 264.6 secs Computing kpt #: 115 total cpu time spent up to now is 266.9 secs Computing kpt #: 116 total cpu time spent up to now is 269.0 secs Computing kpt #: 117 total cpu time spent up to now is 271.1 secs Computing kpt #: 118 total cpu time spent up to now is 273.1 secs Computing kpt #: 119 total cpu time spent up to now is 275.2 secs Computing kpt #: 120 total cpu time spent up to now is 277.5 secs Computing kpt #: 121 total cpu time spent up to now is 279.8 secs Computing kpt #: 122 total cpu time spent up to now is 282.1 secs Computing kpt #: 123 total cpu time spent up to now is 284.6 secs Computing kpt #: 124 total cpu time spent up to now is 287.3 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 290.9 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.5 secs Computing kpt #: 127 total cpu time spent up to now is 297.6 secs Computing kpt #: 128 total cpu time spent up to now is 300.4 secs Computing kpt #: 129 total cpu time spent up to now is 303.1 secs Computing kpt #: 130 total cpu time spent up to now is 305.7 secs Computing kpt #: 131 total cpu time spent up to now is 308.2 secs Computing kpt #: 132 total cpu time spent up to now is 310.4 secs Computing kpt #: 133 total cpu time spent up to now is 312.5 secs Computing kpt #: 134 total cpu time spent up to now is 314.7 secs Computing kpt #: 135 total cpu time spent up to now is 316.8 secs Computing kpt #: 136 total cpu time spent up to now is 319.0 secs Computing kpt #: 137 total cpu time spent up to now is 321.2 secs Computing kpt #: 138 total cpu time spent up to now is 323.6 secs Computing kpt #: 139 total cpu time spent up to now is 326.2 secs Computing kpt #: 140 total cpu time spent up to now is 328.9 secs Computing kpt #: 141 total cpu time spent up to now is 331.6 secs Computing kpt #: 142 total cpu time spent up to now is 334.4 secs Computing kpt #: 143 total cpu time spent up to now is 337.1 secs Computing kpt #: 144 total cpu time spent up to now is 339.8 secs Computing kpt #: 145 total cpu time spent up to now is 342.5 secs Computing kpt #: 146 total cpu time spent up to now is 345.0 secs Computing kpt #: 147 total cpu time spent up to now is 347.7 secs Computing kpt #: 148 total cpu time spent up to now is 350.2 secs Computing kpt #: 149 total cpu time spent up to now is 352.5 secs Computing kpt #: 150 total cpu time spent up to now is 354.8 secs Computing kpt #: 151 total cpu time spent up to now is 357.0 secs Computing kpt #: 152 total cpu time spent up to now is 359.3 secs Computing kpt #: 153 total cpu time spent up to now is 361.6 secs Computing kpt #: 154 total cpu time spent up to now is 363.9 secs Computing kpt #: 155 total cpu time spent up to now is 366.3 secs Computing kpt #: 156 total cpu time spent up to now is 368.6 secs Computing kpt #: 157 total cpu time spent up to now is 371.0 secs Computing kpt #: 158 total cpu time spent up to now is 373.2 secs Computing kpt #: 159 total cpu time spent up to now is 376.0 secs Computing kpt #: 160 total cpu time spent up to now is 378.5 secs Computing kpt #: 161 total cpu time spent up to now is 380.7 secs Computing kpt #: 162 total cpu time spent up to now is 382.9 secs Computing kpt #: 163 total cpu time spent up to now is 385.1 secs Computing kpt #: 164 total cpu time spent up to now is 387.3 secs Computing kpt #: 165 total cpu time spent up to now is 389.5 secs Computing kpt #: 166 total cpu time spent up to now is 391.7 secs Computing kpt #: 167 total cpu time spent up to now is 393.9 secs Computing kpt #: 168 total cpu time spent up to now is 396.1 secs Computing kpt #: 169 total cpu time spent up to now is 398.3 secs Computing kpt #: 170 total cpu time spent up to now is 400.5 secs Computing kpt #: 171 total cpu time spent up to now is 402.7 secs Computing kpt #: 172 total cpu time spent up to now is 404.8 secs Computing kpt #: 173 total cpu time spent up to now is 407.0 secs Computing kpt #: 174 total cpu time spent up to now is 409.2 secs Computing kpt #: 175 total cpu time spent up to now is 411.4 secs Computing kpt #: 176 total cpu time spent up to now is 413.6 secs Computing kpt #: 177 total cpu time spent up to now is 415.7 secs Computing kpt #: 178 total cpu time spent up to now is 417.8 secs Computing kpt #: 179 total cpu time spent up to now is 419.9 secs Computing kpt #: 180 total cpu time spent up to now is 422.1 secs Computing kpt #: 181 total cpu time spent up to now is 424.3 secs Computing kpt #: 182 total cpu time spent up to now is 426.5 secs Computing kpt #: 183 total cpu time spent up to now is 428.7 secs Computing kpt #: 184 total cpu time spent up to now is 430.9 secs Computing kpt #: 185 total cpu time spent up to now is 433.2 secs Computing kpt #: 186 total cpu time spent up to now is 435.4 secs Computing kpt #: 187 total cpu time spent up to now is 437.7 secs Computing kpt #: 188 total cpu time spent up to now is 439.9 secs Computing kpt #: 189 total cpu time spent up to now is 442.2 secs Computing kpt #: 190 total cpu time spent up to now is 444.5 secs Computing kpt #: 191 total cpu time spent up to now is 446.8 secs Computing kpt #: 192 total cpu time spent up to now is 449.0 secs Computing kpt #: 193 total cpu time spent up to now is 451.3 secs Computing kpt #: 194 total cpu time spent up to now is 453.5 secs Computing kpt #: 195 total cpu time spent up to now is 455.8 secs Computing kpt #: 196 total cpu time spent up to now is 458.0 secs Computing kpt #: 197 total cpu time spent up to now is 460.2 secs Computing kpt #: 198 total cpu time spent up to now is 462.4 secs Computing kpt #: 199 total cpu time spent up to now is 464.6 secs Computing kpt #: 200 total cpu time spent up to now is 466.8 secs Computing kpt #: 201 total cpu time spent up to now is 469.2 secs Computing kpt #: 202 total cpu time spent up to now is 471.6 secs Computing kpt #: 203 total cpu time spent up to now is 473.9 secs Computing kpt #: 204 total cpu time spent up to now is 476.3 secs Computing kpt #: 205 total cpu time spent up to now is 478.6 secs Computing kpt #: 206 total cpu time spent up to now is 481.0 secs Computing kpt #: 207 total cpu time spent up to now is 483.2 secs Computing kpt #: 208 total cpu time spent up to now is 485.5 secs Computing kpt #: 209 total cpu time spent up to now is 487.7 secs Computing kpt #: 210 total cpu time spent up to now is 489.8 secs Computing kpt #: 211 total cpu time spent up to now is 492.0 secs Computing kpt #: 212 total cpu time spent up to now is 494.2 secs Computing kpt #: 213 total cpu time spent up to now is 496.4 secs Computing kpt #: 214 total cpu time spent up to now is 498.5 secs Computing kpt #: 215 total cpu time spent up to now is 500.7 secs Computing kpt #: 216 total cpu time spent up to now is 502.8 secs Computing kpt #: 217 total cpu time spent up to now is 504.9 secs Computing kpt #: 218 total cpu time spent up to now is 507.1 secs Computing kpt #: 219 total cpu time spent up to now is 509.2 secs Computing kpt #: 220 total cpu time spent up to now is 511.4 secs Computing kpt #: 221 total cpu time spent up to now is 513.6 secs Computing kpt #: 222 total cpu time spent up to now is 515.7 secs Computing kpt #: 223 total cpu time spent up to now is 517.9 secs Computing kpt #: 224 total cpu time spent up to now is 520.1 secs Computing kpt #: 225 total cpu time spent up to now is 522.2 secs Computing kpt #: 226 total cpu time spent up to now is 524.4 secs Computing kpt #: 227 total cpu time spent up to now is 526.7 secs Computing kpt #: 228 total cpu time spent up to now is 529.0 secs Computing kpt #: 229 total cpu time spent up to now is 531.4 secs Computing kpt #: 230 total cpu time spent up to now is 533.7 secs Computing kpt #: 231 total cpu time spent up to now is 536.0 secs Computing kpt #: 232 total cpu time spent up to now is 538.5 secs Computing kpt #: 233 total cpu time spent up to now is 540.9 secs Computing kpt #: 234 total cpu time spent up to now is 543.5 secs Computing kpt #: 235 total cpu time spent up to now is 546.2 secs Computing kpt #: 236 total cpu time spent up to now is 548.9 secs Computing kpt #: 237 total cpu time spent up to now is 551.5 secs Computing kpt #: 238 total cpu time spent up to now is 554.2 secs Computing kpt #: 239 total cpu time spent up to now is 557.0 secs Computing kpt #: 240 total cpu time spent up to now is 559.8 secs Computing kpt #: 241 total cpu time spent up to now is 562.6 secs Computing kpt #: 242 total cpu time spent up to now is 565.4 secs Computing kpt #: 243 total cpu time spent up to now is 568.1 secs Computing kpt #: 244 total cpu time spent up to now is 570.9 secs Computing kpt #: 245 total cpu time spent up to now is 573.6 secs Computing kpt #: 246 total cpu time spent up to now is 576.2 secs Computing kpt #: 247 total cpu time spent up to now is 578.8 secs Computing kpt #: 248 total cpu time spent up to now is 581.1 secs Computing kpt #: 249 total cpu time spent up to now is 583.4 secs Computing kpt #: 250 total cpu time spent up to now is 585.7 secs Computing kpt #: 251 total cpu time spent up to now is 587.8 secs Computing kpt #: 252 total cpu time spent up to now is 589.9 secs Computing kpt #: 253 total cpu time spent up to now is 592.1 secs Computing kpt #: 254 total cpu time spent up to now is 594.3 secs Computing kpt #: 255 total cpu time spent up to now is 596.4 secs Computing kpt #: 256 total cpu time spent up to now is 598.6 secs Computing kpt #: 257 total cpu time spent up to now is 600.8 secs Computing kpt #: 258 total cpu time spent up to now is 603.0 secs Computing kpt #: 259 total cpu time spent up to now is 605.3 secs Computing kpt #: 260 total cpu time spent up to now is 607.6 secs Computing kpt #: 261 total cpu time spent up to now is 610.1 secs Computing kpt #: 262 total cpu time spent up to now is 612.6 secs Computing kpt #: 263 total cpu time spent up to now is 615.0 secs Computing kpt #: 264 total cpu time spent up to now is 617.3 secs Computing kpt #: 265 total cpu time spent up to now is 619.5 secs Computing kpt #: 266 total cpu time spent up to now is 621.8 secs Computing kpt #: 267 total cpu time spent up to now is 624.0 secs Computing kpt #: 268 total cpu time spent up to now is 626.2 secs Computing kpt #: 269 total cpu time spent up to now is 628.6 secs Computing kpt #: 270 total cpu time spent up to now is 630.9 secs Computing kpt #: 271 total cpu time spent up to now is 633.3 secs Computing kpt #: 272 total cpu time spent up to now is 635.7 secs Computing kpt #: 273 total cpu time spent up to now is 638.0 secs Computing kpt #: 274 total cpu time spent up to now is 640.4 secs Computing kpt #: 275 total cpu time spent up to now is 642.8 secs Computing kpt #: 276 total cpu time spent up to now is 645.2 secs Computing kpt #: 277 total cpu time spent up to now is 647.6 secs Computing kpt #: 278 total cpu time spent up to now is 649.9 secs Computing kpt #: 279 total cpu time spent up to now is 652.3 secs Computing kpt #: 280 total cpu time spent up to now is 654.7 secs Computing kpt #: 281 total cpu time spent up to now is 657.1 secs Computing kpt #: 282 total cpu time spent up to now is 659.6 secs Computing kpt #: 283 total cpu time spent up to now is 662.0 secs Computing kpt #: 284 total cpu time spent up to now is 664.5 secs Computing kpt #: 285 total cpu time spent up to now is 666.8 secs ethr = 1.85E-11, avg # of iterations = 43.5 total cpu time spent up to now is 666.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5349 PWs) bands (ev): -3.9448 -3.9448 -2.9429 -2.9429 -2.9281 -2.9281 0.2844 0.2844 0.3206 0.3206 0.4085 0.4085 0.5770 0.5770 0.6449 0.6449 0.6665 0.6665 1.6728 1.6728 1.7535 1.7535 2.0827 2.0827 2.1716 2.1716 2.2532 2.2532 2.3147 2.3147 2.4274 2.4274 2.4538 2.4538 2.5317 2.5317 3.7809 3.7809 3.8519 3.8519 6.8124 6.8124 7.2036 7.2036 7.4955 7.4955 7.6227 7.6227 8.3797 8.3797 8.4883 8.4883 8.7159 8.7159 9.1423 9.1423 10.8946 10.8946 10.8978 10.8978 12.0678 12.0678 12.1483 12.1483 k = 0.0119 0.0069-0.0000 ( 5375 PWs) bands (ev): -3.9439 -3.9437 -2.9426 -2.9425 -2.9277 -2.9277 0.2844 0.2844 0.3206 0.3207 0.4046 0.4130 0.5771 0.5772 0.6448 0.6448 0.6662 0.6672 1.6729 1.6729 1.7500 1.7574 2.0801 2.0854 2.1717 2.1719 2.2519 2.2546 2.3149 2.3149 2.4271 2.4271 2.4538 2.4542 2.5303 2.5331 3.7815 3.7816 3.8501 3.8550 6.8039 6.8069 7.1598 7.2142 7.4531 7.5012 7.6439 7.6479 8.3798 8.3807 8.4851 8.4870 8.6993 8.7268 9.1429 9.1436 10.8885 10.9034 10.9047 10.9156 12.0455 12.0477 12.1314 12.1540 k = 0.0238 0.0137-0.0000 ( 5375 PWs) bands (ev): -3.9409 -3.9406 -2.9416 -2.9413 -2.9267 -2.9266 0.2844 0.2845 0.3207 0.3208 0.4015 0.4181 0.5775 0.5777 0.6444 0.6445 0.6663 0.6682 1.6730 1.6732 1.7472 1.7618 2.0779 2.0884 2.1722 2.1725 2.2505 2.2560 2.3155 2.3156 2.4264 2.4265 2.4542 2.4550 2.5291 2.5347 3.7834 3.7836 3.8496 3.8592 6.7794 6.7880 7.0889 7.1907 7.4054 7.4872 7.6820 7.6957 8.3778 8.3851 8.4749 8.4845 8.6764 8.7334 9.1470 9.1476 10.8947 10.9191 10.9259 10.9519 11.9886 11.9982 12.1032 12.1382 k = 0.0357 0.0206-0.0000 ( 5383 PWs) bands (ev): -3.9360 -3.9355 -2.9400 -2.9395 -2.9249 -2.9247 0.2844 0.2845 0.3206 0.3211 0.3992 0.4236 0.5782 0.5785 0.6438 0.6441 0.6667 0.6695 1.6731 1.6738 1.7449 1.7667 2.0758 2.0916 2.1730 2.1734 2.2492 2.2574 2.3166 2.3167 2.4253 2.4255 2.4550 2.4562 2.5281 2.5364 3.7863 3.7869 3.8505 3.8647 6.7367 6.7548 7.0014 7.1404 7.3693 7.4726 7.7135 7.7372 8.3698 8.3922 8.4569 8.4848 8.6473 8.7370 9.1571 9.1579 10.9096 10.9410 10.9612 11.0025 11.9143 11.9330 12.0613 12.1007 k = 0.0476 0.0275-0.0000 ( 5375 PWs) bands (ev): -3.9291 -3.9284 -2.9376 -2.9370 -2.9223 -2.9220 0.2844 0.2847 0.3204 0.3216 0.3977 0.4296 0.5792 0.5796 0.6430 0.6436 0.6675 0.6710 1.6731 1.6748 1.7433 1.7719 2.0740 2.0950 2.1741 2.1746 2.2479 2.2589 2.3180 2.3182 2.4238 2.4242 2.4559 2.4578 2.5272 2.5383 3.7899 3.7915 3.8529 3.8715 6.6743 6.7041 6.9088 7.0769 7.3427 7.4589 7.7280 7.7629 8.3524 8.3958 8.4338 8.4908 8.6131 8.7382 9.1766 9.1799 10.9283 10.9641 11.0087 11.0642 11.8340 11.8625 12.0105 12.0507 k = 0.0595 0.0344-0.0000 ( 5373 PWs) bands (ev): -3.9203 -3.9193 -2.9348 -2.9340 -2.9190 -2.9184 0.2844 0.2850 0.3199 0.3223 0.3973 0.4360 0.5804 0.5809 0.6420 0.6431 0.6686 0.6729 1.6730 1.6761 1.7423 1.7774 2.0725 2.0985 2.1755 2.1762 2.2467 2.2603 2.3197 2.3201 2.4221 2.4227 2.4570 2.4598 2.5266 2.5403 3.7938 3.7971 3.8570 3.8796 6.5928 6.6311 6.8217 7.0102 7.3204 7.4448 7.7225 7.7706 8.3219 8.3815 8.4156 8.5029 8.5757 8.7369 9.2108 9.2173 10.9443 10.9813 11.0650 11.1321 11.7563 11.7957 11.9572 12.0007 k = 0.0714 0.0412-0.0000 ( 5375 PWs) bands (ev): -3.9095 -3.9083 -2.9315 -2.9305 -2.9148 -2.9138 0.2845 0.2854 0.3193 0.3231 0.3979 0.4428 0.5820 0.5825 0.6409 0.6426 0.6698 0.6750 1.6727 1.6778 1.7419 1.7833 2.0712 2.1021 2.1773 2.1780 2.2456 2.2617 2.3218 2.3223 2.4202 2.4211 2.4581 2.4622 2.5261 2.5424 3.7977 3.8034 3.8632 3.8893 6.4954 6.5351 6.7450 6.9434 7.2997 7.4291 7.6990 7.7611 8.2758 8.3469 8.4026 8.5137 8.5409 8.7328 9.2626 9.2726 10.9487 10.9843 11.1262 11.2001 11.6880 11.7406 11.9095 11.9642 k = 0.0833 0.0481-0.0000 ( 5373 PWs) bands (ev): -3.8967 -3.8954 -2.9279 -2.9265 -2.9098 -2.9083 0.2846 0.2861 0.3184 0.3241 0.3995 0.4498 0.5838 0.5844 0.6397 0.6421 0.6713 0.6774 1.6722 1.6798 1.7423 1.7896 2.0701 2.1058 2.1793 2.1800 2.2447 2.2631 2.3241 2.3249 2.4182 2.4193 2.4592 2.4650 2.5259 2.5448 3.8011 3.8102 3.8714 3.9006 6.3863 6.4225 6.6748 6.8757 7.2795 7.4110 7.6612 7.7375 8.2150 8.2992 8.3870 8.4905 8.5377 8.7266 9.3316 9.3455 10.9328 10.9651 11.1875 11.2609 11.6329 11.7003 11.8815 11.9528 k = 0.0952 0.0550-0.0000 ( 5373 PWs) bands (ev): -3.8821 -3.8806 -2.9240 -2.9223 -2.9038 -2.9019 0.2848 0.2870 0.3172 0.3253 0.4021 0.4572 0.5859 0.5864 0.6384 0.6417 0.6730 0.6801 1.6714 1.6822 1.7433 1.7961 2.0692 2.1095 2.1815 2.1822 2.2440 2.2645 2.3267 2.3277 2.4162 2.4175 2.4602 2.4681 2.5260 2.5473 3.8036 3.8170 3.8820 3.9137 6.2695 6.3007 6.6061 6.8061 7.2589 7.3898 7.6131 7.7036 8.1420 8.2379 8.3689 8.4532 8.5432 8.7194 9.4150 9.4331 10.8929 10.9201 11.2424 11.3070 11.5931 11.6702 11.8920 11.9726 k = 0.1071 0.0619-0.0000 ( 5379 PWs) bands (ev): -3.8656 -3.8639 -2.9198 -2.9177 -2.8970 -2.8945 0.2851 0.2881 0.3160 0.3266 0.4056 0.4648 0.5883 0.5886 0.6372 0.6415 0.6748 0.6832 1.6705 1.6848 1.7449 1.8029 2.0686 2.1133 2.1839 2.1846 2.2435 2.2658 2.3295 2.3307 2.4144 2.4157 2.4612 2.4716 2.5263 2.5501 3.8051 3.8234 3.8948 3.9287 6.1478 6.1742 6.5364 6.7339 7.2375 7.3649 7.5581 7.6632 8.0591 8.1641 8.3488 8.4155 8.5428 8.7123 9.5082 9.5313 10.8331 10.8528 11.2802 11.3295 11.5770 11.6501 11.9459 12.0227 k = 0.1190 0.0687-0.0000 ( 5381 PWs) bands (ev): -3.8474 -3.8454 -2.9155 -2.9130 -2.8892 -2.8863 0.2856 0.2895 0.3146 0.3281 0.4100 0.4726 0.5909 0.5910 0.6361 0.6413 0.6767 0.6867 1.6694 1.6876 1.7471 1.8101 2.0682 2.1171 2.1861 2.1872 2.2433 2.2671 2.3325 2.3338 2.4127 2.4139 2.4620 2.4755 2.5269 2.5531 3.8052 3.8287 3.9098 3.9457 6.0233 6.0456 6.4650 6.6592 7.2143 7.3355 7.4992 7.6193 7.9682 8.0802 8.3265 8.3777 8.5361 8.7053 9.6061 9.6359 10.7608 10.7717 11.2858 11.3249 11.5940 11.6513 12.0314 12.0964 k = 0.1310 0.0756-0.0000 ( 5383 PWs) bands (ev): -3.8273 -3.8251 -2.9110 -2.9081 -2.8805 -2.8773 0.2862 0.2912 0.3133 0.3297 0.4152 0.4806 0.5934 0.5939 0.6352 0.6414 0.6788 0.6906 1.6681 1.6904 1.7500 1.8175 2.0681 2.1210 2.1882 2.1901 2.2435 2.2682 2.3356 2.3370 2.4113 2.4122 2.4628 2.4796 2.5278 2.5565 3.8038 3.8325 3.9268 3.9646 5.8976 5.9162 6.3925 6.5827 7.1883 7.3006 7.4389 7.5744 7.8708 7.9887 8.3020 8.3398 8.5241 8.6977 9.7027 9.7423 10.6782 10.6915 11.2571 11.3017 11.6368 11.6789 12.1347 12.1863 k = 0.1429 0.0825-0.0000 ( 5377 PWs) bands (ev): -3.8056 -3.8032 -2.9063 -2.9031 -2.8710 -2.8674 0.2871 0.2930 0.3120 0.3314 0.4211 0.4887 0.5959 0.5972 0.6345 0.6417 0.6809 0.6950 1.6666 1.6931 1.7535 1.8252 2.0683 2.1249 2.1899 2.1932 2.2441 2.2692 2.3388 2.3403 2.4101 2.4108 2.4634 2.4841 2.5290 2.5601 3.8005 3.8343 3.9457 3.9853 5.7716 5.7871 6.3197 6.5054 7.1584 7.2588 7.3802 7.5296 7.7685 7.8923 8.2751 8.3017 8.5080 8.6886 9.7911 9.8457 10.5906 10.6226 11.2126 11.2651 11.6922 11.7250 12.2447 12.2866 k = 0.1548 0.0894-0.0000 ( 5377 PWs) bands (ev): -3.7822 -3.7795 -2.9015 -2.8980 -2.8608 -2.8569 0.2881 0.2951 0.3109 0.3333 0.4275 0.4968 0.5984 0.6007 0.6341 0.6423 0.6833 0.7000 1.6651 1.6955 1.7576 1.8332 2.0688 2.1289 2.1914 2.1963 2.2452 2.2701 2.3419 2.3437 2.4088 2.4100 2.4640 2.4889 2.5305 2.5641 3.7951 3.8335 3.9663 4.0077 5.6461 5.6588 6.2478 6.4286 7.1232 7.2084 7.3255 7.4849 7.6631 7.7937 8.2459 8.2635 8.4883 8.6772 9.8622 9.9395 10.5094 10.5698 11.1650 11.2221 11.7517 11.7791 12.3518 12.3942 k = 0.1667 0.0962-0.0000 ( 5379 PWs) bands (ev): -3.7572 -3.7543 -2.8966 -2.8928 -2.8499 -2.8457 0.2894 0.2972 0.3101 0.3353 0.4344 0.5047 0.6006 0.6045 0.6344 0.6432 0.6858 0.7057 1.6634 1.6975 1.7624 1.8415 2.0697 2.1330 2.1925 2.1994 2.2468 2.2709 2.3447 2.3475 2.4075 2.4098 2.4644 2.4940 2.5324 2.5684 3.7871 3.8296 3.9885 4.0317 5.5219 5.5320 6.1781 6.3535 7.0821 7.1489 7.2757 7.4386 7.5568 7.6966 8.2138 8.2258 8.4653 8.6626 9.9057 10.0133 10.4444 10.5416 11.1203 11.1794 11.8100 11.8345 12.4489 12.5045 k = 0.1786 0.1031-0.0000 ( 5383 PWs) bands (ev): -3.7308 -3.7276 -2.8917 -2.8877 -2.8383 -2.8339 0.2909 0.2993 0.3097 0.3374 0.4417 0.5124 0.6027 0.6084 0.6354 0.6448 0.6884 0.7121 1.6616 1.6991 1.7677 1.8499 2.0710 2.1373 2.1933 2.2025 2.2488 2.2716 2.3471 2.3517 2.4064 2.4100 2.4648 2.4994 2.5346 2.5730 3.7761 3.8220 4.0120 4.0569 5.3993 5.4070 6.1120 6.2816 7.0345 7.0811 7.2277 7.3868 7.4535 7.6059 8.1782 8.1899 8.4391 8.6443 9.9157 10.0515 10.4089 10.5414 11.0827 11.1418 11.8635 11.8872 12.5328 12.6091 k = 0.1905 0.1100-0.0000 ( 5387 PWs) bands (ev): -3.7029 -3.6995 -2.8868 -2.8825 -2.8262 -2.8216 0.2926 0.3009 0.3100 0.3396 0.4491 0.5197 0.6044 0.6120 0.6372 0.6475 0.6913 0.7192 1.6598 1.7002 1.7734 1.8584 2.0729 2.1419 2.1938 2.2053 