Program PWSCF v.5.1.1 starts on 27Jul2015 at 14:38:46 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: ./HgSe.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 59 24 7 4721 1242 195 Max 60 25 8 4738 1269 201 Sum 1915 793 235 151313 40157 6335 bravais-lattice index = 14 lattice parameter (alat) = 8.1636 a.u. unit-cell volume = 1055.7716 (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)= 8.163616 celldm(2)= 1.000000 celldm(3)= 2.240741 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 2.240741 ) 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 0.446281 ) 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 Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Se 6.00 78.96000 Se( 1.00) 6 Sym. Ops. (no inversion) found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.7469136 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7469136 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7469136 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7469136 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_3 (32) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 3C2' 2 5 -6 2C3 3 4 3C2' 6 -5 -2 -E -1 -2C3 -3 -4 Cartesian axes number of k points= 292 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0034247 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0034247 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0034247 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0034247 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0034247 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0034247 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0034247 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0034247 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0034247 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0034247 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0034247 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0034247 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0034247 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0034247 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0034247 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0034247 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0034247 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0034247 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0034247 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0034247 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0034247 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0034247 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0034247 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0034247 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0034247 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0034247 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0034247 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0034247 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0034247 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0034247 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0034247 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0034247 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0034247 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0034247 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0034247 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0034247 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0034247 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0034247 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0034247 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0034247 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0034247 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034247 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034247 k( 45) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0034247 k( 46) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0034247 k( 47) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0034247 k( 48) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0034247 k( 49) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0034247 k( 50) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0034247 k( 51) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0034247 k( 52) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0034247 k( 53) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0034247 k( 54) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0034247 k( 55) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0034247 k( 56) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0034247 k( 57) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0034247 k( 58) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0034247 k( 59) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0034247 k( 60) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0034247 k( 61) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0034247 k( 62) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0034247 k( 63) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0034247 k( 64) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0034247 k( 65) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0034247 k( 66) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0034247 k( 67) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0034247 k( 68) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0034247 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034247 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034247 k( 71) = ( 0.3265306 0.5655676 -0.0000000), wk = 0.0034247 k( 72) = ( 0.3197279 0.5537850 -0.0000000), wk = 0.0034247 k( 73) = ( 0.3129252 0.5420023 -0.0000000), wk = 0.0034247 k( 74) = ( 0.3061224 0.5302196 -0.0000000), wk = 0.0034247 k( 75) = ( 0.2993197 0.5184370 -0.0000000), wk = 0.0034247 k( 76) = ( 0.2925170 0.5066543 -0.0000000), wk = 0.0034247 k( 77) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0034247 k( 78) = ( 0.2789116 0.4830890 -0.0000000), wk = 0.0034247 k( 79) = ( 0.2721088 0.4713063 -0.0000000), wk = 0.0034247 k( 80) = ( 0.2653061 0.4595237 -0.0000000), wk = 0.0034247 k( 81) = ( 0.2585034 0.4477410 -0.0000000), wk = 0.0034247 k( 82) = ( 0.2517007 0.4359584 -0.0000000), wk = 0.0034247 k( 83) = ( 0.2448980 0.4241757 -0.0000000), wk = 0.0034247 k( 84) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0034247 k( 85) = ( 0.2312925 0.4006104 -0.0000000), wk = 0.0034247 k( 86) = ( 0.2244898 0.3888277 -0.0000000), wk = 0.0034247 k( 87) = ( 0.2176871 0.3770451 -0.0000000), wk = 0.0034247 k( 88) = ( 0.2108843 0.3652624 -0.0000000), wk = 0.0034247 k( 89) = ( 0.2040816 0.3534798 -0.0000000), wk = 0.0034247 k( 90) = ( 0.1972789 0.3416971 -0.0000000), wk = 0.0034247 k( 91) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0034247 k( 92) = ( 0.1836735 0.3181318 -0.0000000), wk = 0.0034247 k( 93) = ( 0.1768707 0.3063491 -0.0000000), wk = 0.0034247 k( 94) = ( 0.1700680 0.2945665 -0.0000000), wk = 0.0034247 k( 95) = ( 0.1632653 0.2827838 -0.0000000), wk = 0.0034247 k( 96) = ( 0.1564626 0.2710012 -0.0000000), wk = 0.0034247 k( 97) = ( 0.1496599 0.2592185 -0.0000000), wk = 0.0034247 k( 98) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0034247 k( 99) = ( 0.1360544 0.2356532 -0.0000000), wk = 0.0034247 k( 100) = ( 0.1292517 0.2238705 -0.0000000), wk = 0.0034247 k( 101) = ( 0.1224490 0.2120879 -0.0000000), wk = 0.0034247 k( 102) = ( 0.1156463 0.2003052 -0.0000000), wk = 0.0034247 k( 103) = ( 0.1088435 0.1885225 -0.0000000), wk = 0.0034247 k( 104) = ( 0.1020408 0.1767399 -0.0000000), wk = 0.0034247 k( 105) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0034247 k( 106) = ( 0.0884354 0.1531746 -0.0000000), wk = 0.0034247 k( 107) = ( 0.0816327 0.1413919 -0.0000000), wk = 0.0034247 k( 108) = ( 0.0748299 0.1296092 -0.0000000), wk = 0.0034247 k( 109) = ( 0.0680272 0.1178266 -0.0000000), wk = 0.0034247 k( 110) = ( 0.0612245 0.1060439 -0.0000000), wk = 0.0034247 k( 111) = ( 0.0544218 0.0942613 -0.0000000), wk = 0.0034247 k( 112) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0034247 k( 113) = ( 0.0408163 0.0706960 -0.0000000), wk = 0.0034247 k( 114) = ( 0.0340136 0.0589133 -0.0000000), wk = 0.0034247 k( 115) = ( 0.0272109 0.0471306 -0.0000000), wk = 0.0034247 k( 116) = ( 0.0204082 0.0353480 -0.0000000), wk = 0.0034247 k( 117) = ( 0.0136054 0.0235653 -0.0000000), wk = 0.0034247 k( 118) = ( 0.0068027 0.0117827 -0.0000000), wk = 0.0034247 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 121) = ( 0.0000000 0.0000000 0.0131259), wk = 0.0034247 k( 122) = ( 0.0000000 0.0000000 0.0262518), wk = 0.0034247 k( 123) = ( 0.0000000 0.0000000 0.0393777), wk = 0.0034247 k( 124) = ( 0.0000000 0.0000000 0.0525036), wk = 0.0034247 k( 125) = ( 0.0000000 0.0000000 0.0656296), wk = 0.0034247 k( 126) = ( 0.0000000 0.0000000 0.0787555), wk = 0.0034247 k( 127) = ( 0.0000000 0.0000000 0.0918814), wk = 0.0034247 k( 128) = ( 0.0000000 0.0000000 0.1050073), wk = 0.0034247 k( 129) = ( 0.0000000 0.0000000 0.1181332), wk = 0.0034247 k( 130) = ( 0.0000000 0.0000000 0.1312591), wk = 0.0034247 k( 131) = ( 0.0000000 0.0000000 0.1443850), wk = 0.0034247 k( 132) = ( 0.0000000 0.0000000 0.1575109), wk = 0.0034247 k( 133) = ( 0.0000000 0.0000000 0.1706368), wk = 0.0034247 k( 134) = ( 0.0000000 0.0000000 0.1837628), wk = 0.0034247 k( 135) = ( 0.0000000 0.0000000 0.1968887), wk = 0.0034247 k( 136) = ( 0.0000000 0.0000000 0.2100146), wk = 0.0034247 k( 137) = ( 0.0000000 0.0000000 0.2231405), wk = 0.0034247 k( 138) = ( 0.0000000 0.0000000 0.2231405), wk = 0.0034247 k( 139) = ( 0.0119048 0.0068732 0.2231405), wk = 0.0034247 k( 140) = ( 0.0238095 0.0137464 0.2231405), wk = 0.0034247 k( 141) = ( 0.0357143 0.0206197 0.2231405), wk = 0.0034247 k( 142) = ( 0.0476191 0.0274929 0.2231405), wk = 0.0034247 k( 143) = ( 0.0595238 0.0343661 0.2231405), wk = 0.0034247 k( 144) = ( 0.0714286 0.0412393 0.2231405), wk = 0.0034247 k( 145) = ( 0.0833333 0.0481125 0.2231405), wk = 0.0034247 k( 146) = ( 0.0952381 0.0549857 0.2231405), wk = 0.0034247 k( 147) = ( 0.1071429 0.0618590 0.2231405), wk = 0.0034247 k( 148) = ( 0.1190476 0.0687322 0.2231405), wk = 0.0034247 k( 149) = ( 0.1309524 0.0756054 0.2231405), wk = 0.0034247 k( 150) = ( 0.1428571 0.0824786 0.2231405), wk = 0.0034247 k( 151) = ( 0.1547619 0.0893518 0.2231405), wk = 0.0034247 k( 152) = ( 0.1666667 0.0962250 0.2231405), wk = 0.0034247 k( 153) = ( 0.1785714 0.1030983 0.2231405), wk = 0.0034247 k( 154) = ( 0.1904762 0.1099715 0.2231405), wk = 0.0034247 k( 155) = ( 0.2023810 0.1168447 0.2231405), wk = 0.0034247 k( 156) = ( 0.2142857 0.1237179 0.2231405), wk = 0.0034247 k( 157) = ( 0.2261905 0.1305911 0.2231405), wk = 0.0034247 k( 158) = ( 0.2380952 0.1374644 0.2231405), wk = 0.0034247 k( 159) = ( 0.2500000 0.1443376 0.2231405), wk = 0.0034247 k( 160) = ( 0.2619048 0.1512108 0.2231405), wk = 0.0034247 k( 161) = ( 0.2738095 0.1580840 0.2231405), wk = 0.0034247 k( 162) = ( 0.2857143 0.1649572 0.2231405), wk = 0.0034247 k( 163) = ( 0.2976190 0.1718304 0.2231405), wk = 0.0034247 k( 164) = ( 0.3095238 0.1787037 0.2231405), wk = 0.0034247 k( 165) = ( 0.3214286 0.1855769 0.2231405), wk = 0.0034247 k( 166) = ( 0.3333333 0.1924501 0.2231405), wk = 0.0034247 k( 167) = ( 0.3452381 0.1993233 0.2231405), wk = 0.0034247 k( 168) = ( 0.3571429 0.2061965 0.2231405), wk = 0.0034247 k( 169) = ( 0.3690476 0.2130697 0.2231405), wk = 0.0034247 k( 170) = ( 0.3809524 0.2199430 0.2231405), wk = 0.0034247 k( 171) = ( 0.3928571 0.2268162 0.2231405), wk = 0.0034247 k( 172) = ( 0.4047619 0.2336894 0.2231405), wk = 0.0034247 k( 173) = ( 0.4166667 0.2405626 0.2231405), wk = 0.0034247 k( 174) = ( 0.4285714 0.2474358 0.2231405), wk = 0.0034247 k( 175) = ( 0.4404762 0.2543090 0.2231405), wk = 0.0034247 k( 176) = ( 0.4523810 0.2611823 0.2231405), wk = 0.0034247 k( 177) = ( 0.4642857 0.2680555 0.2231405), wk = 0.0034247 k( 178) = ( 0.4761905 0.2749287 0.2231405), wk = 0.0034247 k( 179) = ( 0.4880952 0.2818019 0.2231405), wk = 0.0034247 k( 180) = ( 0.5000000 0.2886751 0.2231405), wk = 0.0034247 k( 181) = ( 0.5000000 0.2886751 0.2231405), wk = 0.0034247 k( 182) = ( 0.4933333 0.3002221 0.2231405), wk = 0.0034247 k( 183) = ( 0.4866667 0.3117692 0.2231405), wk = 0.0034247 k( 184) = ( 0.4800000 0.3233162 0.2231405), wk = 0.0034247 k( 185) = ( 0.4733333 0.3348632 0.2231405), wk = 0.0034247 k( 186) = ( 0.4666667 0.3464102 0.2231405), wk = 0.0034247 k( 187) = ( 0.4600000 0.3579572 0.2231405), wk = 0.0034247 k( 188) = ( 0.4533333 0.3695042 0.2231405), wk = 0.0034247 k( 189) = ( 0.4466667 0.3810512 0.2231405), wk = 0.0034247 k( 190) = ( 0.4400000 0.3925982 0.2231405), wk = 0.0034247 k( 191) = ( 0.4333333 0.4041452 0.2231405), wk = 0.0034247 k( 192) = ( 0.4266667 0.4156922 0.2231405), wk = 0.0034247 k( 193) = ( 0.4200000 0.4272392 0.2231405), wk = 0.0034247 k( 194) = ( 0.4133333 0.4387862 0.2231405), wk = 0.0034247 k( 195) = ( 0.4066667 0.4503332 0.2231405), wk = 0.0034247 k( 196) = ( 0.4000000 0.4618802 0.2231405), wk = 0.0034247 k( 197) = ( 0.3933333 0.4734272 0.2231405), wk = 0.0034247 k( 198) = ( 0.3866667 0.4849742 0.2231405), wk = 0.0034247 k( 199) = ( 0.3800000 0.4965212 0.2231405), wk = 0.0034247 k( 200) = ( 0.3733333 0.5080682 0.2231405), wk = 0.0034247 k( 201) = ( 0.3666667 0.5196152 0.2231405), wk = 0.0034247 k( 202) = ( 0.3600000 0.5311622 0.2231405), wk = 0.0034247 k( 203) = ( 0.3533333 0.5427092 0.2231405), wk = 0.0034247 k( 204) = ( 0.3466667 0.5542563 0.2231405), wk = 0.0034247 k( 205) = ( 0.3400000 0.5658033 0.2231405), wk = 0.0034247 k( 206) = ( 0.3333333 0.5773503 0.2231405), wk = 0.0034247 k( 207) = ( 0.3333333 0.5773503 0.2231405), wk = 0.0034247 k( 208) = ( 0.3265306 0.5655676 0.2231405), wk = 0.0034247 k( 209) = ( 0.3197279 0.5537850 0.2231405), wk = 0.0034247 k( 210) = ( 0.3129252 0.5420023 0.2231405), wk = 0.0034247 k( 211) = ( 0.3061224 0.5302196 0.2231405), wk = 0.0034247 k( 212) = ( 0.2993197 0.5184370 0.2231405), wk = 0.0034247 k( 213) = ( 0.2925170 0.5066543 0.2231405), wk = 0.0034247 k( 214) = ( 0.2857143 0.4948717 0.2231405), wk = 0.0034247 k( 215) = ( 0.2789116 0.4830890 0.2231405), wk = 0.0034247 k( 216) = ( 0.2721088 0.4713063 0.2231405), wk = 0.0034247 k( 217) = ( 0.2653061 0.4595237 0.2231405), wk = 0.0034247 k( 218) = ( 0.2585034 0.4477410 0.2231405), wk = 0.0034247 k( 219) = ( 0.2517007 0.4359584 0.2231405), wk = 0.0034247 k( 220) = ( 0.2448980 0.4241757 0.2231405), wk = 0.0034247 k( 221) = ( 0.2380952 0.4123931 0.2231405), wk = 0.0034247 k( 222) = ( 0.2312925 0.4006104 0.2231405), wk = 0.0034247 k( 223) = ( 0.2244898 0.3888277 0.2231405), wk = 0.0034247 k( 224) = ( 0.2176871 0.3770451 0.2231405), wk = 0.0034247 k( 225) = ( 0.2108843 0.3652624 0.2231405), wk = 0.0034247 k( 226) = ( 0.2040816 0.3534798 0.2231405), wk = 0.0034247 k( 227) = ( 0.1972789 0.3416971 0.2231405), wk = 0.0034247 k( 228) = ( 0.1904762 0.3299144 0.2231405), wk = 0.0034247 k( 229) = ( 0.1836735 0.3181318 0.2231405), wk = 0.0034247 k( 230) = ( 0.1768707 0.3063491 0.2231405), wk = 0.0034247 k( 231) = ( 0.1700680 0.2945665 0.2231405), wk = 0.0034247 k( 232) = ( 0.1632653 0.2827838 0.2231405), wk = 0.0034247 k( 233) = ( 0.1564626 0.2710012 0.2231405), wk = 0.0034247 k( 234) = ( 0.1496599 0.2592185 0.2231405), wk = 0.0034247 k( 235) = ( 0.1428571 0.2474358 0.2231405), wk = 0.0034247 k( 236) = ( 0.1360544 0.2356532 0.2231405), wk = 0.0034247 k( 237) = ( 0.1292517 0.2238705 0.2231405), wk = 0.0034247 k( 238) = ( 0.1224490 0.2120879 0.2231405), wk = 0.0034247 k( 239) = ( 0.1156463 0.2003052 0.2231405), wk = 0.0034247 k( 240) = ( 0.1088435 0.1885225 0.2231405), wk = 0.0034247 k( 241) = ( 0.1020408 0.1767399 0.2231405), wk = 0.0034247 k( 242) = ( 0.0952381 0.1649572 0.2231405), wk = 0.0034247 k( 243) = ( 0.0884354 0.1531746 0.2231405), wk = 0.0034247 k( 244) = ( 0.0816327 0.1413919 0.2231405), wk = 0.0034247 k( 245) = ( 0.0748299 0.1296092 0.2231405), wk = 0.0034247 k( 246) = ( 0.0680272 0.1178266 0.2231405), wk = 0.0034247 k( 247) = ( 0.0612245 0.1060439 0.2231405), wk = 0.0034247 k( 248) = ( 0.0544218 0.0942613 0.2231405), wk = 0.0034247 k( 249) = ( 0.0476191 0.0824786 0.2231405), wk = 0.0034247 k( 250) = ( 0.0408163 0.0706960 0.2231405), wk = 0.0034247 k( 251) = ( 0.0340136 0.0589133 0.2231405), wk = 0.0034247 k( 252) = ( 0.0272109 0.0471306 0.2231405), wk = 0.0034247 k( 253) = ( 0.0204082 0.0353480 0.2231405), wk = 0.0034247 k( 254) = ( 0.0136054 0.0235653 0.2231405), wk = 0.0034247 k( 255) = ( 0.0068027 0.0117827 0.2231405), wk = 0.0034247 k( 256) = ( 0.0000000 0.0000000 0.2231405), wk = 0.0034247 k( 257) = ( 0.5000000 0.2886751 0.2231405), wk = 0.0034247 k( 258) = ( 0.5000000 0.2886751 0.2100146), wk = 0.0034247 k( 259) = ( 0.5000000 0.2886751 0.1968887), wk = 0.0034247 k( 260) = ( 0.5000000 0.2886751 0.1837628), wk = 0.0034247 k( 261) = ( 0.5000000 0.2886751 0.1706368), wk = 0.0034247 k( 262) = ( 0.5000000 0.2886751 0.1575109), wk = 0.0034247 k( 263) = ( 0.5000000 0.2886751 0.1443850), wk = 0.0034247 k( 264) = ( 0.5000000 0.2886751 0.1312591), wk = 0.0034247 k( 265) = ( 0.5000000 0.2886751 0.1181332), wk = 0.0034247 k( 266) = ( 0.5000000 0.2886751 0.1050073), wk = 0.0034247 k( 267) = ( 0.5000000 0.2886751 0.0918814), wk = 0.0034247 k( 268) = ( 0.5000000 0.2886751 0.0787555), wk = 0.0034247 k( 269) = ( 0.5000000 0.2886751 0.0656296), wk = 0.0034247 k( 270) = ( 0.5000000 0.2886751 0.0525036), wk = 0.0034247 k( 271) = ( 0.5000000 0.2886751 0.0393777), wk = 0.0034247 k( 272) = ( 0.5000000 0.2886751 0.0262518), wk = 0.0034247 k( 273) = ( 0.5000000 0.2886751 0.0131259), wk = 0.0034247 k( 274) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034247 k( 275) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034247 k( 276) = ( 0.3333333 0.5773503 0.0131259), wk = 0.0034247 k( 277) = ( 0.3333333 0.5773503 0.0262518), wk = 0.0034247 k( 278) = ( 0.3333333 0.5773503 0.0393777), wk = 0.0034247 k( 279) = ( 0.3333333 0.5773503 0.0525036), wk = 0.0034247 k( 280) = ( 0.3333333 0.5773503 0.0656296), wk = 0.0034247 k( 281) = ( 0.3333333 0.5773503 0.0787555), wk = 0.0034247 k( 282) = ( 0.3333333 0.5773503 0.0918814), wk = 0.0034247 k( 283) = ( 0.3333333 0.5773503 0.1050073), wk = 0.0034247 k( 284) = ( 0.3333333 0.5773503 0.1181332), wk = 0.0034247 k( 285) = ( 0.3333333 0.5773503 0.1312591), wk = 0.0034247 k( 286) = ( 0.3333333 0.5773503 0.1443850), wk = 0.0034247 k( 287) = ( 0.3333333 0.5773503 0.1575109), wk = 0.0034247 k( 288) = ( 0.3333333 0.5773503 0.1706368), wk = 0.0034247 k( 289) = ( 0.3333333 0.5773503 0.1837628), wk = 0.0034247 k( 290) = ( 0.3333333 0.5773503 0.1968887), wk = 0.0034247 k( 291) = ( 0.3333333 0.5773503 0.2100146), wk = 0.0034247 k( 292) = ( 0.3333333 0.5773503 0.2231405), wk = 0.0034247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0034247 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0034247 k( 4) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0034247 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0034247 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0034247 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0034247 k( 8) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0034247 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0034247 k( 10) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0034247 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0034247 k( 12) = ( 0.1309524 0.0000000 -0.0000000), wk = 0.0034247 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0034247 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0034247 k( 15) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0034247 k( 16) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0034247 k( 17) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0034247 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0034247 k( 19) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0034247 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0034247 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0034247 k( 22) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0034247 k( 23) = ( 0.2619048 0.0000000 -0.0000000), wk = 0.0034247 k( 24) = ( 0.2738095 -0.0000000 0.0000000), wk = 0.0034247 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0034247 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0034247 k( 27) = ( 0.3095238 -0.0000000 0.0000000), wk = 0.0034247 k( 28) = ( 0.3214286 0.0000000 -0.0000000), wk = 0.0034247 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0034247 k( 30) = ( 0.3452381 0.0000000 0.0000000), wk = 0.0034247 k( 31) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0034247 k( 32) = ( 0.3690476 0.0000000 0.0000000), wk = 0.0034247 k( 33) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0034247 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0034247 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0034247 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0034247 k( 37) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0034247 k( 38) = ( 0.4404762 0.0000000 0.0000000), wk = 0.0034247 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0034247 k( 40) = ( 0.4642857 0.0000000 -0.0000000), wk = 0.0034247 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0034247 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0034247 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034247 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034247 k( 45) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0034247 k( 46) = ( 0.4866667 0.0266667 0.0000000), wk = 0.0034247 k( 47) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0034247 k( 48) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0034247 k( 49) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0034247 k( 50) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0034247 k( 51) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0034247 k( 52) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0034247 k( 53) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0034247 k( 54) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0034247 k( 55) = ( 0.4266667 0.1466667 -0.0000000), wk = 0.0034247 k( 56) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0034247 k( 57) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0034247 k( 58) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0034247 k( 59) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0034247 k( 60) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0034247 k( 61) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0034247 k( 62) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0034247 k( 63) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0034247 k( 64) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0034247 k( 65) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0034247 k( 66) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0034247 k( 67) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0034247 k( 68) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0034247 k( 69) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034247 k( 70) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034247 k( 71) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0034247 k( 72) = ( 0.3197279 0.3197279 0.0000000), wk = 0.0034247 k( 73) = ( 0.3129252 0.3129252 0.0000000), wk = 0.0034247 k( 74) = ( 0.3061224 0.3061225 0.0000000), wk = 0.0034247 k( 75) = ( 0.2993197 0.2993197 0.0000000), wk = 0.0034247 k( 76) = ( 0.2925170 0.2925170 0.0000000), wk = 0.0034247 k( 77) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0034247 k( 78) = ( 0.2789116 0.2789116 -0.0000000), wk = 0.0034247 k( 79) = ( 0.2721088 0.2721088 -0.0000000), wk = 0.0034247 k( 80) = ( 0.2653061 0.2653061 -0.0000000), wk = 0.0034247 k( 81) = ( 0.2585034 0.2585034 0.0000000), wk = 0.0034247 k( 82) = ( 0.2517007 0.2517007 0.0000000), wk = 0.0034247 k( 83) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0034247 k( 84) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0034247 k( 85) = ( 0.2312925 0.2312925 -0.0000000), wk = 0.0034247 k( 86) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0034247 k( 87) = ( 0.2176871 0.2176871 0.0000000), wk = 0.0034247 k( 88) = ( 0.2108843 0.2108843 0.0000000), wk = 0.0034247 k( 89) = ( 0.2040816 0.2040816 0.0000000), wk = 0.0034247 k( 90) = ( 0.1972789 0.1972789 0.0000000), wk = 0.0034247 k( 91) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0034247 k( 92) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0034247 k( 93) = ( 0.1768707 0.1768707 0.0000000), wk = 0.0034247 k( 94) = ( 0.1700680 0.1700680 0.0000000), wk = 0.0034247 k( 95) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0034247 k( 96) = ( 0.1564626 0.1564626 0.0000000), wk = 0.0034247 k( 97) = ( 0.1496599 0.1496599 -0.0000000), wk = 0.0034247 k( 98) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0034247 k( 99) = ( 0.1360544 0.1360544 -0.0000000), wk = 0.0034247 k( 100) = ( 0.1292517 0.1292517 0.0000000), wk = 0.0034247 k( 101) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0034247 k( 102) = ( 0.1156463 0.1156463 -0.0000000), wk = 0.0034247 k( 103) = ( 0.1088435 0.1088435 -0.0000000), wk = 0.0034247 k( 104) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0034247 k( 105) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0034247 k( 106) = ( 0.0884354 0.0884354 -0.0000000), wk = 0.0034247 k( 107) = ( 0.0816327 0.0816327 -0.0000000), wk = 0.0034247 k( 108) = ( 0.0748299 0.0748299 -0.0000000), wk = 0.0034247 k( 109) = ( 0.0680272 0.0680272 -0.0000000), wk = 0.0034247 k( 110) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0034247 k( 111) = ( 0.0544218 0.0544218 -0.0000000), wk = 0.0034247 k( 112) = ( 0.0476191 0.0476190 0.0000000), wk = 0.0034247 k( 113) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0034247 k( 114) = ( 0.0340136 0.0340136 -0.0000000), wk = 0.0034247 k( 115) = ( 0.0272109 0.0272109 -0.0000000), wk = 0.0034247 k( 116) = ( 0.0204082 0.0204082 0.0000000), wk = 0.0034247 k( 117) = ( 0.0136054 0.0136054 -0.0000000), wk = 0.0034247 k( 118) = ( 0.0068027 0.0068027 -0.0000000), wk = 0.0034247 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 121) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0034247 k( 122) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0034247 k( 123) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0034247 k( 124) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0034247 k( 125) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0034247 k( 126) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0034247 k( 127) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0034247 k( 128) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0034247 k( 129) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0034247 k( 130) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0034247 k( 131) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0034247 k( 132) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0034247 k( 133) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0034247 k( 134) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0034247 k( 135) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0034247 k( 136) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0034247 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 139) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0034247 k( 140) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0034247 k( 141) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0034247 k( 142) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0034247 k( 143) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0034247 k( 144) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0034247 k( 145) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0034247 k( 146) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0034247 k( 147) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0034247 k( 148) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0034247 k( 149) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0034247 k( 150) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0034247 k( 151) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0034247 k( 152) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0034247 k( 153) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0034247 k( 154) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0034247 k( 155) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0034247 k( 156) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0034247 k( 157) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0034247 k( 158) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0034247 k( 159) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0034247 k( 160) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0034247 k( 161) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0034247 k( 162) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0034247 k( 163) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0034247 k( 164) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0034247 k( 165) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0034247 k( 166) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0034247 k( 167) = ( 0.3452381 0.0000000 0.5000000), wk = 0.0034247 k( 168) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0034247 k( 169) = ( 