2.2511 2.2725 2.3492 2.3563 2.4053 2.4108 2.4651 2.5050 2.5372 2.5780 3.7617 3.8103 4.0368 4.0832 5.2788 5.2842 6.0508 6.2141 6.9806 7.0064 7.1745 7.3233 7.3611 7.5279 8.1398 8.1552 8.4098 8.6220 9.8959 10.0444 10.4088 10.5611 11.0559 11.1136 11.9083 11.9349 12.6008 12.6971 k = 0.2024 0.1168-0.0000 ( 5383 PWs) bands (ev): -3.6737 -3.6700 -2.8819 -2.8774 -2.8136 -2.8089 0.2946 0.3021 0.3113 0.3420 0.4566 0.5264 0.6057 0.6153 0.6396 0.6520 0.6945 0.7273 1.6579 1.7007 1.7794 1.8670 2.0755 2.1468 2.1942 2.2080 2.2536 2.2735 2.3509 2.3613 2.4044 2.4120 2.4653 2.5109 2.5401 2.5834 3.7436 3.7939 4.0626 4.1103 5.1607 5.1642 5.9955 6.1519 6.9189 6.9267 7.1069 7.2466 7.2884 7.4661 8.1003 8.1206 8.3774 8.5953 9.8573 10.0051 10.4273 10.5847 11.0434 11.0982 11.9412 11.9764 12.6511 12.7562 k = 0.2143 0.1237-0.0000 ( 5383 PWs) bands (ev): -3.6433 -3.6393 -2.8772 -2.8724 -2.8006 -2.7957 0.2968 0.3027 0.3135 0.3445 0.4639 0.5326 0.6066 0.6180 0.6419 0.6587 0.6981 0.7362 1.6560 1.7006 1.7856 1.8753 2.0789 2.1519 2.1944 2.2104 2.2563 2.2750 2.3522 2.3668 2.4035 2.4135 2.4655 2.5171 2.5433 2.5891 3.7213 3.7725 4.0892 4.1377 5.0450 5.0476 5.9473 6.0961 6.8360 6.8540 7.0241 7.1647 7.2343 7.4179 8.0603 8.0858 8.3421 8.5642 9.8095 9.9522 10.4436 10.5980 11.0467 11.0962 11.9606 12.0100 12.6844 12.7816 k = 0.2262 0.1306-0.0000 ( 5381 PWs) bands (ev): -3.6117 -3.6075 -2.8725 -2.8676 -2.7872 -2.7823 0.2990 0.3032 0.3162 0.3472 0.4709 0.5380 0.6071 0.6204 0.6442 0.6675 0.7023 0.7462 1.6541 1.7000 1.7916 1.8834 2.0831 2.1573 2.1947 2.2126 2.2589 2.2769 2.3532 2.3729 2.4027 2.4154 2.4657 2.5234 2.5469 2.5951 3.6948 3.7459 4.1163 4.1650 4.9319 4.9352 5.9066 6.0471 6.7419 6.7752 6.9374 7.0817 7.1934 7.3779 8.0201 8.0507 8.3040 8.5290 9.7590 9.8959 10.4480 10.5951 11.0620 11.1042 11.9671 12.0341 12.7036 12.7886 k = 0.2381 0.1375-0.0000 ( 5377 PWs) bands (ev): -3.5791 -3.5746 -2.8680 -2.8629 -2.7737 -2.7687 0.3009 0.3043 0.3192 0.3500 0.4774 0.5429 0.6073 0.6225 0.6466 0.6775 0.7077 0.7572 1.6521 1.6989 1.7974 1.8909 2.0883 2.1626 2.1953 2.2147 2.2616 2.2795 2.3539 2.3795 2.4018 2.4175 2.4659 2.5301 2.5508 2.6013 3.6640 3.7142 4.1435 4.1916 4.8223 4.8272 5.8740 6.0053 6.6414 6.6835 6.8574 7.0013 7.1594 7.3423 7.9801 8.0155 8.2635 8.4899 9.7090 9.8404 10.4400 10.5777 11.0808 11.1150 11.9632 12.0476 12.7140 12.7970 k = 0.2500 0.1443-0.0000 ( 5371 PWs) bands (ev): -3.5457 -3.5408 -2.8638 -2.8584 -2.7600 -2.7549 0.3020 0.3065 0.3225 0.3530 0.4833 0.5471 0.6075 0.6243 0.6491 0.6873 0.7151 0.7693 1.6502 1.6973 1.8027 1.8977 2.0945 2.1675 2.1964 2.2170 2.2642 2.2826 2.3543 2.3865 2.4012 2.4199 2.4661 2.5370 2.5550 2.6079 3.6291 3.6775 4.1701 4.2161 4.7176 4.7239 5.8492 5.9703 6.5358 6.5807 6.7873 6.9254 7.1287 7.3090 7.9403 7.9804 8.2211 8.4476 9.6612 9.7876 10.4221 10.5505 11.0935 11.1204 11.9529 12.0508 12.7246 12.8139 k = 0.2619 0.1512-0.0000 ( 5371 PWs) bands (ev): -3.5114 -3.5063 -2.8597 -2.8541 -2.7462 -2.7411 0.3028 0.3093 0.3259 0.3562 0.4885 0.5508 0.6076 0.6258 0.6517 0.6956 0.7259 0.7824 1.6483 1.6953 1.8073 1.9037 2.1015 2.1717 2.1981 2.2202 2.2669 2.2863 2.3545 2.3924 2.4020 2.4226 2.4664 2.5443 2.5596 2.6146 3.5904 3.6365 4.1948 4.2361 4.6195 4.6272 5.8316 5.9414 6.4272 6.4723 6.7253 6.8545 7.0993 7.2769 7.9010 7.9455 8.1774 8.4028 9.6162 9.7376 10.3977 10.5174 11.0932 11.1137 11.9403 12.0453 12.7429 12.8379 k = 0.2738 0.1581-0.0000 ( 5363 PWs) bands (ev): -3.4766 -3.4712 -2.8559 -2.8501 -2.7325 -2.7275 0.3035 0.3125 0.3294 0.3595 0.4929 0.5539 0.6078 0.6272 0.6544 0.7018 0.7399 0.7965 1.6465 1.6929 1.8113 1.9085 2.1090 2.1750 2.2002 2.2248 2.2696 2.2903 2.3545 2.3939 2.4073 2.4263 2.4668 2.5517 2.5647 2.6215 3.5487 3.5918 4.2150 4.2466 4.5300 4.5424 5.8196 5.9168 6.3177 6.3639 6.6695 6.7885 7.0705 7.2454 7.8623 7.9110 8.1330 8.3562 9.5737 9.6905 10.3694 10.4812 11.0758 11.0922 11.9281 12.0338 12.7698 12.8657 k = 0.2857 0.1650-0.0000 ( 5365 PWs) bands (ev): -3.4413 -3.4355 -2.8524 -2.8464 -2.7189 -2.7139 0.3044 0.3158 0.3330 0.3631 0.4965 0.5567 0.6080 0.6284 0.6572 0.7065 0.7564 0.8115 1.6447 1.6901 1.8144 1.9121 2.1163 2.1777 2.2024 2.2312 2.2724 2.2947 2.3543 2.3924 2.4141 2.4324 2.4672 2.5589 2.5707 2.6286 3.5046 3.5445 4.2229 4.2383 4.4542 4.4810 5.8101 5.8934 6.2102 6.2615 6.6188 6.7271 7.0418 7.2141 7.8243 7.8769 8.0886 8.3088 9.5333 9.6458 10.3388 10.4436 11.0406 11.0564 11.9171 12.0185 12.8014 12.8930 k = 0.2976 0.1718-0.0000 ( 5359 PWs) bands (ev): -3.4057 -3.3996 -2.8493 -2.8430 -2.7056 -2.7007 0.3055 0.3191 0.3368 0.3670 0.4993 0.5589 0.6084 0.6295 0.6600 0.7104 0.7745 0.8272 1.6430 1.6870 1.8167 1.9145 2.1225 2.1806 2.2047 2.2394 2.2751 2.2992 2.3541 2.3899 2.4192 2.4426 2.4678 2.5652 2.5786 2.6358 3.4590 3.4956 4.1925 4.2128 4.4055 4.4530 5.7969 5.8662 6.1101 6.1720 6.5735 6.6701 7.0132 7.1831 7.7874 7.8435 8.0448 8.2614 9.4943 9.6028 10.3071 10.4056 10.9899 11.0084 11.9071 12.0011 12.8300 12.9146 k = 0.3095 0.1787-0.0000 ( 5359 PWs) bands (ev): -3.3700 -3.3635 -2.8464 -2.8399 -2.6927 -2.6878 0.3067 0.3224 0.3408 0.3710 0.5016 0.5609 0.6088 0.6305 0.6628 0.7136 0.7936 0.8435 1.6414 1.6836 1.8182 1.9154 2.1268 2.1838 2.2078 2.2485 2.2778 2.3039 2.3538 2.3867 2.4223 2.4568 2.4685 2.5705 2.5886 2.6432 3.4130 3.4462 4.1289 4.1633 4.3922 4.4510 5.7689 5.8272 6.0289 6.1031 6.5339 6.6174 6.9846 7.1524 7.7516 7.8108 8.0023 8.2146 9.4559 9.5609 10.2750 10.3678 10.9285 10.9505 11.8972 11.9827 12.8478 12.9260 k = 0.3214 0.1856-0.0000 ( 5367 PWs) bands (ev): -3.3343 -3.3275 -2.8440 -2.8373 -2.6802 -2.6754 0.3082 0.3256 0.3450 0.3753 0.5033 0.5625 0.6093 0.6313 0.6655 0.7163 0.8132 0.8603 1.6400 1.6799 1.8189 1.9150 2.1286 2.1871 2.2122 2.2579 2.2804 2.3085 2.3535 2.3831 2.4243 2.4681 2.4755 2.5751 2.6006 2.6510 3.3676 3.3975 4.0540 4.0951 4.4000 4.4606 5.7173 5.7660 5.9821 6.0578 6.5010 6.5692 6.9564 7.1224 7.7171 7.7789 7.9616 8.1690 9.4175 9.5193 10.2429 10.3305 10.8610 10.8858 11.8869 11.9636 12.8515 12.9243 k = 0.3333 0.1925-0.0000 ( 5365 PWs) bands (ev): -3.2989 -3.2918 -2.8419 -2.8350 -2.6683 -2.6636 0.3098 0.3286 0.3494 0.3798 0.5045 0.5640 0.6097 0.6321 0.6681 0.7184 0.8331 0.8772 1.6386 1.6761 1.8189 1.9132 2.1283 2.1897 2.2183 2.2671 2.2829 2.3129 2.3533 2.3793 2.4260 2.4692 2.4955 2.5794 2.6142 2.6596 3.3238 3.3507 3.9763 4.0212 4.4143 4.4730 5.6473 5.6849 5.9671 6.0306 6.4755 6.5260 6.9291 7.0935 7.6842 7.7479 7.9232 8.1252 9.3782 9.4772 10.2111 10.2939 10.7912 10.8174 11.8758 11.9442 12.8431 12.9101 k = 0.3452 0.1993-0.0000 ( 5371 PWs) bands (ev): -3.2640 -3.2565 -2.8403 -2.8331 -2.6570 -2.6525 0.3116 0.3313 0.3540 0.3846 0.5056 0.5653 0.6101 0.6328 0.6704 0.7199 0.8530 0.8940 1.6373 1.6723 1.8183 1.9101 2.1264 2.1913 2.2253 2.2754 2.2854 2.3166 2.3532 2.3755 2.4274 2.4698 2.5182 2.5839 2.6288 2.6702 3.2825 3.3068 3.8992 3.9469 4.4286 4.4836 5.5698 5.5978 5.9661 6.0137 6.4577 6.4885 6.9036 7.0665 7.6530 7.7179 7.8876 8.0836 9.3376 9.4339 10.1796 10.2582 10.7223 10.7484 11.8641 11.9248 12.8263 12.8870 k = 0.3571 0.2062-0.0000 ( 5367 PWs) bands (ev): -3.2297 -3.2218 -2.8391 -2.8317 -2.6464 -2.6421 0.3136 0.3338 0.3589 0.3894 0.5064 0.5665 0.6104 0.6335 0.6726 0.7207 0.8726 0.9105 1.6362 1.6685 1.8172 1.9056 2.1235 2.1920 2.2318 2.2818 2.2885 2.3192 2.3533 2.3724 2.4288 2.4702 2.5415 2.5894 2.6434 2.6846 3.2444 3.2668 3.8243 3.8743 4.4393 4.4894 5.4925 5.5152 5.9654 6.0032 6.4445 6.4601 6.8809 7.0420 7.6237 7.6890 7.8551 8.0444 9.2952 9.3890 10.1487 10.2234 10.6565 10.6812 11.8521 11.9057 12.8046 12.8590 k = 0.3690 0.2131-0.0000 ( 5367 PWs) bands (ev): -3.1962 -3.1881 -2.8384 -2.8307 -2.6367 -2.6325 0.3157 0.3360 0.3639 0.3943 0.5074 0.5676 0.6107 0.6340 0.6744 0.7208 0.8916 0.9265 1.6351 1.6648 1.8158 1.8997 2.1201 2.1921 2.2369 2.2853 2.2930 2.3201 2.3537 2.3706 2.4303 2.4704 2.5619 2.5981 2.6581 2.7046 3.2101 3.2317 3.7522 3.8044 4.4438 4.4879 5.4196 5.4435 5.9563 5.9988 6.4255 6.4504 6.8626 7.0211 7.5963 7.6611 7.8260 8.0078 9.2510 9.3419 10.1186 10.1897 10.5957 10.6178 11.8400 11.8872 12.7804 12.8289 k = 0.3810 0.2199-0.0000 ( 5383 PWs) bands (ev): -3.1639 -3.1555 -2.8382 -2.8303 -2.6278 -2.6239 0.3179 0.3380 0.3690 0.3991 0.5085 0.5687 0.6109 0.6345 0.6760 0.7201 0.9099 0.9417 1.6340 1.6615 1.8140 1.8927 2.1166 2.1916 2.2399 2.2870 2.2980 2.3188 2.3543 2.3703 2.4320 2.4704 2.5746 2.6111 2.6759 2.7304 3.1800 3.2022 3.6834 3.7375 4.4398 4.4773 5.3554 5.3856 5.9392 5.9958 6.4071 6.4503 6.8504 7.0048 7.5710 7.6343 7.8004 7.9738 9.2050 9.2925 10.0896 10.1572 10.5410 10.5597 11.8283 11.8696 12.7555 12.7985 k = 0.3929 0.2268-0.0000 ( 5369 PWs) bands (ev): -3.1329 -3.1243 -2.8385 -2.8304 -2.6198 -2.6161 0.3202 0.3396 0.3742 0.4038 0.5099 0.5697 0.6110 0.6348 0.6772 0.7187 0.9273 0.9560 1.6330 1.6585 1.8120 1.8845 2.1134 2.1903 2.2407 2.2880 2.3021 2.3156 2.3555 2.3712 2.4341 2.4701 2.5813 2.6230 2.7012 2.7612 3.1542 3.1785 3.6180 3.6738 4.4258 4.4567 5.3038 5.3420 5.9180 5.9888 6.3939 6.4517 6.8461 6.9938 7.5478 7.6087 7.7785 7.9425 9.1577 9.2411 10.0622 10.1261 10.4928 10.5080 11.8171 11.8531 12.7311 12.7690 k = 0.4048 0.2337-0.0000 ( 5367 PWs) bands (ev): -3.1034 -3.0946 -2.8394 -2.8312 -2.6127 -2.6094 0.3226 0.3409 0.3793 0.4080 0.5119 0.5705 0.6113 0.6351 0.6782 0.7164 0.9434 0.9690 1.6321 1.6559 1.8100 1.8754 2.1108 2.1880 2.2397 2.2885 2.3052 2.3117 2.3571 2.3728 2.4364 2.4696 2.5857 2.6298 2.7345 2.7961 3.1330 3.1607 3.5562 3.6135 4.4015 4.4266 5.2665 5.3123 5.8948 5.9765 6.3852 6.4512 6.8508 6.9888 7.5268 7.5843 7.7605 7.9137 9.1099 9.1883 10.0371 10.0968 10.4512 10.4630 11.8067 11.8379 12.7081 12.7412 k = 0.4167 0.2406-0.0000 ( 5367 PWs) bands (ev): -3.0758 -3.0670 -2.8408 -2.8325 -2.6066 -2.6036 0.3250 0.3419 0.3845 0.4117 0.5145 0.5709 0.6118 0.6351 0.6789 0.7135 0.9583 0.9808 1.6314 1.6537 1.8080 1.8656 2.1089 2.1843 2.2377 2.2880 2.3056 2.3095 2.3590 2.3743 2.4391 2.4689 2.5892 2.6326 2.7731 2.8341 3.1165 3.1487 3.4978 3.5565 4.3681 4.3886 5.2434 5.2948 5.8713 5.9590 6.3795 6.4471 6.8645 6.9895 7.5080 7.5611 7.7464 7.8874 9.0628 9.1351 10.0147 10.0694 10.4158 10.4249 11.7974 11.8240 12.6871 12.7155 k = 0.4286 0.2474-0.0000 ( 5371 PWs) bands (ev): -3.0503 -3.0415 -2.8428 -2.8346 -2.6014 -2.5987 0.3274 0.3425 0.3895 0.4146 0.5179 0.5708 0.6127 0.6350 0.6794 0.7100 0.9717 0.9910 1.6309 1.6518 1.8062 1.8555 2.1080 2.1788 2.2360 2.2857 2.3036 2.3102 2.3612 2.3756 2.4419 2.4679 2.5926 2.6328 2.8145 2.8741 3.1046 3.1422 3.4428 3.5027 4.3285 4.3456 5.2328 5.2870 5.8490 5.9376 6.3755 6.4393 6.8857 6.9953 7.4915 7.5392 7.7363 7.8633 9.0177 9.0829 9.9955 10.0444 10.3864 10.3933 11.7893 11.8117 12.6684 12.6925 k = 0.4405 0.2543-0.0000 ( 5371 PWs) bands (ev): -3.0271 -3.0186 -2.8452 -2.8372 -2.5971 -2.5948 0.3298 0.3429 0.3943 0.4166 0.5222 0.5698 0.6141 0.6347 0.6798 0.7059 0.9835 0.9996 1.6309 1.6501 1.8047 1.8455 2.1083 2.1716 2.2353 2.2813 2.3028 2.3109 2.3634 2.3764 2.4448 2.4668 2.5959 2.6313 2.8568 2.9144 3.0974 3.1411 3.3910 3.4518 4.2863 4.3008 5.2321 5.2857 5.8292 5.9137 6.3725 6.4288 6.9119 7.0046 7.4775 7.5188 7.7303 7.8412 8.9764 9.0332 9.9798 10.0220 10.3623 10.3678 11.7825 11.8009 12.6525 12.6723 k = 0.4524 0.2612-0.0000 ( 5361 PWs) bands (ev): -3.0066 -2.9987 -2.8479 -2.8405 -2.5937 -2.5918 0.3321 0.3429 0.3989 0.4177 0.5271 0.5679 0.6161 0.6340 0.6803 0.7016 0.9936 1.0065 1.6315 1.6482 1.8037 1.8360 2.1097 2.1632 2.2359 2.2755 2.3033 2.3111 2.3657 2.3767 2.4478 2.4654 2.5993 2.6289 2.8981 2.9527 3.0953 3.1457 3.3421 3.4037 4.2456 4.2576 5.2384 5.2878 5.8132 5.8888 6.3703 6.4169 6.9404 7.0153 7.4660 7.5002 7.7282 7.8209 8.9405 8.9879 9.9678 10.0025 10.3434 10.3477 11.7772 11.7917 12.6395 12.6553 k = 0.4643 0.2681-0.0000 ( 5351 PWs) bands (ev): -2.9892 -2.9824 -2.8506 -2.8441 -2.5910 -2.5895 0.3342 0.3425 0.4031 0.4179 0.5327 0.5649 0.6186 0.6329 0.6811 0.6973 1.0019 1.0116 1.6327 1.6463 1.8035 1.8273 2.1124 2.1541 2.2380 2.2691 2.3043 2.3108 2.3679 2.3766 2.4506 2.4639 2.6029 2.6257 2.9362 2.9850 3.1001 3.1569 3.2960 3.3581 4.2099 4.2193 5.2489 5.2904 5.8023 5.8644 6.3693 6.4050 6.9682 7.0250 7.4574 7.4837 7.7301 7.8022 8.9120 8.9487 9.9595 9.9861 10.3292 10.3325 11.7734 11.7841 12.6297 12.6414 k = 0.4762 0.2749-0.0000 ( 5353 PWs) bands (ev): -2.9755 -2.9703 -2.8528 -2.8479 -2.5891 -2.5881 0.3362 0.3418 0.4070 0.4171 0.5386 0.5609 0.6214 0.6314 0.6823 0.6932 1.0083 1.0148 1.6344 1.6440 1.8042 1.8199 2.1165 2.1449 2.2412 2.2626 2.3055 2.3102 2.3700 2.3760 2.4533 2.4622 2.6066 2.6221 2.9686 3.0059 3.1147 3.1756 3.2523 3.3147 4.1824 4.1890 5.2611 5.2912 5.7975 5.8418 6.3698 6.3939 6.9930 7.0312 7.4521 7.4700 7.7356 7.7850 8.8922 8.9174 9.9550 9.9729 10.3195 10.3217 11.7711 11.7782 12.6231 12.6309 k = 0.4881 0.2818-0.0000 ( 5346 PWs) bands (ev): -2.9662 -2.9633 -2.8539 -2.8511 -2.5878 -2.5873 0.3380 0.3408 0.4104 0.4156 0.5447 0.5561 0.6243 0.6295 0.6840 0.6895 1.0128 1.0161 1.6366 1.6416 1.8060 1.8138 2.1219 2.1363 2.2455 2.2564 2.3068 2.3092 2.3720 2.3750 2.4559 2.4603 2.6105 2.6183 2.9930 3.0129 3.1402 3.2022 3.2113 3.2736 4.1656 4.1690 5.2729 5.2887 5.7995 5.8225 6.3724 6.3845 7.0127 7.0319 7.4506 7.4596 7.7443 7.7695 8.8825 8.8952 9.9541 9.9632 10.3140 10.3151 11.7704 11.7740 12.6199 12.6238 k = 0.5000 0.2887-0.0000 ( 5350 PWs) bands (ev): -2.9619 -2.9619 -2.8533 -2.8533 -2.5873 -2.5873 0.3395 0.3395 0.4133 0.4133 0.5506 0.5506 0.6271 0.6271 0.6864 0.6864 1.0154 1.0154 1.6390 1.6390 1.8092 1.8092 2.1286 2.1286 2.2506 2.2506 2.3081 2.3081 2.3736 2.3736 2.4582 2.4582 2.6144 2.6144 3.0081 3.0081 3.1734 3.1734 3.2356 3.2356 4.1609 4.1609 5.2825 5.2825 5.8080 5.8080 6.3773 6.3773 7.0259 7.0259 7.4530 7.4530 7.7557 7.7557 8.8834 8.8834 9.9569 9.9569 10.3126 10.3126 11.7714 11.7714 12.6201 12.6201 k = 0.5000 0.2887-0.0000 ( 5350 PWs) bands (ev): -2.9619 -2.9619 -2.8533 -2.8533 -2.5873 -2.5873 0.3395 0.3395 0.4133 0.4133 0.5506 0.5506 0.6271 0.6271 0.6864 0.6864 1.0154 1.0154 1.6390 1.6390 1.8092 1.8092 2.1286 2.1286 2.2506 2.2506 2.3081 2.3081 2.3736 2.3736 2.4582 2.4582 2.6144 2.6144 3.0081 3.0081 3.1734 3.1734 3.2356 3.2356 4.1609 4.1609 5.2825 5.2825 5.8080 5.8080 6.3773 6.3773 7.0259 7.0259 7.4530 7.4530 7.7557 7.7557 8.8834 8.8834 9.9569 9.9569 10.3126 10.3126 11.7714 11.7714 12.6201 12.6201 k = 0.4931 0.3007-0.0000 ( 5354 PWs) bands (ev): -2.9615 -2.9614 -2.8531 -2.8528 -2.5877 -2.5873 0.3384 0.3406 0.4117 0.4145 0.5493 0.5533 0.6237 0.6304 0.6836 0.6898 1.0148 1.0154 1.6372 1.6414 1.8070 1.8119 2.1280 2.1295 2.2468 2.2548 2.3063 2.3101 2.3712 2.3764 2.4578 2.4590 2.6129 2.6153 3.0067 3.0088 3.1738 3.1740 3.2334 3.2390 4.1625 4.1633 5.2606 5.2628 5.8161 5.8240 6.3824 6.3893 7.0221 7.0236 7.4438 7.4460 7.7397 7.7531 8.8796 8.8884 9.9679 9.9757 10.3203 10.3221 11.7537 11.7792 12.6237 12.6289 k = 0.4861 0.3127-0.0000 ( 5342 PWs) bands (ev): -2.9601 -2.9599 -2.8521 -2.8514 -2.5885 -2.5877 0.3372 0.3416 0.4095 0.4152 0.5493 0.5572 0.6205 0.6337 0.6817 0.6937 1.0134 1.0147 1.6359 1.6443 1.8053 1.8152 2.1278 2.1308 2.2435 2.2593 2.3048 2.3125 2.3692 2.3794 2.4577 2.4602 2.6108 2.6157 3.0048 3.0090 3.1753 3.1759 3.2326 3.2436 4.1679 4.1695 5.2042 5.2072 5.8434 5.8567 6.4045 6.4175 7.0118 7.0149 7.4190 7.4233 7.7068 7.7328 8.8772 8.8943 10.0076 10.0229 10.3435 10.3482 11.7278 11.7784 12.6388 12.6481 k = 0.4792 0.3248-0.0000 ( 5342 PWs) bands (ev): -2.9577 -2.9574 -2.8503 -2.8493 -2.5897 -2.5885 0.3359 0.3424 0.4068 0.4156 0.5507 0.5622 0.6176 0.6366 0.6809 0.6982 1.0114 1.0134 1.6350 1.6478 1.8042 1.8190 2.1280 2.1324 2.2405 2.2641 2.3034 2.3151 2.3676 2.3827 2.4579 2.4618 2.6081 2.6157 3.0023 3.0084 3.1780 3.1789 3.2332 3.2493 4.1772 4.1795 5.1253 5.1276 5.8787 5.8946 6.4419 6.4602 6.9947 6.9993 7.3802 7.3866 7.6615 7.6981 8.8773 8.9019 10.0726 10.0949 10.3785 10.3884 11.6978 11.7725 12.6620 12.6727 k = 0.4722 0.3368-0.0000 ( 5350 PWs) bands (ev): -2.9545 -2.9541 -2.8477 -2.8465 -2.5913 -2.5898 0.3346 0.3432 0.4037 0.4157 0.5534 0.5680 0.6151 0.6388 0.6814 0.7031 1.0087 1.0112 1.6347 1.6517 1.8037 1.8232 2.1284 2.1344 2.2379 2.2691 2.3021 2.3180 2.3666 2.3861 2.4585 2.4639 2.6049 2.6154 2.9993 3.0070 3.1816 3.1831 3.2355 3.2561 4.1903 4.1931 5.0333 5.0341 5.9141 5.9297 6.4911 6.5136 6.9699 6.9760 7.3304 7.3384 7.6095 7.6543 8.8805 8.9117 10.1571 10.1862 10.4204 10.4384 11.6692 11.7673 12.6856 12.6916 k = 0.4653 0.3488-0.0000 ( 5348 PWs) bands (ev): -2.9503 -2.9498 -2.8445 -2.8429 -2.5933 -2.5914 0.3332 0.3439 0.4002 0.4157 0.5572 0.5745 0.6130 0.6401 0.6834 0.7085 1.0054 1.0084 1.6348 1.6561 1.8038 1.8280 2.1291 2.1367 2.2358 2.2742 2.3010 2.3211 2.3661 2.3895 2.4593 2.4666 2.6012 2.6149 2.9955 3.0047 3.1863 3.1886 3.2397 3.2641 4.2070 4.2101 4.9330 4.9340 5.9455 5.9583 6.5459 6.5719 6.9377 6.9451 7.2730 7.2824 7.5573 7.6072 8.8879 8.9247 10.2528 10.2893 10.4648 10.4939 11.6493 11.7697 12.6789 12.6939 k = 0.4583 0.3608-0.0000 ( 5346 PWs) bands (ev): -2.9453 -2.9446 -2.8405 -2.8386 -2.5958 -2.5935 0.3319 0.3445 0.3965 0.4156 0.5619 0.5811 0.6118 0.6405 0.6870 0.7144 1.0014 1.0049 1.6353 1.6609 1.8044 1.8331 2.1299 2.1394 2.2341 2.2792 2.3001 2.3243 2.3661 2.3930 2.4605 2.4698 2.5972 2.6143 2.9911 3.0012 3.1921 3.1952 3.2459 3.2733 4.2270 4.2302 4.8282 4.8313 5.9710 5.9791 6.5971 6.6262 6.9005 6.9084 7.2133 7.2240 7.5105 7.5623 8.8998 8.9416 10.3455 10.3886 10.5147 10.5552 11.6461 11.7868 12.6129 12.6641 k = 0.4514 0.3729-0.0000 ( 5334 PWs) bands (ev): -2.9394 -2.9387 -2.8358 -2.8336 -2.5986 -2.5959 0.3306 0.3452 0.3927 0.4156 0.5675 0.5871 0.6121 0.6402 0.6920 0.7207 0.9969 1.0007 1.6361 1.6661 1.8056 1.8387 2.1309 2.1423 2.2328 2.2835 2.2998 2.3274 2.3668 2.3965 2.4620 2.4736 2.5931 2.6137 2.9858 2.9964 3.1991 3.2032 3.2543 3.2839 4.2502 4.2530 4.7223 4.7277 5.9893 5.9908 6.6314 6.6614 6.8642 6.8702 7.1603 7.1723 7.4730 7.5239 8.9164 8.9628 10.4118 10.4479 10.5945 10.6318 11.6667 11.8246 12.5160 12.5945 k = 0.4444 0.3849-0.0000 ( 5330 PWs) bands (ev): -2.9329 -2.9320 -2.8305 -2.8280 -2.6019 -2.5988 0.3294 0.3458 0.3889 0.4157 0.5737 0.5913 0.6148 0.6392 0.6982 0.7274 0.9918 0.9958 1.6371 1.6716 1.8075 1.8447 2.1319 2.1454 2.2319 2.2864 2.3008 2.3304 2.3681 2.3997 2.4638 2.4781 2.5890 2.6134 2.9795 2.9902 3.2073 3.2125 3.2648 3.2959 4.2759 4.2775 4.6173 4.6255 5.9915 5.9984 6.6351 6.6609 6.8324 6.8328 7.1298 7.1419 7.4464 7.4940 8.9379 8.9886 10.4338 10.4577 10.7040 10.7301 11.7153 11.8864 12.4147 12.5088 k = 0.4375 0.3969-0.0000 ( 5330 PWs) bands (ev): -2.9256 -2.9247 -2.8246 -2.8218 -2.6056 -2.6021 0.3282 0.3464 0.3851 0.4159 0.5803 0.5932 0.6203 0.6380 0.7054 0.7346 0.9862 0.9901 1.6384 1.6774 1.8099 1.8509 2.1330 2.1487 2.2315 2.2873 2.3034 2.3330 2.3698 2.4027 2.4662 2.4834 2.5853 2.6134 2.9720 2.9824 3.2171 3.2232 3.2775 3.3095 4.3018 4.3030 4.5155 4.5279 5.9784 5.9952 6.6059 6.6275 6.7924 6.7927 7.1363 7.1436 7.4308 7.4735 8.9640 9.0191 10.4168 10.4378 10.8156 10.8362 11.7910 11.9722 12.3253 12.4279 k = 0.4306 0.4090-0.0000 ( 5334 PWs) bands (ev): -2.9178 -2.9167 -2.8181 -2.8151 -2.6097 -2.6058 0.3271 0.3470 0.3814 0.4162 0.5871 0.5935 0.6279 0.6367 0.7134 0.7421 0.9800 0.9838 1.6398 1.6833 1.8128 1.8573 2.1339 2.1522 2.2316 2.2866 2.3073 2.3351 2.3720 2.4052 2.4692 2.4895 2.5820 2.6138 2.9633 2.9729 3.2284 3.2353 3.2923 3.3246 4.3164 4.3251 4.4240 4.4450 5.9493 5.9766 6.5523 6.5768 6.7415 6.7514 7.1712 7.1735 7.4264 7.4623 8.9944 9.0542 10.3719 10.3978 10.9130 10.9316 11.8881 12.0792 12.2624 12.3669 k = 0.4236 0.4210-0.0000 ( 5336 PWs) bands (ev): -2.9094 -2.9082 -2.8112 -2.8079 -2.6142 -2.6100 0.3261 0.3477 0.3779 0.4167 0.5930 0.5938 0.6355 0.6366 0.7220 0.7501 0.9734 0.9769 1.6413 1.6894 1.8163 1.8638 2.1348 2.1557 2.2321 2.2852 2.3115 2.3366 2.3743 2.4072 2.4729 2.4963 2.5796 2.6146 2.9531 2.9615 3.2414 3.2490 3.3091 3.3413 4.2844 4.2930 4.3923 4.4141 5.9032 5.9402 6.4799 6.5132 6.6956 6.7219 7.2083 7.2236 7.4341 7.4607 9.0286 9.0936 10.3080 10.3435 10.9834 10.9995 11.9969 12.2017 12.2438 12.3403 k = 0.4167 0.4330-0.0000 ( 5342 PWs) bands (ev): -2.9006 -2.8993 -2.8038 -2.8002 -2.6191 -2.6145 0.3252 0.3485 0.3747 0.4173 0.5923 0.6002 0.6349 0.6457 0.7312 0.7585 0.9663 0.9692 1.6429 1.6956 1.8203 1.8703 2.1354 2.1592 2.2332 2.2833 2.3157 2.3373 2.3767 2.4084 2.4777 2.5039 2.5783 2.6159 2.9413 2.9482 3.2562 3.2641 3.3278 3.3597 4.2085 4.2095 4.4182 4.4327 5.8420 5.8868 6.3934 6.4349 6.6703 6.7105 7.2423 7.2730 7.4552 7.4702 9.0659 9.1371 10.2316 10.2798 11.0170 11.0270 12.1053 12.2879 12.3172 12.3765 k = 0.4097 0.4450-0.0000 ( 5330 PWs) bands (ev): -2.8915 -2.8901 -2.7960 -2.7922 -2.6245 -2.6195 0.3244 0.3493 0.3717 0.4181 0.5917 0.6055 0.6352 0.6549 0.7408 0.7671 0.9588 0.9610 1.6444 1.7018 1.8248 1.8765 2.1358 2.1624 2.2347 2.2813 2.3199 2.3373 2.3788 2.4087 2.4835 2.5122 2.5783 2.6177 2.9277 2.9329 3.2727 3.2809 3.3483 3.3796 4.1241 4.1262 4.4521 4.4635 5.7696 5.8201 6.2982 6.3448 6.6671 6.7163 7.2673 7.3130 7.4883 7.4930 9.1055 9.1840 10.1479 10.2114 11.0108 11.0108 12.2134 12.3923 12.3930 12.5071 k = 0.4028 0.4571-0.0000 ( 5320 PWs) bands (ev): -2.8822 -2.8807 -2.7879 -2.7838 -2.6302 -2.6249 0.3238 0.3502 0.3690 0.4190 0.5911 0.6092 0.6371 0.6642 0.7507 0.7760 0.9510 0.9522 1.6460 1.7080 1.8296 1.8823 2.1361 2.1654 2.2368 2.2791 2.3239 2.3366 2.3806 2.4080 2.4905 2.5208 2.5800 2.6200 2.9123 2.9157 3.2910 3.2992 3.3702 3.4009 4.0431 4.0464 4.4876 4.4973 5.6909 5.7451 6.1991 6.2487 6.6804 6.7351 7.2842 7.3407 7.5280 7.5288 9.1460 9.2334 10.0612 10.1423 10.9585 10.9702 12.3356 12.4905 12.5303 12.6616 k = 0.3958 0.4691-0.0000 ( 5328 PWs) bands (ev): -2.8728 -2.8712 -2.7795 -2.7753 -2.6364 -2.6307 0.3233 0.3511 0.3666 0.4200 0.5907 0.6109 0.6407 0.6734 0.7608 0.7849 0.9429 0.9429 1.6474 1.7141 1.8347 1.8875 2.1362 2.1679 2.2394 2.2770 2.3280 2.3354 2.3818 2.4064 2.4986 2.5293 2.5838 2.6228 2.8951 2.8967 3.3110 3.3190 3.3934 3.4233 3.9678 3.9713 4.5227 4.5311 5.6106 5.6673 6.0992 6.1507 6.7050 6.7631 7.2961 7.3590 7.5696 7.5707 9.1859 9.2839 9.9754 10.0767 10.8821 10.9047 12.4755 12.6141 12.6823 12.8222 k = 0.3889 0.4811-0.0000 ( 5328 PWs) bands (ev): -2.8635 -2.8618 -2.7710 -2.7665 -2.6430 -2.6369 0.3229 0.3521 0.3645 0.4211 0.5905 0.6111 0.6457 0.6824 0.7709 0.7939 0.9332 0.9346 1.6487 1.7201 1.8401 1.8917 2.1362 2.1698 2.2424 2.2749 2.3320 2.3338 2.3825 2.4038 2.5076 2.5374 2.5899 2.6262 2.8761 2.8762 3.3325 3.3403 3.4174 3.4467 3.8990 3.9019 4.5557 4.5630 5.5332 5.5914 6.0006 6.0533 6.7369 6.7971 7.3059 7.3724 7.6096 7.6120 9.2230 9.3331 9.8950 10.0189 10.7919 10.8235 12.6275 12.7548 12.8395 12.9843 k = 0.3819 0.4932-0.0000 ( 5324 PWs) bands (ev): -2.8544 -2.8526 -2.7623 -2.7577 -2.6500 -2.6435 0.3226 0.3531 0.3628 0.4221 0.5905 0.6102 0.6514 0.6911 0.7810 0.8027 0.9232 0.9262 1.6500 1.7259 1.8456 1.8948 2.1364 2.1709 2.2457 2.2729 2.3322 2.3361 2.3826 2.4005 2.5171 2.5444 2.5986 2.6302 2.8541 2.8558 3.3554 3.3630 3.4416 3.4705 3.8369 3.8385 4.5850 4.5911 5.4629 5.5218 5.9050 5.9584 6.7732 6.8342 7.3156 7.3837 7.6426 7.6507 9.2548 9.3769 9.8258 9.9731 10.6950 10.7338 12.7850 12.9044 12.9969 13.1443 k = 0.3750 0.5052-0.0000 ( 5332 PWs) bands (ev): -2.8457 -2.8439 -2.7536 -2.7489 -2.6573 -2.6506 0.3224 0.3540 0.3613 0.4232 0.5908 0.6089 0.6571 0.6994 0.7908 0.8111 0.9132 0.9179 1.6510 1.7315 1.8512 1.8965 2.1369 2.1711 2.2491 2.2711 2.3308 2.3402 2.3824 2.3964 2.5269 2.5504 2.6098 2.6351 2.8314 2.8342 3.3796 3.3869 3.4653 3.4940 3.7813 3.7816 4.6086 4.6133 5.4040 5.4628 5.8135 5.8674 6.8114 6.8718 7.3267 7.3945 7.6676 7.6834 9.2787 9.4078 9.7767 9.9437 10.5964 10.6404 12.9420 13.0554 13.1503 13.2979 k = 0.3681 0.5172-0.0000 ( 5332 PWs) bands (ev): -2.8375 -2.8357 -2.7449 -2.7401 -2.6650 -2.6579 0.3224 0.3549 0.3601 0.4241 0.5914 0.6072 0.6625 0.7073 0.8001 0.8187 0.9034 0.9097 1.6520 1.7366 1.8567 1.8967 2.1379 2.1703 2.2523 2.2694 2.3300 2.3445 2.3818 2.3916 2.5363 2.5553 2.6232 2.6410 2.8082 2.8121 3.4046 3.4119 3.4876 3.5165 3.7301 3.7329 4.6245 4.6276 5.3605 5.4181 5.7273 5.7813 6.8495 6.9073 7.3409 7.4059 7.6831 7.7082 9.2934 9.4166 9.7580 9.9334 10.4996 10.5469 13.0922 13.2013 13.2957 13.4392 k = 0.3611 0.5292-0.0000 ( 5328 PWs) bands (ev): -2.8301 -2.8283 -2.7363 -2.7315 -2.6730 -2.6656 0.3223 0.3558 0.3592 0.4250 0.5922 0.6055 0.6675 0.7145 0.8087 0.8252 0.8945 0.9021 1.6527 1.7413 1.8622 1.8953 2.1395 2.1685 2.2552 2.2678 2.3300 2.3489 2.3809 2.3864 2.5450 2.5593 2.6382 2.6479 2.7854 2.7899 3.4302 3.4377 3.5074 3.5371 3.6850 3.6906 4.6319 4.6330 5.3352 5.3905 5.6475 5.7014 6.8856 6.9379 7.3597 7.4182 7.6883 7.7244 9.2997 9.4021 9.7718 9.9424 10.4076 10.4559 13.2290 13.3349 13.4279 13.5599 k = 0.3542 0.5413-0.0000 ( 5330 PWs) bands (ev): -2.8236 -2.8220 -2.7279 -2.7232 -2.6811 -2.6734 0.3223 0.3565 0.3585 0.4257 0.5933 0.6036 0.6716 0.7209 0.8163 0.8299 0.8872 0.8951 1.6533 1.7454 1.8674 1.8926 2.1419 2.1657 2.2577 2.2664 2.3310 2.3534 2.3797 2.3808 2.5525 2.5625 2.6542 2.6559 2.7638 2.7685 3.4557 3.4638 3.5232 3.5544 3.6461 3.6544 4.6306 4.6312 5.3288 5.3812 5.5750 5.6286 6.9178 6.9612 7.3837 7.4314 7.6834 7.7318 9.3006 9.3747 9.8072 9.9684 10.3235 10.3693 13.3444 13.4484 13.5411 13.6505 k = 0.3472 0.5533-0.0000 ( 5328 PWs) bands (ev): -2.8184 -2.8172 -2.7198 -2.7154 -2.6891 -2.6812 0.3224 0.3570 0.3580 0.4263 0.5947 0.6017 0.6748 0.7261 0.8226 0.8322 0.8826 0.8893 1.6537 1.7486 1.8723 1.8889 2.1450 2.1621 2.2598 2.2651 2.3327 2.3579 2.3751 2.3784 2.5583 2.5646 2.6646 2.6706 2.7442 2.7490 3.4801 3.4897 3.5335 3.5674 3.6141 3.6243 4.6236 4.6253 5.3398 5.3889 5.5108 5.5643 6.9446 6.9757 7.4123 7.4445 7.6696 7.7317 9.3003 9.3461 9.8501 10.0069 10.2518 10.2894 13.4304 13.5339 13.6291 13.7049 k = 0.3403 0.5653-0.0000 ( 5336 PWs) bands (ev): -2.8148 -2.8141 -2.7120 -2.7087 -2.6969 -2.6881 0.3224 0.3574 0.3577 0.4266 0.5963 0.5999 0.6768 0.7295 0.8273 0.8318 0.8811 0.8849 1.6539 1.7506 1.8768 1.8848 2.1488 2.1578 2.2614 2.2638 2.3345 2.3623 2.3698 2.3770 2.5625 2.5655 2.6723 2.6855 2.7288 2.7331 3.5003 3.5134 3.5358 3.5751 3.5923 3.6008 4.6167 4.6182 5.3644 5.4091 5.4567 5.5111 6.9644 6.9807 7.4407 7.4548 7.6519 7.7271 9.3022 9.3231 9.8870 10.0507 10.2009 10.2208 13.4812 13.5858 13.6880 13.7245 k = 0.3333 0.5774-0.0000 ( 5340 PWs) bands (ev): -2.8132 -2.8132 -2.7056 -2.7056 -2.7031 -2.6916 0.3224 0.3576 0.3576 0.4267 0.5980 0.5980 0.6774 0.7308 0.8301 0.8301 0.8821 0.8821 1.6540 1.7514 1.8808 1.8808 2.1532 2.1532 2.2627 2.2627 2.3355 2.3659 2.3659 2.3763 2.5649 2.5649 2.6759 2.6927 2.7242 2.7242 3.5094 3.5295 3.5296 3.5783 3.5872 3.5872 4.6142 4.6142 5.3874 5.4253 5.4253 5.4834 6.9766 6.9766 7.4570 7.4570 7.6418 7.7239 9.3088 9.3088 9.9020 10.0773 10.1839 10.1839 13.4971 13.6026 13.7178 13.7178 k = 0.3333 0.5774-0.0000 ( 5340 PWs) bands (ev): -2.8132 -2.8132 -2.7056 -2.7056 -2.7031 -2.6916 0.3224 0.3576 0.3576 0.4267 0.5980 0.5980 0.6774 0.7308 0.8301 0.8301 0.8821 0.8821 1.6540 1.7514 1.8808 1.8808 2.1532 2.1532 2.2627 2.2627 2.3355 2.3659 2.3659 2.3763 2.5649 2.5649 2.6759 2.6927 2.7242 2.7242 3.5094 3.5295 3.5296 3.5783 3.5872 3.5872 4.6142 4.6142 5.3874 5.4253 5.4253 5.4834 6.9766 6.9766 7.4570 7.4570 7.6418 7.7239 9.3088 9.3088 9.9020 10.0773 10.1839 10.1839 13.4971 13.6026 13.7178 13.7178 k = 0.3264 0.5653-0.0000 ( 5332 PWs) bands (ev): -2.8151 -2.8141 -2.7109 -2.7089 -2.6973 -2.6886 0.3224 0.3575 0.3576 0.4266 0.5962 0.5999 0.6767 0.7294 0.8286 0.8311 0.8810 0.8845 1.6539 1.7506 1.8775 1.8842 2.1486 2.1580 2.2616 2.2637 2.3341 2.3646 2.3673 2.3776 2.5624 2.5655 2.6722 2.6881 2.7251 2.7343 3.5010 3.5198 3.5293 3.5713 3.5968 3.5993 4.6170 4.6197 5.3655 5.4067 5.4578 5.5100 6.9646 6.9809 7.4445 7.4447 7.6561 7.7294 9.3043 9.3213 9.8884 10.0501 10.2065 10.2138 13.4837 13.5872 13.6950 13.7225 k = 0.3194 0.5533-0.0000 ( 5335 PWs) bands (ev): -2.8201 -2.8178 -2.7161 -2.7142 -2.6908 -2.6832 0.3223 0.3572 0.3577 0.4263 0.5944 0.6018 0.6746 0.7253 0.8283 0.8308 0.8809 0.8873 1.6538 1.7483 1.8756 1.8869 2.1444 2.1631 2.2605 2.2644 2.3301 2.3661 2.3661 2.3813 2.5577 2.5645 2.6644 2.6817 2.7323 2.7487 3.4846 3.5057 3.5183 3.5589 3.6193 3.6207 4.6288 4.6351 5.3415 5.3828 5.5095 5.5594 6.9455 6.9774 7.4027 7.4140 7.6949 7.7478 9.3095 9.3401 9.8583 10.0047 10.2560 10.2737 13.4482 13.5454 13.6639 13.7075 k = 0.3125 0.5413-0.0000 ( 5337 PWs) bands (ev): -2.8284 -2.8247 -2.7201 -2.7191 -2.6849 -2.6777 0.3221 0.3567 0.3579 0.4256 0.5927 0.6037 0.6712 0.7188 0.8294 0.8295 0.8814 0.8899 1.6537 1.7447 1.8751 1.8890 2.1408 2.1681 2.2594 2.2647 2.3244 2.3638 2.3695 2.3858 2.5510 2.5618 2.6564 2.6775 2.7411 2.7628 3.4643 3.4902 3.5027 3.5451 3.6455 3.6456 4.6506 4.6609 5.3271 5.3670 5.5675 5.6168 6.9203 6.9668 7.3433 7.3669 7.7470 7.7781 9.3236 9.3648 9.8247 9.9624 10.3192 10.3416 13.3970 13.4847 13.6275 13.6782 k = 0.3056 0.5292-0.0000 ( 5329 PWs) bands (ev): -2.8398 -2.8347 -2.7232 -2.7232 -2.6797 -2.6726 0.3218 0.3559 0.3581 0.4248 0.5909 0.6055 0.6666 0.7107 0.8278 0.8316 0.8816 0.8920 1.6535 1.7402 1.8760 1.8903 2.1379 2.1731 2.2582 2.2644 2.3180 2.3610 2.3736 2.3907 2.5426 2.5577 2.6499 2.6758 2.7491 2.7748 3.4382 3.4796 3.4816 3.5350 3.6719 3.6729 4.6822 4.6968 5.3234 5.3613 5.6296 5.6791 6.8901 6.9497 7.2739 7.3075 7.8050 7.8168 9.3457 9.3950 9.7944 9.9273 10.3891 10.4130 13.3345 13.4118 13.5871 13.6390 k = 0.2986 0.5172-0.0000 ( 5331 PWs) bands (ev): -2.8540 -2.8479 -2.7265 -2.7256 -2.6751 -2.6682 0.3214 0.3548 0.3583 0.4237 0.5890 0.6071 0.6611 0.7015 0.8257 0.8344 0.8814 0.8935 1.6535 1.7352 1.8782 1.8909 2.1360 2.1777 2.2570 2.2635 2.3117 2.3580 2.3780 2.3954 2.5329 2.5523 2.6453 2.6762 2.7549 2.7837 3.4078 3.4551 3.4758 3.5313 3.6991 3.7010 4.7229 4.7418 5.3303 5.3660 5.6948 5.7448 6.8554 6.9272 7.1986 7.2399 7.8606 7.8657 9.3746 9.4298 9.7701 9.9004 10.4625 10.4863 13.2640 13.3311 13.5436 13.5930 k = 0.2917 0.5052-0.0000 ( 5343 PWs) bands (ev): -2.8709 -2.8639 -2.7294 -2.7278 -2.6712 -2.6644 0.3209 0.3536 0.3586 0.4223 0.5870 0.6084 0.6550 0.6920 0.8232 0.8370 0.8804 0.8943 1.6537 1.7303 1.8814 1.8908 2.1350 2.1819 2.2557 2.2615 2.3059 2.3549 2.3822 2.4001 2.5225 2.5458 2.6425 2.6778 2.7576 2.7891 3.3761 3.4257 3.4788 3.5342 3.7269 3.7297 4.7716 4.7947 5.3478 5.3811 5.7624 5.8130 6.8172 6.8999 7.1199 7.1672 7.9072 7.9270 9.4092 9.4683 9.7530 9.8820 10.5379 10.5608 13.1879 13.2457 13.4977 13.5423 k = 0.2847 0.4932-0.0000 ( 5339 PWs) bands (ev): -2.8901 -2.8825 -2.7322 -2.7299 -2.6681 -2.6614 0.3202 0.3521 0.3588 0.4208 0.5849 0.6094 0.6486 0.6827 0.8204 0.8392 0.8784 0.8945 1.6542 1.7259 1.8852 1.8899 2.1347 2.1855 2.2542 2.2584 2.3010 2.3518 2.3860 2.4044 2.5116 2.5388 2.6409 2.6798 2.7568 2.7906 3.3453 3.3960 3.4888 3.5433 3.7555 3.7592 4.8271 4.8542 5.3754 5.4062 5.8316 5.8829 6.7760 6.8689 7.0397 7.0921 7.9549 7.9877 9.4485 9.5100 9.7435 9.8722 10.6145 10.6359 13.1082 13.1577 13.4503 13.4884 k = 0.2778 0.4811-0.0000 ( 5337 PWs) bands (ev): -2.9115 -2.9033 -2.7349 -2.7322 -2.6658 -2.6592 0.3194 0.3505 0.3589 0.4190 0.5826 0.6098 0.6423 0.6740 0.8170 0.8403 0.8755 0.8940 1.6549 1.7222 1.8884 1.8895 2.1350 2.1884 2.2525 2.2542 2.2972 2.3488 2.3894 2.4084 2.5007 2.5313 2.6402 2.6813 2.7522 2.7885 3.3174 3.3680 3.5057 3.5584 3.7849 3.7895 4.8882 4.9192 5.4126 5.4408 5.9021 5.9537 6.7327 6.8349 6.9595 7.0165 8.0027 8.0471 9.4917 9.5538 9.7413 9.8709 10.6917 10.7113 13.0264 13.0684 13.4019 13.4322 k = 0.2708 0.4691-0.0000 ( 5345 PWs) bands (ev): -2.9347 -2.9263 -2.7379 -2.7349 -2.6644 -2.6578 0.3185 0.3487 0.3589 0.4170 0.5800 0.6095 0.6362 0.6663 0.8129 0.8402 0.8716 0.8929 1.6559 1.7194 1.8863 1.8939 2.1356 2.1907 2.2490 2.2505 2.2944 2.3457 2.3922 2.4120 2.4898 2.5237 2.6399 2.6813 2.7440 2.7834 3.2939 3.3434 3.5295 3.5793 3.8152 3.8206 4.9538 4.9886 5.4587 5.4842 5.9733 6.0248 6.6878 6.7985 6.8809 6.9428 8.0497 8.1044 9.5380 9.5993 9.7459 9.8778 10.7692 10.7867 12.9435 12.9791 13.3530 13.3744 k = 0.2639 0.4571-0.0000 ( 5343 PWs) bands (ev): -2.9599 -2.9512 -2.7412 -2.7379 -2.6638 -2.6572 0.3174 0.3468 0.3588 0.4149 0.5771 0.6085 0.6305 0.6597 0.8081 0.8385 0.8666 0.8912 1.6572 1.7175 1.8836 1.8983 2.1359 2.1922 2.2435 2.2483 2.2922 2.3426 2.3943 2.4151 2.4792 2.5161 2.6393 2.6788 2.7327 2.7764 3.2761 3.3234 3.5596 3.6060 3.8467 3.8528 5.0230 5.0612 5.5132 5.5359 6.0449 6.0952 6.6421 6.7598 6.8053 6.8738 8.0956 8.1592 9.5869 9.6457 9.7568 9.8923 10.8467 10.8618 12.8607 12.8905 13.3037 13.3154 k = 0.2569 0.4450-0.0000 ( 5351 PWs) bands (ev): -2.9867 -2.9779 -2.7449 -2.7414 -2.6641 -2.6576 0.3163 0.3449 0.3585 0.4126 0.5739 0.6067 0.6255 0.6545 0.8026 0.8351 0.8607 0.8890 1.6589 1.7166 1.8805 1.9025 2.1357 2.1929 2.2382 2.2457 2.2906 2.3395 2.3959 2.4177 2.4690 2.5087 2.6380 2.6731 2.7188 2.7685 3.2649 3.3091 3.5957 3.6379 3.8792 3.8859 5.0948 5.1360 5.5752 5.5949 6.1162 6.1637 6.5959 6.7178 6.7348 6.8135 8.1399 8.2111 9.6375 9.6925 9.7729 9.9139 10.9238 10.9363 12.7784 12.8034 13.2541 13.2558 k = 0.2500 0.4330-0.0000 ( 5345 PWs) bands (ev): -3.0151 -3.0064 -2.7490 -2.7453 -2.6652 -2.6588 0.3151 0.3429 0.3580 0.4101 0.5703 0.6042 0.6212 0.6505 0.7961 0.8300 0.8540 0.8861 1.6607 1.7164 1.8769 1.9065 2.1343 2.1930 2.2335 2.2428 2.2891 2.3362 2.3967 2.4197 2.4593 2.5016 2.6353 2.6642 2.7036 2.7603 3.2609 3.3010 3.6370 3.6749 3.9128 3.9198 5.1683 5.2117 5.6441 5.6604 6.1865 6.2287 6.5496 6.6708 6.6717 6.7672 8.1826 8.2599 9.6895 9.7392 9.7932 9.9417 11.0004 11.0099 12.6974 12.7180 13.1961 13.2037 k = 0.2431 0.4210-0.0000 ( 5345 PWs) bands (ev): -3.0450 -3.0363 -2.7534 -2.7497 -2.6672 -2.6609 0.3138 0.3408 0.3573 0.4074 0.5665 0.6011 0.6176 0.6476 0.7890 0.8234 0.8464 0.8825 1.6627 1.7170 1.8730 1.9100 2.1316 2.1923 2.2299 2.2396 2.2878 2.3327 2.3969 2.4212 2.4502 2.4950 2.6304 2.6524 2.6880 2.7520 3.2644 3.2994 3.6831 3.7164 3.9471 3.9543 5.2425 5.2873 5.7191 5.7316 6.2542 6.2876 6.5037 6.6192 6.6206 6.7381 8.2236 8.3053 9.7423 9.7853 9.8168 9.9748 11.0761 11.0823 12.6179 12.6347 13.1369 13.1513 k = 0.2361 0.4090-0.0000 ( 5337 PWs) bands (ev): -3.0763 -3.0677 -2.7582 -2.7545 -2.6702 -2.6639 0.3125 0.3388 0.3564 0.4047 0.5623 0.5977 0.6147 0.6455 0.7811 0.8153 0.8382 0.8781 1.6648 1.7180 1.8688 1.9131 2.1273 2.1910 2.2274 2.2363 2.2865 2.3289 2.3965 2.4221 2.4418 2.4888 2.6224 2.6386 2.6736 2.7434 3.2751 3.3043 3.7335 3.7621 3.9820 3.9891 5.3163 5.3611 5.7995 5.8073 6.3154 6.3369 6.4609 6.5721 6.5809 6.7268 8.2628 8.3473 9.7953 9.8307 9.8427 10.0122 11.1503 11.1530 12.5401 12.5535 13.0789 13.0956 k = 0.2292 0.3969-0.0000 ( 5347 PWs) bands (ev): -3.1088 -3.1004 -2.7634 -2.7597 -2.6739 -2.6678 0.3113 0.3367 0.3551 0.4018 0.5580 0.5941 0.6123 0.6441 0.7725 0.8059 0.8293 0.8727 1.6669 1.7193 1.8644 1.9156 2.1217 2.1892 2.2260 2.2329 2.2852 2.3248 2.3955 2.4225 2.4342 2.4832 2.6111 2.6239 2.6614 2.7344 3.2925 3.3156 3.7878 3.8116 4.0168 4.0238 5.3887 5.4314 5.8844 5.8862 6.3542 6.3729 6.4349 6.5309 6.5621 6.7348 8.3004 8.3858 9.8469 9.8709 9.8748 10.0529 11.2214 11.2227 12.4641 12.4742 13.0228 13.0365 k = 0.2222 0.3849-0.0000 ( 5343 PWs) bands (ev): -3.1424 -3.1342 -2.7689 -2.7653 -2.6786 -2.6725 0.3100 0.3347 0.3536 0.3988 0.5536 0.5906 0.6104 0.6430 0.7635 0.7954 0.8200 0.8664 1.6689 1.7207 1.8597 1.9174 2.1150 2.1867 2.2254 2.2297 2.2838 2.3203 2.3940 2.4225 2.4275 2.4781 2.5970 2.6091 2.6512 2.7248 3.3160 3.3326 3.8457 3.8645 4.0512 4.0580 5.4585 5.4965 5.9663 5.9725 6.3440 6.3939 6.4471 6.5019 6.5716 6.7622 8.3365 8.4210 9.8883 9.9089 9.9174 10.0959 11.2869 11.2922 12.3902 12.3969 12.9693 12.9770 k = 0.2153 0.3729-0.0000 ( 5361 PWs) bands (ev): -3.1769 -3.1690 -2.7747 -2.7712 -2.6841 -2.6781 0.3088 0.3326 0.3517 0.3957 0.5489 0.5873 0.6089 0.6421 0.7540 0.7840 0.8103 0.8592 1.6707 1.7220 1.8550 1.9185 2.1078 2.1838 2.2252 2.2269 2.2825 2.3155 2.3920 2.4216 2.4219 2.4733 2.5816 2.5948 2.6424 2.7148 3.3447 3.3549 3.9068 3.9201 4.0845 4.0915 5.5244 5.5544 6.0441 6.0609 6.3190 6.4040 6.4665 6.4895 6.6112 6.8056 8.3711 8.4528 9.9164 9.9580 9.9586 10.1405 11.3482 11.3575 12.3189 12.3216 12.9186 12.9198 k = 0.2083 0.3608-0.0000 ( 5343 PWs) bands (ev): -3.2122 -3.2045 -2.7808 -2.7774 -2.6903 -2.6845 0.3076 0.3306 0.3496 0.3926 0.5441 0.5841 0.6077 0.6413 0.7443 0.7719 0.8003 0.8511 1.6723 1.7232 1.8501 1.9188 2.1004 2.1804 2.2245 2.2250 2.2811 2.3104 2.3895 2.4166 2.4210 2.4688 2.5661 2.5813 2.6343 2.7044 3.3776 3.3814 3.9707 3.9774 4.1164 4.1247 5.5853 5.6036 6.1142 6.1415 6.3083 6.4147 6.4880 6.4944 6.6676 6.8599 8.4044 8.4813 9.9407 9.9964 10.0096 10.1860 11.4036 11.4165 12.2492 12.2516 12.8662 12.8705 k = 0.2014 0.3488-0.0000 ( 5357 PWs) bands (ev): -3.2481 -3.2407 -2.7872 -2.7838 -2.6973 -2.6916 0.3065 0.3285 0.3471 0.3893 0.5391 0.5811 0.6069 0.6406 0.7344 0.7593 0.7902 0.8422 1.6736 1.7240 1.8450 1.9183 2.0933 2.1768 2.2228 2.2247 2.2798 2.3051 2.3867 2.4126 2.4196 2.4642 2.5515 2.5689 2.6264 2.6939 3.4115 3.4138 4.0337 4.0361 4.1472 4.1592 5.6401 5.6433 6.1697 6.1906 6.3397 6.4388 6.5163 6.5189 6.7302 6.9208 8.4365 8.5065 9.9626 10.0322 10.0597 10.2318 11.4502 11.4657 12.1816 12.1911 12.8164 12.8248 k = 0.1944 0.3368-0.0000 ( 5351 PWs) bands (ev): -3.2844 -3.2774 -2.7937 -2.7905 -2.7051 -2.6995 0.3055 0.3264 0.3443 0.3859 0.5339 0.5782 0.6064 0.6398 0.7245 0.7464 0.7802 0.8326 1.6746 1.7245 1.8399 1.9170 2.0868 2.1730 2.2217 2.2239 2.2785 2.2997 2.3835 2.4094 2.4177 2.4595 2.5383 2.5576 2.6187 2.6833 3.4443 3.4523 4.0839 4.0989 4.1803 4.1995 5.6740 5.6885 6.2042 6.2084 6.4185 6.4774 6.5599 6.5620 6.7952 6.9852 8.4673 8.5285 9.9825 10.0657 10.1085 10.2773 11.4836 11.4998 12.1227 12.1418 12.7703 12.7812 k = 0.1875 0.3248-0.0000 ( 5353 PWs) bands (ev): -3.3211 -3.3143 -2.8004 -2.7973 -2.7135 -2.7080 0.3046 0.3243 0.3413 0.3825 0.5283 0.5753 0.6061 0.6390 0.7147 0.7334 0.7704 0.8225 1.6752 1.7245 1.8346 1.9149 2.0810 2.1691 2.2212 2.2227 2.2772 2.2941 2.3801 2.4070 2.4153 2.4545 2.5269 2.5475 2.6110 2.6729 3.4788 3.4923 4.1214 4.1470 4.2271 4.2518 5.6975 5.7307 6.2109 6.2372 6.5165 6.5213 6.6165 6.6290 6.8612 7.0515 8.4968 8.5472 10.0005 10.0971 10.1555 10.3220 11.4977 11.5121 12.0778 12.1094 12.7280 12.7400 k = 0.1806 0.3127-0.0000 ( 5357 PWs) bands (ev): -3.3578 -3.3514 -2.8073 -2.8044 -2.7225 -2.7172 0.3038 0.3221 0.3380 0.3790 0.5225 0.5725 0.6060 0.6380 0.7050 0.7205 0.7608 0.8121 1.6757 1.7240 1.8291 1.9119 2.0761 2.1654 2.2211 2.2213 2.2758 2.2886 2.3767 2.4053 2.4123 2.4492 2.5173 2.5385 2.6035 2.6627 3.5142 3.5328 4.1445 4.1730 4.2945 4.3173 5.7160 5.7680 6.2234 6.2648 6.5680 6.6207 6.6810 6.7175 6.9279 7.1186 8.5250 8.5626 10.0172 10.1270 10.2007 10.3656 11.4863 11.4976 12.0522 12.0979 12.6899 12.7023 k = 0.1736 0.3007-0.0000 ( 5365 PWs) bands (ev): -3.3945 -3.3884 -2.8143 -2.8115 -2.7320 -2.7269 0.3031 0.3198 0.3345 0.3754 0.5162 0.5697 0.6062 0.6369 0.6956 0.7079 0.7517 0.8015 1.6758 1.7231 1.8235 1.9081 2.0721 2.1619 2.2191 2.2216 2.2743 2.2833 2.3733 2.4041 2.4086 2.4439 2.5097 2.5304 2.5961 2.6527 3.5498 3.5730 4.1566 4.1856 4.3737 4.3924 5.7324 5.8018 6.2451 6.2968 6.6184 6.7237 6.7561 6.8171 6.9957 7.1857 8.5516 8.5747 10.0335 10.1561 10.2438 10.4075 11.4477 11.4563 12.0466 12.1051 12.6571 12.6702 k = 0.1667 0.2887-0.0000 ( 5365 PWs) bands (ev): -3.4310 -3.4252 -2.8214 -2.8187 -2.7421 -2.7371 0.3025 0.3175 0.3308 0.3718 0.5096 0.5666 0.6065 0.6356 0.6866 0.6959 0.7431 0.7908 1.6758 1.7217 1.8178 1.9037 2.0689 2.1586 2.2169 2.2222 2.2727 2.2784 2.3700 2.4032 2.4043 2.4388 2.5036 2.5233 2.5888 2.6431 3.5846 3.6120 4.1606 4.1900 4.4594 4.4743 5.7488 5.8342 6.2770 6.3358 6.6724 6.8099 6.8525 6.9229 7.0656 7.2526 8.5765 8.5836 10.0504 10.1855 10.2848 10.4473 11.3858 11.3937 12.0554 12.1227 12.6315 12.6471 k = 0.1597 0.2766-0.0000 ( 5371 PWs) bands (ev): -3.4671 -3.4617 -2.8285 -2.8260 -2.7525 -2.7477 0.3020 0.3152 0.3271 0.3682 0.5027 0.5632 0.6069 0.6339 0.6779 0.6848 0.7351 0.7801 1.6756 1.7199 1.8119 1.8986 2.0667 2.1556 2.2146 2.2226 2.2707 2.2740 2.3670 2.3992 2.4027 2.4340 2.4988 2.5169 2.5818 2.6338 3.6181 3.6491 4.1582 4.1882 4.5499 4.5617 5.7675 5.8671 6.3191 6.3829 6.7287 6.8837 6.9617 7.0326 7.1385 7.3190 8.5891 8.5993 10.0688 10.2161 10.3235 10.4845 11.3073 11.3163 12.0698 12.1401 12.6155 12.6372 k = 0.1528 0.2646-0.0000 ( 5371 