0.3690476 0.0000000 0.5000000), wk = 0.0034247 k( 170) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0034247 k( 171) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0034247 k( 172) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0034247 k( 173) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0034247 k( 174) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0034247 k( 175) = ( 0.4404762 0.0000000 0.5000000), wk = 0.0034247 k( 176) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0034247 k( 177) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0034247 k( 178) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0034247 k( 179) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0034247 k( 180) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 k( 181) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 k( 182) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0034247 k( 183) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0034247 k( 184) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0034247 k( 185) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0034247 k( 186) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0034247 k( 187) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0034247 k( 188) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0034247 k( 189) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0034247 k( 190) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0034247 k( 191) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0034247 k( 192) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0034247 k( 193) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0034247 k( 194) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0034247 k( 195) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0034247 k( 196) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0034247 k( 197) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0034247 k( 198) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0034247 k( 199) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0034247 k( 200) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0034247 k( 201) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0034247 k( 202) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0034247 k( 203) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0034247 k( 204) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0034247 k( 205) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0034247 k( 206) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034247 k( 207) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034247 k( 208) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0034247 k( 209) = ( 0.3197279 0.3197279 0.5000000), wk = 0.0034247 k( 210) = ( 0.3129252 0.3129252 0.5000000), wk = 0.0034247 k( 211) = ( 0.3061224 0.3061225 0.5000000), wk = 0.0034247 k( 212) = ( 0.2993197 0.2993197 0.5000000), wk = 0.0034247 k( 213) = ( 0.2925170 0.2925170 0.5000000), wk = 0.0034247 k( 214) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0034247 k( 215) = ( 0.2789116 0.2789116 0.5000000), wk = 0.0034247 k( 216) = ( 0.2721088 0.2721088 0.5000000), wk = 0.0034247 k( 217) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0034247 k( 218) = ( 0.2585034 0.2585034 0.5000000), wk = 0.0034247 k( 219) = ( 0.2517007 0.2517007 0.5000000), wk = 0.0034247 k( 220) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0034247 k( 221) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0034247 k( 222) = ( 0.2312925 0.2312925 0.5000000), wk = 0.0034247 k( 223) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0034247 k( 224) = ( 0.2176871 0.2176871 0.5000000), wk = 0.0034247 k( 225) = ( 0.2108843 0.2108843 0.5000000), wk = 0.0034247 k( 226) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0034247 k( 227) = ( 0.1972789 0.1972789 0.5000000), wk = 0.0034247 k( 228) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0034247 k( 229) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0034247 k( 230) = ( 0.1768707 0.1768707 0.5000000), wk = 0.0034247 k( 231) = ( 0.1700680 0.1700680 0.5000000), wk = 0.0034247 k( 232) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0034247 k( 233) = ( 0.1564626 0.1564626 0.5000000), wk = 0.0034247 k( 234) = ( 0.1496599 0.1496599 0.5000000), wk = 0.0034247 k( 235) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0034247 k( 236) = ( 0.1360544 0.1360544 0.5000000), wk = 0.0034247 k( 237) = ( 0.1292517 0.1292517 0.5000000), wk = 0.0034247 k( 238) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0034247 k( 239) = ( 0.1156463 0.1156463 0.5000000), wk = 0.0034247 k( 240) = ( 0.1088435 0.1088435 0.5000000), wk = 0.0034247 k( 241) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0034247 k( 242) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0034247 k( 243) = ( 0.0884354 0.0884354 0.5000000), wk = 0.0034247 k( 244) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0034247 k( 245) = ( 0.0748299 0.0748299 0.5000000), wk = 0.0034247 k( 246) = ( 0.0680272 0.0680272 0.5000000), wk = 0.0034247 k( 247) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0034247 k( 248) = ( 0.0544218 0.0544218 0.5000000), wk = 0.0034247 k( 249) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0034247 k( 250) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0034247 k( 251) = ( 0.0340136 0.0340136 0.5000000), wk = 0.0034247 k( 252) = ( 0.0272109 0.0272109 0.5000000), wk = 0.0034247 k( 253) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0034247 k( 254) = ( 0.0136054 0.0136054 0.5000000), wk = 0.0034247 k( 255) = ( 0.0068027 0.0068027 0.5000000), wk = 0.0034247 k( 256) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 257) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 k( 258) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0034247 k( 259) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0034247 k( 260) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0034247 k( 261) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0034247 k( 262) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0034247 k( 263) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0034247 k( 264) = ( 0.5000000 0.0000000 0.2941176), wk = 0.0034247 k( 265) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0034247 k( 266) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0034247 k( 267) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0034247 k( 268) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0034247 k( 269) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0034247 k( 270) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0034247 k( 271) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0034247 k( 272) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0034247 k( 273) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0034247 k( 274) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034247 k( 275) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034247 k( 276) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0034247 k( 277) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0034247 k( 278) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0034247 k( 279) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0034247 k( 280) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0034247 k( 281) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0034247 k( 282) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0034247 k( 283) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0034247 k( 284) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0034247 k( 285) = ( 0.3333333 0.3333333 0.2941176), wk = 0.0034247 k( 286) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0034247 k( 287) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0034247 k( 288) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0034247 k( 289) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0034247 k( 290) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0034247 k( 291) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0034247 k( 292) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034247 Dense grid: 151313 G-vectors FFT dimensions: ( 54, 54, 120) Smooth grid: 40157 G-vectors FFT dimensions: ( 36, 36, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 344, 64) NL pseudopotentials 0.38 Mb ( 172, 144) Each V/rho on FFT grid 0.18 Mb ( 11664) Each G-vector array 0.04 Mb ( 4738) G-vector shells 0.02 Mb ( 2107) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.34 Mb ( 344, 256) Each subspace H/S matrix 1.00 Mb ( 256, 256) Each matrix 0.28 Mb ( 144, 2, 64) The potential is recalculated from file : ./HgSe.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 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.9 secs Computing kpt #: 3 total cpu time spent up to now is 7.8 secs Computing kpt #: 4 total cpu time spent up to now is 9.7 secs Computing kpt #: 5 total cpu time spent up to now is 11.6 secs Computing kpt #: 6 total cpu time spent up to now is 13.7 secs Computing kpt #: 7 total cpu time spent up to now is 15.6 secs Computing kpt #: 8 total cpu time spent up to now is 17.5 secs Computing kpt #: 9 total cpu time spent up to now is 19.4 secs Computing kpt #: 10 total cpu time spent up to now is 21.3 secs Computing kpt #: 11 total cpu time spent up to now is 23.2 secs Computing kpt #: 12 total cpu time spent up to now is 25.1 secs Computing kpt #: 13 total cpu time spent up to now is 27.1 secs Computing kpt #: 14 total cpu time spent up to now is 29.1 secs Computing kpt #: 15 total cpu time spent up to now is 31.1 secs Computing kpt #: 16 total cpu time spent up to now is 33.1 secs Computing kpt #: 17 total cpu time spent up to now is 35.1 secs Computing kpt #: 18 total cpu time spent up to now is 37.1 secs Computing kpt #: 19 total cpu time spent up to now is 39.2 secs Computing kpt #: 20 total cpu time spent up to now is 41.2 secs Computing kpt #: 21 total cpu time spent up to now is 43.4 secs Computing kpt #: 22 total cpu time spent up to now is 45.5 secs Computing kpt #: 23 total cpu time spent up to now is 47.7 secs Computing kpt #: 24 total cpu time spent up to now is 49.9 secs Computing kpt #: 25 total cpu time spent up to now is 52.1 secs Computing kpt #: 26 total cpu time spent up to now is 54.3 secs Computing kpt #: 27 total cpu time spent up to now is 56.5 secs Computing kpt #: 28 total cpu time spent up to now is 58.7 secs Computing kpt #: 29 total cpu time spent up to now is 60.9 secs Computing kpt #: 30 total cpu time spent up to now is 63.2 secs Computing kpt #: 31 total cpu time spent up to now is 65.5 secs Computing kpt #: 32 total cpu time spent up to now is 67.8 secs Computing kpt #: 33 total cpu time spent up to now is 70.2 secs Computing kpt #: 34 total cpu time spent up to now is 72.4 secs Computing kpt #: 35 total cpu time spent up to now is 74.5 secs Computing kpt #: 36 total cpu time spent up to now is 76.6 secs Computing kpt #: 37 total cpu time spent up to now is 78.7 secs Computing kpt #: 38 total cpu time spent up to now is 80.8 secs Computing kpt #: 39 total cpu time spent up to now is 82.9 secs Computing kpt #: 40 total cpu time spent up to now is 85.1 secs Computing kpt #: 41 total cpu time spent up to now is 87.2 secs Computing kpt #: 42 total cpu time spent up to now is 89.3 secs Computing kpt #: 43 total cpu time spent up to now is 91.3 secs Computing kpt #: 44 total cpu time spent up to now is 93.4 secs Computing kpt #: 45 total cpu time spent up to now is 95.5 secs Computing kpt #: 46 total cpu time spent up to now is 97.6 secs Computing kpt #: 47 total cpu time spent up to now is 99.7 secs Computing kpt #: 48 total cpu time spent up to now is 101.7 secs Computing kpt #: 49 total cpu time spent up to now is 103.7 secs Computing kpt #: 50 total cpu time spent up to now is 105.8 secs Computing kpt #: 51 total cpu time spent up to now is 107.7 secs Computing kpt #: 52 total cpu time spent up to now is 109.7 secs Computing kpt #: 53 total cpu time spent up to now is 111.6 secs Computing kpt #: 54 total cpu time spent up to now is 113.6 secs Computing kpt #: 55 total cpu time spent up to now is 115.5 secs Computing kpt #: 56 total cpu time spent up to now is 117.5 secs Computing kpt #: 57 total cpu time spent up to now is 119.4 secs Computing kpt #: 58 total cpu time spent up to now is 121.4 secs Computing kpt #: 59 total cpu time spent up to now is 123.4 secs Computing kpt #: 60 total cpu time spent up to now is 125.4 secs Computing kpt #: 61 total cpu time spent up to now is 127.4 secs Computing kpt #: 62 total cpu time spent up to now is 129.4 secs Computing kpt #: 63 total cpu time spent up to now is 131.5 secs Computing kpt #: 64 total cpu time spent up to now is 133.6 secs Computing kpt #: 65 total cpu time spent up to now is 135.8 secs Computing kpt #: 66 total cpu time spent up to now is 138.0 secs Computing kpt #: 67 total cpu time spent up to now is 140.2 secs Computing kpt #: 68 total cpu time spent up to now is 142.5 secs Computing kpt #: 69 total cpu time spent up to now is 144.9 secs Computing kpt #: 70 total cpu time spent up to now is 147.2 secs Computing kpt #: 71 total cpu time spent up to now is 149.6 secs Computing kpt #: 72 total cpu time spent up to now is 151.9 secs Computing kpt #: 73 total cpu time spent up to now is 154.2 secs Computing kpt #: 74 total cpu time spent up to now is 156.5 secs Computing kpt #: 75 total cpu time spent up to now is 158.9 secs Computing kpt #: 76 total cpu time spent up to now is 161.3 secs Computing kpt #: 77 total cpu time spent up to now is 163.6 secs Computing kpt #: 78 total cpu time spent up to now is 165.8 secs Computing kpt #: 79 total cpu time spent up to now is 168.1 secs Computing kpt #: 80 total cpu time spent up to now is 170.5 secs Computing kpt #: 81 total cpu time spent up to now is 172.9 secs Computing kpt #: 82 total cpu time spent up to now is 175.1 secs Computing kpt #: 83 total cpu time spent up to now is 177.3 secs Computing kpt #: 84 total cpu time spent up to now is 179.5 secs Computing kpt #: 85 total cpu time spent up to now is 181.6 secs Computing kpt #: 86 total cpu time spent up to now is 183.7 secs Computing kpt #: 87 total cpu time spent up to now is 185.9 secs Computing kpt #: 88 total cpu time spent up to now is 188.0 secs Computing kpt #: 89 total cpu time spent up to now is 190.1 secs Computing kpt #: 90 total cpu time spent up to now is 192.2 secs Computing kpt #: 91 total cpu time spent up to now is 194.3 secs Computing kpt #: 92 total cpu time spent up to now is 196.5 secs Computing kpt #: 93 total cpu time spent up to now is 198.6 secs Computing kpt #: 94 total cpu