PWs) bands (ev): -3.5027 -3.4976 -2.8356 -2.8334 -2.7633 -2.7586 0.3017 0.3128 0.3233 0.3646 0.4954 0.5595 0.6074 0.6318 0.6697 0.6747 0.7277 0.7697 1.6754 1.7178 1.8060 1.8929 2.0651 2.1527 2.2122 2.2226 2.2685 2.2704 2.3643 2.3936 2.4023 2.4298 2.4949 2.5113 2.5750 2.6249 3.6496 3.6835 4.1505 4.1810 4.6448 4.6537 5.7899 5.9021 6.3712 6.4383 6.7857 6.9520 7.0734 7.1444 7.2157 7.3848 8.5913 8.6198 10.0897 10.2490 10.3596 10.5181 11.2186 11.2296 12.0813 12.1487 12.6115 12.6441 k = 0.1458 0.2526-0.0000 ( 5369 PWs) bands (ev): -3.5377 -3.5328 -2.8428 -2.8407 -2.7743 -2.7698 0.3014 0.3103 0.3196 0.3609 0.4879 0.5551 0.6080 0.6292 0.6621 0.6661 0.7209 0.7597 1.6751 1.7154 1.8001 1.8868 2.0641 2.1501 2.2100 2.2220 2.2661 2.2678 2.3617 2.3877 2.4020 2.4261 2.4917 2.5062 2.5686 2.6164 3.6786 3.7148 4.1385 4.1694 4.7436 4.7500 5.8174 5.9405 6.4324 6.5016 6.8421 7.0147 7.1849 7.2572 7.2978 7.4501 8.5905 8.6377 10.1139 10.2852 10.3928 10.5467 11.1250 11.1380 12.0844 12.1437 12.6203 12.6679 k = 0.1389 0.2406-0.0000 ( 5377 PWs) bands (ev): -3.5718 -3.5673 -2.8499 -2.8480 -2.7855 -2.7812 0.3012 0.3079 0.3161 0.3573 0.4802 0.5501 0.6085 0.6259 0.6551 0.6592 0.7148 0.7501 1.6747 1.7127 1.7942 1.8804 2.0636 2.1475 2.2078 2.2205 2.2633 2.2662 2.3594 2.3816 2.4019 2.4229 2.4890 2.5017 2.5624 2.6083 3.7048 3.7425 4.1229 4.1541 4.8463 4.8504 5.8505 5.9833 6.5018 6.5721 6.8966 7.0712 7.2950 7.3700 7.3849 7.5149 8.5867 8.6527 10.1414 10.3254 10.4224 10.5667 11.0328 11.0457 12.0769 12.1256 12.6396 12.7037 k = 0.1319 0.2285-0.0000 ( 5373 PWs) bands (ev): -3.6050 -3.6008 -2.8570 -2.8552 -2.7968 -2.7927 0.3009 0.3055 0.3130 0.3538 0.4723 0.5444 0.6088 0.6221 0.6489 0.6539 0.7092 0.7410 1.6744 1.7099 1.7884 1.8736 2.0635 2.1449 2.2057 2.2183 2.2605 2.2656 2.3572 2.3756 2.4019 2.4201 2.4866 2.4976 2.5567 2.6008 3.7279 3.7664 4.1045 4.1359 4.9526 4.9545 5.8899 6.0310 6.5785 6.6491 6.9484 7.1220 7.4020 7.4767 7.4817 7.5795 8.5802 8.6647 10.1709 10.3703 10.4472 10.5709 10.9513 10.9580 12.0593 12.0973 12.6628 12.7416 k = 0.1250 0.2165-0.0000 ( 5377 PWs) bands (ev): -3.6372 -3.6333 -2.8639 -2.8623 -2.8081 -2.8043 0.3003 0.3031 0.3104 0.3503 0.4644 0.5379 0.6087 0.6180 0.6435 0.6501 0.7042 0.7325 1.6741 1.7070 1.7828 1.8666 2.0636 2.1423 2.2037 2.2154 2.2576 2.2657 2.3550 2.3698 2.4020 2.4177 2.4843 2.4939 2.5514 2.5936 3.7478 3.7862 4.0840 4.1156 5.0622 5.0625 5.9355 6.0839 6.6612 6.7316 6.9967 7.1676 7.5046 7.5726 7.5900 7.6452 8.5714 8.6737 10.1982 10.4187 10.4661 10.5479 10.8819 10.8949 12.0339 12.0621 12.6783 12.7653 k = 0.1181 0.2045-0.0000 ( 5381 PWs) bands (ev): -3.6683 -3.6646 -2.8708 -2.8694 -2.8194 -2.8157 0.2993 0.3007 0.3088 0.3470 0.4566 0.5308 0.6082 0.6138 0.6392 0.6473 0.6996 0.7246 1.6739 1.7039 1.7773 1.8595 2.0639 2.1397 2.2018 2.2121 2.2547 2.2662 2.3528 2.3642 2.4024 2.4158 2.4822 2.4905 2.5466 2.5870 3.7646 3.8021 4.0622 4.0939 5.1733 5.1757 5.9871 6.1420 6.7489 6.8184 7.0413 7.2088 7.6020 7.6715 7.6857 7.7205 8.5609 8.6799 10.2131 10.4509 10.4816 10.5097 10.8269 10.8729 12.0031 12.0227 12.6707 12.7526 k = 0.1111 0.1925-0.0000 ( 5379 PWs) bands (ev): -3.6980 -3.6946 -2.8775 -2.8762 -2.8304 -2.8270 0.2976 0.2985 0.3082 0.3438 0.4489 0.5231 0.6070 0.6099 0.6362 0.6453 0.6955 0.7174 1.6738 1.7008 1.7721 1.8523 2.0643 2.1369 2.1999 2.2084 2.2520 2.2669 2.3504 2.3590 2.4030 2.4142 2.4801 2.4873 2.5423 2.5809 3.7783 3.8143 4.0397 4.0713 5.2875 5.2920 6.0443 6.2049 6.8402 6.9082 7.0825 7.2465 7.6943 7.7566 7.7714 7.8165 8.5490 8.6836 10.1991 10.3798 10.5044 10.5513 10.7997 10.8785 11.9687 11.9809 12.6278 12.6948 k = 0.1042 0.1804-0.0000 ( 5375 PWs) bands (ev): -3.7265 -3.7233 -2.8840 -2.8829 -2.8412 -2.8381 0.2956 0.2964 0.3084 0.3408 0.4414 0.5151 0.6050 0.6062 0.6343 0.6439 0.6918 0.7108 1.6737 1.6978 1.7671 1.8451 2.0647 2.1340 2.1981 2.2047 2.2495 2.2675 2.3479 2.3540 2.4039 2.4131 2.4780 2.4843 2.5385 2.5752 3.7891 3.8229 4.0168 4.0485 5.4045 5.4112 6.1065 6.2722 6.9337 6.9987 7.1210 7.2815 7.7822 7.8189 7.8701 7.9162 8.5364 8.6853 10.1470 10.2728 10.5463 10.6179 10.7979 10.8997 11.9325 11.9380 12.5508 12.6053 k = 0.0972 0.1684-0.0000 ( 5371 PWs) bands (ev): -3.7534 -3.7505 -2.8903 -2.8894 -2.8517 -2.8488 0.2935 0.2944 0.3092 0.3380 0.4342 0.5068 0.6026 0.6028 0.6335 0.6428 0.6884 0.7049 1.6736 1.6948 1.7625 1.8379 2.0652 2.1309 2.1961 2.2010 2.2474 2.2680 2.3452 2.3494 2.4050 2.4124 2.4758 2.4814 2.5352 2.5700 3.7973 3.8282 3.9942 4.0259 5.5241 5.5331 6.1728 6.3431 7.0275 7.0848 7.1614 7.3151 7.8657 7.8787 7.9657 8.0121 8.5238 8.6854 10.0650 10.1555 10.6071 10.6916 10.8138 10.9291 11.8949 11.8957 12.4499 12.4984 k = 0.0903 0.1564-0.0000 ( 5367 PWs) bands (ev): -3.7789 -3.7762 -2.8963 -2.8956 -2.8618 -2.8592 0.2916 0.2925 0.3102 0.3354 0.4274 0.4984 0.5996 0.5997 0.6334 0.6421 0.6853 0.6995 1.6737 1.6919 1.7582 1.8307 2.0657 2.1277 2.1940 2.1974 2.2457 2.2681 2.3424 2.3452 2.4064 2.4122 2.4736 2.4787 2.5325 2.5653 3.8032 3.8308 3.9723 4.0040 5.6458 5.6573 6.2422 6.4168 7.1188 7.1491 7.2199 7.3490 7.9371 7.9447 8.0570 8.1023 8.5120 8.6848 9.9654 10.0335 10.6808 10.7703 10.8400 10.9629 11.8527 11.8596 12.3352 12.3835 k = 0.0833 0.1443-0.0000 ( 5371 PWs) bands (ev): -3.8027 -3.8003 -2.9021 -2.9016 -2.8714 -2.8690 0.2899 0.2909 0.3115 0.3330 0.4211 0.4900 0.5967 0.5968 0.6339 0.6416 0.6825 0.6947 1.6738 1.6891 1.7543 1.8235 2.0662 2.1243 2.1918 2.1939 2.2445 2.2679 2.3394 2.3411 2.4081 2.4125 2.4714 2.4760 2.5303 2.5610 3.8070 3.8309 3.9513 3.9831 5.7691 5.7834 6.3137 6.4925 7.1855 7.2032 7.3015 7.3867 7.9944 8.0190 8.1427 8.1852 8.5018 8.6843 9.8569 9.9100 10.7619 10.8514 10.8716 10.9992 11.8122 11.8253 12.2146 12.2674 k = 0.0764 0.1323-0.0000 ( 5379 PWs) bands (ev): -3.8249 -3.8227 -2.9076 -2.9073 -2.8804 -2.8783 0.2884 0.2894 0.3128 0.3308 0.4153 0.4817 0.5938 0.5939 0.6348 0.6413 0.6799 0.6904 1.6739 1.6865 1.7508 1.8165 2.0668 2.1208 2.1895 2.1906 2.2438 2.2674 2.3364 2.3374 2.4099 2.4132 2.4692 2.4733 2.5286 2.5571 3.8090 3.8290 3.9317 3.9635 5.8935 5.9109 6.3862 6.5690 7.2111 7.2741 7.3877 7.4336 8.0508 8.0881 8.2217 8.2590 8.4941 8.6847 9.7450 9.7873 10.8449 10.9059 10.9301 11.0381 11.7746 11.7934 12.0957 12.1567 k = 0.0694 0.1203-0.0000 ( 5379 PWs) bands (ev): -3.8454 -3.8434 -2.9128 -2.9127 -2.8887 -2.8870 0.2873 0.2882 0.3143 0.3289 0.4102 0.4735 0.5911 0.5913 0.6359 0.6413 0.6775 0.6866 1.6740 1.6841 1.7479 1.8096 2.0674 2.1172 2.1871 2.1874 2.2435 2.2666 2.3333 2.3339 2.4119 2.4142 2.4670 2.4707 2.5274 2.5536 3.8095 3.8254 3.9138 3.9453 6.0181 6.0391 6.4587 6.6454 7.2325 7.3261 7.4709 7.4931 8.1066 8.1514 8.2930 8.3219 8.4902 8.6872 9.6336 9.6677 10.9160 10.9480 10.9951 11.0850 11.7408 11.7628 11.9884 12.0591 k = 0.0625 0.1083-0.0000 ( 5375 PWs) bands (ev): -3.8640 -3.8622 -2.9178 -2.9177 -2.8963 -2.8949 0.2863 0.2871 0.3157 0.3271 0.4058 0.4656 0.5884 0.5888 0.6370 0.6414 0.6753 0.6832 1.6741 1.6819 1.7455 1.8028 2.0681 2.1135 2.1845 2.1847 2.2436 2.2656 2.3303 2.3306 2.4140 2.4156 2.4649 2.4682 2.5266 2.5504 3.8085 3.8205 3.8978 3.9289 6.1420 6.1672 6.5303 6.7207 7.2516 7.3623 7.5474 7.5604 8.1617 8.2078 8.3553 8.3717 8.4913 8.6929 9.5263 9.5537 10.9508 11.0114 11.0329 11.1439 11.7129 11.7278 11.9094 11.9840 k = 0.0556 0.0962-0.0000 ( 5379 PWs) bands (ev): -3.8808 -3.8792 -2.9225 -2.9223 -2.9032 -2.9021 0.2856 0.2863 0.3170 0.3256 0.4023 0.4578 0.5861 0.5866 0.6383 0.6417 0.6733 0.6802 1.6741 1.6799 1.7437 1.7962 2.0689 2.1098 2.1819 2.1824 2.2440 2.2644 2.3274 2.3275 2.4162 2.4172 2.4628 2.4658 2.5261 2.5476 3.8064 3.8148 3.8841 3.9141 6.2635 6.2935 6.6005 6.7943 7.2693 7.3889 7.6146 7.6264 8.2158 8.2562 8.4069 8.4073 8.4992 8.7020 9.4268 9.4485 10.9677 11.0469 11.0642 11.1969 11.6872 11.6955 11.8756 11.9402 k = 0.0486 0.0842-0.0000 ( 5381 PWs) bands (ev): -3.8957 -3.8944 -2.9269 -2.9266 -2.9092 -2.9084 0.2851 0.2856 0.3182 0.3243 0.3996 0.4504 0.5839 0.5845 0.6396 0.6420 0.6716 0.6775 1.6741 1.6781 1.7425 1.7898 2.0699 2.1060 2.1795 2.1802 2.2447 2.2631 2.3247 2.3247 2.4183 2.4189 2.4609 2.4635 2.5260 2.5450 3.8032 3.8087 3.8727 3.9011 6.3807 6.4158 6.6698 6.8658 7.2865 7.4101 7.6696 7.6838 8.2680 8.2956 8.4274 8.4465 8.5159 8.7135 9.3390 9.3556 10.9723 11.0439 11.0880 11.2170 11.6677 11.6988 11.8814 11.9310 k = 0.0417 0.0722-0.0000 ( 5373 PWs) bands (ev): -3.9087 -3.9076 -2.9309 -2.9305 -2.9143 -2.9138 0.2848 0.2852 0.3192 0.3232 0.3980 0.4432 0.5821 0.5826 0.6408 0.6425 0.6700 0.6751 1.6740 1.6766 1.7421 1.7836 2.0710 2.1023 2.1774 2.1781 2.2456 2.2617 2.3222 2.3222 2.4203 2.4207 2.4591 2.4614 2.5261 2.5426 3.7992 3.8024 3.8639 3.8898 6.4904 6.5294 6.7406 6.9355 7.3040 7.4280 7.7096 7.7272 8.3165 8.3262 8.4357 8.4703 8.5430 8.7248 9.2668 9.2787 10.9656 11.0279 11.0786 11.1907 11.6935 11.7301 11.9122 11.9520 k = 0.0347 0.0601-0.0000 ( 5377 PWs) bands (ev): -3.9198 -3.9188 -2.9345 -2.9339 -2.9186 -2.9183 0.2846 0.2848 0.3199 0.3223 0.3973 0.4364 0.5805 0.5810 0.6419 0.6430 0.6686 0.6730 1.6738 1.6754 1.7423 1.7777 2.0724 2.0987 2.1756 2.1763 2.2467 2.2603 2.3200 2.3200 2.4222 2.4224 2.4575 2.4594 2.5266 2.5404 3.7948 3.7965 3.8574 3.8800 6.5889 6.6270 6.8177 7.0045 7.3225 7.4437 7.7318 7.7519 8.3491 8.3573 8.4373 8.4805 8.5771 8.7330 9.2130 9.2205 10.9502 11.0031 11.0450 11.1335 11.7551 11.7857 11.9576 11.9941 k = 0.0278 0.0481-0.0000 ( 5373 PWs) bands (ev): -3.9288 -3.9280 -2.9375 -2.9370 -2.9221 -2.9219 0.2845 0.2846 0.3204 0.3216 0.3977 0.4299 0.5792 0.5796 0.6430 0.6436 0.6676 0.6711 1.6736 1.6744 1.7432 1.7721 2.0740 2.0951 2.1741 2.1747 2.2479 2.2589 2.3181 2.3181 2.4239 2.4240 2.4562 2.4577 2.5272 2.5384 3.7905 3.7912 3.8531 3.8717 6.6716 6.7016 6.9052 7.0730 7.3433 7.4580 7.7343 7.7548 8.3655 8.3821 8.4427 8.4827 8.6129 8.7369 9.1776 9.1813 10.9302 10.9739 11.0014 11.0670 11.8329 11.8551 12.0097 12.0468 k = 0.0208 0.0361-0.0000 ( 5377 PWs) bands (ev): -3.9358 -3.9353 -2.9399 -2.9394 -2.9248 -2.9247 0.2844 0.2845 0.3206 0.3211 0.3991 0.4238 0.5782 0.5785 0.6438 0.6441 0.6668 0.6695 1.6733 1.6737 1.7448 1.7668 2.0758 2.0917 2.1730 2.1734 2.2491 2.2575 2.3166 2.3167 2.4253 2.4254 2.4551 2.4562 2.5281 2.5365 3.7866 3.7869 3.8505 3.8649 6.7352 6.7535 6.9986 7.1381 7.3689 7.4719 7.7169 7.7351 8.3754 8.3866 8.4587 8.4826 8.6466 8.7367 9.1575 9.1584 10.9102 10.9449 10.9592 11.0045 11.9137 11.9282 12.0605 12.0985 k = 0.0139 0.0241-0.0000 ( 5377 PWs) bands (ev): -3.9409 -3.9405 -2.9416 -2.9413 -2.9266 -2.9266 0.2844 0.2845 0.3207 0.3208 0.4014 0.4182 0.5775 0.5777 0.6444 0.6445 0.6663 0.6682 1.6731 1.6732 1.7471 1.7619 2.0778 2.0885 2.1722 2.1725 2.2505 2.2560 2.3156 2.3156 2.4264 2.4264 2.4542 2.4550 2.5291 2.5347 3.7835 3.7836 3.8496 3.8593 6.7787 6.7874 7.0873 7.1899 7.4046 7.4868 7.6835 7.6959 8.3795 8.3834 8.4750 8.4840 8.6759 8.7334 9.1472 9.1477 10.8949 10.9203 10.9257 10.9529 11.9881 11.9958 12.1027 12.1374 k = 0.0069 0.0120-0.0000 ( 5373 PWs) bands (ev): -3.9438 -3.9436 -2.9426 -2.9425 -2.9277 -2.9277 0.2844 0.2844 0.3206 0.3207 0.4046 0.4130 0.5771 0.5772 0.6448 0.6448 0.6662 0.6672 1.6729 1.6729 1.7500 1.7575 2.0801 2.0855 2.1717 2.1719 2.2518 2.2546 2.3149 2.3149 2.4271 2.4271 2.4538 2.4542 2.5303 2.5331 3.7816 3.7816 3.8501 3.8550 6.8037 6.8068 7.1592 7.2141 7.4526 7.5011 7.6443 7.6483 8.3800 8.3805 8.4850 8.4869 8.6991 8.7269 9.1430 9.1437 10.8885 10.9035 10.9048 10.9159 12.0452 12.0471 12.1312 12.1539 k = 0.0000 0.0000 0.0000 ( 5349 PWs) bands (ev): -3.9448 -3.9448 -2.9429 -2.9429 -2.9281 -2.9281 0.2844 0.2844 0.3206 0.3206 0.4085 0.4085 0.5770 0.5770 0.6449 0.6449 0.6665 0.6665 1.6728 1.6728 1.7535 1.7535 2.0827 2.0827 2.1716 2.1716 2.2532 2.2532 2.3147 2.3147 2.4274 2.4274 2.4538 2.4538 2.5317 2.5317 3.7809 3.7809 3.8519 3.8519 6.8124 6.8124 7.2036 7.2036 7.4955 7.4955 7.6227 7.6227 8.3797 8.3797 8.4883 8.4883 8.7159 8.7159 9.1423 9.1423 10.8946 10.8946 10.8978 10.8978 12.0678 12.0678 12.1483 12.1483 k = 0.0000 0.0000 0.0000 ( 5349 PWs) bands (ev): -3.9448 -3.9448 -2.9429 -2.9429 -2.9281 -2.9281 0.2844 0.2844 0.3206 0.3206 0.4085 0.4085 0.5770 0.5770 0.6449 0.6449 0.6665 0.6665 1.6728 1.6728 1.7535 1.7535 2.0827 2.0827 2.1716 2.1716 2.2532 2.2532 2.3147 2.3147 2.4274 2.4274 2.4538 2.4538 2.5317 2.5317 3.7809 3.7809 3.8519 3.8519 6.8124 6.8124 7.2036 7.2036 7.4955 7.4955 7.6227 7.6227 8.3797 8.3797 8.4883 8.4883 8.7159 8.7159 9.1423 9.1423 10.8946 10.8946 10.8978 10.8978 12.0678 12.0678 12.1483 12.1483 k = 0.0000 0.0000 0.0137 ( 5379 PWs) bands (ev): -3.9438 -3.9434 -2.9937 -2.9791 -2.8925 -2.8775 0.2742 0.2943 0.3149 0.3257 0.4074 0.4092 0.5750 0.5793 0.6412 0.6486 0.6636 0.6694 1.6493 1.6956 1.7181 1.7882 2.0750 2.0900 2.1697 2.1739 2.2511 2.2553 2.3106 2.3176 2.4238 2.4317 2.4523 2.4553 2.5277 2.5354 3.7083 3.7818 3.8589 3.9267 6.8051 6.8084 7.1963 7.2109 7.4672 7.5124 7.6038 7.6405 8.3544 8.4060 8.4720 8.5126 8.7154 8.7172 9.1471 9.1495 10.8860 10.8898 10.8951 10.9052 12.0344 12.1039 12.1063 12.1935 k = 0.0000 0.0000 0.0273 ( 5373 PWs) bands (ev): -3.9407 -3.9398 -3.0445 -3.0302 -2.8427 -2.8276 0.2636 0.3037 0.3084 0.3302 0.4060 0.4097 0.5733 0.5818 0.6374 0.6523 0.6606 0.6723 1.6253 1.6825 1.7177 1.8220 2.0671 2.0970 2.1682 2.1764 2.2489 2.2572 2.3054 2.3194 2.4212 2.4368 2.4507 2.4568 2.5235 2.5388 3.6413 3.7164 3.9421 4.0062 6.7861 6.7928 7.1891 7.2181 7.4299 7.5179 7.5843 7.6568 8.3308 8.4329 8.4645 8.5421 8.7162 8.7186 9.1641 9.1689 10.8703 10.8814 10.8910 10.9077 12.0041 12.0678 12.1422 12.2417 k = 0.0000 0.0000 0.0410 ( 5361 PWs) bands (ev): -3.9352 -3.9339 -3.0951 -3.0813 -2.7938 -2.7787 0.2528 0.3010 0.3127 0.3342 0.4043 0.4097 0.5719 0.5844 0.6337 0.6559 0.6576 0.6750 1.6010 1.6470 1.7389 1.8544 2.0589 2.1036 2.1670 2.1792 2.2466 2.2591 2.2994 2.3201 2.4195 2.4426 2.4492 2.4582 2.5193 2.5419 3.5799 3.6558 4.0303 4.0903 6.7548 6.7649 7.1820 7.2251 7.3873 7.5146 7.5644 7.6713 8.3093 8.4599 8.4643 8.5726 8.7190 8.7196 9.1937 9.2006 10.8515 10.8699 10.8817 10.9049 11.9767 12.0328 12.1818 12.2921 k = 0.0000 0.0000 0.0546 ( 5367 PWs) bands (ev): -3.9275 -3.9257 -3.1454 -3.1320 -2.7461 -2.7311 0.2419 0.2928 0.3211 0.3378 0.4023 0.4095 0.5710 0.5871 0.6299 0.6546 0.6594 0.6777 1.5766 1.6121 1.7592 1.8855 2.0506 2.1097 2.1663 2.1822 2.2441 2.2609 2.2925 2.3197 2.4186 2.4477 2.4489 2.4596 2.5150 2.5446 3.5242 3.5997 4.1232 4.1788 6.7105 6.7236 7.1751 7.2320 7.3440 7.5062 7.5443 7.6833 8.2907 8.4685 8.4867 8.6002 8.7200 8.7239 9.2361 9.2446 10.8300 10.8559 10.8670 10.8967 11.9524 12.0012 12.2215 12.3443 k = 0.0000 0.0000 0.0683 ( 5367 PWs) bands (ev): -3.9175 -3.9153 -3.1951 -3.1822 -2.7000 -2.6853 0.2310 0.2837 0.3291 0.3411 0.4002 0.4090 0.5704 0.5899 0.6262 0.6516 0.6629 0.6801 1.5523 1.5782 1.7786 1.9148 2.0422 2.1153 2.1660 2.1853 2.2416 2.2628 2.2850 2.3184 2.4184 2.4462 2.4556 2.4610 2.5107 2.5469 3.4742 3.5482 4.2206 4.2716 6.6531 6.6683 7.1684 7.2388 7.3036 7.4967 7.5243 7.6923 8.2755 8.4741 8.5130 8.6226 8.7197 8.7307 9.2910 9.3000 10.8061 10.8401 10.8466 10.8829 11.9309 11.9730 12.2593 12.3971 k = 0.0000 0.0000 0.0819 ( 5373 PWs) bands (ev): -3.9053 -3.9027 -3.2441 -3.2316 -2.6558 -2.6415 0.2203 0.2737 0.3366 0.3441 0.3978 0.4081 0.5703 0.5928 0.6225 0.6486 0.6662 0.6825 1.5284 1.5459 1.7971 1.9424 2.0336 2.1202 2.1662 2.1884 2.2390 2.2645 2.2770 2.3163 2.4187 2.4447 2.4623 2.4626 2.5064 2.5486 3.4297 3.5012 4.3221 4.3685 6.5829 6.5990 7.1622 7.2455 7.2685 7.4890 7.5045 7.6980 8.2642 8.4786 8.5383 8.6395 8.7190 8.7382 9.3572 9.3656 10.7800 10.8202 10.8231 10.8642 11.9121 11.9480 12.2934 12.4495 k = 0.0000 0.0000 0.0956 ( 5361 PWs) bands (ev): -3.8909 -3.8878 -3.2922 -3.2803 -2.6140 -2.6002 0.2100 0.2629 0.3436 0.3470 0.3953 0.4070 0.5705 0.5956 0.6188 0.6457 0.6695 0.6846 1.5052 1.5156 1.8147 1.9682 2.0249 2.1245 2.1668 2.1915 2.2363 2.2663 2.2686 2.3138 2.4194 2.4432 2.4636 2.4699 2.5022 2.5498 3.3908 3.4586 4.4274 4.4693 6.5011 6.5171 7.1564 7.2394 7.2523 7.4847 7.4850 7.6999 8.2574 8.4804 8.5625 8.6522 8.7180 8.7449 9.4328 9.4398 10.7513 10.7877 10.8055 10.8413 11.8957 11.9260 12.3217 12.5004 k = 0.0000 0.0000 0.1092 ( 5350 PWs) bands (ev): -3.8743 -3.8707 -3.3393 -3.3279 -2.5748 -2.5619 0.2003 0.2515 0.3497 0.3501 0.3927 0.4057 0.5712 0.5985 0.6151 0.6428 0.6726 0.6864 1.4831 1.4876 1.8314 1.9921 2.0161 2.1280 2.1680 2.1945 2.2335 2.2600 2.2682 2.3109 2.4205 2.4418 2.4648 2.4772 2.4982 2.5504 3.3571 3.4202 4.5362 4.5737 6.4092 6.4244 7.1512 7.2162 7.2594 7.4660 7.4844 7.6979 8.2552 8.4787 8.5853 8.6623 8.7171 8.7498 9.5155 9.5206 10.7188 10.7492 10.7878 10.8161 11.8817 11.9069 12.3434 12.4973 k = 0.0000 0.0000 0.1229 ( 5350 PWs) bands (ev): -3.8555 -3.8515 -3.3852 -3.3743 -2.5388 -2.5269 0.1915 0.2398 0.3523 0.3562 0.3900 0.4042 0.5723 0.6013 0.6115 0.6399 0.6756 0.6880 1.4623 1.4624 1.8473 2.0071 2.0140 2.1307 2.1697 2.1973 2.2307 2.2514 2.2700 2.3077 2.4217 2.4404 2.4660 2.4847 2.4945 2.5503 3.3286 3.3860 4.6480 4.6814 6.3090 6.3230 7.1468 7.1978 7.2668 7.4475 7.4881 7.6921 8.2575 8.4731 8.6065 8.6710 8.7165 8.7525 9.6034 9.6064 10.6812 10.7045 10.7707 10.7907 11.8696 11.8904 12.3586 12.4796 k = 0.0000 0.0000 0.1366 ( 5350 PWs) bands (ev): -3.8345 -3.8301 -3.4299 -3.4195 -2.5064 -2.4956 0.1838 0.2279 0.3549 0.3618 0.3872 0.4025 0.5738 0.6041 0.6079 0.6371 0.6783 0.6893 1.4403 1.4432 1.8623 1.9980 2.0341 2.1324 2.1720 2.1999 2.2279 2.2428 2.2720 2.3044 2.4230 2.4390 2.4672 2.4909 2.4920 2.5496 3.3051 3.3559 4.7627 4.7921 6.2021 6.2149 7.1431 7.1833 7.2748 7.4296 7.4953 7.6828 8.2640 8.4639 8.6259 8.6789 8.7159 8.7529 9.6944 9.6955 10.6368 10.6539 10.7547 10.7672 11.8596 11.8764 12.3687 12.4637 k = 0.0000 0.0000 0.1502 ( 5338 PWs) bands (ev): -3.8114 -3.8065 -3.4731 -3.4632 -2.4779 -2.4685 0.1775 0.2163 0.3574 0.3670 0.3844 0.4005 0.5755 0.6044 0.6069 0.6343 0.6809 0.6903 1.4215 1.4262 1.8766 1.9887 2.0523 2.1331 2.1748 2.2023 2.2251 2.2344 2.2740 2.3011 2.4244 2.4377 2.4684 2.4876 2.4993 2.5482 3.2863 3.3298 4.8797 4.9056 6.0899 6.1018 7.1404 7.1718 7.2834 7.4125 7.5056 7.6705 8.2744 8.4515 8.6433 8.6867 8.7153 8.7514 9.7865 9.7870 10.5850 10.5973 10.7402 10.7471 11.8513 11.8646 12.3756 12.4495 k = 0.0000 0.0000 0.1639 ( 5350 PWs) bands (ev): -3.7862 -3.7809 -3.5149 -3.5055 -2.4538 -2.4460 0.1728 0.2053 0.3599 0.3718 0.3815 0.3984 0.5776 0.6009 0.6097 0.6315 0.6833 0.6909 1.4063 1.4116 1.8901 1.9792 2.0685 2.1325 2.1782 2.2045 2.2224 2.2262 2.2761 2.2978 2.4257 2.4364 2.4696 2.4847 2.5063 2.5460 3.2721 3.3076 4.9988 5.0215 5.9738 5.9850 7.1386 7.1626 7.2927 7.3960 7.5183 7.6558 8.2879 8.4364 8.6588 8.6944 8.7143 8.7483 9.8781 9.8800 10.5260 10.5351 10.7276 10.7309 11.8449 11.8550 12.3807 12.4369 k = 0.0000 0.0000 0.1775 ( 5356 PWs) bands (ev): -3.7590 -3.7531 -3.5551 -3.5462 -2.4343 -2.4284 0.1700 0.1952 0.3625 0.3762 0.3787 0.3960 0.5799 0.5976 0.6124 0.6287 0.6853 0.6912 1.3946 1.3995 1.9030 1.9695 2.0829 2.1305 2.1823 2.2066 2.2184 2.2197 2.2783 2.2947 2.4271 2.4350 2.4709 2.4820 2.5130 2.5432 3.2623 3.2894 5.1196 5.1394 5.8546 5.8658 7.1378 7.1553 7.3028 7.3803 7.5330 7.6394 8.3039 8.4193 8.6722 8.7021 8.7126 8.7437 9.9693 9.9723 10.4604 10.4675 10.7173 10.7185 11.8401 11.8474 12.3851 12.4258 k = 0.0000 0.0000 0.1912 ( 5356 PWs) bands (ev): -3.7298 -3.7234 -3.5936 -3.5853 -2.4199 -2.4159 0.1692 0.1864 0.3651 0.3759 0.3803 0.3934 0.5824 0.5943 0.6151 0.6260 0.6872 0.6911 1.3866 1.3903 1.9153 1.9594 2.0954 2.1270 2.1869 2.2086 2.2111 2.2172 2.2807 2.2916 2.4285 2.4337 2.4723 2.4795 2.5194 2.5397 3.2567 3.2750 5.2416 5.2589 5.7334 5.7449 7.1381 7.1494 7.3137 7.3653 7.5493 7.6217 8.3218 8.4006 8.6835 8.7097 8.7099 8.7381 10.0591 10.0629 10.3889 10.3949 10.7096 10.7098 11.8370 11.8417 12.3896 12.4162 k = 0.0000 0.0000 0.2048 ( 5374 PWs) bands (ev): -3.6986 -3.6917 -3.6304 -3.6226 -2.4108 -2.4087 0.1705 0.1792 0.3677 0.3732 0.3840 0.3906 0.5852 0.5911 0.6179 0.6233 0.6887 0.6907 1.3823 1.3843 1.9270 1.9490 2.1060 2.1218 2.1921 2.2042 2.2106 2.2149 2.2832 2.2886 2.4298 2.4324 2.4738 2.4774 2.5253 2.5355 3.2553 3.2645 5.3645 5.3797 5.6109 5.6232 7.1393 7.1449 7.3254 7.3512 7.5667 7.6034 8.3410 8.3809 8.6928 8.7058 8.7173 8.7317 10.1468 10.1511 10.3124 10.3177 10.7048 10.7048 11.8356 11.8379 12.3948 12.4079 k = 0.0000 0.0000 0.2185 ( 5392 PWs) bands (ev): -3.6654 -3.6654 -3.6581 -3.6581 -2.4070 -2.4070 0.1738 0.1738 0.3704 0.3704 0.3874 0.3874 0.5881 0.5881 0.6206 0.6206 0.6898 0.6898 1.3816 1.3816 1.9383 1.9383 2.1148 2.1148 2.1979 2.1979 2.2127 2.2127 2.2858 2.2858 2.4311 2.4311 2.4755 2.4755 2.5307 2.5307 3.2579 3.2579 5.4878 5.4878 5.5013 5.5013 7.1416 7.1416 7.3379 7.3379 7.5849 7.5849 8.3609 8.3609 8.7002 8.7002 8.7247 8.7247 10.2314 10.2314 10.2362 10.2362 10.7031 10.7031 11.8359 11.8359 12.4008 12.4008 k = 0.0000 0.0000 0.2185 ( 5392 PWs) bands (ev): -3.6654 -3.6654 -3.6581 -3.6581 -2.4070 -2.4070 0.1738 0.1738 0.3704 0.3704 0.3874 0.3874 0.5881 0.5881 0.6206 0.6206 0.6898 0.6898 1.3816 1.3816 1.9383 1.9383 2.1148 2.1148 2.1979 2.1979 2.2127 2.2127 2.2858 2.2858 2.4311 2.4311 2.4755 2.4755 2.5307 2.5307 3.2579 3.2579 5.4878 5.4878 5.5013 5.5013 7.1416 7.1416 7.3379 7.3379 7.5849 7.5849 8.3609 8.3609 8.7002 8.7002 8.7247 8.7247 10.2314 10.2314 10.2362 10.2362 10.7031 10.7031 11.8359 11.8359 12.4008 12.4008 k = 0.0119 0.0069 0.2185 ( 5368 PWs) bands (ev): -3.6646 -3.6646 -3.6572 -3.6572 -2.4076 -2.4069 0.1728 0.1753 0.3707 0.3707 0.3858 0.3897 0.5876 0.5885 0.6207 0.6207 0.6875 0.6923 1.3795 1.3854 1.9334 1.9429 2.1148 2.1149 2.1940 2.2014 2.2130 2.2132 2.2834 2.2882 2.4302 2.4319 2.4754 2.4754 2.5305 2.5315 3.2578 3.2587 5.4779 5.4910 5.4991 5.5008 7.1376 7.1380 7.3173 7.3555 7.5747 7.5895 8.3488 8.3590 8.6811 8.7027 8.7204 8.7261 10.2304 10.2385 10.2423 10.2463 10.7100 10.7171 11.8110 11.8251 12.4016 12.4257 k = 0.0238 0.0137 0.2185 ( 5368 PWs) bands (ev): -3.6620 -3.6620 -3.6546 -3.6546 -2.4087 -2.4073 0.1722 0.1772 0.3715 0.3717 0.3846 0.3926 0.5871 0.5890 0.6209 0.6210 0.6854 0.6948 1.3792 1.3909 1.9283 1.9473 2.1149 2.1151 2.1904 2.2040 2.2138 2.2153 2.2810 2.2905 2.4291 2.4326 2.4749 2.4752 2.5309 2.5327 3.2583 3.2600 5.4636 5.4830 5.4921 5.5022 7.1250 7.1280 7.2947 7.3693 7.5584 7.5891 8.3227 8.3436 8.6529 8.6809 8.7064 8.7330 10.2406 10.2527 10.2586 10.2713 10.7373 10.7505 11.7593 11.7809 12.4270 12.4664 k = 0.0357 0.0206 0.2185 ( 5368 PWs) bands (ev): -3.6577 -3.6577 -3.6503 -3.6502 -2.4103 -2.4082 0.1721 0.1794 0.3727 0.3733 0.3839 0.3963 0.5866 0.5896 0.6214 0.6215 0.6833 0.6976 1.3806 1.3981 1.9230 1.9514 2.1149 2.1155 2.1870 2.2053 2.2150 2.2194 2.2785 2.2927 2.4278 2.4331 2.4740 2.4749 2.5320 2.5344 3.2594 3.2620 5.4441 5.4667 5.4808 5.5022 7.1032 7.1128 7.2709 7.3786 7.5360 7.5850 8.2828 8.3151 8.6152 8.6453 8.6860 8.7371 10.2606 10.2761 10.2840 10.3073 10.7827 10.8003 11.6933 11.7148 12.4672 12.5103 k = 0.0476 0.0275 0.2185 ( 5368 PWs) bands (ev): -3.6518 -3.6517 -3.6443 -3.6440 -2.4124 -2.4097 0.1725 0.1820 0.3741 0.3755 0.3836 0.4009 0.5861 0.5902 0.6220 0.6222 0.6814 0.7005 1.3837 1.4069 1.9177 1.9552 2.1148 2.1161 2.1841 2.2057 2.2166 2.2248 2.2760 2.2949 2.4264 2.4335 2.4728 2.4747 2.5337 2.5363 3.2611 3.2646 5.4187 5.4427 5.4663 5.4994 7.0725 7.0936 7.2466 7.3827 7.5081 7.5784 8.2293 8.2739 8.5687 8.6011 8.6621 8.7360 10.2877 10.3060 10.3190 10.3525 10.8415 10.8625 11.6231 11.6390 12.5123 12.5494 k = 0.0595 0.0344 0.2185 ( 5368 PWs) bands (ev): -3.6443 -3.6440 -3.6365 -3.6361 -2.4149 -2.4116 0.1733 0.1848 0.3757 0.3784 0.3837 0.4066 0.5856 0.5909 0.6228 0.6231 0.6797 0.7036 1.3884 1.4173 1.9123 1.9586 2.1145 2.1170 2.1817 2.2059 2.2185 2.2310 2.2735 2.2970 2.4249 2.4338 2.4712 2.4747 2.5361 2.5386 3.2635 3.2679 5.3861 5.4109 5.4496 5.4933 7.0339 7.0714 7.2217 7.3809 7.4759 7.5704 8.1629 8.2204 8.5166 8.5520 8.6359 8.7296 10.3186 10.3384 10.3643 10.4050 10.9064 10.9321 11.5556 11.5657 12.5557 12.5796 k = 0.0714 0.0412 0.2185 ( 5362 PWs) bands (ev): -3.6353 -3.6347 -3.6270 -3.6264 -2.4179 -2.4139 0.1746 0.1877 0.3773 0.3818 0.3844 0.4133 0.5851 0.5919 0.6236 0.6242 0.6780 0.7069 1.3948 1.4291 1.9069 1.9616 2.1140 2.1182 2.1797 2.2062 2.2209 2.2377 2.2711 2.2990 2.4231 2.4340 2.4693 2.4750 2.5391 2.5411 3.2666 3.2719 5.3459 5.3707 5.4310 5.4838 6.9886 7.0468 7.1962 7.3712 7.4424 7.5618 8.0852 8.1552 8.4622 8.5010 8.6079 8.7182 10.3498 10.3703 10.4178 10.4622 10.9651 11.0018 11.4930 11.5150 12.5913 12.5997 k = 0.0833 0.0481 0.2185 ( 5364 PWs) bands (ev): -3.6248 -3.6240 -3.6158 -3.6148 -2.4213 -2.4167 0.1762 0.1908 0.3789 0.3846 0.3866 0.4210 0.5845 0.5931 0.6246 0.6255 0.6765 0.7105 1.4028 1.4423 1.9015 1.9641 2.1132 2.1197 2.1782 2.2066 2.2239 2.2449 2.2687 2.3010 2.4213 2.4343 2.4672 2.4755 2.5425 2.5439 3.2704 3.2766 5.2975 5.3222 5.4107 5.4708 6.9381 7.0201 7.1696 7.3491 7.4134 7.5532 7.9980 8.0799 8.4080 8.4496 8.5781 8.7025 10.3772 10.3991 10.4772 10.5215 11.0017 11.0558 11.4557 11.4987 12.5992 12.6235 k = 0.0952 0.0550 0.2185 ( 5360 PWs) bands (ev): -3.6128 -3.6117 -3.6028 -3.6015 -2.4252 -2.4200 0.1782 0.1938 0.3804 0.3863 0.3909 0.4297 0.5840 0.5948 0.6257 0.6271 0.6752 0.7144 1.4121 1.4568 1.8963 1.9663 2.1120 2.1213 2.1772 2.2072 2.2274 2.2524 2.2664 2.3029 2.4193 2.4346 2.4649 2.4764 2.5459 2.5475 3.2750 3.2821 5.2410 5.2655 5.3886 5.4541 6.8836 6.9911 7.1416 7.3134 7.3924 7.5449 7.9041 7.9972 8.3551 8.3983 8.5468 8.6834 10.3958 10.4222 10.5403 10.5803 11.0043 11.0704 11.4699 11.5258 12.5870 12.6384 k = 0.1071 0.0619 0.2185 ( 5360 PWs) bands (ev): -3.5994 -3.5981 -3.5881 -3.5865 -2.4294 -2.4236 0.1805 0.1969 0.3820 0.3881 0.3959 0.4391 0.5835 0.5970 0.6268 0.6289 0.6740 0.7186 1.4229 1.4723 1.8913 1.9680 2.1105 2.1232 2.1767 2.2082 2.2316 2.2601 2.2643 2.3049 2.4173 2.4349 2.4625 2.4776 2.5491 2.5519 3.2805 3.2886 5.1766 5.2007 5.3644 5.4337 6.8258 6.9585 7.1115 7.2706 7.3752 7.5370 7.8063 7.9106 8.3033 8.3474 8.5146 8.6615 10.4016 10.4364 10.6050 10.6359 10.9764 11.0422 11.5384 11.5921 12.5611 12.6360 k = 0.1190 0.0687 0.2185 ( 5360 PWs) bands (ev): -3.5847 -3.5831 -3.5717 -3.5698 -2.4340 -2.4277 0.1830 0.2000 0.3837 0.3902 0.4012 0.4491 0.5830 0.5998 0.6280 0.6309 0.6731 0.7232 1.4348 1.4887 1.8865 1.9692 2.1087 2.1251 2.1766 2.2096 2.2366 2.2623 2.2681 2.3068 2.4151 2.4354 2.4601 2.4791 2.5524 2.5571 3.2870 3.2959 5.1046 5.1285 5.3379 5.4093 6.7653 6.9202 7.0779 7.2279 7.3576 7.5294 7.7083 7.8236 8.2523 8.2967 8.4816 8.6375 10.3923 10.4376 10.6685 10.6860 10.9324 10.9914 11.6397 11.6842 12.5254 12.6135 k = 0.1310 0.0756 0.2185 ( 5370 PWs) bands (ev): -3.5688 -3.5669 -3.5537 -3.5514 -2.4389 -2.4320 0.1857 0.2030 0.3855 0.3926 0.4068 0.4594 0.5825 0.6035 0.6291 0.6332 0.6724 0.7283 1.4478 1.5057 1.8820 1.9701 2.1065 2.1269 2.1769 2.2116 2.2422 2.2609 2.2761 2.3089 2.4130 2.4360 2.4578 2.4810 2.5558 2.5629 3.2944 3.3043 5.0257 5.0496 5.3087 5.3807 6.7025 6.8733 7.0399 7.1905 7.3361 7.5202 7.6164 7.7397 8.2016 8.2461 8.4481 8.6118 10.3677 10.4228 10.7106 10.7390 10.8905 10.9329 11.7567 11.7910 12.4831 12.5729 k = 0.1429 0.0825 0.2185 ( 5362 PWs) bands (ev): -3.5516 -3.5494 -3.5340 -3.5315 -2.4441 -2.4368 0.1886 0.2059 0.3876 0.3952 0.4126 0.4697 0.5821 0.6081 0.6303 0.6357 0.6721 0.7339 1.4618 1.5231 1.8781 1.9705 2.1041 2.1287 2.1777 2.2141 2.2483 2.2601 2.2840 2.3112 2.4107 2.4368 2.4555 2.4831 2.5594 2.5692 3.3028 3.3139 4.9408 4.9648 5.2766 5.3477 6.6378 6.8152 6.9978 7.1608 7.3050 7.4928 7.5533 7.6625 8.1510 8.1954 8.4143 8.5847 10.3290 10.3914 10.7009 10.7985 10.8605 10.8922 11.8804 11.9056 12.4359 12.5205 k = 0.1548 0.0894 0.2185 ( 5374 PWs) bands (ev): -3.5332 -3.5308 -3.5128 -3.5099 -2.4496 -2.4418 0.1916 0.2086 0.3898 0.3980 0.4186 0.4796 0.5817 0.6139 0.6314 0.6384 0.6723 0.7400 1.4766 1.5406 1.8747 1.9705 2.1015 2.1301 2.1788 2.2173 2.2531 2.2619 2.2916 2.3139 2.4085 2.4378 2.4534 2.4855 2.5634 2.5763 3.3124 3.3246 4.8508 4.8752 5.2411 5.3099 6.5711 6.7446 6.9540 7.1379 7.2566 7.4356 7.5366 7.5974 8.1002 8.1447 8.3802 8.5563 10.2785 10.3446 10.6471 10.7872 10.8680 10.9158 12.0048 12.0224 12.3848 12.4628 k = 0.1667 0.0962 0.2185 ( 5374 PWs) bands (ev): -3.5138 -3.5112 -3.4902 -3.4870 -2.4554 -2.4471 0.1946 0.2113 0.3923 0.4009 0.4247 0.4888 0.5813 0.6207 0.6326 0.6412 0.6732 0.7468 1.4919 1.5578 1.8720 1.9701 2.0987 2.1313 2.1804 2.2212 2.2544 2.2682 2.2985 2.3174 2.4064 2.4392 2.4515 2.4882 2.5677 2.5841 3.3233 3.3366 4.7567 4.7817 5.2019 5.2672 6.5028 6.6625 6.9102 7.1183 7.1886 7.3840 7.5178 7.5628 8.0492 8.0939 8.3458 8.5263 10.2186 10.2847 10.5742 10.7160 10.9248 10.9576 12.1209 12.1371 12.3319 12.4079 k = 0.1786 0.1031 0.2185 ( 5374 PWs) bands (ev): -3.4934 -3.4906 -3.4661 -3.4626 -2.4613 -2.4526 0.1977 0.2138 0.3951 0.4041 0.4308 0.4971 0.5810 0.6280 0.6342 0.6443 0.6751 0.7544 1.5077 1.5744 1.8701 1.9692 2.0960 2.1321 2.1823 2.2257 2.2544 2.2768 2.3042 2.3221 2.4044 2.4408 2.4497 2.4910 2.5726 2.5927 3.3354 3.3501 4.6596 4.6855 5.1586 5.2192 6.4327 6.5716 6.8674 7.0901 7.1184 7.3373 7.4863 7.5635 7.9982 8.0433 8.3112 8.4947 10.1513 10.2143 10.4946 10.6399 10.9797 11.0040 12.1932 12.2487 12.2833 12.3822 k = 0.1905 0.1100 0.2185 ( 5372 PWs) bands (ev): -3.4720 -3.4691 -3.4407 -3.4369 -2.4675 -2.4583 0.2009 0.2162 0.3980 0.4074 0.4369 0.5043 0.5807 0.6327 0.6384 0.6475 0.6787 0.7626 1.5236 1.5900 1.8693 1.9678 2.0933 2.1325 2.1845 2.2310 2.2544 2.2862 2.3084 2.3284 2.4025 2.4429 2.4482 2.4940 2.5781 2.6021 3.3488 3.3650 4.5604 4.5876 5.1109 5.1658 6.3609 6.4746 6.8256 7.0163 7.0898 7.2888 7.4655 7.5739 7.9470 7.9929 8.2763 8.4609 10.0785 10.1358 10.4136 10.5627 11.0305 11.0514 12.1760 12.2308 12.3551 12.4373 k = 0.2024 0.1168 0.2185 ( 5370 PWs) bands (ev): -3.4499 -3.4468 -3.4141 -3.4100 -2.4738 -2.4643 0.2040 0.2184 0.4011 0.4108 0.4431 0.5104 0.5805 0.6343 0.6448 0.6511 0.6850 0.7717 1.5396 1.6042 1.8697 1.9659 2.0910 2.1327 2.1870 2.2368 2.2546 2.2955 2.3117 2.3360 2.4011 2.4453 2.4470 2.4970 2.5844 2.6126 3.3637 3.3815 4.4602 4.4889 5.0585 5.1069 6.2873 6.3741 6.7850 6.9348 7.0688 7.2382 7.4569 7.5874 7.8961 7.9430 8.2411 8.4246 10.0015 10.0515 10.3341 10.4867 11.0766 11.0984 12.1220 12.1711 12.4448 12.5315 k = 0.2143 0.1237 0.2185 ( 5378 PWs) bands (ev): -3.4270 -3.4238 -3.3864 -3.3820 -2.4803 -2.4704 0.2072 0.2205 0.4045 0.4142 0.4494 0.5155 0.5804 0.6353 0.6497 0.6550 0.6945 0.7814 1.5554 1.6166 1.8714 1.9633 2.0890 2.1326 2.1898 2.2429 2.2555 2.3042 2.3144 2.3443 2.4001 2.4456 2.4487 2.5001 2.5917 2.6240 3.3799 3.3996 4.3599 4.3906 5.0014 5.0427 6.2118 6.2723 6.7457 6.8571 7.0459 7.1871 7.4565 7.6012 7.8456 7.8942 8.2057 8.3852 9.9217 9.9641 10.2582 10.4138 11.1181 11.1433 12.0616 12.1083 12.5166 12.6284 k = 0.2262 0.1306 0.2185 ( 5378 PWs) bands (ev): -3.4035 -3.4001 -3.3576 -3.3530 -2.4869 -2.4766 0.2103 0.2224 0.4080 0.4176 0.4558 0.5196 0.5804 0.6363 0.6531 0.6589 0.7070 0.7919 1.5708 1.6269 1.8745 1.9601 2.0875 2.1325 2.1928 2.2481 2.2579 2.3106 2.3180 2.3531 2.3998 2.4448 2.4524 2.5031 2.6002 2.6366 3.3974 3.4192 4.2606 4.2937 4.9393 4.9735 6.1339 6.1713 6.7078 6.7855 7.0203 7.1369 7.4610 7.6124 7.7961 7.8471 8.1704 8.3422 9.8403 9.8770 10.1867 10.3452 11.1554 11.1851 12.0007 12.0459 12.5693 12.7182 k = 0.2381 0.1375 0.2185 ( 5374 PWs) bands (ev): -3.3795 -3.3760 -3.3280 -3.3230 -2.4936 -2.4830 0.2134 0.2242 0.4116 0.4210 0.4624 0.5230 0.5806 0.6374 0.6558 0.6624 0.7217 0.8030 1.5856 1.6349 1.8790 1.9561 2.0867 2.1322 2.1960 2.2510 2.2633 2.3133 2.3238 2.3617 2.4005 2.4442 2.4569 2.5060 2.6101 2.6504 3.4159 3.4402 4.1633 4.1992 4.8726 4.8997 6.0521 6.0740 6.6713 6.7207 6.9921 7.0884 7.4674 7.6167 7.7494 7.8032 8.1357 8.2951 9.7581 9.7943 10.1203 10.2815 11.1882 11.2226 11.9413 11.9855 12.6037 12.7966 k = 0.2500 0.1443 0.2185 ( 5366 PWs) bands (ev): -3.3551 -3.3515 -3.2976 -3.2923 -2.5004 -2.4895 0.2164 0.2259 0.4153 0.4243 0.4691 0.5258 0.5810 0.6388 0.6581 0.6656 0.7377 0.8146 1.5998 1.6404 1.8848 1.9513 2.0867 2.1320 2.1994 2.2523 2.2706 2.3140 2.3301 2.3694 2.4024 2.4437 2.4621 2.5088 2.6217 2.6653 3.4350 3.4621 4.0691 4.1084 4.8015 4.8220 5.9624 5.9857 6.6358 6.6634 6.9617 7.0416 7.4721 7.6070 7.7087 7.7655 8.1023 8.2437 9.6766 9.7196 10.0588 10.2228 11.2162 11.2554 11.8849 11.9284 12.6219 12.8597 k = 0.2619 0.1512 0.2185 ( 5366 PWs) bands (ev): -3.3305 -3.3268 -3.2666 -3.2609 -2.5072 -2.4960 0.2194 0.2275 0.4190 0.4273 0.4761 0.5280 0.5816 0.6406 0.6601 0.6688 0.7543 0.8267 1.6130 1.6437 1.8917 1.9459 2.0875 2.1320 2.2027 2.2531 2.2786 2.3135 2.3361 2.3756 2.4058 2.4435 2.4681 2.5113 2.6351 2.6814 3.4536 3.4841 3.9798 4.0229 4.7265 4.7413 5.8689 5.9033 6.5992 6.6154 6.9296 6.9969 7.4708 7.5771 7.6770 7.7372 8.0715 8.1882 9.5985 9.6546 10.0020 10.1691 11.2390 11.2824 11.8327 11.8758 12.6269 12.9020 k = 0.2738 0.1581 0.2185 ( 5374 PWs) bands (ev): -3.3057 -3.3019 -3.2351 -3.2291 -2.5141 -2.5027 0.2223 0.2289 0.4226 0.4302 0.4831 0.5298 0.5827 0.6430 0.6620 0.6722 0.7711 0.8390 1.6251 1.6447 1.8990 1.9401 2.0891 2.1321 2.2060 2.2538 2.2865 2.3121 2.3420 2.3803 2.4104 2.4435 2.4747 2.5137 2.6503 2.6985 3.4702 3.5044 3.8977 3.9448 4.6483 4.6589 5.7769 5.8224 6.5589 6.5788 6.8962 6.9542 7.4574 7.5305 7.6542 7.7169 8.0443 8.1292 9.5270 9.6000 9.9496 10.1203 11.2557 11.3029 11.7860 11.8292 12.6213 12.9162 k = 0.2857 0.1650 0.2185 ( 5370 PWs) bands (ev): -3.2808 -3.2770 -3.2033 -3.1969 -2.5210 -2.5093 0.2251 0.2302 0.4261 0.4329 0.4902 0.5311 0.5842 0.6460 0.6639 0.6757 0.7877 0.8514 1.6360 1.6438 1.9058 1.9347 2.0915 2.1324 2.2089 2.2547 2.2939 2.3100 2.3480 2.3837 2.4156 2.4437 2.4815 2.5160 2.6674 2.7165 3.4817 3.5189 3.8271 3.8775 4.5677 4.5759 5.6881 5.7424 6.5198 6.5481 6.8619 6.9134 7.4273 7.4737 7.6410 7.6987 8.0213 8.0682 9.4642 9.5562 9.9014 10.0760 11.2655 11.3157 11.7462 11.7902 12.6077 12.9031 k = 0.2976 0.1718 0.2185 ( 5376 PWs) bands (ev): -3.2561 -3.2522 -3.1713 -3.1646 -2.5279 -2.5160 0.2278 0.2315 0.4294 0.4355 0.4970 0.5320 0.5864 0.6497 0.6659 0.6795 0.8038 0.8638 1.6403 1.6462 1.9091 1.9327 2.0948 2.1331 2.2110 2.2563 2.2997 2.3076 2.3543 2.3866 2.4207 2.4442 2.4883 2.5181 2.6861 2.7352 3.4834 3.5202 3.7758 3.8256 4.4860 4.4938 5.6028 5.6636 6.4843 6.5196 6.8274 6.8745 7.3804 7.4097 7.6360 7.6787 7.9974 8.0120 9.4116 9.5234 9.8572 10.0361 11.2678 11.3196 11.7145 11.7604 12.5879 12.8742 k = 0.3095 0.1787 0.2185 ( 5364 PWs) bands (ev): -3.2315 -3.2277 -3.1394 -3.1323 -2.5348 -2.5227 0.2303 0.2326 0.4322 0.4381 0.5033 0.5326 0.5894 0.6541 0.6683 0.6837 0.8191 0.8760 1.6361 1.6540 1.9061 1.9369 2.0987 2.1342 2.2121 2.2588 2.3004 2.3083 2.3613 2.3894 2.4254 2.4451 2.4948 2.5203 2.7061 2.7542 3.4702 3.4999 3.7520 3.7938 4.4055 4.4136 5.5215 5.5865 6.4524 6.4926 6.7929 6.8372 7.3200 7.3394 7.6327 7.6595 7.9429 7.9911 9.3699 9.5011 9.8167 10.0005 11.2621 11.3142 11.6916 11.7409 12.5636 12.8390 k = 0.3214 0.1856 0.2185 ( 5360 PWs) bands (ev): -3.2074 -3.2035 -3.1077 -3.1003 -2.5417 -2.5294 0.2325 0.2338 0.4345 0.4407 0.5088 0.5328 0.5932 0.6585 0.6719 0.6884 0.8334 0.8877 1.6303 1.6601 1.8993 1.9448 2.1031 2.1357 2.2119 2.2624 2.2964 2.3117 2.3690 2.3923 2.4293 2.4464 2.5006 2.5226 2.7268 2.7731 3.4408 3.4598 3.7532 3.7822 4.3290 4.3369 5.4444 5.5117 6.4234 6.4663 6.7588 6.8015 7.2489 7.2631 7.6178 7.6523 7.8858 7.9780 9.3392 9.4886 9.7800 9.9690 11.2488 11.3001 11.6774 11.7319 12.5358 12.8021 k = 0.3333 0.1925 0.2185 ( 5360 PWs) bands (ev): -3.1837 -3.1799 -3.0764 -3.0687 -2.5485 -2.5361 0.2342 0.2352 0.4364 0.4433 0.5132 0.5327 0.5981 0.6620 0.6776 0.6940 0.8465 0.8989 1.6233 1.6642 1.8916 1.9536 2.1080 2.1378 2.2102 2.2670 2.2912 2.3149 2.3775 2.3954 2.4323 2.4484 2.5056 2.5252 2.7476 2.7914 3.3990 3.4110 3.7664 3.7851 4.2595 4.2665 5.3719 5.4397 6.3967 6.4404 6.7256 6.7672 7.1698 7.1810 7.5940 7.6541 7.8330 7.9657 9.3187 9.4845 9.7470 9.9416 11.2293 11.2788 11.6713 11.7323 12.5056 12.7658 k = 0.3452 0.1993 0.2185 ( 5358 PWs) bands (ev): -3.1607 -3.1569 -3.0458 -3.0378 -2.5552 -2.5428 0.2353 0.2370 0.4378 0.4457 0.5165 0.5323 0.6038 0.6643 0.6859 0.7004 0.8582 0.9093 1.6153 1.6659 1.8842 1.9625 2.1132 2.1405 2.2073 2.2713 2.2869 2.3176 2.3863 2.3986 2.4346 2.4510 2.5094 2.5282 2.7676 2.8085 3.3503 3.3619 3.7777 3.7956 4.2006 4.2077 5.3044 5.3715 6.3714 6.4140 6.6933 6.7342 7.0850 7.0941 7.5694 7.6569 7.7861 7.9530 9.3074 9.4872 9.7179 9.9182 11.2051 11.2523 11.6718 11.7405 12.4735 12.7312 k = 0.3571 0.2062 0.2185 ( 5358 PWs) bands (ev): -3.1384 -3.1348 -3.0161 -3.0078 -2.5619 -2.5493 0.2362 0.2387 0.4390 0.4479 0.5186 0.5316 0.6100 0.6658 0.6963 0.7082 0.8684 0.9187 1.6065 1.6649 1.8779 1.9708 2.1184 2.1440 2.2034 2.2704 2.2883 2.3202 2.3951 2.4022 2.4361 2.4543 2.5123 2.5318 2.7861 2.8235 3.3010 3.3148 3.7776 3.8049 4.1559 4.1680 5.2426 5.3078 6.3466 6.3863 6.6622 6.7024 6.9968 7.0041 7.5465 7.6581 7.7461 7.9393 9.3039 9.4949 9.6935 9.8987 11.1782 11.2229 11.6778 11.7548 12.4401 12.6991 k = 0.3690 0.2131 0.2185 ( 5352 PWs) bands (ev): -3.1171 -3.1136 -2.9875 -2.9789 -2.5683 -2.5558 0.2370 0.2403 0.4399 0.4498 0.5198 0.5306 0.6165 0.6667 0.7082 0.7174 0.8770 0.9269 1.5972 1.6610 1.8734 1.9782 2.1235 2.1484 2.1987 2.2646 2.2956 2.3230 2.4020 2.4076 2.4373 2.4582 2.5142 2.5356 2.8019 2.8358 3.2547 3.2705 3.7630 3.8021 4.1317 4.1511 5.1872 5.2496 6.3208 6.3559 6.6322 6.6716 6.9070 6.9147 7.5262 7.6548 7.7152 7.9243 9.3066 9.5049 9.6747 9.8829 11.1501 11.1922 11.6881 11.7740 12.4060 12.6696 k = 0.3810 0.2199 0.2185 ( 5348 PWs) bands (ev): -3.0969 -3.0935 -2.9602 -2.9514 -2.5746 -2.5622 0.2378 0.2416 0.4407 0.4514 0.5202 0.5293 0.6228 0.6673 0.7210 0.7287 0.8840 0.9336 1.5877 1.6542 1.8709 1.9842 2.1282 2.1537 2.1936 2.2576 2.3053 2.3265 2.4055 2.4158 2.4383 2.4627 2.5155 2.5398 2.8138 2.8442 3.2128 3.2300 3.7357 3.7837 4.1302 4.1549 5.1395 5.1981 6.2922 6.3212 6.6035 6.6417 6.8182 6.8300 7.5088 7.6427 7.6975 7.9083 9.3138 9.5138 9.6637 9.8707 11.1221 11.1614 11.7019 11.7973 12.3715 12.6429 k = 0.3929 0.2268 0.2185 ( 5348 PWs) bands (ev): -3.0778 -3.0746 -2.9345 -2.9256 -2.5806 -2.5684 0.2385 0.2427 0.4414 0.4526 0.5200 0.5278 0.6287 0.6676 0.7341 0.7423 0.8893 0.9388 1.5781 1.6448 1.8706 1.9884 2.1326 2.1597 2.1883 2.2508 2.3161 2.3309 2.4078 2.4243 2.4395 2.4679 2.5162 2.5443 2.8206 2.8479 3.1759 3.1941 3.7013 3.7545 4.1455 4.1726 5.1008 5.1549 6.2580 6.2803 6.5758 6.6118 6.7358 6.7531 7.4944 7.6228 7.6915 7.8913 9.3242 9.5180 9.6626 9.8618 11.0950 11.1315 11.7186 11.8239 12.3371 12.6186 k = 0.4048 0.2337 0.2185 ( 5336 PWs) bands (ev): -3.0601 -3.0571 -2.9106 -2.9018 -2.5863 -2.5744 0.2392 0.2436 0.4421 0.4534 0.5196 0.5260 0.6341 0.6677 0.7474 0.7578 0.8928 0.9421 1.5688 1.6333 1.8725 1.9904 2.1365 2.1658 2.1836 2.2447 2.3271 2.3370 2.4094 2.4313 2.4421 2.4738 2.5165 2.5492 2.8209 2.8464 3.1441 3.1632 3.6662 3.7214 4.1696 4.1970 5.0727 5.1215 6.2144 6.2317 6.5486 6.5809 6.6661 6.6874 7.4830 7.6011 7.6909 7.8737 9.3364 9.5158 9.6719 9.8559 11.0697 11.1031 11.7380 11.8536 12.3031 12.5959 k = 0.4167 0.2406 0.2185 ( 5332 PWs) bands (ev): -3.0440 -3.0412 -2.8887 -2.8800 -2.5916 -2.5802 0.2399 0.2443 0.4427 0.4539 0.5189 0.5242 0.6389 0.6675 0.7612 0.7746 0.8946 0.9436 1.5602 1.6203 1.8764 1.9900 2.1402 2.1702 2.1814 2.2394 2.3364 2.3463 2.4105 2.4347 2.4481 2.4807 2.5164 2.5547 2.8137 2.8393 3.1174 3.1374 3.6349 3.6897 4.1956 4.2223 5.0565 5.0996 6.1583 6.1749 6.5211 6.5491 6.6142 6.6353 7.4745 7.5804 7.6927 7.8559 9.3493 9.5084 9.6890 9.8523 11.0466 11.0767 11.7598 11.8856 12.2702 12.5736 k = 0.4286 0.2474 0.2185 ( 5346 PWs) bands (ev): -3.0295 -3.0271 -2.8690 -2.8608 -2.5963 -2.5857 0.2406 0.2447 0.4434 0.4540 0.5181 0.5224 0.6432 0.6671 0.7754 0.7921 0.8947 0.9430 1.5525 1.6066 1.8820 1.9872 2.1435 2.1697 2.1848 2.2350 2.3442 2.3583 2.4111 2.4356 2.4566 2.4888 2.5159 2.5613 2.7991 2.8265 3.0958 3.1162 3.6098 3.6619 4.2195 4.2445 5.0534 5.0902 6.0913 6.1094 6.4937 6.5206 6.5779 6.5968 7.4688 7.5615 7.6960 7.8380 9.3623 9.4982 9.7105 9.8504 11.0262 11.0528 11.7838 11.9192 12.2394 12.5495 k = 0.4405 0.2543 0.2185 ( 5348 PWs) bands (ev): -3.0169 -3.0148 -2.8518 -2.8442 -2.6003 -2.5907 0.2413 0.2450 0.4441 0.4537 0.5173 0.5207 0.6469 0.6664 0.7898 0.8098 0.8930 0.9402 1.5461 1.5930 1.8889 1.9821 2.1465 2.1671 2.1907 2.2313 2.3520 2.3704 2.4115 