time spent up to now is 200.8 secs Computing kpt #: 95 total cpu time spent up to now is 203.1 secs Computing kpt #: 96 total cpu time spent up to now is 205.3 secs Computing kpt #: 97 total cpu time spent up to now is 207.5 secs Computing kpt #: 98 total cpu time spent up to now is 209.7 secs Computing kpt #: 99 total cpu time spent up to now is 211.9 secs Computing kpt #: 100 total cpu time spent up to now is 213.9 secs Computing kpt #: 101 total cpu time spent up to now is 216.0 secs Computing kpt #: 102 total cpu time spent up to now is 217.9 secs Computing kpt #: 103 total cpu time spent up to now is 219.9 secs Computing kpt #: 104 total cpu time spent up to now is 221.9 secs Computing kpt #: 105 total cpu time spent up to now is 223.8 secs Computing kpt #: 106 total cpu time spent up to now is 225.8 secs Computing kpt #: 107 total cpu time spent up to now is 227.7 secs Computing kpt #: 108 total cpu time spent up to now is 229.6 secs Computing kpt #: 109 total cpu time spent up to now is 231.5 secs Computing kpt #: 110 total cpu time spent up to now is 233.4 secs Computing kpt #: 111 total cpu time spent up to now is 235.3 secs Computing kpt #: 112 total cpu time spent up to now is 237.3 secs Computing kpt #: 113 total cpu time spent up to now is 239.3 secs Computing kpt #: 114 total cpu time spent up to now is 241.2 secs Computing kpt #: 115 total cpu time spent up to now is 243.1 secs Computing kpt #: 116 total cpu time spent up to now is 244.9 secs Computing kpt #: 117 total cpu time spent up to now is 246.8 secs Computing kpt #: 118 total cpu time spent up to now is 248.6 secs Computing kpt #: 119 total cpu time spent up to now is 250.4 secs Computing kpt #: 120 total cpu time spent up to now is 252.2 secs Computing kpt #: 121 total cpu time spent up to now is 254.0 secs Computing kpt #: 122 total cpu time spent up to now is 255.9 secs Computing kpt #: 123 total cpu time spent up to now is 257.8 secs Computing kpt #: 124 total cpu time spent up to now is 259.7 secs Computing kpt #: 125 total cpu time spent up to now is 261.6 secs Computing kpt #: 126 total cpu time spent up to now is 263.5 secs Computing kpt #: 127 total cpu time spent up to now is 265.5 secs Computing kpt #: 128 total cpu time spent up to now is 267.5 secs Computing kpt #: 129 total cpu time spent up to now is 269.5 secs Computing kpt #: 130 total cpu time spent up to now is 271.6 secs Computing kpt #: 131 total cpu time spent up to now is 273.7 secs Computing kpt #: 132 total cpu time spent up to now is 275.8 secs Computing kpt #: 133 total cpu time spent up to now is 277.9 secs Computing kpt #: 134 total cpu time spent up to now is 280.1 secs Computing kpt #: 135 total cpu time spent up to now is 282.5 secs Computing kpt #: 136 total cpu time spent up to now is 284.9 secs Computing kpt #: 137 total cpu time spent up to now is 287.2 secs Computing kpt #: 138 total cpu time spent up to now is 289.4 secs Computing kpt #: 139 total cpu time spent up to now is 291.7 secs Computing kpt #: 140 total cpu time spent up to now is 293.9 secs Computing kpt #: 141 total cpu time spent up to now is 296.2 secs Computing kpt #: 142 total cpu time spent up to now is 298.5 secs Computing kpt #: 143 total cpu time spent up to now is 300.7 secs Computing kpt #: 144 total cpu time spent up to now is 302.9 secs Computing kpt #: 145 total cpu time spent up to now is 305.0 secs Computing kpt #: 146 total cpu time spent up to now is 307.1 secs Computing kpt #: 147 total cpu time spent up to now is 309.2 secs Computing kpt #: 148 total cpu time spent up to now is 311.3 secs Computing kpt #: 149 total cpu time spent up to now is 313.4 secs Computing kpt #: 150 total cpu time spent up to now is 315.5 secs Computing kpt #: 151 total cpu time spent up to now is 317.6 secs Computing kpt #: 152 total cpu time spent up to now is 319.7 secs Computing kpt #: 153 total cpu time spent up to now is 321.8 secs Computing kpt #: 154 total cpu time spent up to now is 323.9 secs Computing kpt #: 155 total cpu time spent up to now is 326.0 secs Computing kpt #: 156 total cpu time spent up to now is 328.1 secs Computing kpt #: 157 total cpu time spent up to now is 330.2 secs Computing kpt #: 158 total cpu time spent up to now is 332.3 secs Computing kpt #: 159 total cpu time spent up to now is 334.4 secs Computing kpt #: 160 total cpu time spent up to now is 336.5 secs Computing kpt #: 161 total cpu time spent up to now is 338.6 secs Computing kpt #: 162 total cpu time spent up to now is 340.7 secs Computing kpt #: 163 total cpu time spent up to now is 342.8 secs Computing kpt #: 164 total cpu time spent up to now is 344.8 secs Computing kpt #: 165 total cpu time spent up to now is 346.9 secs Computing kpt #: 166 total cpu time spent up to now is 349.0 secs Computing kpt #: 167 total cpu time spent up to now is 351.1 secs Computing kpt #: 168 total cpu time spent up to now is 353.1 secs Computing kpt #: 169 total cpu time spent up to now is 355.2 secs Computing kpt #: 170 total cpu time spent up to now is 357.3 secs Computing kpt #: 171 total cpu time spent up to now is 359.3 secs Computing kpt #: 172 total cpu time spent up to now is 361.4 secs Computing kpt #: 173 total cpu time spent up to now is 363.4 secs Computing kpt #: 174 total cpu time spent up to now is 365.4 secs Computing kpt #: 175 total cpu time spent up to now is 367.5 secs Computing kpt #: 176 total cpu time spent up to now is 369.5 secs Computing kpt #: 177 total cpu time spent up to now is 371.6 secs Computing kpt #: 178 total cpu time spent up to now is 373.6 secs Computing kpt #: 179 total cpu time spent up to now is 375.6 secs Computing kpt #: 180 total cpu time spent up to now is 377.6 secs Computing kpt #: 181 total cpu time spent up to now is 379.6 secs Computing kpt #: 182 total cpu time spent up to now is 381.6 secs Computing kpt #: 183 total cpu time spent up to now is 383.6 secs Computing kpt #: 184 total cpu time spent up to now is 385.7 secs Computing kpt #: 185 total cpu time spent up to now is 387.7 secs Computing kpt #: 186 total cpu time spent up to now is 389.8 secs Computing kpt #: 187 total cpu time spent up to now is 391.9 secs Computing kpt #: 188 total cpu time spent up to now is 394.0 secs Computing kpt #: 189 total cpu time spent up to now is 396.2 secs Computing kpt #: 190 total cpu time spent up to now is 398.3 secs Computing kpt #: 191 total cpu time spent up to now is 400.4 secs Computing kpt #: 192 total cpu time spent up to now is 402.6 secs Computing kpt #: 193 total cpu time spent up to now is 404.7 secs Computing kpt #: 194 total cpu time spent up to now is 406.9 secs Computing kpt #: 195 total cpu time spent up to now is 409.1 secs Computing kpt #: 196 total cpu time spent up to now is 411.2 secs Computing kpt #: 197 total cpu time spent up to now is 413.3 secs Computing kpt #: 198 total cpu time spent up to now is 415.5 secs Computing kpt #: 199 total cpu time spent up to now is 417.7 secs Computing kpt #: 200 total cpu time spent up to now is 419.8 secs Computing kpt #: 201 total cpu time spent up to now is 422.0 secs Computing kpt #: 202 total cpu time spent up to now is 424.2 secs Computing kpt #: 203 total cpu time spent up to now is 426.4 secs Computing kpt #: 204 total cpu time spent up to now is 428.6 secs Computing kpt #: 205 total cpu time spent up to now is 430.8 secs Computing kpt #: 206 total cpu time spent up to now is 433.0 secs Computing kpt #: 207 total cpu time spent up to now is 435.2 secs Computing kpt #: 208 total cpu time spent up to now is 437.4 secs Computing kpt #: 209 total cpu time spent up to now is 439.6 secs Computing kpt #: 210 total cpu time spent up to now is 441.8 secs Computing kpt #: 211 total cpu time spent up to now is 443.9 secs Computing kpt #: 212 total cpu time spent up to now is 446.0 secs Computing kpt #: 213 total cpu time spent up to now is 448.1 secs Computing kpt #: 214 total cpu time spent up to now is 450.2 secs Computing kpt #: 215 total cpu time spent up to now is 452.3 secs Computing kpt #: 216 total cpu time spent up to now is 454.4 secs Computing kpt #: 217 total cpu time spent up to now is 456.5 secs Computing kpt #: 218 total cpu time spent up to now is 458.5 secs Computing kpt #: 219 total cpu time spent up to now is 460.6 secs Computing kpt #: 220 total cpu time spent up to now is 462.6 secs Computing kpt #: 221 total cpu time spent up to now is 464.6 secs Computing kpt #: 222 total cpu time spent up to now is 466.7 secs Computing kpt #: 223 total cpu time spent up to now is 468.7 secs Computing kpt #: 224 total cpu time spent up to now is 470.8 secs Computing kpt #: 225 total cpu time spent up to now is 472.8 secs Computing kpt #: 226 total cpu time spent up to now is 474.9 secs Computing kpt #: 227 total cpu time spent up to now is 476.9 secs Computing kpt #: 228 total cpu time spent up to now is 479.0 secs Computing kpt #: 229 total cpu time spent up to now is 481.1 secs Computing kpt #: 230 total cpu time spent up to now is 483.2 secs Computing kpt #: 231 total cpu time spent up to now is 485.3 secs Computing kpt #: 232 total cpu time spent up to now is 487.4 secs Computing kpt #: 233 total cpu time spent up to now is 489.5 secs Computing kpt #: 234 total cpu time spent up to now is 491.5 secs Computing kpt #: 235 total cpu time spent up to now is 493.6 secs Computing kpt #: 236 total cpu time spent up to now is 495.6 secs Computing kpt #: 237 total cpu time spent up to now is 497.7 secs Computing kpt #: 238 total cpu time spent up to now is 499.7 secs Computing kpt #: 239 total cpu time spent up to now is 501.8 secs Computing kpt #: 240 total cpu time spent up to now is 503.9 secs Computing kpt #: 241 total cpu time spent up to now is 505.9 secs Computing kpt #: 242 total cpu time spent up to now is 508.0 secs Computing kpt #: 243 total cpu time spent up to now is 510.1 secs Computing kpt #: 244 total cpu time spent up to now is 512.2 secs Computing kpt #: 245 total cpu time spent up to now is 514.2 secs Computing kpt #: 246 total cpu time spent up to now is 516.3 secs Computing kpt #: 247 total cpu time spent up to now is 518.4 secs Computing kpt #: 248 total cpu time spent up to now is 520.5 secs Computing kpt #: 249 total cpu time spent up to now is 522.6 secs Computing kpt #: 250 total cpu time spent up to now is 524.8 secs Computing kpt #: 251 total cpu time spent up to now is 526.9 secs Computing kpt #: 252 total cpu time spent up to now is 529.1 secs Computing kpt #: 253 total cpu time spent up to now is 531.3 secs Computing kpt #: 254 total cpu time spent up to now is 533.5 secs Computing kpt #: 255 total cpu time spent up to now is 535.8 secs Computing kpt #: 256 total cpu time spent up to now is 538.0 secs Computing kpt #: 257 total cpu time spent up to now is 540.0 secs Computing kpt #: 258 total cpu time spent up to now is 542.0 secs Computing kpt #: 259 total cpu time spent up to now is 544.1 secs Computing kpt #: 260 total cpu time spent up to now is 546.1 secs Computing kpt #: 261 total cpu time spent up to now is 548.2 secs Computing kpt #: 262 total cpu time spent up to now is 550.2 secs Computing kpt #: 263 total cpu time spent up to now is 552.4 secs Computing kpt #: 264 total cpu time spent up to now is 554.7 secs Computing kpt #: 265 total cpu time spent up to now is 556.8 secs Computing kpt #: 266 total cpu time spent up to now is 559.0 secs Computing kpt #: 267 total cpu time spent up to now is 561.1 secs Computing kpt #: 268 total cpu time spent up to now is 563.2 secs Computing kpt #: 269 total cpu time spent up to now is 565.3 secs Computing kpt #: 270 total cpu time spent up to now is 567.4 secs Computing kpt #: 271 total cpu time spent up to now is 569.6 secs Computing kpt #: 272 total cpu time spent up to now is 571.7 secs Computing kpt #: 273 total cpu time spent up to now is 573.8 secs Computing kpt #: 274 total cpu time spent up to now is 575.9 secs Computing kpt #: 275 total cpu time spent up to now is 578.3 secs Computing kpt #: 276 total cpu time spent up to now is 580.7 secs Computing kpt #: 277 total cpu time spent up to now is 583.1 secs Computing kpt #: 278 total cpu time spent up to now is 585.5 secs Computing kpt #: 279 total cpu time spent up to now is 587.9 secs Computing kpt #: 280 total cpu time spent up to now is 590.3 secs Computing kpt #: 281 total cpu time spent up to now is 592.7 secs Computing kpt #: 282 total cpu time spent up to now is 595.1 secs Computing kpt #: 283 total cpu time spent up to now is 597.5 secs Computing kpt #: 284 total cpu time spent up to now is 599.9 secs Computing kpt #: 285 total cpu time spent up to now is 602.2 secs Computing kpt #: 286 total cpu time spent up to now is 604.6 secs Computing kpt #: 287 total cpu time spent up to now is 606.9 secs Computing kpt #: 288 total cpu time spent up to now is 609.1 secs Computing kpt #: 289 total cpu time spent up to now is 611.4 secs Computing kpt #: 290 total cpu time spent up to now is 613.7 secs Computing kpt #: 291 total cpu time spent up to now is 615.9 secs Computing kpt #: 292 total cpu time spent up to now is 618.2 secs ethr = 1.85E-11, avg # of iterations = 35.9 total cpu time spent up to now is 618.