2.4355 2.4657 2.4986 2.5151 2.5691 2.7785 2.8082 3.0790 3.0989 3.5920 3.6392 4.2388 4.2614 5.0632 5.0936 6.0179 6.0367 6.4700 6.4975 6.5517 6.5691 7.4658 7.5443 7.7006 7.8204 9.3750 9.4867 9.7337 9.8493 11.0088 11.0315 11.8097 11.9523 12.2127 12.5211 k = 0.4524 0.2612 0.2185 ( 5348 PWs) bands (ev): -3.0062 -3.0045 -2.8372 -2.8305 -2.6036 -2.5953 0.2420 0.2452 0.4449 0.4532 0.5166 0.5192 0.6502 0.6656 0.8041 0.8272 0.8899 0.9354 1.5414 1.5799 1.8970 1.9750 2.1492 2.1645 2.1969 2.2281 2.3599 2.3810 2.4120 2.4348 2.4749 2.5094 2.5156 2.5785 2.7537 2.7855 3.0668 3.0848 3.5810 3.6213 4.2529 4.2723 5.0843 5.1085 5.9436 5.9614 6.4528 6.4790 6.5329 6.5487 7.4651 7.5289 7.7065 7.8034 9.3870 9.4750 9.7566 9.8481 10.9946 11.0133 11.8375 11.9808 12.1941 12.4857 k = 0.4643 0.2681 0.2185 ( 5342 PWs) bands (ev): -2.9977 -2.9964 -2.8253 -2.8199 -2.6060 -2.5994 0.2426 0.2451 0.4458 0.4524 0.5161 0.5178 0.6531 0.6645 0.8179 0.8436 0.8855 0.9284 1.5385 1.5680 1.9060 1.9665 2.1515 2.1624 2.2026 2.2252 2.3677 2.3883 2.4135 2.4334 2.4833 2.5105 2.5288 2.5891 2.7273 2.7601 3.0586 3.0733 3.5758 3.6075 4.2623 4.2777 5.1130 5.1313 5.8741 5.8895 6.4420 6.4641 6.5199 6.5332 7.4667 7.5152 7.7139 7.7871 9.3985 9.4634 9.7781 9.8460 10.9840 10.9983 11.8665 11.9975 12.1908 12.4428 k = 0.4762 0.2749 0.2185 ( 5364 PWs) bands (ev): -2.9915 -2.9906 -2.8164 -2.8126 -2.6074 -2.6028 0.2432 0.2450 0.4468 0.4514 0.5157 0.5168 0.6556 0.6632 0.8311 0.8569 0.8819 0.9195 1.5378 1.5577 1.9157 1.9570 2.1536 2.1605 2.2076 2.2224 2.3750 2.3911 2.4167 2.4314 2.4905 2.5082 2.5483 2.5988 2.7032 2.7340 3.0539 3.0644 3.5751 3.5970 4.2684 4.2791 5.1436 5.1562 5.8161 5.8276 6.4364 6.4524 6.5121 6.5217 7.4704 7.5030 7.7226 7.7717 9.4095 9.4522 9.7971 9.8420 10.9770 10.9867 11.8964 11.9963 12.2087 12.3939 k = 0.4881 0.2818 0.2185 ( 5368 PWs) bands (ev): -2.9876 -2.9872 -2.8105 -2.8086 -2.6077 -2.6053 0.2438 0.2447 0.4479 0.4503 0.5156 0.5161 0.6579 0.6617 0.8431 0.8602 0.8857 0.9088 1.5393 1.5494 1.9259 1.9468 2.1555 2.1589 2.2121 2.2193 2.3815 2.3902 2.4210 2.4287 2.4964 2.5052 2.5702 2.6016 2.6890 2.7101 3.0524 3.0578 3.5776 3.5888 4.2725 4.2780 5.1687 5.1752 5.7775 5.7838 6.4353 6.4436 6.5087 6.5138 7.4760 7.4924 7.7329 7.7575 9.4201 9.4413 9.8131 9.8354 10.9737 10.9786 11.9263 11.9798 12.2446 12.3421 k = 0.5000 0.2887 0.2185 ( 5372 PWs) bands (ev): -2.9862 -2.9862 -2.8079 -2.8079 -2.6070 -2.6070 0.2443 0.2443 0.4491 0.4491 0.5157 0.5157 0.6599 0.6599 0.8534 0.8534 0.8969 0.8969 1.5432 1.5432 1.9363 1.9363 2.1572 2.1572 2.2160 2.2160 2.3867 2.3867 2.4252 2.4252 2.5013 2.5013 2.5906 2.5906 2.6926 2.6926 3.0538 3.0538 3.5823 3.5823 4.2756 4.2756 5.1805 5.1805 5.7657 5.7657 6.4378 6.4378 6.5094 6.5094 7.4833 7.4833 7.7445 7.7445 9.4307 9.4307 9.8259 9.8259 10.9743 10.9743 11.9549 11.9549 12.2910 12.2910 k = 0.5000 0.2887 0.2185 ( 5372 PWs) bands (ev): -2.9862 -2.9862 -2.8079 -2.8079 -2.6070 -2.6070 0.2443 0.2443 0.4491 0.4491 0.5157 0.5157 0.6599 0.6599 0.8534 0.8534 0.8969 0.8969 1.5432 1.5432 1.9363 1.9363 2.1572 2.1572 2.2160 2.2160 2.3867 2.3867 2.4252 2.4252 2.5013 2.5013 2.5906 2.5906 2.6926 2.6926 3.0538 3.0538 3.5823 3.5823 4.2756 4.2756 5.1805 5.1805 5.7657 5.7657 6.4378 6.4378 6.5094 6.5094 7.4833 7.4833 7.7445 7.7445 9.4307 9.4307 9.8259 9.8259 10.9743 10.9743 11.9549 11.9549 12.2910 12.2910 k = 0.4931 0.3007 0.2185 ( 5372 PWs) bands (ev): -2.9858 -2.9854 -2.8078 -2.8076 -2.6072 -2.6071 0.2443 0.2445 0.4479 0.4513 0.5147 0.5168 0.6586 0.6610 0.8514 0.8553 0.8962 0.8975 1.5405 1.5474 1.9293 1.9430 2.1567 2.1575 2.2154 2.2172 2.3819 2.3904 2.4212 2.4285 2.4980 2.5033 2.5894 2.5932 2.6922 2.6940 3.0510 3.0572 3.5798 3.5869 4.2741 4.2769 5.1806 5.1815 5.7662 5.7668 6.4256 6.4258 6.4955 6.4963 7.4895 7.4953 7.7532 7.7576 9.4261 9.4265 9.8193 9.8256 10.9778 10.9984 11.9269 11.9324 12.2976 12.3221 k = 0.4861 0.3127 0.2185 ( 5384 PWs) bands (ev): -2.9842 -2.9836 -2.8072 -2.8068 -2.6077 -2.6073 0.2444 0.2449 0.4478 0.4544 0.5138 0.5181 0.6572 0.6620 0.8491 0.8570 0.8953 0.8980 1.5392 1.5530 1.9221 1.9495 2.1558 2.1576 2.2156 2.2191 2.3759 2.3933 2.4172 2.4307 2.4939 2.5036 2.5898 2.5972 2.6929 2.6962 3.0487 3.0611 3.5794 3.5936 4.2722 4.2778 5.1819 5.1837 5.7683 5.7695 6.3913 6.3915 6.4567 6.4584 7.5117 7.5222 7.7819 7.7900 9.4144 9.4146 9.8074 9.8185 11.0072 11.0478 11.8621 11.8743 12.3295 12.3773 k = 0.4792 0.3248 0.2185 ( 5378 PWs) bands (ev): -2.9816 -2.9806 -2.8061 -2.8056 -2.6084 -2.6078 0.2448 0.2454 0.4486 0.4585 0.5130 0.5194 0.6557 0.6629 0.8467 0.8584 0.8943 0.8984 1.5392 1.5600 1.9146 1.9558 2.1545 2.1578 2.2167 2.2213 2.3685 2.3953 2.4136 2.4314 2.4896 2.5023 2.5919 2.6023 2.6944 2.6991 3.0471 3.0655 3.5812 3.6021 4.2697 4.2781 5.1843 5.1870 5.7718 5.7735 6.3396 6.3396 6.3979 6.4008 7.5434 7.5571 7.8259 7.8367 9.3988 9.3994 9.7931 9.8068 11.0573 11.1168 11.7828 11.8020 12.3688 12.4397 k = 0.4722 0.3368 0.2185 ( 5368 PWs) bands (ev): -2.9779 -2.9765 -2.8047 -2.8040 -2.6093 -2.6086 0.2454 0.2460 0.4505 0.4634 0.5125 0.5208 0.6540 0.6636 0.8441 0.8595 0.8931 0.8986 1.5406 1.5684 1.9069 1.9618 2.1529 2.1581 2.2187 2.2238 2.3600 2.3967 2.4106 2.4304 2.4853 2.4993 2.5953 2.6084 2.6968 2.7024 3.0462 3.0704 3.5848 3.6122 4.2665 4.2776 5.1879 5.1913 5.7764 5.7787 6.2757 6.2762 6.3254 6.3294 7.5765 7.5915 7.8791 7.8911 9.3847 9.3868 9.7792 9.7934 11.1199 11.1966 11.7048 11.7294 12.4081 12.5022 k = 0.4653 0.3488 0.2185 ( 5376 PWs) bands (ev): -2.9731 -2.9714 -2.8028 -2.8019 -2.6104 -2.6096 0.2461 0.2468 0.4534 0.4692 0.5122 0.5222 0.6522 0.6643 0.8414 0.8603 0.8919 0.8987 1.5433 1.5781 1.8992 1.9676 2.1508 2.1587 2.2214 2.2263 2.3508 2.3971 2.4081 2.4281 2.4813 2.4951 2.5996 2.6154 2.6997 2.7059 3.0462 3.0757 3.5901 3.6237 4.2619 4.2757 5.1924 5.1964 5.7820 5.7847 6.2047 6.2060 6.2451 6.2503 7.6026 7.6171 7.9354 7.9470 9.3791 9.3831 9.7681 9.7810 11.1836 11.2723 11.6437 11.6687 12.4464 12.5635 k = 0.4583 0.3608 0.2185 ( 5360 PWs) bands (ev): -2.9673 -2.9652 -2.8006 -2.7996 -2.6118 -2.6108 0.2469 0.2475 0.4572 0.4758 0.5123 0.5237 0.6503 0.6649 0.8387 0.8608 0.8905 0.8987 1.5471 1.5890 1.8913 1.9732 2.1484 2.1595 2.2248 2.2286 2.3412 2.3964 2.4061 2.4249 2.4780 2.4902 2.6046 2.6231 2.7029 2.7094 3.0470 3.0815 3.5968 3.6361 4.2555 4.2719 5.1979 5.2023 5.7877 5.7905 6.1296 6.1318 6.1638 6.1701 7.6150 7.6272 7.9891 7.9987 9.3880 9.3940 9.7618 9.7723 11.2319 11.3154 11.6271 11.6350 12.4846 12.6244 k = 0.4514 0.3729 0.2185 ( 5368 PWs) bands (ev): -2.9605 -2.9580 -2.7981 -2.7969 -2.6134 -2.6122 0.2478 0.2482 0.4619 0.4829 0.5128 0.5252 0.6484 0.6655 0.8358 0.8610 0.8891 0.8985 1.5520 1.6009 1.8836 1.9788 2.1457 2.1607 2.2288 2.2306 2.3318 2.3942 2.4043 2.4214 2.4754 2.4851 2.6097 2.6313 2.7061 2.7127 3.0488 3.0879 3.6046 3.6491 4.2466 4.2655 5.2043 5.2088 5.7925 5.7949 6.0498 6.0531 6.0900 6.0971 7.6086 7.6175 8.0355 8.0419 9.4159 9.4234 9.7625 9.7699 11.2473 11.3033 11.6440 11.6754 12.5237 12.6858 k = 0.4444 0.3849 0.2185 ( 5364 PWs) bands (ev): -2.9527 -2.9499 -2.7954 -2.7939 -2.6152 -2.6138 0.2488 0.2489 0.4674 0.4902 0.5142 0.5268 0.6465 0.6663 0.8328 0.8608 0.8875 0.8982 1.5579 1.6138 1.8762 1.9842 2.1428 2.1621 2.2319 2.2333 2.3231 2.3903 2.4027 2.4179 2.4738 2.4801 2.6148 2.6397 2.7092 2.7156 3.0516 3.0947 3.6129 3.6622 4.2346 4.2558 5.2115 5.2158 5.7944 5.7951 5.9675 5.9716 6.0300 6.0370 7.5817 7.5868 8.0704 8.0727 9.4644 9.4728 9.7721 9.7762 11.2292 11.2584 11.6943 11.7641 12.5644 12.7478 k = 0.4375 0.3969 0.2185 ( 5352 PWs) bands (ev): -2.9441 -2.9410 -2.7924 -2.7908 -2.6172 -2.6156 0.2495 0.2498 0.4736 0.4972 0.5168 0.5284 0.6448 0.6672 0.8297 0.8602 0.8859 0.8977 1.5646 1.6273 1.8693 1.9896 2.1396 2.1637 2.2324 2.2381 2.3155 2.3848 2.4010 2.4148 2.4734 2.4757 2.6195 2.6481 2.7119 2.7180 3.0557 3.1022 3.6212 3.6749 4.2188 4.2420 5.2197 5.2233 5.7856 5.7895 5.8896 5.8932 5.9862 5.9919 7.5349 7.5360 8.0888 8.0908 9.5324 9.5408 9.7923 9.7934 11.1937 11.2051 11.7683 11.8662 12.6067 12.8091 k = 0.4306 0.4090 0.2185 ( 5340 PWs) bands (ev): -2.9347 -2.9312 -2.7894 -2.7875 -2.6194 -2.6177 0.2501 0.2507 0.4804 0.5027 0.5217 0.5300 0.6432 0.6684 0.8265 0.8592 0.8842 0.8972 1.5720 1.6411 1.8633 1.9949 2.1363 2.1653 2.2318 2.2432 2.3096 2.3781 2.3991 2.4118 2.4723 2.4744 2.6239 2.6562 2.7141 2.7198 3.0610 3.1102 3.6290 3.6865 4.1986 4.2235 5.2288 5.2314 5.7557 5.7675 5.8280 5.8300 5.9607 5.9632 7.4682 7.4706 8.0888 8.0948 9.6170 9.6240 9.8229 9.8240 11.1529 11.1533 11.8517 11.9696 12.6497 12.8667 k = 0.4236 0.4210 0.2185 ( 5340 PWs) bands (ev): -2.9245 -2.9207 -2.7862 -2.7842 -2.6218 -2.6199 0.2505 0.2516 0.4874 0.5066 0.5288 0.5317 0.6420 0.6701 0.8231 0.8578 0.8825 0.8965 1.5800 1.6548 1.8585 2.0003 2.1327 2.1665 2.2304 2.2484 2.3055 2.3708 2.3968 2.4088 2.4701 2.4766 2.6276 2.6636 2.7157 2.7208 3.0676 3.1188 3.6358 3.6965 4.1738 4.1999 5.2393 5.2402 5.7008 5.7157 5.7916 5.7977 5.9500 5.9515 7.3868 7.3924 8.0727 8.0823 9.7143 9.7179 9.8660 9.8675 11.1052 11.1142 11.9372 12.0691 12.6914 12.9161 k = 0.4167 0.4330 0.2185 ( 5340 PWs) bands (ev): -2.9137 -2.9096 -2.7831 -2.7809 -2.6243 -2.6223 0.2509 0.2523 0.4946 0.5094 0.5335 0.5374 0.6414 0.6724 0.8195 0.8559 0.8807 0.8957 1.5883 1.6677 1.8556 2.0056 2.1287 2.1666 2.2287 2.2536 2.3033 2.3633 2.3941 2.4057 2.4694 2.4802 2.6307 2.6702 2.7165 2.7210 3.0755 3.1280 3.6410 3.7044 4.1442 4.1711 5.2502 5.2514 5.6396 5.6553 5.7688 5.7811 5.9476 5.9526 7.2953 7.3038 8.0418 8.0543 9.8156 9.8194 9.9224 9.9247 11.0628 11.0789 12.0214 12.1621 12.7284 12.9519 k = 0.4097 0.4450 0.2185 ( 5348 PWs) bands (ev): -2.9024 -2.8979 -2.7802 -2.7778 -2.6271 -2.6248 0.2511 0.2530 0.5016 0.5118 0.5352 0.5463 0.6417 0.6755 0.8158 0.8537 0.8788 0.8947 1.5969 1.6791 1.8551 2.0109 2.1243 2.1651 2.2277 2.2588 2.3028 2.3561 2.3911 2.4024 2.4704 2.4851 2.6331 2.6755 2.7167 2.7202 3.0849 3.1377 3.6443 3.7098 4.1101 4.1374 5.2617 5.2656 5.5832 5.6002 5.7540 5.7715 5.9512 5.9589 7.1968 7.2078 7.9985 8.0132 9.9073 9.9247 9.9913 10.0034 11.0260 11.0483 12.1030 12.2475 12.7566 12.9698 k = 0.4028 0.4571 0.2185 ( 5356 PWs) bands (ev): -2.8906 -2.8858 -2.7774 -2.7748 -2.6299 -2.6275 0.2513 0.2535 0.5081 0.5143 0.5370 0.5547 0.6432 0.6795 0.8119 0.8510 0.8769 0.8936 1.6055 1.6883 1.8579 2.0162 2.1194 2.1613 2.2284 2.2636 2.3034 2.3496 2.3877 2.3991 2.4730 2.4911 2.6346 2.6794 2.7160 2.7184 3.0956 3.1478 3.6454 3.7123 4.0723 4.0994 5.2751 5.2823 5.5352 5.5537 5.7467 5.7684 5.9572 5.9670 7.0939 7.1073 7.9456 7.9620 9.9873 10.0155 10.0832 10.1023 10.9945 11.0227 12.1814 12.3253 12.7720 12.9676 k = 0.3958 0.4691 0.2185 ( 5348 PWs) bands (ev): -2.8785 -2.8734 -2.7749 -2.7722 -2.6329 -2.6304 0.2514 0.2540 0.5141 0.5168 0.5387 0.5620 0.6464 0.6846 0.8079 0.8479 0.8749 0.8924 1.6141 1.6948 1.8645 2.0215 2.1139 2.1552 2.2312 2.2680 2.3049 2.3441 2.3840 2.3957 2.4773 2.4984 2.6353 2.6814 2.7147 2.7156 3.1076 3.1581 3.6444 3.7120 4.0315 4.0582 5.2907 5.3015 5.4973 5.5175 5.7462 5.7715 5.9634 5.9747 6.9890 7.0046 7.8865 7.9039 10.0599 10.0909 10.1935 10.2119 10.9682 11.0019 12.2565 12.3960 12.7724 12.9459 k = 0.3889 0.4811 0.2185 ( 5356 PWs) bands (ev): -2.8662 -2.8608 -2.7728 -2.7699 -2.6359 -2.6333 0.2515 0.2542 0.5192 0.5195 0.5404 0.5677 0.6516 0.6908 0.8038 0.8444 0.8728 0.8910 1.6225 1.6982 1.8748 2.0266 2.1076 2.1471 2.2356 2.2717 2.3070 2.3401 2.3802 2.3921 2.4832 2.5068 2.6352 2.6813 2.7117 2.7127 3.1205 3.1685 3.6416 3.7090 3.9888 4.0149 5.3083 5.3230 5.4703 5.4924 5.7517 5.7801 5.9681 5.9804 6.8841 6.9018 7.8242 7.8422 10.1284 10.1603 10.3078 10.3236 10.9466 10.9860 12.3284 12.4598 12.7580 12.9075 k = 0.3819 0.4932 0.2185 ( 5342 PWs) bands (ev): -2.8539 -2.8481 -2.7712 -2.7681 -2.6390 -2.6364 0.2515 0.2544 0.5223 0.5234 0.5418 0.5716 0.6588 0.6979 0.7997 0.8405 0.8704 0.8894 1.6306 1.6989 1.8887 2.0315 2.1004 2.1377 2.2414 2.2745 2.3095 2.3376 2.3764 2.3885 2.4908 2.5165 2.6341 2.6790 2.7068 2.7100 3.1342 3.1785 3.6377 3.7040 3.9455 3.9708 5.3277 5.3457 5.4553 5.4787 5.7619 5.7927 5.9700 5.9826 6.7813 6.8009 7.7619 7.7799 10.1928 10.2251 10.4195 10.4324 10.9296 10.9747 12.3974 12.5162 12.7326 12.8569 k = 0.3750 0.5052 0.2185 ( 5342 PWs) bands (ev): -2.8417 -2.8357 -2.7702 -2.7670 -2.6421 -2.6394 0.2516 0.2544 0.5253 0.5269 0.5429 0.5738 0.6677 0.7057 0.7960 0.8362 0.8679 0.8876 1.6384 1.6976 1.9053 2.0360 2.0924 2.1274 2.2478 2.2765 2.3124 2.3369 2.3725 2.3847 2.4999 2.5274 2.6321 2.6746 2.7010 2.7064 3.1481 3.1876 3.6339 3.6981 3.9026 3.9272 5.3484 5.3681 5.4531 5.4761 5.7755 5.8078 5.9682 5.9802 6.6825 6.7040 7.7026 7.7201 10.2521 10.2843 10.5247 10.5346 10.9171 10.9681 12.4630 12.5611 12.7051 12.7992 k = 0.3681 0.5172 0.2185 ( 5350 PWs) bands (ev): -2.8298 -2.8235 -2.7698 -2.7665 -2.6452 -2.6425 0.2517 0.2543 0.5283 0.5296 0.5436 0.5747 0.6777 0.7136 0.7931 0.8317 0.8651 0.8858 1.6457 1.6947 1.9240 2.0399 2.0835 2.1168 2.2543 2.2775 2.3156 2.3379 2.3686 2.3808 2.5103 2.5396 2.6293 2.6682 2.6945 2.7017 3.1616 3.1954 3.6313 3.6925 3.8612 3.8851 5.3700 5.3887 5.4638 5.4836 5.7909 5.8233 5.9622 5.9723 6.5905 6.6134 7.6488 7.6653 10.3049 10.3362 10.6198 10.6264 10.9096 10.9663 12.5245 12.5802 12.6953 12.7403 k = 0.3611 0.5292 0.2185 ( 5346 PWs) bands (ev): -2.8184 -2.8120 -2.7702 -2.7668 -2.6480 -2.6455 0.2518 0.2542 0.5314 0.5318 0.5438 0.5747 0.6882 0.7205 0.7916 0.8270 0.8620 0.8838 1.6524 1.6908 1.9442 2.0429 2.0737 2.1064 2.2604 2.2779 2.3193 2.3402 2.3646 2.3768 2.5219 2.5530 2.6257 2.6600 2.6875 2.6959 3.1741 3.2012 3.6314 3.6888 3.8223 3.8454 5.3927 5.4077 5.4843 5.4987 5.8063 5.8364 5.9523 5.9588 6.5082 6.5317 7.6030 7.6176 10.3501 10.3791 10.7006 10.7039 10.9080 10.9699 12.5647 12.5764 12.6899 12.7175 k = 0.3542 0.5413 0.2185 ( 5330 PWs) bands (ev): -2.8079 -2.8014 -2.7714 -2.7681 -2.6504 -2.6483 0.2520 0.2540 0.5334 0.5343 0.5435 0.5742 0.6985 0.7253 0.7925 0.8221 0.8588 0.8820 1.6586 1.6864 1.9652 2.0443 2.0633 2.0970 2.2658 2.2778 2.3233 2.3434 2.3607 2.3726 2.5340 2.5674 2.6219 2.6503 2.6807 2.6891 3.1849 3.2047 3.6354 3.6887 3.7868 3.8090 5.4162 5.4269 5.5094 5.5180 5.8195 5.8439 5.9397 5.9405 6.4399 6.4622 7.5667 7.5788 10.3869 10.4119 10.7624 10.7633 10.9134 10.9790 12.5378 12.5891 12.6816 12.7533 k = 0.3472 0.5533 0.2185 ( 5316 PWs) bands (ev): -2.7986 -2.7920 -2.7733 -2.7703 -2.6524 -2.6507 0.2523 0.2537 0.5345 0.5369 0.5429 0.5735 0.7079 0.7271 0.7961 0.8172 0.8554 0.8803 1.6642 1.6819 1.9867 2.0430 2.0522 2.0897 2.2701 2.2772 2.3274 2.3471 2.3569 2.3685 2.5453 2.5826 2.6188 2.6394 2.6744 2.6815 3.1934 3.2059 3.6436 3.6937 3.7558 3.7762 5.4392 5.4461 5.5336 5.5374 5.8285 5.8440 5.9206 5.9259 6.3901 6.4083 7.5413 7.5501 10.4149 10.4336 10.8016 10.8022 10.9258 10.9921 12.5163 12.5592 12.7212 12.7899 k = 0.3403 0.5653 0.2185 ( 5316 PWs) bands (ev): -2.7913 -2.7843 -2.7756 -2.7735 -2.6535 -2.6525 0.2526 0.2533 0.5353 0.5391 0.5419 0.5729 0.7159 0.7257 0.8018 0.8123 0.8525 0.8791 1.6691 1.6775 2.0082 2.0382 2.0407 2.0857 2.2732 2.2764 2.3310 2.3507 2.3538 2.3647 2.5536 2.5974 2.6179 2.6280 2.6698 2.6740 3.1993 3.2050 3.6544 3.7049 3.7317 3.7475 5.4581 5.4622 5.5515 5.5522 5.8319 5.8394 5.9053 5.9121 6.3625 6.3730 7.5273 7.5320 10.4338 10.4442 10.8211 10.8223 10.9391 11.0043 12.5066 12.5299 12.7636 12.8222 k = 0.3333 0.5774 0.2185 ( 5310 PWs) bands (ev): -2.7882 -2.7797 -2.7767 -2.7767 -2.6536 -2.6536 0.2530 0.2530 0.5355 0.5407 0.5407 0.5727 0.7219 0.7219 0.8075 0.8075 0.8511 0.8786 1.6734 1.6734 2.0280 2.0303 2.0303 2.0845 2.2751 2.2751 2.3325 2.3525 2.3526 2.3627 2.5565 2.6062 2.6196 2.6196 2.6690 2.6690 3.2028 3.2028 3.6608 3.7218 3.7218 3.7238 5.4662 5.4691 5.5581 5.5581 5.8315 5.8365 5.9024 5.9024 6.3576 6.3576 7.5244 7.5244 10.4438 10.4438 10.8274 10.8274 10.9448 11.0094 12.5115 12.5115 12.7837 12.8389 k = 0.3333 0.5774 0.2185 ( 5310 PWs) bands (ev): -2.7882 -2.7797 -2.7767 -2.7767 -2.6536 -2.6536 0.2530 0.2530 0.5355 0.5407 0.5407 0.5727 0.7219 0.7219 0.8075 0.8075 0.8511 0.8786 1.6734 1.6734 2.0280 2.0303 2.0303 2.0845 2.2751 2.2751 2.3325 2.3525 2.3526 2.3627 2.5565 2.6062 2.6196 2.6196 2.6690 2.6690 3.2028 3.2028 3.6608 3.7218 3.7218 3.7238 5.4662 5.4691 5.5581 5.5581 5.8315 5.8365 5.9024 5.9024 6.3576 6.3576 7.5244 7.5244 10.4438 10.4438 10.8274 10.8274 10.9448 11.0094 12.5115 12.5115 12.7837 12.8389 k = 0.3264 0.5653 0.2185 ( 5314 PWs) bands (ev): -2.7910 -2.7841 -2.7753 -2.7746 -2.6536 -2.6523 0.2525 0.2534 0.5352 0.5395 0.5416 0.5730 0.7164 0.7254 0.8027 0.8104 0.8531 0.8792 1.6697 1.6769 2.0170 2.0204 2.0502 2.0853 2.2735 2.2760 2.3309 2.3505 2.3540 2.3647 2.5541 2.5981 2.6204 2.6214 2.6719 2.6751 3.2003 3.2046 3.6540 3.7022 3.7345 3.7474 5.4561 5.4603 5.5499 5.5522 5.8354 5.8408 5.9051 5.9157 6.3609 6.3723 7.5267 7.5320 10.4331 10.4452 10.8205 10.8239 10.9390 11.0037 12.5051 12.5306 12.7684 12.8239 k = 0.3194 0.5533 0.2185 ( 5328 PWs) bands (ev): -2.7971 -2.7910 -2.7743 -2.7739 -2.6523 -2.6497 0.2521 0.2538 0.5343 0.5383 0.5417 0.5738 0.7097 0.7263 0.7978 0.8089 0.8593 0.8810 1.6666 1.6797 2.0053 2.0097 2.0699 2.0869 2.2715 2.2761 2.3268 2.3465 2.3574 2.3685 2.5483 2.5853 2.6157 2.6201 2.6853 2.6892 3.1984 3.2054 3.6410 3.6854 3.7620 3.7780 5.4266 5.4335 5.5257 5.5316 5.8527 5.8566 5.9254 5.9435 6.3800 6.4021 7.5380 7.5492 10.4129 10.4384 10.8031 10.8098 10.9239 10.9872 12.5088 12.5612 12.7431 12.8018 k = 0.3125 0.5413 0.2185 ( 5338 PWs) bands (ev): -2.8051 -2.7993 -2.7759 -2.7753 -2.6497 -2.6456 0.2516 0.2543 0.5327 0.5372 0.5411 0.5750 0.7024 0.7248 0.7925 0.8039 0.8683 0.8841 1.6642 1.6817 1.9939 1.9991 2.0884 2.0888 2.2692 2.2753 2.3216 2.3420 2.3612 2.3727 2.5410 2.5721 2.6062 2.6161 2.7050 2.7089 3.1980 3.2062 3.6282 3.6722 3.7966 3.8137 5.3832 5.3930 5.4871 5.4961 5.8857 5.8869 5.9607 5.9822 6.4114 6.4428 7.5571 7.5748 10.3841 10.4236 10.7751 10.7820 10.9054 10.9626 12.5192 12.5980 12.7221 12.7860 k = 0.3056 0.5292 0.2185 ( 5352 PWs) bands (ev): -2.8147 -2.8090 -2.7804 -2.7788 -2.6459 -2.6404 0.2511 0.2548 0.5307 0.5360 0.5400 0.5764 0.6945 0.7211 0.7865 0.7968 0.8785 0.8882 1.6624 1.6829 1.9831 1.9889 2.0907 2.1052 2.2669 2.2740 2.3159 2.3374 2.3648 2.3768 2.5336 2.5591 2.5947 2.6109 2.7277 2.7319 3.2000 3.2080 3.6175 3.6622 3.8354 3.8532 5.3325 5.3448 5.4387 5.4498 5.9297 5.9320 6.0064 6.0284 6.4521 6.4914 7.5828 7.6073 10.3476 10.4014 10.7365 10.7389 10.8885 10.9338 12.5321 12.6343 12.7087 12.7788 k = 0.2986 0.5172 0.2185 ( 5344 PWs) bands (ev): -2.8257 -2.8201 -2.7873 -2.7848 -2.6411 -2.6344 0.2506 0.2553 0.5285 0.5346 0.5385 0.5779 0.6864 0.7159 0.7798 0.7883 0.8887 0.8929 1.6613 1.6833 1.9730 1.9796 2.0923 2.1197 2.2649 2.2720 2.3100 2.3329 2.3680 2.3806 2.5265 2.5467 2.5827 2.6051 2.7519 2.7564 3.2049 3.2115 3.6093 3.6551 3.8764 3.8952 5.2792 5.2939 5.3857 5.3985 5.9811 5.9879 6.0597 6.0796 6.4998 6.5459 7.6139 7.6457 10.3047 10.3721 10.6830 10.6876 10.8744 10.9044 12.5438 12.6631 12.7033 12.7800 k = 0.2917 0.5052 0.2185 ( 5340 PWs) bands (ev): -2.8383 -2.8327 -2.7963 -2.7931 -2.6356 -2.6278 0.2500 0.2557 0.5260 0.5328 0.5367 0.5792 0.6780 0.7096 0.7724 0.7791 0.8980 0.8984 1.6610 1.6829 1.9636 1.9714 2.0936 2.1315 2.2638 2.2697 2.3042 2.3286 2.3706 2.3842 2.5203 2.5349 2.5708 2.5990 2.7767 2.7814 3.2134 3.2174 3.6036 3.6504 3.9179 3.9380 5.2270 5.2436 5.3328 5.3470 6.0375 6.0507 6.1193 6.1341 6.5530 6.6050 7.6490 7.6885 10.2563 10.3367 10.6182 10.6299 10.8621 10.8767 12.5513 12.6806 12.7054 12.7876 k = 0.2847 0.4932 0.2185 ( 5346 PWs) bands (ev): -2.8522 -2.8467 -2.8074 -2.8035 -2.6295 -2.6209 0.2494 0.2561 0.5233 0.5307 0.5347 0.5802 0.6696 0.7025 0.7644 0.7695 0.9028 0.9073 1.6614 1.6817 1.9553 1.9645 2.0944 2.1399 2.2643 2.2669 2.2987 2.3244 2.3727 2.3874 2.5151 2.5239 2.5593 2.5929 2.8016 2.8058 3.2257 3.2263 3.6004 3.6479 3.9582 3.9797 5.1783 5.1964 5.2838 5.2991 6.0962 6.1184 6.1844 6.1910 6.6104 6.6676 7.6871 7.7346 10.2041 10.2963 10.5482 10.5659 10.8508 10.8513 12.5534 12.6872 12.7134 12.7982 k = 0.2778 0.4811 0.2185 ( 5352 PWs) bands (ev): -2.8676 -2.8622 -2.8203 -2.8159 -2.6232 -2.6138 0.2487 0.2563 0.5204 0.5282 0.5327 0.5806 0.6613 0.6950 0.7560 0.7597 0.9071 0.9149 1.6623 1.6799 1.9479 1.9588 2.0946 2.1446 2.2639 2.2668 2.2937 2.3204 2.3744 2.3902 2.5109 2.5136 2.5486 2.5867 2.8258 2.8289 3.2386 3.2421 3.5998 3.6474 3.9951 4.0181 5.1357 5.1546 5.2418 5.2575 6.1558 6.1896 6.2496 6.2545 6.6712 6.7330 7.7268 7.7828 10.1494 10.2523 10.4756 10.4979 10.8285 10.8401 12.5496 12.6845 12.7257 12.8098 k = 0.2708 0.4691 0.2185 ( 5352 PWs) bands (ev): -2.8844 -2.8791 -2.8349 -2.8302 -2.6167 -2.6068 0.2480 0.2565 0.5172 0.5253 0.5305 0.5805 0.6531 0.6874 0.7475 0.7500 0.9105 0.9213 1.6638 1.6777 1.9417 1.9544 2.0944 2.1458 2.2606 2.2710 2.2893 2.3165 2.3756 2.3926 2.5042 2.5077 2.5388 2.5807 2.8486 2.8498 3.2549 3.2628 3.6019 3.6487 4.0264 4.0507 5.1015 5.1209 5.2091 5.2245 6.2152 6.2629 6.3098 6.3290 6.7346 6.8005 7.7670 7.8320 10.0939 10.2062 10.4024 10.4283 10.8079 10.8299 12.5403 12.6735 12.7408 12.8224 k = 0.2639 0.4571 0.2185 ( 5356 PWs) bands (ev): -2.9026 -2.8973 -2.8513 -2.8463 -2.6102 -2.5998 0.2472 0.2564 0.5138 0.5221 0.5283 0.5795 0.6451 0.6798 0.7390 0.7406 0.9129 0.9262 1.6657 1.6753 1.9365 1.9510 2.0936 2.1442 2.2573 2.2763 2.2857 2.3130 2.3765 2.3946 2.4954 2.5052 2.5300 2.5747 2.8676 2.8692 3.2754 3.2878 3.6069 3.6520 4.0498 4.0749 5.0784 5.0981 5.1872 5.2017 6.2742 6.3361 6.3728 6.4070 6.7999 6.8696 7.8066 7.8808 10.0394 10.1599 10.3303 10.3590 10.7892 10.8201 12.5259 12.6555 12.7573 12.8357 k = 0.2569 0.4450 0.2185 ( 5360 PWs) bands (ev): -2.9221 -2.9169 -2.8692 -2.8640 -2.6037 -2.5928 0.2464 0.2562 0.5099 0.5187 0.5259 0.5777 0.6374 0.6725 0.7307 0.7317 0.9140 0.9296 1.6678 1.6728 1.9325 1.9485 2.0923 2.1406 2.2538 2.2816 2.2829 2.3101 2.3771 2.3962 2.4874 2.5033 2.5220 2.5687 2.8814 2.8868 3.3003 3.3171 3.6152 3.6575 4.0634 4.0885 5.0681 5.0887 5.1771 5.1904 6.3324 6.4055 6.4413 6.4879 6.8664 6.9396 7.8445 7.9280 9.9874 10.1150 10.2605 10.2915 10.7721 10.8108 12.5071 12.6317 12.7743 12.8491 k = 0.2500 0.4330 0.2185 ( 5358 PWs) bands (ev): -2.9428 -2.9377 -2.8888 -2.8834 -2.5972 -2.5860 0.2455 0.2557 0.5055 0.5151 0.5235 0.5750 0.6301 0.6658 0.7228 0.7234 0.9137 0.9314 1.6700 1.6703 1.9296 1.9467 2.0905 2.1358 2.2505 2.2809 2.2857 2.3085 2.3776 2.3974 2.4800 2.5019 2.5149 2.5629 2.8907 2.9006 3.3300 3.3504 3.6274 3.6656 4.0664 4.0904 5.0715 5.0938 5.1799 5.1917 6.3897 6.4691 6.5164 6.5710 6.9337 7.0101 7.8795 7.9723 9.9398 10.0731 10.1943 10.2276 10.7564 10.8020 12.4845 12.6034 12.7910 12.8619 k = 0.2431 0.4210 0.2185 ( 5362 PWs) bands (ev): -2.9647 -2.9597 -2.9098 -2.9044 -2.5908 -2.5794 0.2445 0.2550 0.5006 0.5114 0.5208 0.5713 0.6233 0.6597 0.7154 0.7158 0.9119 0.9316 1.6682 1.6721 1.9278 1.9453 2.0884 2.1305 2.2471 2.2796 2.2872 2.3091 2.3780 2.3982 2.4733 2.5008 2.5086 2.5571 2.8949 2.9097 3.3643 3.3873 3.6439 3.6769 4.0594 4.0809 5.0876 5.1122 5.1970 5.2070 6.4461 6.5287 6.5957 6.6556 7.0011 7.0805 7.9105 8.0125 9.8984 10.0355 10.1328 10.1688 10.7419 10.7937 12.4589 12.5718 12.8065 12.8732 k = 0.2361 0.4090 0.2185 ( 5354 PWs) bands (ev): -2.9877 -2.9828 -2.9322 -2.9268 -2.5844 -2.5728 0.2435 0.2540 0.4952 0.5076 0.5179 0.5668 0.6171 0.6543 0.7086 0.7089 0.9085 0.9303 1.6664 1.6739 1.9270 1.9440 2.0860 2.1251 2.2439 2.2789 2.2861 2.3115 2.3782 2.3983 2.4673 2.4998 2.5029 2.5514 2.8937 2.9138 3.4028 3.4270 3.6651 3.6919 4.0444 4.0620 5.1143 5.1410 5.2300 5.2370 6.5013 6.5860 6.6767 6.7412 7.0680 7.1501 7.9366 8.0470 9.8646 10.0029 10.0770 10.1170 10.7285 10.7860 12.4311 12.5379 12.8203 12.8823 k = 0.2292 0.3969 0.2185 ( 5346 PWs) bands (ev): -3.0118 -3.0070 -2.9560 -2.9506 -2.5781 -2.5663 0.2424 0.2528 0.4894 0.5039 0.5146 0.5616 0.6115 0.6497 0.7025 0.7027 0.9036 0.9275 1.6650 1.6751 1.9271 1.9426 2.0835 2.1200 2.2407 2.2788 2.2835 2.3146 2.3783 2.3978 2.4621 2.4976 2.4989 2.5458 2.8871 2.9127 3.4448 3.4683 3.6913 3.7113 4.0248 4.0367 5.1495 5.1776 5.2791 5.2818 6.5551 6.6414 6.7582 6.8272 7.1337 7.2184 7.9570 8.0750 9.8400 9.9749 10.0282 10.0747 10.7163 10.7790 12.4016 12.5025 12.8317 12.8887 k = 0.2222 0.3849 0.2185 ( 5346 PWs) bands (ev): -3.0367 -3.0320 -2.9810 -2.9756 -2.5718 -2.5599 0.2413 0.2512 0.4832 0.5001 0.5108 0.5561 0.6066 0.6460 0.6970 0.6972 0.8971 0.9232 1.6640 1.6756 1.9281 1.9410 2.0810 2.1153 2.2376 2.2791 2.2802 2.3176 2.3783 2.3964 2.4577 2.4927 2.4980 2.5403 2.8756 2.9065 3.4889 3.5093 3.7225 3.7354 4.0046 4.0087 5.1917 5.2209 5.3400 5.3425 6.6075 6.6951 6.8396 6.9130 7.1976 7.2847 7.9713 8.0953 9.8252 9.9503 9.9875 10.0453 10.7052 10.7728 12.3712 12.4663 12.8405 12.8921 k = 0.2153 0.3729 0.2185 ( 5346 PWs) bands (ev): -3.0624 -3.0579 -3.0072 -3.0019 -2.5654 -2.5535 0.2401 0.2494 0.4768 0.4963 0.5063 0.5506 0.6023 0.6429 0.6921 0.6923 0.8890 0.9176 1.6634 1.6752 1.9297 1.9390 2.0785 2.1114 2.2345 2.2766 2.2797 2.3200 2.3781 2.3941 2.4542 2.4880 2.4970 2.5348 2.8596 2.8955 3.5328 3.5469 3.7584 3.7645 3.9822 3.9891 5.2405 5.2709 5.4094 5.4173 6.6581 6.7469 6.9200 6.9980 7.2593 7.3487 7.9794 8.1076 9.8202 9.9278 9.9567 10.0313 10.6953 10.7676 12.3402 12.4299 12.8463 12.8926 k = 0.2083 0.3608 0.2185 ( 5352 PWs) bands (ev): -3.0888 -3.0844 -3.0343 -3.0292 -2.5591 -2.5472 0.2389 0.2472 0.4702 0.4926 0.5010 0.5455 0.5986 0.6405 0.6877 0.6879 0.8794 0.9107 1.6632 1.6737 1.9320 1.9363 2.0764 2.1081 2.2314 2.2729 2.2806 2.3217 2.3778 2.3909 2.4514 2.4834 2.4957 2.5295 2.8399 2.8805 3.5724 3.5770 3.7987 3.7987 3.9629 3.9843 5.2961 5.3279 5.4876 5.5008 6.7069 6.7966 6.9988 7.0814 7.3184 7.4099 7.9814 8.1120 9.8238 9.9086 9.9381 10.0326 10.6867 10.7634 12.3093 12.3935 12.8489 12.8900 k = 0.2014 0.3488 0.2185 ( 5350 PWs) bands (ev): -3.1158 -3.1115 -3.0624 -3.0574 -2.5527 -2.5408 0.2377 0.2448 0.4637 0.4890 0.4949 0.5410 0.5955 0.6386 0.6838 0.6839 0.8684 0.9028 1.6632 1.6710 1.9330 1.9348 2.0745 2.1057 2.2283 2.2692 2.2816 2.3227 2.3772 2.3870 2.4490 2.4789 2.4942 2.5243 2.8173 2.8621 3.5947 3.6020 3.8381 3.8430 3.9574 3.9962 5.3582 5.3917 5.5723 5.5909 6.7536 6.8442 7.0751 7.1622 7.3746 7.4681 7.9781 8.1090 9.8327 9.8952 9.9353 10.0472 10.6797 10.7605 12.2786 12.3577 12.8482 12.8845 k = 0.1944 0.3368 0.2185 ( 5350 PWs) bands (ev): -3.1432 -3.1391 -3.0911 -3.0863 -2.5464 -2.5345 0.2364 0.2422 0.4572 0.4853 0.4881 0.5372 0.5929 0.6372 0.6803 0.6804 0.8560 0.8938 1.6633 1.6670 1.9288 1.9378 2.0732 2.1042 2.2251 2.2656 2.2826 2.3228 2.3764 2.3827 2.4467 2.4746 2.4923 2.5193 2.7928 2.8412 3.5978 3.6158 3.8831 3.8916 3.9716 4.0273 5.4267 5.4619 5.6619 5.6860 6.7981 6.8894 7.1478 7.2389 7.4281 7.5237 7.9706 8.0998 9.8438 9.8894 9.9509 10.0730 10.6746 10.7591 12.2484 12.3226 12.8442 12.8763 k = 0.1875 0.3248 0.2185 ( 5350 PWs) bands (ev): -3.1710 -3.1671 -3.1205 -3.1159 -2.5399 -2.5281 0.2350 0.2394 0.4509 0.4807 0.4818 0.5340 0.5907 0.6362 0.6771 0.6771 0.8424 0.8840 1.6617 1.6633 1.9240 1.9411 2.0724 2.1035 2.2218 2.2620 2.2836 2.3220 2.3751 2.3784 2.4442 2.4706 2.4900 2.5146 2.7673 2.8187 3.5881 3.6127 3.9336 3.9450 4.0069 4.0754 5.5011 5.5381 5.7547 5.7847 6.8402 6.9321 7.2154 7.3098 7.4794 7.5773 7.9605 8.0860 9.8573 9.8926 9.9839 10.1080 10.6718 10.7594 12.2190 12.2883 12.8366 12.8654 k = 0.1806 0.3127 0.2185 ( 5350 PWs) bands (ev): -3.1989 -3.1952 -3.1503 -3.1459 -2.5334 -2.5218 0.2336 0.2363 0.4448 0.4731 0.4782 0.5313 0.5890 0.6356 0.6741 0.6741 0.8276 0.8734 1.6550 1.6630 1.9184 1.9444 2.0721 2.1037 2.2184 2.2584 2.2845 2.3200 2.3734 2.3743 2.4410 2.4672 2.4870 2.5103 2.7416 2.7952 3.5699 3.5970 3.9891 4.0031 4.0593 4.1364 5.5810 5.6199 5.8495 5.8858 6.8799 6.9721 7.2764 7.3727 7.5296 7.6302 7.9497 8.0694 9.8760 9.9051 10.0300 10.1505 10.6716 10.7617 12.1905 12.2550 12.8252 12.8519 k = 0.1736 0.3007 0.2185 ( 5350 PWs) bands (ev): -3.2270 -3.2234 -3.1804 -3.1761 -2.5269 -2.5154 0.2322 0.2331 0.4389 0.4654 0.4747 0.5289 0.5875 0.6352 0.6712 0.6714 0.8119 0.8623 1.6469 1.6623 1.9122 1.9476 2.0724 2.1046 2.2150 2.2550 2.2852 2.3168 2.3707 2.3711 2.4369 2.4644 2.4834 2.5063 2.7165 2.7715 3.5468 3.5742 4.0485 4.0655 4.1239 4.2064 5.6659 5.7066 5.9451 5.9884 6.9170 7.0094 7.3291 7.4256 7.5799 7.6832 7.9406 8.0521 9.9018 9.9272 10.0852 10.1983 10.6749 10.7663 12.1628 12.2227 12.8100 12.8357 k = 0.1667 0.2887 0.2185 ( 5374 PWs) bands (ev): -3.2550 -3.2516 -3.2107 -3.2066 -2.5204 -2.5090 0.2298 0.2307 0.4334 0.4577 0.4712 0.5269 0.5863 0.6350 0.6685 0.6688 0.7955 0.8508 1.6375 1.6608 1.9055 1.9508 2.0732 2.1062 2.2115 2.2518 2.2856 2.3123 2.3677 2.3682 2.4319 2.4623 2.4791 2.5028 2.6926 2.7481 3.5217 3.5482 4.1114 4.1316 4.1970 4.2830 5.7553 5.7977 6.0403 6.0912 6.9515 7.0438 7.3724 7.4675 7.6309 7.7357 7.9365 8.0362 9.9354 9.9583 10.1466 10.2495 10.6825 10.7736 12.1360 12.1912 12.7907 12.8168 k = 0.1597 0.2766 0.2185 ( 5370 PWs) bands (ev): -3.2828 -3.2796 -3.2409 -3.2370 -2.5138 -2.5026 0.2264 0.2292 0.4281 0.4503 0.4676 0.5249 0.5853 0.6349 0.6658 0.6664 0.7786 0.8391 1.6268 1.6582 1.8987 1.9538 2.0746 2.1083 2.2080 2.2486 2.2857 2.3066 2.3645 2.3652 2.4262 2.4608 2.4743 2.4997 2.6706 2.7256 3.4962 3.5213 4.1776 4.2008 4.2756 4.3644 5.8484 5.8927 6.1340 6.1934 6.9834 7.0756 7.4062 7.4990 7.6825 7.7835 7.9428 8.0241 9.9766 9.9976 10.2118 10.3016 10.6956 10.7839 12.1099 12.1603 12.7672 12.7951 k = 0.1528 0.2646 0.2185 ( 5376 PWs) bands (ev): -3.3104 -3.3073 -3.2709 -3.2672 -2.5072 -2.4962 0.2230 0.2276 0.4231 0.4432 0.4639 0.5229 0.5845 0.6349 0.6631 0.6639 0.7614 0.8273 1.6150 1.6543 1.8921 1.9565 2.0764 2.1109 2.2044 2.2455 2.2854 2.3001 2.3599 2.3627 2.4203 2.4598 2.4692 2.4968 2.6509 2.7043 3.4712 3.4948 4.2467 4.2727 4.3580 4.4492 5.9444 5.9908 6.2251 6.2938 7.0129 7.1047 7.4317 7.5223 7.7333 7.8195 7.9669 8.0182 10.0244 10.0441 10.2785 10.3522 10.7153 10.7979 12.0842 12.1298 12.7395 12.7705 k = 0.1458 0.2526 0.2185 ( 5386 PWs) bands (ev): -3.3376 -3.3347 -3.3006 -3.2971 -2.5006 -2.4898 0.2195 0.2259 0.4185 0.4364 0.4600 0.5207 0.5839 0.6350 0.6604 0.6614 0.7443 0.8157 1.6020 1.6489 1.8859 1.9591 2.0786 2.1138 2.2010 2.2426 2.2846 2.2931 2.3546 2.3597 2.4147 2.4591 2.4640 2.4941 2.6336 2.6845 3.4474 3.4694 4.3184 4.3469 4.4427 4.5364 6.0424 6.0912 6.3128 6.3912 7.0401 7.1316 7.4508 7.5401 7.7810 7.8414 8.0103 8.0209 10.0778 10.0962 10.3446 10.3989 10.7428 10.8158 12.0586 12.0991 12.7078 12.7430 k = 0.1389 0.2406 0.2185 ( 5390 PWs) bands (ev): -3.3642 -3.3615 -3.3299 -3.3266 -2.4940 -2.4835 0.2160 0.2241 0.4141 0.4300 0.4559 0.5182 0.5834 0.6350 0.6577 0.6588 0.7277 0.8043 1.5880 1.6416 1.8804 1.9614 2.0811 2.1167 2.1976 2.2396 2.2833 2.2859 2.3486 2.3558 2.4100 2.4587 2.4590 2.4916 2.6188 2.6662 3.4250 3.4455 4.3924 4.4229 4.5286 4.6248 6.1411 6.1932 6.3964 6.4847 7.0654 7.1565 7.4658 7.5552 7.8237 7.8562 8.0347 8.0656 10.1350 10.1523 10.4082 10.4401 10.7782 10.8379 12.0325 12.0676 12.6727 12.7129 k = 0.1319 0.2285 0.2185 ( 5374 PWs) bands (ev): -3.3903 -3.3878 -3.3585 -3.3555 -2.4874 -2.4772 0.2125 0.2223 0.4100 0.4241 0.4516 0.5153 0.5830 0.6349 0.6549 0.6557 0.7123 0.7933 1.5733 1.6324 1.8760 1.9634 2.0839 2.1197 2.1944 2.2365 2.2791 2.2813 2.3423 2.3505 2.4066 2.4544 2.4584 2.4892 2.6063 2.6496 3.4043 3.4233 4.4683 4.5004 4.6149 4.7137 6.2387 6.2954 6.4761 6.5733 7.0894 7.1799 7.4791 7.5697 7.8604 7.8708 8.0601 8.1258 10.1945 10.2105 10.4676 10.4753 10.8204 10.8642 12.0050 12.0340 12.6351 12.6807 k = 0.1250 0.2165 0.2185 ( 5374 PWs) bands (ev): -3.4156 -3.4133 -3.3865 -3.3836 -2.4809 -2.4711 0.2091 0.2203 0.4062 0.4186 0.4471 0.5118 0.5827 0.6347 0.6517 0.6521 0.6987 0.7829 1.5579 1.6212 1.8728 1.9652 2.0869 2.1224 2.1913 2.2333 2.2729 2.2784 2.3359 2.3438 2.4047 2.4503 2.4584 2.4868 2.5959 2.6345 3.3852 3.4028 4.5454 4.5788 4.7006 4.8020 6.3325 6.3963 6.5528 6.6565 7.1126 7.2022 7.4933 7.5852 7.8890 7.8929 8.0954 8.1871 10.2541 10.2684 10.5053 10.5216 10.8666 10.8938 11.9749 11.9971 12.5965 12.6474 k = 0.1181 0.2045 0.2185 ( 5374 PWs) bands (ev): -3.4402 -3.4380 -3.4135 -3.4109 -2.4745 -2.4650 0.2056 0.2182 0.4027 0.4135 0.4422 0.5074 0.5825 0.6342 0.6463 0.6492 0.6880 0.7730 1.5421 1.6082 1.8708 1.9668 2.0900 2.1247 2.1885 2.2297 2.2678 2.2746 2.3300 2.3359 2.4040 2.4468 2.4585 2.4847 2.5872 2.6210 3.3679 3.3842 4.6234 4.6576 4.7847 4.8887 6.4193 6.4938 6.6286 6.7345 7.1361 7.2234 7.5108 7.6021 7.9131 7.9246 8.1372 8.2478 10.3118 10.3240 10.5314 10.5695 10.9138 10.9254 11.9408 11.9549 12.5590 12.6145 k = 0.1111 0.1925 0.2185 ( 5366 PWs) bands (ev): -3.4638 -3.4618 -3.4396 -3.4372 -2.4682 -2.4590 0.2022 0.2160 0.3994 0.4088 0.4371 0.5020 0.5824 0.6332 0.6396 0.6464 0.6805 0.7639 1.5261 1.5936 1.8702 1.9681 2.0931 2.1266 2.1859 2.2260 2.2639 2.2699 2.3248 2.3271 2.4043 2.4439 2.4588 2.4827 2.5799 2.6089 3.3522 3.3672 4.7016 4.7363 4.8666 4.9728 6.4957 6.5851 6.7059 6.8087 7.1614 7.2437 7.5336 7.6205 7.9443 7.9583 8.1824 8.3067 10.3653 10.3748 10.5543 10.6109 10.9572 10.9586 11.9006 11.9054 12.5257 12.5846 k = 0.1042 0.1804 0.2185 ( 5374 PWs) bands (ev): -3.4864 -3.4846 -3.4647 -3.4624 -2.4620 -2.4533 0.1988 0.2137 0.3964 0.4044 0.4317 0.4956 0.5824 0.6293 0.6346 0.6435 0.6761 0.7555 1.5100 1.5776 1.8707 1.9691 2.0962 2.1278 2.1835 2.2221 2.2613 2.2645 2.3178 2.3204 2.4053 2.4415 2.4593 2.4808 2.5738 2.5980 3.3380 3.3520 4.7795 4.8142 4.9453 5.0532 6.5605 6.6667 6.7847 6.8814 7.1901 7.2632 7.5633 7.6403 7.9831 7.9958 8.2289 8.3633 10.4125 10.4188 10.5741 10.6454 10.9875 10.9985 11.8468 11.8526 12.5001 12.5610 k = 0.0972 0.1684 0.2185 ( 5376 PWs) bands (ev): -3.5080 -3.5063 -3.4885 -3.4864 -2.4561 -2.4477 0.1955 0.2113 0.3937 0.4005 0.4261 0.4879 0.5824 0.6219 0.6330 0.6407 0.6736 0.7479 1.4941 1.5607 1.8722 1.9699 2.0992 2.1284 2.1815 2.2184 2.2586 2.2599 2.3082 2.3168 2.4068 2.4396 2.4599 2.4791 2.5685 2.5883 3.3254 3.3382 4.8563 4.8908 5.0199 5.1288 6.6155 6.7364 6.8617 6.9541 7.2249 7.2823 7.6010 7.6617 8.0292 8.0377 8.2754 8.4173 10.4511 10.4542 10.5899 10.6721 11.0158 11.0322 11.7786 11.7960 12.4855 12.5471 k = 0.0903 0.1564 0.2185 ( 5368 PWs) bands (ev): -3.5285 -3.5270 -3.5110 -3.5092 -2.4503 -2.4424 0.1923 0.2087 0.3913 0.3968 0.4204 0.4793 0.5825 0.6148 0.6318 0.6381 0.6725 0.7409 1.4785 1.5432 1.8747 1.9703 2.1020 2.1282 2.1798 2.2150 2.2525 2.2594 2.2987 2.3138 2.4086 2.4381 2.4608 2.4777 2.5639 2.5795 3.3141 3.3259 4.9314 4.9654 5.0899 5.1984 6.6641 6.7942 6.9319 7.0265 7.2677 7.3014 7.6473 7.6860 8.0812 8.0840 8.3213 8.4682 10.4794 10.4796 10.5998 10.6887 11.0433 11.0597 11.7013 11.7313 12.4836 12.5449 k = 0.0833 0.1443 0.2185 ( 5368 PWs) bands (ev): -3.5477 -3.5463 -3.5322 -3.5305 -2.4447 -2.4373 0.1892 0.2060 0.3891 0.3935 0.4146 0.4697 0.5827 0.6088 0.6306 0.6355 0.6722 0.7346 1.4636 1.5254 1.8779 1.9703 2.1046 2.1275 2.1785 2.2122 2.2466 2.2597 2.2892 2.3113 2.4107 2.4369 2.4618 2.4764 2.5599 2.5717 3.3041 3.3150 5.0041 5.0373 5.1544 5.2613 6.7096 6.8422 6.9912 7.0959 7.3186 7.3212 7.7026 7.7153 8.1337 8.1378 8.3662 8.5158 10.4940 10.4962 10.6014 10.6926 11.0725 11.0822 11.6172 11.6607 12.4940 12.5541 k = 0.0764 0.1323 0.2185 ( 5370 PWs) bands (ev): -3.5656 -3.5645 -3.5519 -3.5504 -2.4394 -2.4325 0.1862 0.2031 0.3872 0.3905 0.4088 0.4597 0.5830 0.6039 0.6294 0.6331 0.6724 0.7289 1.4494 1.5077 1.8818 1.9700 2.1070 2.1262 2.1776 2.2100 2.2410 2.2606 2.2800 2.3090 2.4128 2.4360 2.4630 2.4754 2.5562 2.5646 3.2954 3.3053 5.0736 5.1058 5.2132 5.3167 6.7544 6.8834 7.0392 7.1596 7.3416 7.3738 7.7527 7.7669 8.1860 8.1971 8.4099 8.5598 10.4968 10.5008 10.5928 10.6817 11.1016 11.1057 11.5295 11.5877 12.5144 12.5722 k = 0.0694 0.1203 0.2185 ( 5358 PWs) bands (ev): -3.5823 -3.5813 -3.5701 -3.5688 -2.4344 -2.4281 0.1834 0.2002 0.3856 0.3876 0.4032 0.4496 0.5833 0.6000 0.6282 0.6309 0.6730 0.7237 1.4361 1.4905 1.8861 1.9692 2.1091 2.1246 2.1771 2.2084 2.2359 2.2619 2.2713 2.3070 2.4149 2.4354 2.4643 2.4746 2.5528 2.5583 3.2877 3.2967 5.1392 5.1703 5.2659 5.3642 6.8000 6.9200 7.0782 7.2164 7.3622 7.4264 7.8014 7.8393 8.2397 8.2576 8.4521 8.5998 10.4881 10.4935 10.5729 10.6559 11.1179 11.1416 11.4443 11.5182 12.5408 12.5946 k = 0.0625 0.1083 0.2185 ( 5358 PWs) bands (ev): -3.5975 -3.5967 -3.5867 -3.5856 -2.4298 -2.4240 0.1808 0.1972 0.3842 0.3850 0.3979 0.4396 0.5837 0.5971 0.6270 0.6289 0.6739 0.7190 1.4239 1.4738 1.8909 1.9680 2.1108 2.1229 2.1770 2.2073 2.2314 2.2610 2.2653 2.3050 2.4171 2.4349 2.4658 2.4741 2.5496 2.5526 3.2811 3.2892 5.2002 5.2301 5.3124 5.4037 6.8471 6.9537 7.1113 7.2662 7.3825 7.4709 7.8628 7.9175 8.2941 8.3182 8.4928 8.6356 10.4685 10.4755 10.5422 10.6172 11.1255 11.1677 11.3766 11.4623 12.5682 12.6144 k = 0.0556 0.0962 0.2185 ( 5368 PWs) bands (ev): -3.6113 -3.6107 -3.6016 -3.6008 -2.4255 -2.4203 0.1784 0.1941 0.3826 0.3830 0.3930 0.4302 0.5841 0.5949 0.6258 0.6272 0.6751 0.7147 1.4130 1.4580 1.8959 1.9664 2.1123 2.1212 2.1774 2.2065 2.2274 2.2536 2.2665 2.3030 2.4191 2.4346 2.4673 2.4738 2.5466 2.5476 3.2755 3.2826 5.2561 5.2847 5.3530 5.4355 6.8952 6.9853 7.1409 7.3091 7.4025 7.5054 7.9346 7.9983 8.3488 8.3779 8.5315 8.6667 10.4400 10.4486 10.5026 10.5690 11.1120 11.1488 11.3628 11.4354 12.5904 12.6241 k = 0.0486 0.0842 0.2185 ( 5356 PWs) bands (ev): -3.6237 -3.6232 -3.6148 -3.6142 -2.4216 -2.4170 0.1764 0.1909 0.3803 0.3817 0.3887 0.4215 0.5846 0.5932 0.6247 0.6256 0.6764 0.7108 1.4034 1.4434 1.9012 1.9643 2.1133 2.1195 2.1783 2.2061 2.2240 2.2458 2.2686 2.3011 2.4211 2.4343 2.4689 2.4736 2.5432 2.5438 3.2707 3.2770 5.3062 5.3336 5.3880 5.4601 6.9434 7.0151 7.1685 7.3437 7.4239 7.5311 8.0122 8.0778 8.4038 8.4364 8.5680 8.6926 10.4052 10.4153 10.4573 10.5150 11.0695 11.0821 11.4065 11.4467 12.6018 12.6176 k = 0.0417 0.0722 0.2185 ( 5356 PWs) bands (ev): -3.6345 -3.6342 -3.6263 -3.6258 -2.4181 -2.4141 0.1747 0.1879 0.3782 0.3802 0.3856 0.4137 0.5851 0.5919 0.6237 0.6242 0.6779 0.7071 1.3953 1.4299 1.9066 1.9617 2.1141 2.1181 2.1797 2.2059 2.2211 2.2384 2.2709 2.2991 2.4230 2.4341 2.4704 2.4737 2.5395 2.5412 3.2668 3.2721 5.3502 5.3764 5.4178 5.4782 6.9902 7.0430 7.1949 7.3673 7.4494 7.5504 8.0901 8.1520 8.4593 8.4930 8.6017 8.7129 10.3668 10.3784 10.4097 10.4588 11.0010 11.0064 11.4747 11.4887 12.5943 12.5986 k = 0.0347 0.0601 0.2185 ( 5364 PWs) bands (ev): -3.6438 -3.6436 -3.6360 -3.6357 -2.4150 -2.4117 0.1734 0.1849 0.3762 0.3779 0.3841 0.4069 0.5856 0.5910 0.6228 0.6231 0.6796 0.7038 1.3887 1.4179 1.9120 1.9587 2.1146 2.1170 2.1816 2.2058 2.2187 2.2314 2.2734 2.2971 2.4248 2.4338 2.4719 2.4739 2.5363 2.5387 3.2636 3.2681 5.3877 5.4129 5.4429 5.4908 7.0338 7.0689 7.2206 7.3794 7.4787 7.5651 8.1634 8.2175 8.5144 8.5474 8.6326 8.7271 10.3282 10.3409 10.3634 10.4036 10.9205 10.9352 11.5490 11.5527 12.5581 12.5810 k = 0.0278 0.0481 0.2185 ( 5368 PWs) bands (ev): -3.6515 -3.6514 -3.6440 -3.6438 -2.4124 -2.4097 0.1725 0.1821 0.3744 0.3754 0.3837 0.4011 0.5861 0.5902 0.6220 0.6222 0.6814 0.7006 1.3838 1.4073 1.9175 1.9553 2.1148 2.1161 2.1841 2.2057 2.2167 2.2250 2.2759 2.2949 2.4264 2.4335 2.4732 2.4743 2.5339 2.5364 3.2612 3.2647 5.4188 5.4429 5.4636 5.4984 7.0719 7.0922 7.2456 7.3824 7.5086 7.5763 8.2282 8.2718 8.5671 8.5983 8.6604 8.7351 10.2923 10.3057 10.3215 10.3524 10.8469 10.8650 11.6187 11.6339 12.5144 12.5510 k = 0.0208 0.0361 0.2185 ( 5372 PWs) bands (ev): -3.6576 -3.6575 -3.6502 -3.6500 -2.4103 -2.4083 0.1721 0.1795 0.3728 0.3733 0.3839 0.3964 0.5866 0.5896 0.6214 0.6215 0.6833 0.6977 1.3806 1.3983 1.9229 1.9516 2.1149 2.1155 2.1870 2.2053 2.2151 2.2195 2.2784 2.2928 2.4278 2.4331 2.4742 2.4747 2.5321 2.5344 3.2594 3.2621 5.4438 5.4663 5.4800 5.5020 7.1027 7.1121 7.2702 7.3787 7.5357 7.5844 8.2816 8.3139 8.6141 8.6437 8.6853 8.7369 10.2624 10.2755 10.2863 10.3077 10.7848 10.8020 11.6908 11.7122 12.4687 12.5117 k = 0.0139 0.0241 0.2185 ( 5368 PWs) bands (ev): -3.6619 -3.6619 -3.6546 -3.6545 -2.4087 -2.4073 0.1722 0.1772 0.3715 0.3717 0.3846 0.3926 0.5871 0.5890 0.6210 0.6210 0.6853 0.6949 1.3792 1.3910 1.9282 1.9474 2.1149 2.1151 2.1903 2.2041 2.2139 2.2154 2.2809 2.2905 2.4291 2.4326 2.4749 2.4751 2.5309 2.5327 3.2583 3.2601 5.4633 5.4828 5.4920 5.5021 7.1247 7.1277 7.2942 7.3695 7.5580 7.5890 8.3221 8.3431 8.6523 8.6801 8.7062 8.7331 10.2410 10.2526 10.2595 10.2717 10.7382 10.7514 