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5073 PWs) bands (ev): -6.2235 -6.2235 -5.4234 -5.4234 -5.4139 -5.4139 -0.6700 -0.6700 -0.6313 -0.6313 -0.3889 -0.3889 -0.1787 -0.1787 -0.0995 -0.0995 -0.0787 -0.0787 0.6984 0.6984 0.7919 0.7919 1.2725 1.2725 1.3440 1.3440 1.4555 1.4555 1.5023 1.5023 1.7319 1.7319 1.7833 1.7833 1.8378 1.8378 2.9469 2.9469 3.0296 3.0296 5.3156 5.3156 5.5088 5.5088 5.8398 5.8398 5.9877 5.9877 7.0360 7.0360 7.1572 7.1572 7.2635 7.2635 7.9758 7.9758 9.9577 9.9577 9.9601 9.9601 11.3827 11.3827 11.4295 11.4295 k = 0.0119 0.0069-0.0000 ( 5051 PWs) bands (ev): -6.2229 -6.2227 -5.4234 -5.4230 -5.4137 -5.4137 -0.6700 -0.6700 -0.6323 -0.6302 -0.3914 -0.3856 -0.1788 -0.1783 -0.0995 -0.0995 -0.0791 -0.0780 0.6985 0.6985 0.7895 0.7949 1.2696 1.2760 1.3426 1.3459 1.4548 1.4562 1.5026 1.5026 1.7318 1.7318 1.7825 1.7843 1.8371 1.8387 2.9473 2.9473 3.0291 3.0309 5.3080 5.3149 5.4762 5.4988 5.8424 5.8578 5.9951 5.9951 7.0324 7.0337 7.1554 7.1555 7.2581 7.2641 7.9753 7.9786 9.9580 9.9647 9.9655 9.9688 11.3746 11.3762 11.4247 11.4263 k = 0.0238 0.0137-0.0000 ( 5049 PWs) bands (ev): -6.2210 -6.2207 -5.4231 -5.4223 -5.4132 -5.4132 -0.6700 -0.6699 -0.6334 -0.6292 -0.3931 -0.3816 -0.1787 -0.1777 -0.0996 -0.0995 -0.0793 -0.0772 0.6987 0.6988 0.7876 0.7984 1.2671 1.2799 1.3415 1.3482 1.4539 1.4567 1.5033 1.5035 1.7315 1.7315 1.7820 1.7856 1.8365 1.8396 2.9484 2.9485 3.0294 3.0330 5.2877 5.3076 5.4116 5.4584 5.8562 5.8822 6.0183 6.0188 7.0230 7.0257 7.1493 7.1505 7.2482 7.2604 7.9775 7.9836 9.9687 9.9787 9.9814 9.9909 11.3489 11.3590 11.4084 11.4194 k = 0.0357 0.0206-0.0000 ( 5041 PWs) bands (ev): -6.2178 -6.2174 -5.4225 -5.4213 -5.4124 -5.4123 -0.6699 -0.6698 -0.6344 -0.6282 -0.3941 -0.3769 -0.1783 -0.1768 -0.0998 -0.0996 -0.0794 -0.0762 0.6990 0.6993 0.7863 0.8023 1.2652 1.2843 1.3408 1.3509 1.4528 1.4573 1.5044 1.5049 1.7309 1.7310 1.7816 1.7870 1.8359 1.8407 2.9502 2.9505 3.0306 3.0359 5.2473 5.2916 5.3324 5.4117 5.8662 5.8987 6.0553 6.0577 7.0077 7.0117 7.1382 7.1417 7.2350 7.2534 7.9839 7.9917 9.9886 10.0005 10.0079 10.0233 11.3078 11.3336 11.3805 11.4095 k = 0.0476 0.0275-0.0000 ( 5037 PWs) bands (ev): -6.2132 -6.2127 -5.4216 -5.4201 -5.4112 -5.4109 -0.6698 -0.6695 -0.6355 -0.6271 -0.3942 -0.3715 -0.1778 -0.1757 -0.1001 -0.0996 -0.0791 -0.0751 0.6992 0.7001 0.7855 0.8066 1.2638 1.2891 1.3406 1.3539 1.4515 1.4580 1.5059 1.5069 1.7300 1.7303 1.7815 1.7887 1.8355 1.8419 2.9524 2.9532 3.0328 3.0395 5.1825 5.2282 5.2862 5.3737 5.8692 5.9064 6.0979 6.1031 6.9864 6.9918 7.1215 7.1283 7.2203 7.2447 7.9958 8.0040 10.0160 10.0289 10.0440 10.0648 11.2556 11.3017 11.3431 11.3963 k = 0.0595 0.0344-0.0000 ( 5041 PWs) bands (ev): -6.2075 -6.2068 -5.4205 -5.4187 -5.4097 -5.4090 -0.6697 -0.6692 -0.6366 -0.6260 -0.3934 -0.3655 -0.1770 -0.1744 -0.1005 -0.0996 -0.0787 -0.0738 0.6995 0.7012 0.7853 0.8114 1.2630 1.2943 1.3407 1.3572 1.4501 1.4588 1.5076 1.5094 1.7290 1.7295 1.7816 1.7906 1.8352 1.8432 2.9548 2.9565 3.0361 3.0440 5.0995 5.1317 5.2635 5.3437 5.8671 5.9085 6.1376 6.1466 6.9583 6.9656 7.0994 7.1094 7.2062 7.2357 8.0152 8.0224 10.0489 10.0623 10.0880 10.1131 11.1965 11.2647 11.2997 11.3808 k = 0.0714 0.0412-0.0000 ( 5041 PWs) bands (ev): -6.2004 -6.1996 -5.4192 -5.4172 -5.4077 -5.4067 -0.6695 -0.6687 -0.6377 -0.6249 -0.3919 -0.3590 -0.1761 -0.1728 -0.1010 -0.0995 -0.0781 -0.0724 0.6996 0.7025 0.7857 0.8165 1.2627 1.2998 1.3414 1.3608 1.4485 1.4599 1.5095 1.5125 1.7278 1.7286 1.7818 1.7926 1.8351 1.8448 2.9573 2.9603 3.0407 3.0494 5.0064 5.0303 5.2389 5.3165 5.8620 5.9072 6.1693 6.1830 6.9220 6.9332 7.0730 7.0852 7.1943 7.2274 8.0432 8.0485 10.0844 10.0991 10.1376 10.1657 11.1344 11.2236 11.2548 11.3645 k = 0.0833 0.0481-0.0000 ( 5045 PWs) bands (ev): -6.1921 -6.1912 -5.4179 -5.4155 -5.4053 -5.4037 -0.6694 -0.6681 -0.6387 -0.6238 -0.3895 -0.3519 -0.1750 -0.1710 -0.1015 -0.0993 -0.0773 -0.0708 0.6997 0.7040 0.7866 0.8219 1.2629 1.3056 1.3424 1.3647 1.4467 1.4613 1.5116 1.5159 1.7264 1.7276 1.7820 1.7948 1.8351 1.8465 2.9596 2.9642 3.0466 3.0557 4.9084 4.9270 5.2114 5.2890 5.8548 5.9035 6.1899 6.2096 6.8765 6.8941 7.0439 7.0572 7.1848 7.2201 8.0807 8.0839 10.1188 10.1375 10.1897 10.2193 11.0730 11.1789 11.2150 11.3497 k = 0.0952 0.0550-0.0000 ( 5045 PWs) bands (ev): -6.1826 -6.1816 -5.4165 -5.4138 -5.4023 -5.4003 -0.6691 -0.6672 -0.6397 -0.6225 -0.3864 -0.3444 -0.1737 -0.1689 -0.1020 -0.0990 -0.0764 -0.0690 0.6996 0.7058 0.7881 0.8277 1.2638 1.3117 1.3440 1.3688 1.4449 1.4630 1.5138 1.5198 1.7249 1.7265 1.7822 1.7971 1.8353 1.8485 2.9613 2.9681 3.0539 3.0631 4.8080 4.8229 5.1810 5.2597 5.8461 5.8977 6.1985 6.2252 6.8217 6.8477 7.0134 7.0273 7.1771 7.2138 8.1268 8.1304 10.1479 10.1742 10.2414 10.2708 11.0157 11.1312 11.1874 11.3398 k = 0.1071 0.0619-0.0000 ( 5045 PWs) bands (ev): -6.1720 -6.1708 -5.4151 -5.4121 -5.3989 -5.3964 -0.6688 -0.6662 -0.6407 -0.6213 -0.3824 -0.3364 -0.1723 -0.1667 -0.1025 -0.0986 -0.0753 -0.0671 0.6994 0.7077 0.7901 0.8338 1.2651 1.3180 1.3460 1.3731 1.4429 1.4652 1.5161 1.5240 1.7233 1.7254 1.7824 1.7996 1.8356 1.8509 2.9624 2.9717 3.0626 3.0716 4.7070 4.7190 5.1482 5.2284 5.8361 5.8900 6.1950 6.2297 6.7583 6.7936 6.9825 6.9971 7.1704 7.2082 8.1814 8.1878 10.1677 10.2038 10.2896 10.3179 10.9650 11.0828 11.1778 11.3388 k = 0.1190 0.0687-0.0000 ( 5037 PWs) bands (ev): -6.1602 -6.1588 -5.4136 -5.4104 -5.3950 -5.3921 -0.6684 -0.6650 -0.6417 -0.6199 -0.3778 -0.3282 -0.1708 -0.1643 -0.1030 -0.0980 -0.0741 -0.0650 0.6991 0.7097 0.7925 0.8401 1.2671 1.3243 1.3486 1.3776 1.4410 1.4678 1.5185 1.5285 1.7217 1.7242 1.7826 1.8023 1.8362 1.8535 2.9626 2.9747 3.0727 3.0812 4.6062 4.6159 5.1136 5.1951 5.8248 5.8807 6.1803 6.2240 6.6875 6.7324 6.9517 6.9673 7.1637 7.2028 8.2446 8.2545 10.1747 10.2194 10.3328 10.3603 10.9218 11.0356 11.1911 11.3511 k = 0.1310 0.0756-0.0000 ( 5035 PWs) bands (ev): -6.1473 -6.1458 -5.4121 -5.4087 -5.3906 -5.3873 -0.6680 -0.6636 -0.6425 -0.6184 -0.3725 -0.3196 -0.1692 -0.1617 -0.1033 -0.0973 -0.0729 -0.0627 0.6986 0.7117 0.7954 0.8465 1.2696 1.3307 1.3518 1.3821 1.4390 1.4707 1.5210 1.5332 1.7201 1.7231 1.7826 1.8051 1.8370 1.8565 2.9618 2.9769 3.0839 3.0920 4.5065 4.5142 5.0775 5.1602 5.8123 5.8696 6.1555 6.2092 6.6110 6.6651 6.9214 6.9379 7.1565 7.1967 8.3154 8.3288 10.1669 10.2162 10.3708 10.3976 10.8853 10.9910 11.2290 11.3805 k = 0.1429 0.0825-0.0000 ( 5041 PWs) bands (ev): -6.1333 -6.1317 -5.4106 -5.4070 -5.3858 -5.3821 -0.6674 -0.6620 -0.6432 -0.6169 -0.3665 -0.3108 -0.1675 -0.1589 -0.1036 -0.0965 -0.0715 -0.0601 0.6980 0.7138 0.7987 0.8532 1.2727 1.3369 1.3559 1.3865 1.4371 1.4740 1.5236 1.5381 1.7185 1.7219 1.7825 1.8081 1.8379 1.8598 2.9599 2.9781 3.0961 3.1037 4.4084 4.4143 5.0407 5.1241 5.7985 5.8567 6.1221 6.1863 6.5303 6.5934 6.8913 6.9090 7.1480 7.1895 8.3921 8.4091 10.1454 10.1948 10.4027 10.4282 10.8539 10.9502 11.2896 11.4286 k = 0.1548 0.0894-0.0000 ( 5033 PWs) bands (ev): -6.1184 -6.1166 -5.4091 -5.4053 -5.3807 -5.3766 -0.6667 -0.6602 -0.6438 -0.6153 -0.3600 -0.3019 -0.1659 -0.1559 -0.1036 -0.0955 -0.0700 -0.0573 0.6972 0.7157 0.8023 0.8599 1.2764 1.3427 1.3609 1.3910 1.4353 1.4777 1.5264 1.5431 1.7170 1.7207 1.7823 1.8112 1.8392 1.8633 2.9566 2.9779 3.1090 3.1163 4.3125 4.3167 5.0038 5.0874 5.7830 5.8422 6.0809 6.1562 6.4473 6.5190 6.8616 6.8804 7.1378 7.1804 8.4727 8.4935 10.1133 10.1598 10.4264 10.4504 10.8269 10.9140 11.3684 11.4944 k = 0.1667 0.0962-0.0000 ( 5029 PWs) bands (ev): -6.1025 -6.1006 -5.4077 -5.4037 -5.3751 -5.3708 -0.6658 -0.6583 -0.6442 -0.6135 -0.3530 -0.2930 -0.1642 -0.1528 -0.1033 -0.0944 -0.0685 -0.0541 0.6963 0.7175 0.8063 0.8667 1.2807 1.3480 1.3670 1.3952 1.4336 1.4814 1.5296 1.5482 1.7157 1.7196 1.7820 1.8143 1.8407 1.8672 2.9519 2.9763 3.1222 3.1295 4.2192 4.2219 4.9674 5.0506 5.7655 5.8258 6.0326 6.1190 6.3645 6.4440 6.8322 6.8521 7.1256 7.1690 8.5553 8.5799 10.0746 10.1170 10.4395 10.4624 10.8046 10.8827 11.4606 11.5743 k = 0.1786 0.1031-0.0000 ( 5029 PWs) bands (ev): -6.0857 -6.0837 -5.4063 -5.4021 -5.3693 -5.3647 -0.6648 -0.6562 -0.6444 -0.6116 -0.3456 -0.2843 -0.1625 -0.1495 -0.1028 -0.0932 -0.0668 -0.0506 0.6952 0.7190 0.8105 0.8735 1.2856 1.3529 1.3740 1.3992 1.4321 1.4852 1.5332 1.5533 1.7144 1.7185 1.7817 1.8176 1.8425 1.8713 2.9456 2.9729 3.1355 3.1430 4.1287 4.1306 4.9324 5.0145 5.7455 5.8076 5.9775 6.0740 6.2847 6.3706 6.8030 6.8242 7.1111 7.1550 8.6375 8.6663 10.0329 10.0714 10.4400 10.4633 10.7873 10.8561 11.5613 11.6638 k = 0.1905 0.1100-0.0000 ( 5029 PWs) bands (ev): -6.0681 -6.0659 -5.4049 -5.4006 -5.3631 -5.3584 -0.6636 -0.6541 -0.6442 -0.6097 -0.3380 -0.2757 -0.1609 -0.1461 -0.1018 -0.0918 -0.0648 -0.0466 0.6940 0.7203 0.8148 0.8803 1.2910 1.3574 1.3820 1.4028 1.4311 1.4888 1.5374 1.5584 1.7134 1.7174 1.7813 1.8208 1.8446 1.8756 2.9375 2.9677 3.1484 3.1566 4.0411 4.0438 4.8992 4.9796 5.7222 5.7874 5.9159 6.0195 6.2118 6.3009 6.7740 6.7965 7.0942 7.1383 8.7170 8.7503 9.9911 10.0273 10.4283 10.4536 10.7737 10.8336 11.6666 11.7570 k = 0.2024 0.1168-0.0000 ( 5033 PWs) bands (ev): -6.0498 -6.0474 -5.4036 -5.3992 -5.3568 -5.3518 -0.6623 -0.6522 -0.6436 -0.6076 -0.3301 -0.2675 -0.1594 -0.1426 -0.1003 -0.0904 -0.0627 -0.0422 0.6928 0.7212 0.8193 0.8869 1.2970 1.3618 1.3906 1.4058 1.4305 1.4921 1.5425 1.5634 1.7126 1.7165 1.7809 1.8242 1.8471 1.8800 2.9275 2.9606 3.1602 3.1698 3.9573 3.9616 4.8685 4.9464 5.6942 5.7650 5.8482 5.9552 6.1483 6.2370 6.7453 6.7692 7.0749 7.1188 8.7916 8.8295 9.9512 9.9878 10.4064 10.4349 10.7606 10.8143 11.7723 11.8466 k = 0.2143 0.1237-0.0000 ( 5045 PWs) bands (ev): -6.0307 -6.0282 -5.4025 -5.3979 -5.3502 -5.3451 -0.6608 -0.6506 -0.6422 -0.6054 -0.3223 -0.2598 -0.1580 -0.1391 -0.0982 -0.0888 -0.0601 -0.0373 0.6914 0.7218 0.8239 0.8934 1.3035 1.3661 1.3997 1.4081 1.4306 1.4949 1.5484 1.5683 1.7121 1.7157 1.7805 1.8276 1.8498 1.8844 2.9154 2.9513 3.1703 3.1819 3.8784 3.8846 4.8408 4.9154 5.6590 5.7387 5.7765 5.8843 6.0943 6.1802 6.7170 6.7422 7.0531 7.0965 8.8592 8.9016 9.9150 9.9549 10.3777 10.4091 10.7444 10.7974 11.8737 11.9232 k = 0.2262 0.1306-0.0000 ( 5031 PWs) bands (ev): -6.0111 -6.0085 -5.4015 -5.3967 -5.3435 -5.3383 -0.6592 -0.6495 -0.6401 -0.6031 -0.3144 -0.2527 -0.1568 -0.1358 -0.0956 -0.0872 -0.0570 -0.0318 0.6900 0.7219 0.8285 0.8996 1.3103 1.3703 1.4086 1.4101 1.4317 1.4973 1.5551 1.5731 1.7118 1.7152 1.7803 1.8312 1.8528 1.8889 2.9012 2.9400 3.1777 3.1923 3.8054 3.8133 4.8164 4.8870 5.6126 5.6891 5.7217 5.8137 6.0477 6.1310 6.6891 6.7157 7.0291 7.0715 8.9178 8.9640 9.8843 9.9289 10.3451 10.3781 10.7232 10.7813 11.9623 11.9799 k = 0.2381 0.1375-0.0000 ( 5015 PWs) bands (ev): -5.9909 -5.9881 -5.4006 -5.3957 -5.3366 -5.3314 -0.6574 -0.6486 -0.6374 -0.6007 -0.3068 -0.2463 -0.1556 -0.1326 -0.0926 -0.0855 -0.0531 -0.0257 0.6885 0.7217 0.8330 0.9054 1.3174 1.3745 1.4102 1.4186 1.4340 1.4994 1.5626 1.5779 1.7119 1.7149 1.7801 1.8351 1.8560 1.8934 2.8848 2.9266 3.1813 3.1999 3.7394 3.7491 4.7957 4.8612 5.5508 5.6110 5.6897 5.7515 6.0065 6.0888 6.6616 6.6898 7.0028 7.0441 8.9661 9.0148 9.8600 9.9090 10.3107 10.3438 10.6976 10.7645 12.0010 12.0444 k = 0.2500 0.1443-0.0000 ( 5009 PWs) bands (ev): -5.9703 -5.9674 -5.3999 -5.3949 -5.3297 -5.3244 -0.6555 -0.6479 -0.6343 -0.5982 -0.2996 -0.2407 -0.1547 -0.1296 -0.0894 -0.0838 -0.0483 -0.0189 0.6869 0.7210 0.8373 0.9109 1.3246 1.3785 1.4103 1.4268 1.4382 1.5013 1.5704 1.5825 1.7122 1.7153 1.7802 1.8393 1.8593 1.8977 2.8664 2.9111 3.1795 3.2034 3.6817 3.6931 4.7785 4.8380 5.4744 5.5271 5.6575 5.7013 5.9700 6.0528 6.6347 6.6643 6.9746 7.0145 9.0036 9.0527 9.8420 9.8935 10.2758 10.3075 10.6693 10.7457 12.0126 12.0952 k = 0.2619 0.1512-0.0000 ( 5011 PWs) bands (ev): -5.9494 -5.9463 -5.3994 -5.3944 -5.3227 -5.3174 -0.6535 -0.6471 -0.6309 -0.5956 -0.2928 -0.2358 -0.1538 -0.1269 -0.0863 -0.0819 -0.0422 -0.0113 0.6853 0.7200 0.8414 0.9159 1.3317 1.3824 1.4101 1.4324 1.4455 1.5034 1.5780 1.5874 1.7128 1.7165 1.7805 1.8440 1.8627 1.9019 2.8460 2.8939 3.1709 3.2015 3.6335 3.6469 4.7648 4.8171 5.3891 5.4397 5.6240 5.6602 5.9378 6.0219 6.6084 6.6394 6.9447 6.9830 9.0306 9.0775 9.8286 9.8799 10.2409 10.2704 10.6404 10.7248 12.0165 12.1250 k = 0.2738 0.1581-0.0000 ( 5011 PWs) bands (ev): -5.9282 -5.9250 -5.3991 -5.3940 -5.3158 -5.3105 -0.6513 -0.6463 -0.6272 -0.5929 -0.2865 -0.2317 -0.1531 -0.1245 -0.0837 -0.0799 -0.0348 -0.0030 0.6837 0.7185 0.8453 0.9203 1.3383 1.3861 1.4098 1.4360 1.4548 1.5059 1.5846 1.5928 1.7137 1.7190 1.7812 1.8493 1.8660 1.9059 2.8240 2.8750 3.1546 3.1927 3.5959 3.6115 4.7541 4.7978 5.3002 5.3510 5.5900 5.6234 5.9098 5.9951 6.5829 6.6152 6.9134 6.9501 9.0479 9.0901 9.8170 9.8658 10.2060 10.2329 10.6131 10.7022 12.0202 12.1444 k = 0.2857 0.1650-0.0000 ( 5019 PWs) bands (ev): -5.9068 -5.9035 -5.3990 -5.3939 -5.3089 -5.3037 -0.6492 -0.6453 -0.6234 -0.5902 -0.2809 -0.2283 -0.1524 -0.1224 -0.0817 -0.0778 -0.0260 0.0060 0.6821 0.7168 0.8489 0.9242 1.3442 1.3894 1.4097 1.4387 1.4647 1.5091 1.5897 1.5986 1.7148 1.7232 1.7824 1.8553 1.8695 1.9097 2.8007 2.8549 3.1305 3.1764 3.5692 3.5870 4.7456 4.7790 5.2108 5.2637 5.5562 5.5883 5.8860 5.9720 6.5581 6.5918 6.8810 6.9160 9.0570 9.0922 9.8035 9.8497 10.1709 10.1956 10.5888 10.6786 12.0280 12.1627 k = 0.2976 0.1718-0.0000 ( 5023 PWs) bands (ev): -5.8854 -5.8819 -5.3992 -5.3940 -5.3021 -5.2970 -0.6471 -0.6442 -0.6194 -0.5874 -0.2760 -0.2256 -0.1518 -0.1205 -0.0800 -0.0759 -0.0160 0.0157 0.6805 0.7146 0.8522 0.9274 1.3490 1.3922 1.4101 1.4408 1.4744 1.5134 1.5939 1.6041 1.7162 1.7291 1.7845 1.8618 1.8732 1.9133 2.7765 2.8338 3.0997 3.1529 3.5524 3.5723 4.7381 4.7591 5.1233 5.1803 5.5232 5.5539 5.8663 5.9522 6.5342 6.5690 6.8480 6.8813 9.0591 9.0856 9.7849 9.8313 10.1353 10.1585 10.5681 10.6547 12.0422 12.1852 k = 0.3095 0.1787-0.0000 ( 5029 PWs) bands (ev): -5.8640 -5.8604 -5.3997 -5.3945 -5.2954 -5.2904 -0.6452 -0.6427 -0.6153 -0.5846 -0.2718 -0.2235 -0.1511 -0.1189 -0.0787 -0.0743 -0.0050 0.0260 0.6789 0.7122 0.8552 0.9299 1.3525 1.3944 1.4110 1.4425 1.4836 1.5188 1.5975 1.6082 1.7180 1.7367 1.7881 1.8682 1.8781 1.9167 2.7521 2.8122 3.0643 3.1238 3.5437 3.5651 4.7298 4.7361 5.0403 5.1035 5.4910 5.5202 5.8506 5.9356 6.5113 6.5471 6.8147 6.8463 9.0552 9.0722 9.7592 9.8108 10.0992 10.1215 10.5507 10.6309 12.0638 12.2145 k = 0.3214 0.1856-0.0000 ( 5029 PWs) bands (ev): -5.8428 -5.8391 -5.4005 -5.3952 -5.2889 -5.2841 -0.6435 -0.6409 -0.6112 -0.5818 -0.2682 -0.2220 -0.1505 -0.1175 -0.0776 -0.0731 0.0067 0.0368 0.6774 0.7096 0.8578 0.9317 1.3545 1.3961 1.4126 1.4436 1.4921 1.5253 1.6009 1.6105 1.7201 1.7450 1.7943 1.8733 1.8855 1.9200 2.7278 2.7903 3.0263 3.0908 3.5406 3.5631 4.7072 4.7179 4.9651 5.0361 5.4600 5.4872 5.8388 5.9221 6.4895 6.5261 6.7814 6.8115 9.0459 9.0535 9.7271 9.7884 10.0632 10.0849 10.5353 10.6074 12.0923 12.2514 k = 0.3333 0.1925-0.0000 ( 5029 PWs) bands (ev): -5.8218 -5.8180 -5.4015 -5.3963 -5.2827 -5.2780 -0.6420 -0.6388 -0.6069 -0.5790 -0.2652 -0.2210 -0.1499 -0.1163 -0.0767 -0.0721 0.0189 0.0479 0.6760 0.7067 0.8602 0.9327 1.3550 1.3971 1.4147 1.4441 1.4999 1.5326 1.6039 1.6112 1.7225 1.7526 1.8043 1.8772 1.8952 1.9237 2.7042 2.7687 2.9872 3.0558 3.5407 3.5641 4.6707 4.6975 4.9026 4.9806 5.4302 5.4552 5.8311 5.9119 6.4687 6.5060 6.7485 6.7771 9.0283 9.0334 9.6909 9.7638 10.0277 10.0490 10.5205 10.5840 12.1263 12.2956 k = 0.3452 0.1993-0.0000 ( 5031 PWs) bands (ev): -5.8012 -5.7973 -5.4029 -5.3977 -5.2767 -5.2722 -0.6405 -0.6367 -0.6026 -0.5762 -0.2628 -0.2205 -0.1492 -0.1153 -0.0759 -0.0715 0.0314 0.0591 0.6746 0.7038 0.8622 0.9329 1.3542 1.3976 1.4171 1.4442 1.5070 1.5405 1.6064 1.6108 1.7253 1.7582 1.8187 1.8808 1.9057 1.9290 2.6817 2.7475 2.9486 3.0201 3.5421 3.5662 4.6264 4.6646 4.8574 4.9372 5.4019 5.4246 5.8274 5.9050 6.4493 6.4869 6.7164 6.7435 9.0011 9.0139 9.6531 9.7375 9.9934 10.0144 10.5054 10.5609 12.1635 12.3456 k = 0.3571 0.2062-0.0000 ( 5031 PWs) bands (ev): -5.7811 -5.7772 -5.4046 -5.3993 -5.2709 -5.2667 -0.6390 -0.6346 -0.5983 -0.5734 -0.2609 -0.2205 -0.1484 -0.1146 -0.0753 -0.0711 0.0439 0.0702 0.6734 0.7007 0.8641 0.9324 1.3525 1.3974 1.4197 1.4438 1.5133 1.5484 1.6064 1.6116 1.7282 1.7620 1.8362 1.8852 1.9142 1.9385 2.6608 2.7271 2.9112 2.9846 3.5430 3.5679 4.5769 4.6203 4.8286 4.9038 5.3752 5.3955 5.8278 5.9015 6.4312 6.4688 6.6854 6.7111 8.9699 8.9901 9.6161 9.7105 9.9608 9.9815 10.4893 10.5378 12.2013 12.3991 k = 0.3690 0.2131-0.0000 ( 5027 PWs) bands (ev): -5.7616 -5.7576 -5.4065 -5.4014 -5.2655 -5.2616 -0.6375 -0.6326 -0.5940 -0.5708 -0.2592 -0.2209 -0.1475 -0.1141 -0.0748 -0.0709 0.0563 0.0811 0.6723 0.6976 0.8658 0.9311 1.3501 1.3965 1.4223 1.4432 1.5189 1.5563 1.6037 1.6138 1.7314 1.7643 1.8536 1.8920 1.9203 1.9535 2.6417 2.7079 2.8756 2.9498 3.5421 3.5677 4.5262 4.5711 4.8099 4.8774 5.3502 5.3682 5.8323 5.9015 6.4145 6.4519 6.6556 6.6800 8.9357 8.9614 9.5821 9.6836 9.9304 9.9506 10.4723 10.5149 12.2371 12.4529 k = 0.3810 0.2199-0.0000 ( 5034 PWs) bands (ev): -5.7429 -5.7389 -5.4087 -5.4037 -5.2605 -5.2568 -0.6360 -0.6307 -0.5898 -0.5683 -0.2579 -0.2216 -0.1465 -0.1140 -0.0744 -0.0710 0.0684 0.0916 0.6713 0.6945 0.8673 0.9291 1.3473 1.3947 1.4248 1.4423 1.5239 1.5637 1.6000 1.6161 1.7348 1.7658 1.8662 1.9020 1.9282 1.9725 2.6247 2.6899 2.8422 2.9163 3.5384 3.5646 4.4781 4.5234 4.7955 4.8549 5.3270 5.3427 5.8406 5.9049 6.3993 6.4362 6.6273 6.6504 8.8990 8.9283 9.5525 9.6578 9.9024 9.9220 10.4546 10.4925 12.2692 12.5013 k = 0.3929 0.2268-0.0000 ( 5042 PWs) bands (ev): -5.7250 -5.7211 -5.4112 -5.4063 -5.2558 -5.2524 -0.6345 -0.6290 -0.5856 -0.5659 -0.2567 -0.2228 -0.1453 -0.1141 -0.0742 -0.0711 0.0801 0.1015 0.6705 0.6915 0.8688 0.9265 1.3446 1.3921 1.4272 1.4414 1.5283 1.5706 1.5959 1.6180 1.7382 1.7668 1.8732 1.9091 1.9455 1.9942 2.6098 2.6734 2.8113 2.8842 3.5312 3.5577 4.4354 4.4807 4.7822 4.8345 5.3057 5.3193 5.8524 5.9114 6.3859 6.4217 6.6007 6.6224 8.8607 8.8915 9.5282 9.6337 9.8769 9.8958 10.4368 10.4707 12.2967 12.5233 k = 0.4048 0.2337-0.0000 ( 5036 PWs) bands (ev): -5.7082 -5.7044 -5.4139 -5.4091 -5.2516 -5.2485 -0.6329 -0.6275 -0.5816 -0.5638 -0.2556 -0.2242 -0.1440 -0.1145 -0.0740 -0.0714 0.0911 0.1106 0.6698 0.6885 0.8703 0.9232 1.3421 1.3886 1.4294 1.4406 1.5322 1.5767 1.5919 1.6194 1.7415 1.7673 1.8773 1.9113 1.9710 2.0177 2.5972 2.6584 2.7830 2.8538 3.5204 3.5467 4.4002 4.4450 4.7687 4.8149 5.2863 5.2979 5.8671 5.9205 6.3741 6.4086 6.5759 6.5963 8.8219 8.8523 9.5094 9.6115 9.8542 9.8720 10.4194 10.4498 12.3197 12.5191 k = 0.4167 0.2406-0.0000 ( 5026 PWs) bands (ev): -5.6926 -5.6890 -5.4166 -5.4122 -5.2478 -5.2450 -0.6314 -0.6262 -0.5777 -0.5619 -0.2544 -0.2260 -0.1426 -0.1153 -0.0739 -0.0717 0.1013 0.1188 0.6694 0.6858 0.8719 0.9195 1.3400 1.3843 1.4314 1.4399 1.5357 1.5808 1.5892 1.6203 1.7448 1.7676 1.8803 1.9113 1.9998 2.0422 2.5868 2.6448 2.7576 2.8251 3.5063 3.5317 4.3733 4.4167 4.7545 4.7956 5.2690 5.2787 5.8839 5.9315 6.3643 6.3969 6.5531 6.5721 8.7837 8.8122 9.4959 9.5916 9.8343 9.8508 10.4031 10.4301 12.3389 12.5104 k = 0.4286 0.2474-0.0000 ( 5026 PWs) bands (ev): -5.6784 -5.6750 -5.4194 -5.4153 -5.2444 -5.2420 -0.6300 -0.6252 -0.5741 -0.5603 -0.2532 -0.2280 -0.1409 -0.1163 -0.0738 -0.0720 0.1107 0.1260 0.6691 0.6832 0.8736 0.9154 1.3386 1.3794 1.4331 1.4394 1.5390 1.5799 1.5911 1.6207 1.7479 1.7675 1.8828 1.9103 2.0295 2.0667 2.5786 2.6326 2.7352 2.7984 3.4898 3.5136 4.3546 4.3957 4.7400 4.7766 5.2538 5.2617 5.9021 5.9436 6.3564 6.3866 6.5326 6.5500 8.7474 8.7729 9.4871 9.5737 9.8172 9.8321 10.3882 10.4120 12.3551 12.5001 k = 0.4405 0.2543-0.0000 ( 5024 PWs) bands (ev): -5.6657 -5.6626 -5.4221 -5.4184 -5.2415 -5.2395 -0.6286 -0.6244 -0.5707 -0.5591 -0.2519 -0.2303 -0.1391 -0.1177 -0.0738 -0.0724 0.1190 0.1320 0.6690 0.6808 0.8755 0.9110 1.3379 1.3740 1.4346 1.4390 1.5421 1.5762 1.5953 1.6205 1.7509 1.7672 1.8852 1.9088 2.0585 2.0903 2.5726 2.6215 2.7164 2.7737 3.4723 3.4937 4.3434 4.3809 4.7258 4.7580 5.2407 5.2470 5.9205 5.9558 6.3505 6.3778 6.5144 6.5300 8.7142 8.7361 9.4823 9.5577 9.8030 9.8160 10.3754 10.3957 12.3693 12.4890 k = 0.4524 0.2612-0.0000 ( 5016 PWs) bands (ev): -5.6548 -5.6522 -5.4245 -5.4214 -5.2390 -5.2374 -0.6274 -0.6238 -0.5677 -0.5583 -0.2504 -0.2326 -0.1371 -0.1194 -0.0738 -0.0727 0.1262 0.1368 0.6692 0.6786 0.8776 0.9066 1.3381 1.3683 1.4358 1.4388 1.5451 1.5722 1.5995 1.6198 1.7536 1.7667 1.8876 1.9068 2.0856 2.1117 2.5687 2.6112 2.7016 2.7512 3.4555 3.4736 4.3384 4.3709 4.7129 4.7402 5.2299 5.2348 5.9382 5.9670 6.3467 6.3702 6.4990 6.5125 8.6856 8.7034 9.4810 9.5434 9.7916 9.8024 10.3649 10.3815 12.3821 12.4773 k = 0.4643 0.2681-0.0000 ( 5020 PWs) bands (ev): -5.6460 -5.6438 -5.4265 -5.4241 -5.2371 -5.2359 -0.6263 -0.6234 -0.5650 -0.5579 -0.2487 -0.2351 -0.1350 -0.1213 -0.0738 -0.0729 0.1323 0.1403 0.6695 0.6766 0.8801 0.9021 1.3392 1.3627 1.4367 1.4387 1.5481 1.5683 1.6034 1.6186 1.7561 1.7659 1.8899 1.9046 2.1094 2.1295 2.5671 2.6014 2.6914 2.7313 3.4408 3.4550 4.3381 4.3642 4.7024 4.7241 5.2215 5.2250 5.9542 5.9762 6.3450 6.3638 6.4868 6.4977 8.6625 8.6759 9.4826 9.5306 9.7831 9.7915 10.3570 10.3697 12.3941 12.4653 k = 0.4762 0.2749-0.0000 ( 4998 PWs) bands (ev): -5.6393 -5.6378 -5.4280 -5.4263 -5.2356 -5.2348 -0.6253 -0.6234 -0.5627 -0.5579 -0.2468 -0.2376 -0.1327 -0.1234 -0.0738 -0.0732 0.1370 0.1424 0.6701 0.6749 0.8829 0.8977 1.3412 1.3572 1.4374 1.4386 1.5512 1.5645 1.6069 1.6170 1.7584 1.7649 1.8924 1.9023 2.1288 2.1424 2.5679 2.5920 2.6862 2.7144 3.4300 3.4397 4.3409 4.3592 4.6952 4.7105 5.2156 5.2179 5.9675 5.9824 6.3451 6.3584 6.4782 6.4860 8.6459 8.6549 9.4865 9.5191 9.7775 9.7833 10.3519 10.3605 12.4059 12.4532 k = 0.4881 0.2818-0.0000 ( 4992 PWs) bands (ev): -5.6350 -5.6343 -5.4288 -5.4279 -5.2347 -5.2342 -0.6245 -0.6235 -0.5608 -0.5584 -0.2447 -0.2401 -0.1304 -0.1257 -0.0737 -0.0734 0.1405 0.1432 0.6710 0.6733 0.8861 0.8935 1.3440 1.3522 1.4379 1.4384 1.5543 1.5610 1.6100 1.6151 1.7604 1.7636 1.8948 1.8998 2.1423 2.1493 2.5709 2.5834 2.6863 2.7009 3.4240 3.4290 4.3453 4.3548 4.6922 4.7001 5.2122 5.2133 5.9774 5.9849 6.3468 6.3537 6.4738 6.4778 8.6366 8.6411 9.4924 9.5088 9.7747 9.7777 10.3496 10.3540 12.4175 12.4412 k = 0.5000 0.2887-0.0000 ( 5006 PWs) bands (ev): -5.6333 -5.6333 -5.4287 -5.4287 -5.2342 -5.2342 -0.6239 -0.6239 -0.5593 -0.5593 -0.2425 -0.2425 -0.1280 -0.1280 -0.0735 -0.0735 0.1425 0.1425 0.6720 0.6720 0.8896 0.8896 1.3478 1.3478 1.4382 1.4382 1.5575 1.5575 1.6127 1.6127 1.7621 1.7621 1.8973 1.8973 2.1493 2.1493 2.5762 2.5762 2.6913 2.6913 3.4236 3.4236 4.3501 4.3501 4.6939 4.6939 5.2114 5.2114 5.9832 5.9832 6.3498 6.3498 6.4737 6.4737 8.6349 8.6349 9.4999 9.4999 9.7748 9.7748 10.3503 10.3503 12.4293 12.4293 k = 0.5000 0.2887-0.0000 ( 5006 PWs) bands (ev): -5.6333 -5.6333 -5.4287 -5.4287 -5.2342 -5.2342 -0.6239 -0.6239 -0.5593 -0.5593 -0.2425 -0.2425 -0.1280 -0.1280 -0.0735 -0.0735 0.1425 0.1425 0.6720 0.6720 0.8896 0.8896 1.3478 1.3478 1.4382 1.4382 1.5575 1.5575 1.6127 1.6127 1.7621 1.7621 1.8973 1.8973 2.1493 2.1493 2.5762 2.5762 2.6913 2.6913 3.4236 3.4236 4.3501 4.3501 4.6939 4.6939 5.2114 5.2114 5.9832 5.9832 6.3498 6.3498 6.4737 6.4737 8.6349 8.6349 9.4999 9.4999 9.7748 9.7748 10.3503 10.3503 12.4293 12.4293 k = 0.4933 0.3002-0.0000 ( 5002 PWs) bands (ev): -5.6331 -5.6331 -5.4286 -5.4283 -5.2346 -5.2342 -0.6248 -0.6230 -0.5608 -0.5580 -0.2428 -0.2412 -0.1304 -0.1256 -0.0763 -0.0706 0.1417 0.1427 0.6701 0.6744 0.8881 0.8914 1.3473 1.3485 1.4373 1.4391 1.5566 1.5592 1.6122 1.6134 1.7610 1.7634 1.8961 1.8981 2.1482 2.1493 2.5767 2.5768 2.6904 2.6934 3.4247 3.4256 4.3376 4.3387 4.6933 4.6992 5.2158 5.2246 5.9804 5.9841 6.3447 6.3450 6.4654 6.4730 8.6326 8.6402 9.5049 9.5111 9.7727 9.7774 10.3454 10.3655 12.4174 12.4211 k = 0.4867 0.3118-0.0000 ( 5000 PWs) bands (ev): -5.6323 -5.6322 -5.4281 -5.4275 -5.2353 -5.2345 -0.6256 -0.6222 -0.5624 -0.5568 -0.2421 -0.2389 -0.1327 -0.1231 -0.0786 -0.0674 0.1403 0.1424 0.6687 0.6773 0.8867 0.8932 1.3473 1.3497 1.4363 1.4398 1.5563 1.5614 1.6121 1.6144 1.7599 1.7648 1.8943 1.8985 2.1459 2.1481 2.5783 2.5785 2.6907 2.6966 3.4291 3.4308 4.3032 4.3058 4.6969 4.7072 5.2368 5.2535 5.9755 5.9830 6.3300 6.3305 6.4489 6.4636 8.6334 8.6481 9.5253 9.5383 9.7705 9.7801 10.3514 10.3910 12.3837 12.3945 k = 0.4800 0.3233-0.0000 ( 4996 PWs) bands (ev): -5.6310 -5.6309 -5.4271 -5.4262 -5.2363 -5.2352 -0.6265 -0.6213 -0.5642 -0.5558 -0.2405 -0.2358 -0.1348 -0.1206 -0.0806 -0.0640 0.1384 0.1415 0.6677 0.6806 0.8856 0.8952 1.3477 1.3511 1.4353 1.4405 1.5569 1.5640 1.6123 1.6154 1.7590 1.7663 1.8921 1.8984 2.1425 2.1458 2.5809 2.5813 2.6922 2.7009 3.4365 3.4390 4.2519 4.2564 4.7029 4.7154 5.2713 5.2945 5.9683 5.9798 6.3067 6.3068 6.4256 6.4465 8.6374 8.6587 9.5594 9.5801 9.7671 9.7827 10.3697 10.4273 12.3286 12.3504 k = 0.4733 0.3349-0.0000 ( 4998 PWs) bands (ev): -5.6292 -5.6290 -5.4256 -5.4244 -5.2377 -5.2362 -0.6273 -0.6205 -0.5661 -0.5548 -0.2380 -0.2317 -0.1368 -0.1184 -0.0821 -0.0605 0.1359 0.1400 0.6671 0.6844 0.8847 0.8972 1.3484 1.3529 1.4343 1.4410 1.5581 1.5670 1.6130 1.6166 1.7582 1.7680 1.8893 1.8980 2.1380 2.1424 2.5847 2.5852 2.6949 2.7063 3.4471 3.4502 4.1893 4.1957 4.7093 4.7225 5.3146 5.3431 5.9586 5.9744 6.2748 6.2762 6.3975 6.4233 8.6447 8.6718 9.6026 9.6340 9.7622 9.7859 10.4016 10.4754 12.2559 12.2904 k = 0.4667 0.3464-0.0000 ( 5002 PWs) bands (ev): -5.6268 -5.6266 -5.4237 -5.4222 -5.2395 -5.2375 -0.6281 -0.6196 -0.5681 -0.5540 -0.2345 -0.2268 -0.1385 -0.1165 -0.0829 -0.0568 0.1329 0.1379 0.6670 0.6885 0.8841 0.8994 1.3495 1.3549 1.4334 1.4416 1.5601 1.5700 1.6142 1.6179 1.7576 1.7698 1.8862 1.8973 2.1324 2.1378 2.5897 2.5901 2.6988 2.7128 3.4605 3.4642 4.1194 4.1275 4.7150 4.7278 5.3619 5.3949 5.9460 5.9666 6.2362 6.2402 6.3671 6.3962 8.6554 8.6874 9.6444 9.6913 9.7613 9.7969 10.4481 10.5355 12.1707 12.2172 k = 0.4600 0.3580-0.0000 ( 5006 PWs) bands (ev): -5.6240 -5.6238 -5.4214 -5.4196 -5.2416 -5.2392 -0.6289 -0.6188 -0.5702 -0.5533 -0.2302 -0.2212 -0.1399 -0.1151 -0.0830 -0.0530 0.1294 0.1352 0.6672 0.6931 0.8837 0.9015 1.3510 1.3572 1.4326 1.4422 1.5627 1.5729 1.6161 1.6192 1.7571 1.7717 1.8826 1.8963 2.1257 2.1322 2.5958 2.5962 2.7040 2.7204 3.4767 3.4808 4.0452 4.0548 4.7194 4.7310 5.4081 5.4453 5.9304 5.9565 6.1936 6.2015 6.3371 6.3675 8.6694 8.7054 9.6656 9.7114 9.8017 9.8316 10.5092 10.6077 12.0781 12.1345 k = 0.4533 0.3695-0.0000 ( 5014 PWs) bands (ev): -5.6208 -5.6205 -5.4186 -5.4166 -5.2440 -5.2413 -0.6296 -0.6179 -0.5723 -0.5526 -0.2250 -0.2148 -0.1411 -0.1142 -0.0823 -0.0492 0.1254 0.1319 0.6677 0.6980 0.8837 0.9036 1.3528 1.3597 1.4320 1.4428 1.5660 1.5754 1.6189 1.6205 1.7568 1.7738 1.8788 1.8952 2.1179 2.1255 2.6032 2.6035 2.7106 2.7292 3.4955 3.4997 3.9687 3.9794 4.7219 4.7319 5.4481 5.4892 5.9118 5.9441 6.1503 6.1639 6.3098 6.3395 8.6864 8.7257 9.6588 9.6955 9.8796 9.8949 10.5841 10.6914 11.9826 12.0465 k = 0.4467 0.3811-0.0000 ( 5018 PWs) bands (ev): -5.6171 -5.6168 -5.4155 -5.4131 -5.2467 -5.2437 -0.6303 -0.6170 -0.5746 -0.5521 -0.2191 -0.2078 -0.1420 -0.1140 -0.0806 -0.0453 0.1210 0.1281 0.6685 0.7031 0.8839 0.9058 1.3549 1.3622 1.4317 1.4437 1.5697 1.5775 1.6217 1.6225 1.7568 1.7760 1.8747 1.8941 2.1092 2.1177 2.6118 2.6119 2.7184 2.7392 3.5164 3.5208 3.8916 3.9030 4.7220 4.7301 5.4765 5.5212 5.8908 5.9295 6.1113 6.1322 6.2872 6.3140 8.7063 8.7484 9.6343 9.6695 9.9662 9.9738 10.6712 10.7854 11.8883 11.9575 k = 0.4400 0.3926-0.0000 ( 5018 PWs) bands (ev): -5.6131 -5.6127 -5.4120 -5.4093 -5.2498 -5.2464 -0.6309 -0.6161 -0.5768 -0.5516 -0.2125 -0.2004 -0.1426 -0.1144 -0.0783 -0.0414 0.1161 0.1237 0.6695 0.7084 0.8845 0.9078 1.3572 1.3649 1.4318 1.4448 1.5738 1.5789 1.6229 1.6269 1.7571 1.7784 1.8706 1.8928 2.0994 2.1089 2.6215 2.6217 2.7275 2.7502 3.5391 3.5437 3.8152 3.8268 4.7191 4.7252 5.4881 5.5353 5.8678 5.9117 6.0828 6.1122 6.2705 6.2923 8.7288 8.7733 9.6000 9.6379 10.0544 10.0581 10.7686 10.8885 11.7996 11.8719 k = 0.4333 0.4041-0.0000 ( 5026 PWs) bands (ev): -5.6087 -5.6083 -5.4081 -5.4052 -5.2532 -5.2494 -0.6315 -0.6152 -0.5791 -0.5512 -0.2053 -0.1926 -0.1427 -0.1151 -0.0754 -0.0375 0.1108 0.1188 0.6706 0.7140 0.8853 0.9098 1.3597 1.3675 1.4323 1.4462 1.5782 1.5797 1.6239 1.6320 1.7579 1.7808 1.8664 1.8916 2.0886 2.0991 2.6324 2.6329 2.7380 2.7625 3.5627 3.5679 3.7408 3.7516 4.7128 4.7167 5.4801 5.5279 5.8435 5.8897 6.0703 6.1083 6.2605 6.2751 8.7533 8.8002 9.5596 9.6027 10.1389 10.1405 10.8745 10.9993 11.7215 11.7946 k = 0.4267 0.4157-0.0000 ( 5018 PWs) bands (ev): -5.6040 -5.6036 -5.4039 -5.4007 -5.2569 -5.2528 -0.6320 -0.6142 -0.5813 -0.5508 -0.1976 -0.1847 -0.1422 -0.1161 -0.0720 -0.0337 0.1052 0.1133 0.6719 0.7196 0.8865 0.9116 1.3624 1.3701 1.4334 1.4481 1.5799 1.5829 1.6248 1.6376 1.7591 1.7834 1.8624 1.8904 2.0769 2.0882 2.6445 2.6454 2.7497 2.7759 3.5838 3.5926 3.6720 3.6786 4.7026 4.7042 5.4526 5.4994 5.8190 5.8646 6.0733 6.1204 6.2577 6.2627 8.7793 8.8286 9.5156 9.5655 10.2142 10.2145 10.9868 11.1161 11.6595 11.7310 k = 0.4200 0.4272-0.0000 ( 5000 PWs) bands (ev): -5.5991 -5.5986 -5.3994 -5.3959 -5.2609 -5.2564 -0.6324 -0.6132 -0.5834 -0.5505 -0.1895 -0.1770 -0.1408 -0.1172 -0.0684 -0.0299 0.0992 0.1074 0.6732 0.7252 0.8879 0.9132 1.3650 1.3725 1.4351 1.4504 1.5795 1.5877 1.6254 1.6435 1.7609 1.7860 1.8587 1.8893 2.0643 2.0765 2.6579 2.6593 2.7627 2.7905 3.5741 3.5989 3.6268 3.6374 4.6877 4.6883 5.4089 5.4537 5.7962 5.8401 6.0859 6.1441 6.2554 6.2626 8.8059 8.8580 9.4702 9.5280 10.2725 10.2752 11.1037 11.2374 11.6204 11.6870 k = 0.4133 0.4388-0.0000 ( 5004 PWs) bands (ev): -5.5940 -5.5935 -5.3947 -5.3909 -5.2652 -5.2604 -0.6328 -0.6121 -0.5855 -0.5502 -0.1811 -0.1702 -0.1381 -0.1184 -0.0646 -0.0263 0.0931 0.1011 0.6746 0.7308 0.8896 0.9147 1.3675 1.3747 1.4374 1.4532 1.5786 1.5926 1.6258 1.6495 1.7635 1.7888 1.8554 1.8883 2.0508 2.0638 2.6724 2.6745 2.7769 2.8063 3.5158 3.5349 3.6479 3.6544 4.6675 4.6701 5.3534 5.3959 5.7768 5.8192 6.1020 6.1722 6.2544 6.2750 8.8319 8.8874 9.4255 9.4920 10.3086 10.3152 11.2233 11.3614 11.6104 11.6684 k = 0.4067 0.4503-0.0000 ( 5008 PWs) bands (ev): -5.5888 -5.5882 -5.3897 -5.3856 -5.2697 -5.2646 -0.6331 -0.6110 -0.5876 -0.5500 -0.1727 -0.1647 -0.1335 -0.1196 -0.0608 -0.0228 0.0867 0.0943 0.6759 0.7362 0.8915 0.9159 1.3699 1.3766 1.4406 1.4564 1.5773 1.5975 1.6260 1.6553 1.7668 1.7917 1.8527 1.8873 2.0366 2.0503 2.6882 2.6910 2.7922 2.8230 3.4526 3.4692 3.6730 3.6793 4.6443 4.6487 5.2899 5.3301 5.7621 5.8035 6.1176 6.1964 6.2632 6.2940 8.8561 8.9152 9.3841 9.4600 10.3187 10.3308 11.3439 11.4857 11.6333 11.6797 k = 0.4000 0.4619-0.0000 ( 5012 PWs) bands (ev): -5.5835 -5.5830 -5.3845 -5.3802 -5.2745 -5.2691 -0.6333 -0.6099 -0.5895 -0.5498 -0.1643 -0.1607 -0.1269 -0.1205 -0.0570 -0.0196 0.0802 0.0873 0.6772 0.7415 0.8935 0.9168 1.3720 1.3782 1.4445 1.4600 1.5754 1.6024 1.6260 1.6608 1.7710 1.7949 1.8507 1.8864 2.0218 2.0360 2.7051 2.7088 2.8086 2.8408 3.3915 3.4064 3.6971 3.7043 4.6194 4.6252 5.2216 5.2597 5.7526 5.7933 6.1313 6.2107 6.2844 6.3172 8.8765 8.9389 9.3494 9.4344 10.3028 10.3214 11.4643 11.6064 11.6878 