11.7580 11.7797 12.4278 12.4673 k = 0.0069 0.0120 0.2185 ( 5370 PWs) bands (ev): -3.6645 -3.6645 -3.6572 -3.6572 -2.4076 -2.4069 0.1728 0.1753 0.3707 0.3707 0.3858 0.3897 0.5876 0.5885 0.6207 0.6207 0.6875 0.6923 1.3795 1.3854 1.9333 1.9430 2.1148 2.1149 2.1940 2.2015 2.2130 2.2132 2.2834 2.2882 2.4302 2.4319 2.4754 2.4754 2.5305 2.5315 3.2578 3.2587 5.4778 5.4910 5.4991 5.5008 7.1375 7.1379 7.3171 7.3557 7.5745 7.5895 8.3486 8.3589 8.6808 8.7025 8.7203 8.7262 10.2304 10.2386 10.2425 10.2465 10.7102 10.7174 11.8105 11.8248 12.4017 12.4261 k = 0.0000 0.0000 0.2185 ( 5392 PWs) bands (ev): -3.6654 -3.6654 -3.6581 -3.6581 -2.4070 -2.4070 0.1738 0.1738 0.3704 0.3704 0.3874 0.3874 0.5881 0.5881 0.6206 0.6206 0.6898 0.6898 1.3816 1.3816 1.9383 1.9383 2.1148 2.1148 2.1979 2.1979 2.2127 2.2127 2.2858 2.2858 2.4311 2.4311 2.4755 2.4755 2.5307 2.5307 3.2579 3.2579 5.4878 5.4878 5.5013 5.5013 7.1416 7.1416 7.3379 7.3379 7.5849 7.5849 8.3609 8.3609 8.7002 8.7002 8.7247 8.7247 10.2314 10.2314 10.2362 10.2362 10.7031 10.7031 11.8359 11.8359 12.4008 12.4008 k = 0.5000 0.2887 0.2185 ( 5372 PWs) bands (ev): -2.9862 -2.9862 -2.8079 -2.8079 -2.6070 -2.6070 0.2443 0.2443 0.4491 0.4491 0.5157 0.5157 0.6599 0.6599 0.8534 0.8534 0.8969 0.8969 1.5432 1.5432 1.9363 1.9363 2.1572 2.1572 2.2160 2.2160 2.3867 2.3867 2.4252 2.4252 2.5013 2.5013 2.5906 2.5906 2.6926 2.6926 3.0538 3.0538 3.5823 3.5823 4.2756 4.2756 5.1805 5.1805 5.7657 5.7657 6.4378 6.4378 6.5094 6.5094 7.4833 7.4833 7.7445 7.7445 9.4307 9.4307 9.8259 9.8259 10.9743 10.9743 11.9549 11.9549 12.2910 12.2910 k = 0.5000 0.2887 0.2048 ( 5370 PWs) bands (ev): -2.9862 -2.9857 -2.8090 -2.8076 -2.6072 -2.6064 0.2430 0.2469 0.4488 0.4493 0.5117 0.5198 0.6591 0.6606 0.8408 0.8594 0.8901 0.9094 1.5390 1.5489 1.9226 1.9492 2.1474 2.1652 2.2154 2.2172 2.3794 2.3898 2.4213 2.4297 2.4984 2.5055 2.5763 2.6018 2.6891 2.7045 3.0521 3.0565 3.5695 3.5831 4.2755 4.2928 5.1589 5.1647 5.7818 5.7912 6.4036 6.4471 6.5041 6.5371 7.4463 7.5074 7.7123 7.7843 9.4312 9.4337 9.8007 9.8338 10.9620 10.9945 11.8778 12.0001 12.2014 12.3974 k = 0.5000 0.2887 0.1912 ( 5368 PWs) bands (ev): -2.9860 -2.9849 -2.8109 -2.8082 -2.6070 -2.6053 0.2431 0.2508 0.4482 0.4492 0.5079 0.5241 0.6582 0.6613 0.8262 0.8521 0.8955 0.9227 1.5361 1.5559 1.9082 1.9614 2.1359 2.1716 2.2157 2.2189 2.3685 2.3886 2.4199 2.4326 2.4967 2.5110 2.5615 2.6082 2.6956 2.7224 3.0514 3.0603 3.5467 3.5718 4.2923 4.3249 5.1081 5.1175 5.8335 5.8502 6.3654 6.4224 6.5299 6.5665 7.4032 7.5100 7.6969 7.8252 9.4353 9.4400 9.7603 9.8239 10.9582 11.0196 11.7895 11.9599 12.1915 12.4883 k = 0.5000 0.2887 0.1775 ( 5370 PWs) bands (ev): -2.9853 -2.9837 -2.8135 -2.8096 -2.6063 -2.6039 0.2446 0.2561 0.4475 0.4490 0.5045 0.5284 0.6572 0.6619 0.8107 0.8382 0.9067 0.9358 1.5348 1.5642 1.8932 1.9725 2.1227 2.1764 2.2167 2.2211 2.3557 2.3847 2.4202 2.4333 2.4950 2.5157 2.5491 2.6102 2.7113 2.7449 3.0518 3.0653 3.5166 3.5505 4.3233 4.3681 5.0410 5.0525 5.9070 5.9292 6.3278 6.3916 6.5585 6.5929 7.3585 7.4903 7.7002 7.8635 9.4429 9.4487 9.7075 9.7978 10.9612 11.0447 11.6982 11.8633 12.2396 12.5525 k = 0.5000 0.2887 0.1639 ( 5350 PWs) bands (ev): -2.9843 -2.9822 -2.8167 -2.8118 -2.6053 -2.6023 0.2474 0.2625 0.4463 0.4485 0.5016 0.5329 0.6560 0.6624 0.7947 0.8225 0.9189 0.9482 1.5349 1.5737 1.8776 1.9824 2.1082 2.1799 2.2186 2.2236 2.3421 2.3794 2.4205 2.4326 2.4926 2.5139 2.5449 2.6104 2.7333 2.7712 3.0532 3.0715 3.4822 3.5219 4.3642 4.4179 4.9678 4.9818 5.9888 6.0174 6.2950 6.3630 6.5821 6.6140 7.3159 7.4594 7.7132 7.8972 9.4525 9.4580 9.6467 9.7593 10.9663 11.0624 11.6125 11.7641 12.2986 12.6015 k = 0.5000 0.2887 0.1502 ( 5362 PWs) bands (ev): -2.9830 -2.9804 -2.8204 -2.8146 -2.6039 -2.6004 0.2514 0.2701 0.4446 0.4477 0.4994 0.5376 0.6545 0.6628 0.7786 0.8062 0.9311 0.9599 1.5366 1.5844 1.8614 1.9903 2.0934 2.1822 2.2210 2.2263 2.3287 2.3738 2.4189 2.4324 2.4886 2.5041 2.5502 2.6103 2.7592 2.8002 3.0559 3.0790 3.4459 3.4890 4.4088 4.4676 4.8964 4.9160 6.0604 6.1056 6.2758 6.3444 6.5973 6.6273 7.2793 7.4283 7.7270 7.9250 9.4590 9.4625 9.5866 9.7156 10.9659 11.0623 11.5438 11.6807 12.3575 12.6512 k = 0.5000 0.2887 0.1366 ( 5358 PWs) bands (ev): -2.9814 -2.9784 -2.8245 -2.8180 -2.6022 -2.5985 0.2566 0.2786 0.4422 0.4466 0.4981 0.5424 0.6526 0.6631 0.7625 0.7897 0.9429 0.9706 1.5397 1.5962 1.8449 1.9950 2.0797 2.1833 2.2238 2.2293 2.3162 2.3683 2.4146 2.4333 2.4817 2.4938 2.5585 2.6107 2.7874 2.8313 3.0600 3.0880 3.4094 3.4539 4.4477 4.5069 4.8361 4.8677 6.0924 6.1763 6.2878 6.3581 6.6026 6.6308 7.2519 7.4038 7.7375 7.9459 9.4387 9.4521 9.5544 9.6792 10.9502 11.0346 11.5023 11.6242 12.4132 12.7077 k = 0.5000 0.2887 0.1229 ( 5362 PWs) bands (ev): -2.9795 -2.9762 -2.8288 -2.8219 -2.6004 -2.5965 0.2628 0.2880 0.4390 0.4452 0.4979 0.5475 0.6499 0.6632 0.7470 0.7733 0.9541 0.9803 1.5442 1.6088 1.8282 1.9938 2.0699 2.1833 2.2266 2.2329 2.3049 2.3635 2.4082 2.4349 2.4708 2.4869 2.5673 2.6115 2.8167 2.8634 3.0658 3.0986 3.3741 3.4184 4.4660 4.5195 4.8026 4.8528 6.0803 6.1917 6.3479 6.4213 6.5986 6.6233 7.2363 7.3898 7.7428 7.9597 9.3746 9.4190 9.5650 9.6650 10.9111 10.9790 11.4903 11.6009 12.4638 12.7689 k = 0.5000 0.2887 0.1092 ( 5364 PWs) bands (ev): -2.9773 -2.9738 -2.8332 -2.8262 -2.5985 -2.5946 0.2700 0.2979 0.4348 0.4434 0.4989 0.5528 0.6463 0.6631 0.7324 0.7573 0.9647 0.9889 1.5502 1.6222 1.8115 1.9846 2.0667 2.1820 2.2293 2.2372 2.2952 2.3593 2.4003 2.4361 2.4590 2.4818 2.5757 2.6127 2.8463 2.8954 3.0738 3.1108 3.3409 3.3837 4.4515 4.4960 4.8105 4.8784 6.0481 6.1709 6.4265 6.5068 6.5940 6.6069 7.2331 7.3879 7.7423 7.9659 9.2956 9.3606 9.5945 9.6757 10.8479 10.9046 11.5019 11.6069 12.5071 12.8253 k = 0.5000 0.2887 0.0956 ( 5364 PWs) bands (ev): -2.9750 -2.9714 -2.8376 -2.8306 -2.5965 -2.5928 0.2781 0.3082 0.4300 0.4412 0.5011 0.5584 0.6413 0.6626 0.7194 0.7420 0.9745 0.9965 1.5575 1.6360 1.7954 1.9685 2.0692 2.1793 2.2320 2.2420 2.2874 2.3562 2.3910 2.4351 2.4495 2.4776 2.5833 2.6139 2.8752 2.9257 3.0845 3.1244 3.3106 3.3508 4.4110 4.4475 4.8536 4.9324 6.0081 6.1385 6.4722 6.5650 6.6005 6.6335 7.2408 7.3977 7.7357 7.9646 9.2135 9.2877 9.6329 9.7033 10.7677 10.8205 11.5299 11.6314 12.5410 12.8482 k = 0.5000 0.2887 0.0819 ( 5360 PWs) bands (ev): -2.9726 -2.9690 -2.8418 -2.8350 -2.5946 -2.5911 0.2868 0.3185 0.4246 0.4385 0.5046 0.5641 0.6346 0.6616 0.7086 0.7276 0.9835 1.0029 1.5661 1.6494 1.7806 1.9481 2.0752 2.1751 2.2348 2.2470 2.2816 2.3540 2.3808 2.4281 2.4467 2.4739 2.5902 2.6151 2.9026 2.9529 3.0984 3.1389 3.2839 3.3203 4.3591 4.3895 4.9159 5.0004 5.9645 6.0997 6.4643 6.5383 6.6752 6.7178 7.2572 7.4177 7.7235 7.9557 9.1332 9.2094 9.6772 9.7410 10.6797 10.7321 11.5680 11.6643 12.5645 12.8212 k = 0.5000 0.2887 0.0683 ( 5356 PWs) bands (ev): -2.9702 -2.9668 -2.8455 -2.8393 -2.5928 -2.5897 0.2960 0.3281 0.4191 0.4353 0.5093 0.5696 0.6265 0.6597 0.7002 0.7146 0.9916 1.0081 1.5760 1.6611 1.7685 1.9254 2.0829 2.1695 2.2376 2.2517 2.2782 2.3524 2.3704 2.4180 2.4476 2.4706 2.5962 2.6161 2.9279 2.9754 3.1156 3.1531 3.2618 3.2929 4.3056 4.3312 4.9865 5.0734 5.9192 6.0551 6.4382 6.5028 6.7600 6.8057 7.2797 7.4449 7.7070 7.9393 9.0584 9.1316 9.7263 9.7849 10.5908 10.6428 11.6108 11.6988 12.5787 12.7781 k = 0.5000 0.2887 0.0546 ( 5358 PWs) bands (ev): -2.9679 -2.9648 -2.8487 -2.8433 -2.5911 -2.5886 0.3054 0.3365 0.4140 0.4316 0.5153 0.5739 0.6184 0.6565 0.6943 0.7036 0.9986 1.0121 1.5871 1.6687 1.7618 1.9017 2.0915 2.1627 2.2404 2.2548 2.2783 2.3493 2.3623 2.4077 2.4495 2.4678 2.6014 2.6167 2.9505 2.9926 3.1348 3.1649 3.2458 3.2694 4.2563 4.2773 5.0596 5.1454 5.8746 6.0050 6.4117 6.4677 6.8404 6.8853 7.3070 7.4750 7.6891 7.9153 8.9926 9.0584 9.7787 9.8326 10.5052 10.5557 11.6541 11.7302 12.5866 12.7355 k = 0.5000 0.2887 0.0410 ( 5350 PWs) bands (ev): -2.9658 -2.9633 -2.8512 -2.8469 -2.5897 -2.5878 0.3149 0.3426 0.4103 0.4273 0.5225 0.5747 0.6132 0.6513 0.6903 0.6955 1.0046 1.0149 1.5991 1.6694 1.7634 1.8777 2.1006 2.1550 2.2431 2.2555 2.2823 2.3410 2.3607 2.3979 2.4516 2.4652 2.6058 2.6169 2.9702 3.0042 3.1531 3.1717 3.2372 3.2509 4.2147 4.2311 5.1310 5.2104 5.8341 5.9506 6.3907 6.4359 6.9108 6.9510 7.3386 7.4999 7.6769 7.8839 8.9394 8.9937 9.8327 9.8809 10.4271 10.4738 11.6943 11.7552 12.5918 12.6974 k = 0.5000 0.2887 0.0273 ( 5350 PWs) bands (ev): -2.9640 -2.9622 -2.8529 -2.8499 -2.5886 -2.5872 0.3241 0.3454 0.4088 0.4227 0.5309 0.5699 0.6138 0.6441 0.6878 0.6902 1.0094 1.0164 1.6120 1.6629 1.7735 1.8540 2.1099 2.1466 2.2458 2.2545 2.2893 2.3301 2.3632 2.3889 2.4538 2.4627 2.6094 2.6167 2.9866 3.0107 3.1667 3.1733 3.2349 3.2397 4.1836 4.1950 5.1962 5.2608 5.8042 5.8952 6.3777 6.4094 6.9672 6.9981 7.3743 7.5058 7.6832 7.8456 8.9020 8.9409 9.8852 9.9247 10.3619 10.4008 11.7287 11.7712 12.5976 12.6653 k = 0.5000 0.2887 0.0137 ( 5354 PWs) bands (ev): -2.9627 -2.9618 -2.8536 -2.8520 -2.5878 -2.5871 0.3325 0.3442 0.4100 0.4179 0.5403 0.5610 0.6192 0.6357 0.6865 0.6874 1.0131 1.0166 1.6254 1.6520 1.7896 1.8309 2.1192 2.1377 2.2483 2.2527 2.2981 2.3189 2.3677 2.3807 2.4560 2.4604 2.6122 2.6158 2.9994 3.0119 3.1726 3.1732 3.2343 3.2368 4.1652 4.1711 5.2494 5.2870 5.7936 5.8449 6.3732 6.3896 7.0065 7.0234 7.4134 7.4871 7.7129 7.8019 8.8829 8.9033 9.9302 9.9542 10.3196 10.3434 11.7550 11.7768 12.6065 12.6395 k = 0.5000 0.2887-0.0000 ( 5350 PWs) bands (ev): -2.9619 -2.9619 -2.8533 -2.8533 -2.5873 -2.5873 0.3395 0.3395 0.4133 0.4133 0.5506 0.5506 0.6271 0.6271 0.6864 0.6864 1.0154 1.0154 1.6390 1.6390 1.8092 1.8092 2.1286 2.1286 2.2506 2.2506 2.3081 2.3081 2.3736 2.3736 2.4582 2.4582 2.6144 2.6144 3.0081 3.0081 3.1734 3.1734 3.2356 3.2356 4.1609 4.1609 5.2825 5.2825 5.8080 5.8080 6.3773 6.3773 7.0259 7.0259 7.4530 7.4530 7.7557 7.7557 8.8834 8.8834 9.9569 9.9569 10.3126 10.3126 11.7714 11.7714 12.6201 12.6201 k = 0.3333 0.5774-0.0000 ( 5340 PWs) bands (ev): -2.8132 -2.8132 -2.7056 -2.7056 -2.7031 -2.6916 0.3224 0.3576 0.3576 0.4267 0.5980 0.5980 0.6774 0.7308 0.8301 0.8301 0.8821 0.8821 1.6540 1.7514 1.8808 1.8808 2.1532 2.1532 2.2627 2.2627 2.3355 2.3659 2.3659 2.3763 2.5649 2.5649 2.6759 2.6927 2.7242 2.7242 3.5094 3.5295 3.5296 3.5783 3.5872 3.5872 4.6142 4.6142 5.3874 5.4253 5.4253 5.4834 6.9766 6.9766 7.4570 7.4570 7.6418 7.7239 9.3088 9.3088 9.9020 10.0773 10.1839 10.1839 13.4971 13.6026 13.7178 13.7178 k = 0.3333 0.5774 0.0137 ( 5346 PWs) bands (ev): -2.8134 -2.8128 -2.7109 -2.7050 -2.7005 -2.6898 0.3213 0.3458 0.3698 0.4280 0.5961 0.5997 0.6775 0.7313 0.8260 0.8337 0.8801 0.8838 1.6533 1.7534 1.8676 1.8935 2.1514 2.1547 2.2572 2.2690 2.3351 2.3604 2.3716 2.3761 2.5601 2.5689 2.6754 2.6929 2.7159 2.7307 3.4926 3.5103 3.5392 3.5774 3.5947 3.6068 4.6155 4.6232 5.3691 5.3757 5.4803 5.5072 6.9583 6.9756 7.3629 7.5414 7.5694 7.7854 9.3095 9.3315 9.8764 10.1146 10.1178 10.2609 13.4871 13.5919 13.6882 13.7292 k = 0.3333 0.5774 0.0273 ( 5322 PWs) bands (ev): -2.8132 -2.8122 -2.7161 -2.7090 -2.6955 -2.6862 0.3182 0.3344 0.3824 0.4317 0.5939 0.6011 0.6776 0.7326 0.8214 0.8368 0.8777 0.8850 1.6513 1.7593 1.8540 1.9058 2.1492 2.1557 2.2527 2.2759 2.3342 2.3553 2.3757 2.3770 2.5548 2.5721 2.6742 2.6936 2.7063 2.7350 3.4608 3.4843 3.5430 3.5750 3.6252 3.6321 4.6270 4.6423 5.3322 5.3370 5.5400 5.5559 6.9218 6.9553 7.2610 7.4599 7.6139 7.8617 9.3336 9.3765 9.8329 10.0649 10.1939 10.3464 13.4575 13.5607 13.6422 13.7206 k = 0.3333 0.5774 0.0410 ( 5316 PWs) bands (ev): -2.8129 -2.8112 -2.7214 -2.7137 -2.6907 -2.6822 0.3135 0.3236 0.3952 0.4374 0.5915 0.6020 0.6779 0.7348 0.8162 0.8395 0.8748 0.8859 1.6485 1.7686 1.8401 1.9176 2.1467 2.1563 2.2493 2.2831 2.3327 2.3511 2.3750 2.3817 2.5493 2.5742 2.6724 2.6945 2.6964 2.7367 3.4265 3.4558 3.5449 3.5761 3.6573 3.6587 4.6483 4.6711 5.2955 5.3069 5.6036 5.6136 6.8692 6.9172 7.1532 7.3420 7.6725 7.9228 9.3795 9.4418 9.7990 10.0274 10.2882 10.4381 13.4099 13.5109 13.5817 13.6909 k = 0.3333 0.5774 0.0546 ( 5316 PWs) bands (ev): -2.8122 -2.8100 -2.7268 -2.7186 -2.6860 -2.6782 0.3077 0.3134 0.4082 0.4445 0.5889 0.6026 0.6783 0.7378 0.8106 0.8418 0.8716 0.8863 1.6456 1.7806 1.8258 1.9290 2.1437 2.1563 2.2470 2.2901 2.3305 2.3482 2.3739 2.3855 2.5435 2.5752 2.6703 2.6868 2.6952 2.7356 3.3924 3.4269 3.5469 3.5793 3.6842 3.6877 4.6791 4.7092 5.2665 5.2832 5.6704 5.6763 6.8031 6.8634 7.0409 7.2195 7.7154 7.9640 9.4448 9.5246 9.7840 10.0072 10.3888 10.5339 13.3469 13.4456 13.5087 13.6390 k = 0.3333 0.5774 0.0683 ( 5328 PWs) bands (ev): -2.8113 -2.8086 -2.7321 -2.7238 -2.6815 -2.6743 0.3013 0.3039 0.4214 0.4526 0.5861 0.6027 0.6791 0.7415 0.8045 0.8436 0.8681 0.8865 1.6429 1.7949 1.8114 1.9399 2.1403 2.1555 2.2458 2.2964 2.3278 2.3471 2.3727 2.3877 2.5380 2.5751 2.6679 2.6784 2.6956 2.7318 3.3598 3.3986 3.5498 3.5840 3.7073 3.7151 4.7188 4.7559 5.2460 5.2675 5.7398 5.7424 6.7262 6.7967 6.9257 7.0944 7.7418 7.9831 9.5266 9.6220 9.7911 10.0052 10.4914 10.6316 13.2714 13.3682 13.4252 13.5647 k = 0.3333 0.5774 0.0819 ( 5334 PWs) bands (ev): -2.8101 -2.8069 -2.7373 -2.7289 -2.6773 -2.6707 0.2947 0.2951 0.4346 0.4612 0.5831 0.6023 0.6802 0.7458 0.7979 0.8452 0.8641 0.8862 1.6407 1.7970 1.8111 1.9506 2.1364 2.1539 2.2454 2.3016 2.3246 2.3480 2.3711 2.3882 2.5328 2.5743 2.6654 2.6717 2.6955 2.7253 3.3294 3.3713 3.5542 3.5902 3.7270 3.7383 4.7666 4.8106 5.2345 5.2608 5.8108 5.8109 6.6412 6.7201 6.8086 6.9679 7.7516 7.9802 9.6217 9.7313 9.8207 10.0216 10.5929 10.7290 13.1865 13.2823 13.3332 13.4700 k = 0.3333 0.5774 0.0956 ( 5343 PWs) bands (ev): -2.8087 -2.8049 -2.7425 -2.7341 -2.6734 -2.6673 0.2870 0.2881 0.4477 0.4702 0.5799 0.6014 0.6818 0.7507 0.7909 0.8465 0.8598 0.8857 1.6393 1.7825 1.8290 1.9608 2.1319 2.1511 2.2460 2.3056 2.3209 2.3509 2.3694 2.3865 2.5284 2.5736 2.6627 2.6669 2.6949 2.7165 3.3015 3.3454 3.5604 3.5978 3.7428 3.7568 4.8220 4.8725 5.2326 5.2637 5.8804 5.8827 6.5504 6.6362 6.6906 6.8411 7.7461 7.9574 9.7270 9.8501 9.8707 10.0553 10.6904 10.8238 13.0953 13.1917 13.2358 13.3595 k = 0.3333 0.5774 0.1092 ( 5340 PWs) bands (ev): -2.8070 -2.8027 -2.7476 -2.7392 -2.6697 -2.6642 0.2797 0.2817 0.4606 0.4792 0.5766 0.5998 0.6838 0.7560 0.7836 0.8475 0.8551 0.8850 1.6389 1.7682 1.8483 1.9708 2.1268 2.1469 2.2472 2.3087 2.3167 2.3550 2.3674 2.3829 2.5251 2.5737 2.6598 2.6638 2.6935 2.7056 3.2766 3.3211 3.5684 3.6069 3.7540 3.7701 4.8842 4.9410 5.2405 5.2765 5.9504 5.9540 6.4557 6.5478 6.5728 6.7151 7.7274 7.9184 9.8394 9.9369 9.9759 10.1044 10.7806 10.9131 13.0007 13.1007 13.1361 13.2393 k = 0.3333 0.5774 0.1229 ( 5346 PWs) bands (ev): -2.8051 -2.8003 -2.7526 -2.7443 -2.6664 -2.6615 0.2732 0.2757 0.4733 0.4882 0.5730 0.5976 0.6864 0.7617 0.7760 0.8484 0.8501 0.8841 1.6394 1.7542 1.8688 1.9805 2.1212 2.1408 2.2490 2.3115 2.3121 2.3594 2.3653 2.3777 2.5234 2.5752 2.6568 2.6622 2.6915 2.6931 3.2549 3.2985 3.5783 3.6175 3.7605 3.7781 4.9523 5.0154 5.2583 5.2993 6.0193 6.0228 6.3589 6.4560 6.4576 6.5908 7.6984 7.8676 9.9555 10.0146 10.1067 10.1666 10.8600 10.9937 12.9056 13.0140 13.0385 13.1152 k = 0.3333 0.5774 0.1366 ( 5337 PWs) bands (ev): -2.8029 -2.7976 -2.7575 -2.7493 -2.6633 -2.6592 0.2676 0.2703 0.4856 0.4969 0.5693 0.5948 0.6897 0.7677 0.7682 0.8448 0.8491 0.8830 1.6410 1.7406 1.8904 1.9899 2.1151 2.1325 2.2514 2.3072 2.3144 2.3631 2.3632 2.3718 2.5237 2.5783 2.6534 2.6615 2.6792 2.6888 3.2368 3.2779 3.5899 3.6295 3.7625 3.7810 5.0257 5.0948 5.2853 5.3314 6.0852 6.0853 6.2615 6.3413 6.3700 6.4697 7.6626 7.8091 10.0709 10.0986 10.2402 10.2405 10.9246 11.0615 12.8126 12.9372 12.9478 12.9921 k = 0.3333 0.5774 0.1502 ( 5331 PWs) bands (ev): -2.8005 -2.7947 -2.7622 -2.7542 -2.6607 -2.6572 0.2628 0.2655 0.4973 0.5053 0.5653 0.5913 0.6935 0.7603 0.7740 0.8391 0.8497 0.8819 1.6437 1.7276 1.9129 1.9989 2.1087 2.1217 2.2542 2.3020 2.3177 2.3608 2.3656 2.3658 2.5263 2.5830 2.6496 2.6616 2.6645 2.6855 3.2222 3.2594 3.6030 3.6429 3.7603 3.7791 5.1035 5.1784 5.3206 5.3718 6.1293 6.1434 6.1649 6.2299 6.2972 6.3559 7.6237 7.7474 10.1793 10.1837 10.3248 10.3753 10.9699 11.1118 12.7248 12.8694 12.8741 12.8758 k = 0.3333 0.5774 0.1639 ( 5346 PWs) bands (ev): -2.7978 -2.7915 -2.7667 -2.7590 -2.6585 -2.6556 0.2590 0.2613 0.5083 0.5133 0.5611 0.5872 0.6980 0.7523 0.7806 0.8332 0.8502 0.8809 1.6474 1.7151 1.9361 2.0074 2.1021 2.1080 2.2576 2.2967 2.3214 2.3585 2.3606 2.3666 2.5311 2.5890 2.6452 2.6495 2.6623 2.6820 3.2113 3.2431 3.6170 3.6575 3.7545 3.7731 5.1843 5.2651 5.3626 5.4191 6.0707 6.1170 6.1236 6.1679 6.2748 6.2764 7.5858 7.6863 10.2645 10.2731 10.4210 10.5089 10.9919 11.1398 12.6460 12.7656 12.8089 12.8346 k = 0.3333 0.5774 0.1775 ( 5328 PWs) bands (ev): -2.7950 -2.7881 -2.7709 -2.7637 -2.6566 -2.6545 0.2561 0.2580 0.5184 0.5209 0.5565 0.5826 0.7031 0.7444 0.7872 0.8270 0.8506 0.8800 1.6523 1.7034 1.9597 2.0152 2.0918 2.0957 2.2613 2.2912 2.3252 2.3564 2.3566 2.3661 2.5379 2.5961 2.6348 2.6400 2.6634 2.6783 3.2040 3.2291 3.6315 3.6730 3.7460 3.7637 5.2666 5.3529 5.4080 5.4703 5.9812 6.0250 6.0529 6.0987 6.2861 6.3031 7.5530 7.6298 10.3358 10.3476 10.5262 10.6387 10.9881 11.1415 12.5807 12.6709 12.7710 12.8167 k = 0.3333 0.5774 0.1912 ( 5313 PWs) bands (ev): -2.7922 -2.7845 -2.7749 -2.7682 -2.6552 -2.6537 0.2541 0.2554 0.5269 0.5280 0.5516 0.5781 0.7089 0.7366 0.7939 0.8207 0.8509 0.8792 1.6583 1.6925 1.9835 2.0218 2.0731 2.0901 2.2656 2.2857 2.3288 2.3540 2.3546 2.3648 2.5459 2.6038 2.6212 2.6340 2.6649 2.6749 3.2003 3.2176 3.6452 3.6892 3.7363 3.7515 5.3469 5.4382 5.4506 5.5202 5.9019 5.9382 5.9821 6.0074 6.3204 6.3334 7.5296 7.5817 10.3922 10.4018 10.6334 10.7615 10.9579 11.1149 12.5339 12.5943 12.7581 12.8229 k = 0.3333 0.5774 0.2048 ( 5310 PWs) bands (ev): -2.7895 -2.7807 -2.7781 -2.7726 -2.6542 -2.6534 0.2531 0.2538 0.5332 0.5346 0.5464 0.5743 0.7151 0.7291 0.8007 0.8141 0.8511 0.8788 1.6653 1.6825 2.0072 2.0263 2.0524 2.0861 2.2702 2.2803 2.3315 2.3527 2.3533 2.3634 2.5532 2.6106 2.6117 2.6271 2.6668 2.6717 3.1999 3.2088 3.6562 3.7056 3.7276 3.7373 5.4186 5.4771 5.5126 5.5568 5.8460 5.8702 5.9249 5.9337 6.3461 6.3531 7.5193 7.5456 10.4293 10.4344 10.7358 10.8724 10.9030 11.0623 12.5097 12.5401 12.7679 12.8518 k = 0.3333 0.5774 0.2185 ( 5310 PWs) bands (ev): -2.7882 -2.7797 -2.7767 -2.7767 -2.6536 -2.6536 0.2530 0.2530 0.5355 0.5407 0.5407 0.5727 0.7219 0.7219 0.8075 0.8075 0.8511 0.8786 1.6734 1.6734 2.0280 2.0303 2.0303 2.0845 2.2751 2.2751 2.3325 2.3525 2.3526 2.3627 2.5565 2.6062 2.6196 2.6196 2.6690 2.6690 3.2028 3.2028 3.6608 3.7218 3.7218 3.7238 5.4662 5.4691 5.5581 5.5581 5.8315 5.8365 5.9024 5.9024 6.3576 6.3576 7.5244 7.5244 10.4438 10.4438 10.8274 10.8274 10.9448 11.0094 12.5115 12.5115 12.7837 12.8389 Writing output data file HgTe.save init_run : 0.79s CPU 0.93s WALL ( 1 calls) electrons : 659.70s CPU 663.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.05s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 659.70s CPU 663.84s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.41s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 285 calls) cegterg : 635.55s CPU 639.43s WALL ( 746 calls) Called by sum_band: Called by *egterg: h_psi : 369.25s CPU 377.30s WALL ( 13423 calls) s_psi : 36.15s CPU 36.29s WALL ( 13423 calls) g_psi : 1.04s CPU 1.10s WALL ( 12392 calls) cdiaghg : 163.06s CPU 159.43s WALL ( 12677 calls) cegterg:over : 40.95s CPU 37.23s WALL ( 12392 calls) cegterg:upda : 7.88s CPU 11.42s WALL ( 12392 calls) cegterg:last : 7.99s CPU 9.05s WALL ( 2657 calls) Called by h_psi: h_psi:vloc : 328.55s CPU 332.55s WALL ( 13423 calls) h_psi:vnl : 40.54s CPU 44.18s WALL ( 13423 calls) add_vuspsi : 20.03s CPU 23.79s WALL ( 13423 calls) General routines calbec : 20.49s CPU 20.35s WALL ( 13423 calls) fft : 0.03s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 324.42s CPU 315.43s WALL ( 1996364 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.13s WALL ( 570 calls) Parallel routines fft_scatter : 304.56s CPU 210.35s WALL ( 1996387 calls) PWSCF : 11m26.41s CPU 11m39.00s WALL This run was terminated on: 14:25:21 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=