11.7229 k = 0.3933 0.4734-0.0000 ( 5000 PWs) bands (ev): -5.5783 -5.5777 -5.3791 -5.3746 -5.2796 -5.2739 -0.6334 -0.6088 -0.5912 -0.5496 -0.1580 -0.1564 -0.1211 -0.1188 -0.0533 -0.0167 0.0737 0.0800 0.6784 0.7466 0.8957 0.9174 1.3739 1.3795 1.4491 1.4639 1.5732 1.6073 1.6259 1.6656 1.7760 1.7985 1.8495 1.8855 2.0064 2.0211 2.7230 2.7277 2.8258 2.8595 3.3338 3.3469 3.7190 3.7276 4.5945 4.6012 5.1510 5.1871 5.7483 5.7884 6.1437 6.2184 6.3120 6.3420 8.8914 8.9554 9.3255 9.4179 10.2653 10.2900 11.5844 11.7168 11.7679 11.7991 k = 0.3867 0.4850-0.0000 ( 5004 PWs) bands (ev): -5.5731 -5.5726 -5.3736 -5.3688 -5.2848 -5.2789 -0.6335 -0.6076 -0.5929 -0.5495 -0.1561 -0.1493 -0.1210 -0.1096 -0.0497 -0.0143 0.0672 0.0726 0.6795 0.7513 0.8979 0.9177 1.3755 1.3806 1.4544 1.4679 1.5706 1.6120 1.6259 1.6695 1.7819 1.8026 1.8489 1.8847 1.9907 2.0056 2.7418 2.7477 2.8436 2.8787 3.2799 3.2909 3.7377 3.7480 4.5715 4.5787 5.0799 5.1139 5.7486 5.7877 6.1557 6.2243 6.3396 6.3657 8.8993 8.9613 9.3164 9.4126 10.2119 10.2419 11.7044 11.8162 11.8648 11.9012 k = 0.3800 0.4965-0.0000 ( 5004 PWs) bands (ev): -5.5682 -5.5676 -5.3680 -5.3630 -5.2903 -5.2840 -0.6335 -0.6065 -0.5944 -0.5494 -0.1546 -0.1439 -0.1196 -0.0999 -0.0465 -0.0124 0.0611 0.0653 0.6805 0.7557 0.9001 0.9176 1.3768 1.3813 1.4600 1.4720 1.5676 1.6160 1.6266 1.6724 1.7886 1.8075 1.8492 1.8838 1.9749 1.9898 2.7613 2.7684 2.8617 2.8984 3.2302 3.2385 3.7525 3.7641 4.5526 4.5600 5.0098 5.0416 5.7528 5.7903 6.1682 6.2305 6.3638 6.3865 8.8998 8.9557 9.3236 9.4197 10.1484 10.1823 11.8246 11.9135 11.9702 12.0114 k = 0.3733 0.5081-0.0000 ( 5000 PWs) bands (ev): -5.5635 -5.5630 -5.3624 -5.3572 -5.2958 -5.2894 -0.6335 -0.6053 -0.5957 -0.5494 -0.1532 -0.1407 -0.1163 -0.0900 -0.0437 -0.0114 0.0553 0.0583 0.6813 0.7597 0.9023 0.9173 1.3780 1.3819 1.4660 1.4758 1.5645 1.6185 1.6289 1.6740 1.7960 1.8132 1.8501 1.8831 1.9592 1.9738 2.7813 2.7895 2.8798 2.9181 3.1849 3.1900 3.7625 3.7752 4.5396 4.5470 4.9419 4.9713 5.7597 5.7950 6.1821 6.2376 6.3830 6.4029 8.8942 8.9410 9.3453 9.4385 10.0794 10.1158 11.9437 12.0117 12.0775 12.1181 k = 0.3667 0.5196-0.0000 ( 5006 PWs) bands (ev): -5.5592 -5.5587 -5.3567 -5.3514 -5.3015 -5.2948 -0.6334 -0.6042 -0.5969 -0.5493 -0.1519 -0.1395 -0.1117 -0.0800 -0.0414 -0.0114 0.0502 0.0519 0.6820 0.7631 0.9044 0.9166 1.3789 1.3821 1.4719 1.4794 1.5612 1.6193 1.6330 1.6743 1.8040 1.8197 1.8518 1.8824 1.9439 1.9578 2.8015 2.8107 2.8973 2.9373 3.1444 3.1452 3.7677 3.7808 4.5340 4.5415 4.8773 4.9039 5.7685 5.8004 6.1977 6.2460 6.3965 6.4141 8.8846 8.9214 9.3776 9.4673 10.0088 10.0461 12.0595 12.1083 12.1817 12.2159 k = 0.3600 0.5312-0.0000 ( 5008 PWs) bands (ev): -5.5555 -5.5550 -5.3511 -5.3456 -5.3072 -5.3003 -0.6334 -0.6032 -0.5979 -0.5493 -0.1506 -0.1396 -0.1066 -0.0702 -0.0396 -0.0129 0.0458 0.0465 0.6825 0.7661 0.9063 0.9158 1.3796 1.3823 1.4775 1.4826 1.5580 1.6194 1.6381 1.6733 1.8122 1.8267 1.8544 1.8820 1.9292 1.9422 2.8214 2.8311 2.9136 2.9554 3.1046 3.1092 3.7686 3.7811 4.5366 4.5446 4.8168 4.8405 5.7781 5.8055 6.2152 6.2555 6.4040 6.4197 8.8734 8.9008 9.4164 9.5040 9.9395 9.9759 12.1692 12.1996 12.2790 12.3007 k = 0.3533 0.5427-0.0000 ( 5012 PWs) bands (ev): -5.5523 -5.5519 -5.3455 -5.3400 -5.3129 -5.3057 -0.6333 -0.6023 -0.5988 -0.5493 -0.1492 -0.1404 -0.1020 -0.0607 -0.0385 -0.0160 0.0424 0.0425 0.6829 0.7684 0.9080 0.9147 1.3802 1.3822 1.4824 1.4851 1.5551 1.6193 1.6435 1.6710 1.8204 1.8332 1.8584 1.8820 1.9156 1.9271 2.8404 2.8498 2.9280 2.9715 3.0683 3.0803 3.7664 3.7773 4.5475 4.5564 4.7614 4.7816 5.7877 5.8094 6.2343 6.2658 6.4057 6.4197 8.8629 8.8819 9.4581 9.5462 9.8745 9.9075 12.2693 12.2819 12.3664 12.3696 k = 0.3467 0.5543-0.0000 ( 5014 PWs) bands (ev): -5.5498 -5.5495 -5.3401 -5.3347 -5.3185 -5.3110 -0.6332 -0.6015 -0.5995 -0.5493 -0.1478 -0.1416 -0.0982 -0.0516 -0.0378 -0.0208 0.0398 0.0400 0.6831 0.7701 0.9095 0.9136 1.3807 1.3820 1.4862 1.4871 1.5528 1.6192 1.6490 1.6678 1.8281 1.8379 1.8645 1.8826 1.9036 1.9130 2.8574 2.8650 2.9395 2.9844 3.0375 3.0592 3.7629 3.7711 4.5657 4.5764 4.7120 4.7282 5.7964 5.8115 6.2542 6.2757 6.4026 6.4150 8.8549 8.8666 9.4986 9.5914 9.8178 9.8435 12.3521 12.3564 12.4203 12.4410 k = 0.3400 0.5658-0.0000 ( 4998 PWs) bands (ev): -5.5482 -5.5481 -5.3349 -5.3300 -5.3238 -5.3156 -0.6331 -0.6009 -0.6000 -0.5493 -0.1462 -0.1430 -0.0958 -0.0431 -0.0374 -0.0270 0.0385 0.0386 0.6833 0.7711 0.9107 0.9126 1.3811 1.3818 1.4884 1.4885 1.5513 1.6191 1.6543 1.6638 1.8344 1.8398 1.8730 1.8838 1.8938 1.9009 2.8704 2.8746 2.9471 2.9938 3.0140 3.0475 3.7604 3.7648 4.5889 4.6033 4.6709 4.6813 5.8035 5.8113 6.2723 6.2830 6.3973 6.4079 8.8506 8.8560 9.5310 9.6349 9.7761 9.7885 12.4072 12.4266 12.4508 12.4986 k = 0.3333 0.5774-0.0000 ( 5004 PWs) bands (ev): -5.5476 -5.5476 -5.3312 -5.3276 -5.3276 -5.3180 -0.6331 -0.6005 -0.6005 -0.5493 -0.1446 -0.1446 -0.0950 -0.0371 -0.0371 -0.0326 0.0382 0.0382 0.6833 0.7715 0.9117 0.9117 1.3815 1.3815 1.4891 1.4891 1.5508 1.6191 1.6593 1.6593 1.8385 1.8385 1.8819 1.8819 1.8884 1.8951 2.8767 2.8767 2.9497 3.0010 3.0010 3.0443 3.7607 3.7607 4.6052 4.6283 4.6493 4.6493 5.8086 5.8086 6.2834 6.2834 6.3942 6.4038 8.8507 8.8507 9.5440 9.6583 9.7606 9.7606 12.4354 12.4641 12.4641 12.4967 k = 0.3333 0.5774-0.0000 ( 5004 PWs) bands (ev): -5.5476 -5.5476 -5.3312 -5.3276 -5.3276 -5.3180 -0.6331 -0.6005 -0.6005 -0.5493 -0.1446 -0.1446 -0.0950 -0.0371 -0.0371 -0.0326 0.0382 0.0382 0.6833 0.7715 0.9117 0.9117 1.3815 1.3815 1.4891 1.4891 1.5508 1.6191 1.6593 1.6593 1.8385 1.8385 1.8819 1.8819 1.8884 1.8951 2.8767 2.8767 2.9497 3.0010 3.0010 3.0443 3.7607 3.7607 4.6052 4.6283 4.6493 4.6493 5.8086 5.8086 6.2834 6.2834 6.3942 6.4038 8.8507 8.8507 9.5440 9.6583 9.7606 9.7606 12.4354 12.4641 12.4641 12.4967 k = 0.3265 0.5656-0.0000 ( 5002 PWs) bands (ev): -5.5483 -5.5481 -5.3348 -5.3298 -5.3240 -5.3157 -0.6331 -0.6007 -0.6002 -0.5493 -0.1464 -0.1429 -0.0958 -0.0437 -0.0367 -0.0271 0.0384 0.0386 0.6833 0.7711 0.9110 0.9124 1.3812 1.3818 1.4878 1.4892 1.5512 1.6191 1.6544 1.6638 1.8342 1.8399 1.8743 1.8816 1.8966 1.8989 2.8717 2.8734 2.9477 2.9998 3.0077 3.0467 3.7608 3.7657 4.5898 4.6030 4.6717 4.6800 5.8032 5.8114 6.2717 6.2797 6.3987 6.4104 8.8510 8.8558 9.5316 9.6351 9.7775 9.7863 12.4043 12.4094 12.4822 12.5209 k = 0.3197 0.5538-0.0000 ( 5012 PWs) bands (ev): -5.5503 -5.5499 -5.3393 -5.3338 -5.3194 -5.3116 -0.6332 -0.6009 -0.6002 -0.5493 -0.1483 -0.1411 -0.0982 -0.0525 -0.0360 -0.0208 0.0391 0.0396 0.6832 0.7701 0.9106 0.9127 1.3809 1.3820 1.4848 1.4887 1.5522 1.6189 1.6495 1.6677 1.8278 1.8380 1.8675 1.8805 1.9063 1.9085 2.8621 2.8622 2.9427 3.0075 3.0111 3.0539 3.7668 3.7768 4.5698 4.5773 4.7107 4.7234 5.7953 5.8115 6.2473 6.2592 6.4118 6.4298 8.8572 8.8663 9.5042 9.5949 9.8168 9.8363 12.3381 12.3414 12.4884 12.5277 k = 0.3129 0.5420-0.0000 ( 5014 PWs) bands (ev): -5.5538 -5.5530 -5.3434 -5.3379 -5.3149 -5.3072 -0.6334 -0.6010 -0.6005 -0.5493 -0.1504 -0.1393 -0.1018 -0.0617 -0.0353 -0.0153 0.0400 0.0409 0.6831 0.7685 0.9107 0.9127 1.3807 1.3823 1.4806 1.4877 1.5531 1.6185 1.6450 1.6710 1.8203 1.8334 1.8633 1.8809 1.9147 1.9205 2.8471 2.8512 2.9344 3.0082 3.0202 3.0663 3.7796 3.7945 4.5562 4.5594 4.7546 4.7706 5.7851 5.8091 6.2133 6.2269 6.4309 6.4573 8.8690 8.8819 9.4733 9.5559 9.8665 9.8920 12.2622 12.2676 12.4786 12.5256 k = 0.3061 0.5302-0.0000 ( 5014 PWs) bands (ev): -5.5586 -5.5576 -5.3472 -5.3417 -5.3108 -5.3031 -0.6337 -0.6010 -0.6010 -0.5494 -0.1527 -0.1376 -0.1063 -0.0708 -0.0346 -0.0109 0.0408 0.0424 0.6829 0.7664 0.9110 0.9124 1.3806 1.3826 1.4754 1.4862 1.5535 1.6177 1.6411 1.6736 1.8124 1.8270 1.8612 1.8820 1.9231 1.9320 2.8316 2.8404 2.9228 2.9994 3.0357 3.0820 3.7995 3.8187 4.5500 4.5503 4.8013 4.8205 5.7728 5.8040 6.1727 6.1871 6.4536 6.4888 8.8860 8.9024 9.4446 9.5219 9.9209 9.9494 12.1831 12.1886 12.4586 12.5208 k = 0.2993 0.5184-0.0000 ( 5010 PWs) bands (ev): -5.5650 -5.5637 -5.3504 -5.3451 -5.3069 -5.2993 -0.6341 -0.6017 -0.6009 -0.5495 -0.1553 -0.1360 -0.1111 -0.0796 -0.0341 -0.0076 0.0414 0.0440 0.6828 0.7640 0.9117 0.9118 1.3806 1.3829 1.4695 1.4844 1.5530 1.6163 1.6381 1.6757 1.8046 1.8200 1.8605 1.8836 1.9308 1.9424 2.8173 2.8309 2.9089 2.9866 3.0527 3.0991 3.8260 3.8491 4.5492 4.5524 4.8501 4.8723 5.7588 5.7965 6.1276 6.1424 6.4786 6.5222 8.9080 8.9276 9.4205 9.4938 9.9773 10.0071 12.1017 12.1065 12.4325 12.5115 k = 0.2925 0.5067-0.0000 ( 5010 PWs) bands (ev): -5.5730 -5.5712 -5.3532 -5.3481 -5.3035 -5.2958 -0.6346 -0.6027 -0.6009 -0.5497 -0.1583 -0.1348 -0.1161 -0.0879 -0.0340 -0.0055 0.0417 0.0457 0.6827 0.7612 0.9107 0.9130 1.3808 1.3834 1.4631 1.4823 1.5515 1.6142 1.6361 1.6773 1.7970 1.8130 1.8608 1.8851 1.9372 1.9514 2.8049 2.8233 2.8939 2.9714 3.0704 3.1167 3.8585 3.8850 4.5568 4.5624 4.9002 4.9256 5.7434 5.7869 6.0794 6.0947 6.5050 6.5565 8.9343 8.9571 9.4018 9.4721 10.0344 10.0643 12.0187 12.0223 12.4022 12.4981 k = 0.2857 0.4949-0.0000 ( 5002 PWs) bands (ev): -5.5824 -5.5803 -5.3555 -5.3507 -5.3005 -5.2927 -0.6351 -0.6039 -0.6009 -0.5500 -0.1617 -0.1342 -0.1208 -0.0952 -0.0343 -0.0044 0.0415 0.0472 0.6827 0.7584 0.9094 0.9144 1.3812 1.3839 1.4564 1.4799 1.5489 1.6115 1.6350 1.6786 1.7896 1.8061 1.8617 1.8865 1.9418 1.9587 2.7946 2.8179 2.8792 2.9553 3.0887 3.1345 3.8961 3.9255 4.5727 4.5801 4.9510 4.9798 5.7271 5.7754 6.0296 6.0453 6.5322 6.5909 8.9645 8.9904 9.3890 9.4567 10.0911 10.1204 11.9345 11.9370 12.3689 12.4711 k = 0.2789 0.4831-0.0000 ( 4998 PWs) bands (ev): -5.5932 -5.5908 -5.3575 -5.3530 -5.2979 -5.2901 -0.6358 -0.6053 -0.6009 -0.5504 -0.1656 -0.1346 -0.1252 -0.1012 -0.0351 -0.0044 0.0407 0.0485 0.6827 0.7556 0.9078 0.9160 1.3818 1.3845 1.4495 1.4773 1.5452 1.6081 1.6348 1.6796 1.7825 1.7994 1.8632 1.8874 1.9442 1.9642 2.7864 2.8147 2.8663 2.9397 3.1076 3.1524 3.9378 3.9697 4.5963 4.6048 5.0022 5.0346 5.7103 5.7623 5.9794 5.9952 6.5601 6.6251 8.9981 9.0270 9.3819 9.4474 10.1469 10.1749 11.8499 11.8511 12.3336 12.4402 k = 0.2721 0.4713-0.0000 ( 4998 PWs) bands (ev): -5.6054 -5.6027 -5.3591 -5.3549 -5.2957 -5.2880 -0.6365 -0.6069 -0.6011 -0.5510 -0.1699 -0.1366 -0.1290 -0.1053 -0.0364 -0.0053 0.0394 0.0493 0.6829 0.7528 0.9060 0.9178 1.3826 1.3852 1.4425 1.4746 1.5407 1.6039 1.6351 1.6803 1.7756 1.7928 1.8651 1.8877 1.9443 1.9678 2.7797 2.8134 2.8568 2.9260 3.1271 3.1704 3.9827 4.0169 4.6272 4.6362 5.0534 5.0896 5.6937 5.7479 5.9299 5.9458 6.5884 6.6587 9.0346 9.0665 9.3803 9.4438 10.2011 10.2272 11.7654 11.7655 12.2969 12.4064 k = 0.2653 0.4595-0.0000 ( 5010 PWs) bands (ev): -5.6188 -5.6159 -5.3606 -5.3566 -5.2940 -5.2863 -0.6373 -0.6086 -0.6014 -0.5518 -0.1747 -0.1403 -0.1323 -0.1073 -0.0381 -0.0071 0.0374 0.0497 0.6832 0.7502 0.9038 0.9197 1.3837 1.3860 1.4355 1.4717 1.5356 1.5992 1.6358 1.6808 1.7689 1.7865 1.8673 1.8872 1.9421 1.9696 2.7739 2.8133 2.8520 2.9158 3.1473 3.1887 4.0300 4.0661 4.6646 4.6734 5.1041 5.1446 5.6777 5.7324 5.8826 5.8979 6.6169 6.6916 9.0734 9.1084 9.3838 9.4456 10.2530 10.2765 11.6807 11.6819 12.2595 12.3703 k = 0.2585 0.4477-0.0000 ( 5027 PWs) bands (ev): -5.6335 -5.6304 -5.3618 -5.3581 -5.2928 -5.2851 -0.6382 -0.6105 -0.6019 -0.5528 -0.1799 -0.1452 -0.1350 -0.1077 -0.0404 -0.0096 0.0349 0.0495 0.6836 0.7478 0.9015 0.9216 1.3850 1.3866 1.4288 1.4686 1.5299 1.5939 1.6367 1.6809 1.7624 1.7804 1.8695 1.8857 1.9375 1.9698 2.7686 2.8134 2.8530 2.9107 3.1682 3.2072 4.0789 4.1166 4.7077 4.7158 5.1541 5.1994 5.6630 5.7159 5.8388 5.8528 6.6456 6.7237 9.1141 9.1523 9.3919 9.4522 10.3018 10.3221 11.5978 11.6002 12.2219 12.3325 k = 0.2517 0.4360-0.0000 ( 5025 PWs) bands (ev): -5.6492 -5.6459 -5.3630 -5.3595 -5.2921 -5.2844 -0.6391 -0.6125 -0.6026 -0.5539 -0.1853 -0.1507 -0.1373 -0.1071 -0.0431 -0.0130 0.0317 0.0486 0.6841 0.7456 0.8989 0.9234 1.3866 1.3869 1.4224 1.4655 1.5238 1.5881 1.6377 1.6807 1.7561 1.7746 1.8717 1.8830 1.9308 1.9688 2.7639 2.8128 2.8596 2.9119 3.1899 3.2261 4.1287 4.1675 4.7559 4.7625 5.2030 5.2537 5.6504 5.6982 5.8003 5.8115 6.6746 6.7549 9.1560 9.1976 9.4040 9.4631 10.3464 10.3631 11.5179 11.5215 12.1845 12.2935 k = 0.2449 0.4242-0.0000 ( 5029 PWs) bands (ev): -5.6659 -5.6625 -5.3642 -5.3608 -5.2919 -5.2842 -0.6401 -0.6146 -0.6035 -0.5553 -0.1910 -0.1564 -0.1392 -0.1060 -0.0461 -0.0171 0.0280 0.0471 0.6848 0.7437 0.8961 0.9251 1.3865 1.3885 1.4169 1.4622 1.5174 1.5820 1.6385 1.6800 1.7499 1.7690 1.8736 1.8792 1.9225 1.9670 2.7605 2.8113 2.8716 2.9198 3.2123 3.2454 4.1787 4.2182 4.8081 4.8127 5.2505 5.3074 5.6405 5.6793 5.7689 5.7754 6.7036 6.7853 9.1987 9.2439 9.4197 9.4776 10.3855 10.3979 11.4423 11.4472 12.1478 12.2538 k = 0.2381 0.4124-0.0000 ( 5027 PWs) bands (ev): -5.6835 -5.6800 -5.3653 -5.3621 -5.2922 -5.2846 -0.6411 -0.6168 -0.6047 -0.5570 -0.1968 -0.1621 -0.1407 -0.1045 -0.0496 -0.0218 0.0238 0.0449 0.6855 0.7419 0.8931 0.9266 1.3849 1.3907 1.4127 1.4589 1.5108 1.5756 1.6391 1.6786 1.7438 1.7637 1.8742 1.8749 1.9131 1.9646 2.7587 2.8094 2.8881 2.9339 3.2353 3.2649 4.2284 4.2677 4.8634 4.8653 5.2962 5.3603 5.6344 5.6598 5.7456 5.7456 6.7328 6.8147 9.2416 9.2906 9.4382 9.4950 10.4173 10.4251 11.3729 11.3791 12.1123 12.2139 k = 0.2313 0.4006-0.0000 ( 5037 PWs) bands (ev): -5.7019 -5.6983 -5.3665 -5.3634 -5.2929 -5.2854 -0.6421 -0.6190 -0.6061 -0.5588 -0.2027 -0.1676 -0.1420 -0.1030 -0.0533 -0.0271 0.0192 0.0420 0.6864 0.7404 0.8899 0.9279 1.3818 1.3931 1.4101 1.4554 1.5040 1.5689 1.6394 1.6765 1.7379 1.7587 1.8684 1.8751 1.9035 1.9618 2.7592 2.8081 2.9084 2.9529 3.2588 3.2846 4.2770 4.3156 4.9193 4.9206 5.3397 5.4122 5.6328 5.6420 5.7234 5.7301 6.7621 6.8433 9.2839 9.3370 9.4591 9.5149 10.4398 10.4426 11.3120 11.3197 12.0782 12.1744 k = 0.2245 0.3888-0.0000 ( 5037 PWs) bands (ev): -5.7211 -5.7174 -5.3677 -5.3648 -5.2942 -5.2867 -0.6431 -0.6213 -0.6078 -0.5608 -0.2087 -0.1729 -0.1431 -0.1014 -0.0573 -0.0330 0.0142 0.0385 0.6874 0.7390 0.8866 0.9288 1.3773 1.3958 1.4090 1.4519 1.4970 1.5620 1.6393 1.6735 1.7322 1.7541 1.8619 1.8731 1.8951 1.9588 2.7620 2.8080 2.9320 2.9759 3.2825 3.3042 4.3243 4.3611 4.9734 4.9786 5.3810 5.4628 5.6287 5.6366 5.7102 5.7218 6.7915 6.8709 9.3250 9.3825 9.4819 9.5366 10.4483 10.4505 11.2619 11.2715 12.0459 12.1355 k = 0.2177 0.3770-0.0000 ( 5043 PWs) bands (ev): -5.7408 -5.7371 -5.3691 -5.3662 -5.2959 -5.2885 -0.6441 -0.6236 -0.6097 -0.5631 -0.2149 -0.1780 -0.1441 -0.0999 -0.0615 -0.0394 0.0089 0.0344 0.6884 0.7378 0.8832 0.9293 1.3719 1.3987 1.4089 1.4484 1.4899 1.5551 1.6386 1.6696 1.7268 1.7498 1.8551 1.8673 1.8899 1.9556 2.7673 2.8096 2.9583 3.0022 3.3064 3.3236 4.3697 4.4037 5.0264 5.0361 5.4201 5.5116 5.6226 5.6463 5.7070 5.7203 6.8209 6.8976 9.3641 9.4261 9.5061 9.5598 10.4405 10.4476 11.2249 11.2367 12.0157 12.0979 k = 0.2109 0.3653-0.0000 ( 5051 PWs) bands (ev): -5.7611 -5.7574 -5.3705 -5.3678 -5.2981 -5.2908 -0.6451 -0.6259 -0.6119 -0.5655 -0.2212 -0.1828 -0.1448 -0.0985 -0.0657 -0.0463 0.0035 0.0298 0.6895 0.7367 0.8796 0.9294 1.3660 1.4017 1.4093 1.4447 1.4829 1.5481 1.6373 1.6647 1.7219 1.7458 1.8483 1.8587 1.8875 1.9522 2.7749 2.8130 2.9867 3.0309 3.3303 3.3429 4.4130 4.4432 5.0771 5.0915 5.4577 5.5575 5.6259 5.6620 5.7151 5.7263 6.8502 6.9234 9.4000 9.4668 9.5317 9.5840 10.4190 10.4304 11.2019 11.2165 11.9877 12.0617 k = 0.2041 0.3535-0.0000 ( 5045 PWs) bands (ev): -5.7818 -5.7782 -5.3720 -5.3694 -5.3007 -5.2936 -0.6461 -0.6283 -0.6143 -0.5681 -0.2276 -0.1875 -0.1455 -0.0971 -0.0700 -0.0535 -0.0021 0.0248 0.6906 0.7356 0.8759 0.9291 1.3599 1.4047 1.4097 1.4411 1.4758 1.5411 1.6352 1.6587 1.7174 1.7422 1.8418 1.8492 1.8861 1.9484 2.7846 2.8182 3.0166 3.0613 3.3542 3.3620 4.4540 4.4793 5.1248 5.1439 5.4948 5.5988 5.6397 5.6833 5.7348 5.7416 6.8793 6.9481 9.4315 9.5031 9.5583 9.6092 10.3851 10.4001 11.1923 11.2101 11.9622 12.0275 k = 0.1973 0.3417-0.0000 ( 5033 PWs) bands (ev): -5.8029 -5.7993 -5.3736 -5.3711 -5.3037 -5.2968 -0.6470 -0.6306 -0.6169 -0.5709 -0.2343 -0.1921 -0.1461 -0.0960 -0.0742 -0.0611 -0.0077 0.0194 0.6917 0.7346 0.8720 0.9283 1.3538 1.4077 1.4101 1.4373 1.4689 1.5342 1.6324 1.6516 1.7136 1.7388 1.8358 1.8400 1.8848 1.9445 2.7962 2.8251 3.0472 3.0924 3.3786 3.3815 4.4928 4.5123 5.1691 5.1926 5.5319 5.6325 5.6656 5.7103 5.7652 5.7684 6.9081 6.9718 9.4571 9.5330 9.5859 9.6352 10.3425 10.3602 11.1939 11.2150 11.9393 11.9957 k = 0.1905 0.3299-0.0000 ( 5041 PWs) bands (ev): -5.8243 -5.8207 -5.3754 -5.3729 -5.3072 -5.3004 -0.6479 -0.6330 -0.6196 -0.5738 -0.2413 -0.1967 -0.1467 -0.0950 -0.0784 -0.0688 -0.0132 0.0138 0.6928 0.7336 0.8681 0.9270 1.3478 1.4101 1.4104 1.4337 1.4623 1.5275 1.6288 1.6436 1.7105 1.7358 1.8304 1.8316 1.8833 1.9402 2.8093 2.8335 3.0776 3.1232 3.4021 3.4039 4.5296 4.5423 5.2110 5.2380 5.5688 5.6561 5.7057 5.7442 5.8045 5.8064 6.9363 6.9944 9.4750 9.5540 9.6143 9.6623 10.2957 10.3149 11.2039 11.2277 11.9195 11.9669 k = 0.1837 0.3181-0.0000 ( 5049 PWs) bands (ev): -5.8458 -5.8424 -5.3772 -5.3748 -5.3110 -5.3043 -0.6487 -0.6354 -0.6225 -0.5768 -0.2485 -0.2013 -0.1473 -0.0943 -0.0824 -0.0766 -0.0187 0.0080 0.6939 0.7325 0.8640 0.9252 1.3418 1.4097 1.4126 1.4301 1.4561 1.5211 1.6244 1.6347 1.7081 1.7330 1.8242 1.8257 1.8815 1.9356 2.8237 2.8431 3.1066 3.1520 3.4252 3.4310 4.5646 4.5700 5.2516 5.2813 5.6046 5.6736 5.7569 5.7859 5.8508 5.8528 6.9637 7.0157 9.4828 9.5630 9.6436 9.6904 10.2502 10.2693 11.2190 11.2445 11.9033 11.9418 k = 0.1769 0.3063-0.0000 ( 5053 PWs) bands (ev): -5.8675 -5.8641 -5.3791 -5.3768 -5.3151 -5.3087 -0.6495 -0.6377 -0.6255 -0.5798 -0.2559 -0.2061 -0.1478 -0.0939 -0.0862 -0.0842 -0.0239 0.0020 0.6950 0.7315 0.8598 0.9229 1.3360 1.4087 1.4138 1.4270 1.4505 1.5152 1.6195 1.6252 1.7064 1.7305 1.8178 1.8217 1.8793 1.9308 2.8389 2.8537 3.1329 3.1770 3.4524 3.4613 4.5960 4.5983 5.2925 5.3241 5.6380 5.6887 5.8162 5.8353 5.9027 5.9049 6.9902 7.0357 9.4779 9.5567 9.6739 9.7195 10.2114 10.2281 11.2362 11.2618 11.8913 11.9212 k = 0.1701 0.2946-0.0000 ( 5037 PWs) bands (ev): -5.8891 -5.8859 -5.3811 -5.3788 -5.3195 -5.3133 -0.6503 -0.6401 -0.6284 -0.5829 -0.2637 -0.2111 -0.1485 -0.0955 -0.0899 -0.0897 -0.0289 -0.0039 0.6960 0.7304 0.8555 0.9201 1.3302 1.4069 1.4133 1.4248 1.4456 1.5098 1.6140 1.6152 1.7053 1.7282 1.8124 1.8183 1.8767 1.9257 2.8545 2.8649 3.1551 3.1966 3.4855 3.4959 4.6210 4.6312 5.3351 5.3679 5.6686 5.7026 5.8813 5.8913 5.9593 5.9610 7.0155 7.0544 9.4580 9.5324 9.7055 9.7500 10.1837 10.1956 11.2529 11.2764 11.8841 11.9055 k = 0.1633 0.2828-0.0000 ( 5039 PWs) bands (ev): -5.9107 -5.9076 -5.3832 -5.3809 -5.3243 -5.3182 -0.6511 -0.6424 -0.6314 -0.5860 -0.2717 -0.2164 -0.1492 -0.1015 -0.0929 -0.0912 -0.0337 -0.0098 0.6970 0.7292 0.8511 0.9168 1.3246 1.4044 1.4108 1.4236 1.4417 1.5051 1.6051 1.6082 1.7048 1.7262 1.8079 1.8156 1.8739 1.9205 2.8702 2.8765 3.1722 3.2098 3.5255 3.5362 4.6457 4.6637 5.3805 5.4140 5.6967 5.7160 5.9499 5.9519 6.0196 6.0202 7.0395 7.0715 9.4218 9.4894 9.7388 9.7819 10.1689 10.1740 11.2666 11.2856 11.8819 11.8945 k = 0.1565 0.2710-0.0000 ( 5035 PWs) bands (ev): -5.9322 -5.9291 -5.3853 -5.3831 -5.3292 -5.3234 -0.6518 -0.6446 -0.6342 -0.5892 -0.2799 -0.2222 -0.1500 -0.1085 -0.0957 -0.0914 -0.0382 -0.0156 0.6978 0.7279 0.8467 0.9130 1.3191 1.4010 1.4069 1.4227 1.4387 1.5010 1.5950 1.6022 1.7047 1.7245 1.8042 1.8133 1.8709 1.9151 2.8855 2.8880 3.1836 3.2165 3.5728 3.5827 4.6708 4.6964 5.4290 5.4629 5.7226 5.7289 6.0155 6.0202 6.0824 6.0831 7.0619 7.0871 9.3697 9.4293 9.7743 9.8158 10.1637 10.1663 11.2755 11.2876 11.8826 11.8859 k = 0.1497 0.2592-0.0000 ( 5035 PWs) bands (ev): -5.9533 -5.9504 -5.3875 -5.3853 -5.3343 -5.3288 -0.6526 -0.6469 -0.6369 -0.5922 -0.2883 -0.2284 -0.1510 -0.1153 -0.0981 -0.0915 -0.0424 -0.0212 0.6987 0.7266 0.8421 0.9089 1.3137 1.3969 1.4022 1.4216 1.4366 1.4976 1.5852 1.5960 1.7050 1.7230 1.8011 1.8116 1.8677 1.9095 2.8993 2.9002 3.1896 3.2175 3.6270 3.6357 4.6967 4.7296 5.4810 5.5151 5.7415 5.7466 6.0806 6.0900 6.1476 6.1489 7.0827 7.1011 9.3037 9.3555 9.8125 9.8521 10.1635 10.1732 11.2782 11.2817 11.8744 11.8787 k = 0.1429 0.2474-0.0000 ( 5035 PWs) bands (ev): -5.9742 -5.9714 -5.3897 -5.3875 -5.3396 -5.3343 -0.6534 -0.6490 -0.6393 -0.5952 -0.2968 -0.2351 -0.1521 -0.1216 -0.1002 -0.0916 -0.0464 -0.0266 0.6994 0.7252 0.8375 0.9043 1.3085 1.3924 1.3969 1.4198 1.4352 1.4948 1.5758 1.5897 1.7056 1.7218 1.7985 1.8102 1.8643 1.9039 2.9102 2.9140 3.1908 3.2137 3.6873 3.6948 4.7241 4.7637 5.5359 5.5702 5.7537 5.7693 6.1461 6.1581 6.2159 6.2163 7.1016 7.1135 9.2267 9.2715 9.8537 9.8910 10.1709 10.1866 11.2681 11.2747 11.8520 11.8538 k = 0.1361 0.2357-0.0000 ( 5039 PWs) bands (ev): -5.9947 -5.9920 -5.3919 -5.3898 -5.3450 -5.3400 -0.6544 -0.6511 -0.6413 -0.5981 -0.3054 -0.2424 -0.1534 -0.1275 -0.1018 -0.0919 -0.0500 -0.0317 0.7001 0.7237 0.8329 0.8993 1.3034 1.3877 1.3912 1.4174 1.4344 1.4923 1.5671 1.5835 1.7065 1.7209 1.7964 1.8091 1.8609 1.8984 2.9203 2.9266 3.1878 3.2062 3.7531 3.7596 4.7531 4.7990 5.5932 5.6276 5.7660 5.7914 6.2114 6.2236 6.2844 6.2867 7.1187 7.1243 9.1415 9.1802 9.8979 9.9328 10.1836 10.2039 11.2481 11.2654 11.8002 11.8112 k = 0.1293 0.2239-0.0000 ( 5027 PWs) bands (ev): -6.0146 -6.0121 -5.3942 -5.3921 -5.3505 -5.3457 -0.6555 -0.6532 -0.6428 -0.6009 -0.3140 -0.2502 -0.1549 -0.1329 -0.1031 -0.0923 -0.0534 -0.0365 0.7007 0.7222 0.8282 0.8940 1.2985 1.3828 1.3851 1.4146 1.4341 1.4899 1.5591 1.5773 1.7076 1.7202 1.7945 1.8082 1.8576 1.8928 2.9295 2.9379 3.1816 3.1959 3.8239 3.8297 4.7839 4.8356 5.6513 5.6860 5.7790 5.8137 6.2758 6.2869 6.3526 6.3587 7.1337 7.1339 9.0504 9.0841 9.9453 9.9774 10.1995 10.2230 11.2229 11.2512 11.7277 11.7508 k = 0.1224 0.2121-0.0000 ( 5021 PWs) bands (ev): -6.0341 -6.0316 -5.3964 -5.3943 -5.3560 -5.3515 -0.6569 -0.6551 -0.6439 -0.6036 -0.3224 -0.2584 -0.1565 -0.1378 -0.1039 -0.0929 -0.0565 -0.0410 0.7012 0.7206 0.8236 0.8884 1.2937 1.3779 1.3788 1.4112 1.4341 1.4875 1.5520 1.5711 1.7089 1.7198 1.7930 1.8075 1.8543 1.8874 2.9378 2.9476 3.1729 3.1835 3.8991 3.9045 4.8166 4.8734 5.7076 5.7403 5.7972 5.8384 6.3391 6.3484 6.4200 6.4307 7.1416 7.1472 8.9556 8.9850 9.9956 10.0248 10.2168 10.2424 11.1939 11.2334 11.6454 11.6762 k = 0.1156 0.2003-0.0000 ( 5031 PWs) bands (ev): -6.0528 -6.0506 -5.3986 -5.3966 -5.3614 -5.3573 -0.6584 -0.6570 -0.6445 -0.6062 -0.3308 -0.2669 -0.1582 -0.1422 -0.1045 -0.0935 -0.0593 -0.0452 0.7016 0.7189 0.8191 0.8826 1.2892 1.3721 1.3732 1.4076 1.4345 1.4850 1.5458 1.5651 1.7103 1.7197 1.7916 1.8068 1.8512 1.8821 2.9450 2.9558 3.1624 3.1697 3.9784 3.9837 4.8511 4.9124 5.7575 5.7754 5.8346 5.8692 6.4008 6.4082 6.4861 6.5015 7.1484 7.1588 8.8588 8.8845 10.0480 10.0741 10.2338 10.2608 11.1623 11.2129 11.5588 11.5942 k = 0.1088 0.1885-0.0000 ( 5029 PWs) bands (ev): -6.0709 -6.0688 -5.4008 -5.3988 -5.3668 -5.3629 -0.6599 -0.6587 -0.6448 -0.6086 -0.3388 -0.2757 -0.1600 -0.1463 -0.1048 -0.0942 -0.0619 -0.0490 0.7019 0.7172 0.8146 0.8766 1.2849 1.3654 1.3687 1.4037 1.4351 1.4822 1.5405 1.5592 1.7119 1.7197 1.7903 1.8061 1.8483 1.8770 2.9511 2.9624 3.1507 3.1552 4.0614 4.0668 4.8872 4.9524 5.7916 5.7956 5.8900 5.9106 6.4608 6.4665 6.5504 6.5704 7.1541 7.1687 8.7614 8.7839 10.1014 10.1244 10.2493 10.2772 11.1290 11.1902 11.4726 11.5112 k = 0.1020 0.1767-0.0000 ( 5033 PWs) bands (ev): -6.0883 -6.0863 -5.4029 -5.4009 -5.3721 -5.3685 -0.6615 -0.6603 -0.6447 -0.6108 -0.3466 -0.2847 -0.1618 -0.1499 -0.1049 -0.0950 -0.0644 -0.0524 0.7021 0.7155 0.8103 0.8704 1.2809 1.3585 1.3644 1.3995 1.4360 1.4793 1.5359 1.5534 1.7135 1.7200 1.7892 1.8054 1.8456 1.8722 2.9561 2.9674 3.1384 3.1403 4.1477 4.1535 4.9246 4.9929 5.8023 5.8219 5.9489 5.9612 6.5189 6.5233 6.6125 6.6369 7.1589 7.1772 8.6648 8.6845 10.1539 10.1732 10.2620 10.2913 11.0947 11.1645 11.3924 11.4328 k = 0.0952 0.1650-0.0000 ( 5039 PWs) bands (ev): -6.1048 -6.1029 -5.4050 -5.4030 -5.3772 -5.3740 -0.6629 -0.6618 -0.6444 -0.6129 -0.3540 -0.2937 -0.1637 -0.1533 -0.1048 -0.0957 -0.0666 -0.0556 0.7023 0.7137 0.8062 0.8641 1.2772 1.3515 1.3604 1.3952 1.4370 1.4763 1.5319 1.5478 1.7152 1.7205 1.7882 1.8046 1.8432 1.8676 2.9599 2.9709 3.1254 3.1258 4.2372 4.2435 4.9628 5.0338 5.8111 5.8407 6.0062 6.0154 6.5749 6.5786 6.6723 6.7004 7.1631 7.1844 8.5703 8.5874 10.2013 10.2160 10.2721 10.3044 11.0601 11.1331 11.3256 11.3644 k = 0.0884 0.1532-0.0000 ( 5043 PWs) bands (ev): -6.1204 -6.1187 -5.4071 -5.4051 -5.3821 -5.3793 -0.6642 -0.6632 -0.6439 -0.6149 -0.3609 -0.3028 -0.1655 -0.1565 -0.1045 -0.0965 -0.0686 -0.0584 0.7023 0.7120 0.8023 0.8578 1.2739 1.3446 1.3567 1.3907 1.4382 1.4733 1.5284 1.5423 1.7169 1.7212 1.7872 1.8036 1.8412 1.8635 2.9628 2.9730 3.1109 3.1135 4.3294 4.3365 5.0015 5.0744 5.8192 5.8554 6.0594 6.0682 6.6286 6.6323 6.7298 6.7606 7.1668 7.1906 8.4794 8.4939 10.2347 10.2441 10.2834 10.3207 11.0269 11.0943 11.2798 11.3106 k = 0.0816 0.1414-0.0000 ( 5047 PWs) bands (ev): -6.1351 -6.1335 -5.4090 -5.4070 -5.3868 -5.3843 -0.6654 -0.6644 -0.6433 -0.6167 -0.3673 -0.3117 -0.1673 -0.1594 -0.1041 -0.0972 -0.0705 -0.0610 0.7023 0.7103 0.7987 0.8514 1.2710 1.3377 1.3533 1.3862 1.4396 1.4705 1.5252 1.5371 1.7187 1.7221 1.7862 1.8024 1.8394 1.8597 2.9645 2.9737 3.0972 3.1015 4.4240 4.4321 5.0400 5.1143 5.8267 5.8674 6.1066 6.1160 6.6801 6.6842 6.7851 6.8174 7.1704 7.1960 8.3934 8.4053 10.2428 10.2515 10.3010 10.3403 10.9997 11.0534 11.2561 11.2741 k = 0.0748 0.1296-0.0000 ( 5055 PWs) bands (ev): -6.1488 -6.1473 -5.4109 -5.4089 -5.3912 -5.3890 -0.6664 -0.6655 -0.6425 -0.6183 -0.3731 -0.3204 -0.1691 -0.1621 -0.1036 -0.0978 -0.0721 -0.0634 0.7021 0.7086 0.7954 0.8452 1.2684 1.3308 1.3504 1.3817 1.4410 1.4680 1.5223 1.5322 1.7204 1.7231 1.7853 1.8010 1.8380 1.8563 2.9653 2.9732 3.0844 3.0903 4.5207 4.5300 5.0779 5.1530 5.8339 5.8777 6.1457 6.1561 6.7291 6.7341 6.8382 6.8707 7.1740 7.2009 8.3137 8.3228 10.2330 10.2432 10.3115 10.3521 10.9854 11.0227 11.2495 11.2549 k = 0.0680 0.1178-0.0000 ( 5047 PWs) bands (ev): -6.1614 -6.1601 -5.4128 -5.4108 -5.3953 -5.3935 -0.6672 -0.6665 -0.6416 -0.6198 -0.3783 -0.3290 -0.1708 -0.1646 -0.1031 -0.0983 -0.0737 -0.0655 0.7019 0.7070 0.7925 0.8390 1.2663 1.3242 1.3477 1.3772 1.4425 1.4657 1.5195 1.5275 1.7221 1.7241 1.7844 1.7995 1.8369 1.8533 2.9652 2.9716 3.0727 3.0800 4.6189 4.6298 5.1146 5.1900 5.8408 5.8865 6.1749 6.1859 6.7757 6.7818 6.8893 6.9203 7.1778 7.2055 8.2415 8.2478 10.2129 10.2245 10.3035 10.3458 10.9902 11.0128 11.2506 11.2546 k = 0.0612 0.1060-0.0000 ( 5049 PWs) bands (ev): -6.1730 -6.1718 -5.4145 -5.4125 -5.3990 -5.3975 -0.6679 -0.6673 -0.6407 -0.6213 -0.3828 -0.3372 -0.1723 -0.1670 -0.1025 -0.0988 -0.0750 -0.0675 0.7016 0.7055 0.7900 0.8329 1.2647 1.3176 1.3455 1.3728 1.4441 1.4637 1.5169 1.5231 1.7237 1.7252 1.7837 1.7978 1.8361 1.8506 2.9643 2.9692 3.0625 3.0707 4.7182 4.7310 5.1497 5.2250 5.8475 5.8939 6.1926 6.2037 6.8196 6.8267 6.9384 6.9662 7.1820 7.2103 8.1782 8.1814 10.1856 10.1983 10.2762 10.3188 11.0154 11.0269 11.2581 11.2679 k = 0.0544 0.0943-0.0000 ( 5049 PWs) bands (ev): -6.1835 -6.1824 -5.4162 -5.4142 -5.4023 -5.4012 -0.6685 -0.6680 -0.6397 -0.6226 -0.3867 -0.3450 -0.1737 -0.1692 -0.1020 -0.0991 -0.0762 -0.0693 0.7013 0.7041 0.7881 0.8271 1.2635 1.3113 1.3437 1.3685 1.4457 1.4620 1.5144 1.5190 1.7253 1.7263 1.7830 1.7960 1.8355 1.8483 2.9626 2.9662 3.0536 3.0624 4.8177 4.8331 5.1826 5.2576 5.8540 5.9000 6.1976 6.2080 6.8607 6.8683 6.9850 7.0082 7.1869 7.2154 8.1245 8.1246 10.1532 10.1669 10.2345 10.2756 11.0570 11.0614 11.2744 11.2870 k = 0.0476 0.0825-0.0000 ( 5041 PWs) bands (ev): -6.1928 -6.1918 -5.4177 -5.4158 -5.4052 -5.4044 -0.6689 -0.6686 -0.6387 -0.6238 -0.3897 -0.3524 -0.1750 -0.1711 -0.1014 -0.0994 -0.0773 -0.0710 0.7008 0.7028 0.7866 0.8215 1.2628 1.3053 1.3423 1.3644 1.4473 1.4606 1.5120 1.5153 1.7267 1.7274 1.7824 1.7941 1.8352 1.8464 2.9604 2.9629 3.0463 3.0552 4.9165 4.9354 5.2129 5.2879 5.8599 5.9047 6.1894 6.1986 6.8986 6.9063 7.0282 7.0457 7.1928 7.2212 8.0778 8.0807 10.1177 10.1322 10.1850 10.2229 11.1091 11.1093 11.2966 11.3095 k = 0.0408 0.0707-0.0000 ( 5047 PWs) bands (ev): -6.2009 -6.2001 -5.4192 -5.4174 -5.4076 -5.4071 -0.6693 -0.6690 -0.6376 -0.6250 -0.3920 -0.3594 -0.1761 -0.1729 -0.1009 -0.0995 -0.0781 -0.0725 0.7004 0.7016 0.7857 0.8161 1.2626 1.2995 1.3413 1.3606 1.4488 1.4595 1.5098 1.5119 1.7280 1.7285 1.7819 1.7922 1.8351 1.8446 2.9578 2.9594 3.0405 3.0490 5.0130 5.0372 5.2403 5.3163 5.8650 5.9078 6.1684 6.1760 6.9328 6.9401 7.0667 7.0783 7.2003 7.2281 8.0410 8.0466 10.0813 10.0961 10.1336 10.1671 11.1640 11.1659 11.3221 11.3338 k = 0.0340 0.0589-0.0000 ( 5041 PWs) bands (ev): -6.2078 -6.2071 -5.4205 -5.4188 -5.4096 -5.4093 -0.6695 -0.6694 -0.6365 -0.6261 -0.3935 -0.3658 -0.1771 -0.1744 -0.1004 -0.0996 -0.0787 -0.0739 0.6999 0.7007 0.7853 0.8111 1.2630 1.2940 1.3407 1.3570 1.4503 1.4586 1.5077 1.5091 1.7292 1.7294 1.7817 1.7904 1.8352 1.8431 2.9551 2.9560 3.0360 3.0437 5.1045 5.1371 5.2646 5.3441 5.8687 5.9086 6.1364 6.1421 6.9628 6.9693 7.0988 7.1051 7.2100 7.2361 8.0138 8.0213 10.0461 10.0608 10.0848 10.1130 11.2202 11.2226 11.3486 11.3579 k = 0.0272 0.0471-0.0000 ( 5037 PWs) bands (ev): -6.2135 -6.2129 -5.4216 -5.4202 -5.4112 -5.4111 -0.6697 -0.6696 -0.6355 -0.6272 -0.3942 -0.3717 -0.1778 -0.1758 -0.1001 -0.0996 -0.0792 -0.0751 0.6995 0.6998 0.7855 0.8064 1.2639 1.2889 1.3406 1.3537 1.4516 1.4579 1.5060 1.5067 1.7302 1.7303 1.7816 1.7886 1.8355 1.8418 2.9525 2.9529 3.0327 3.0393 5.1859 5.2320 5.2873 5.3745 5.8697 5.9062 6.0966 6.1002 6.9881 6.9935 7.1231 7.1257 7.2222 7.2449 7.9952 8.0034 10.0142 10.0281 10.0416 10.0640 11.2732 11.2752 11.3739 11.3804 k = 0.0204 0.0353-0.0000 ( 5041 PWs) bands (ev): -6.2179 -6.2175 -5.4225 -5.4214 -5.4124 -5.4123 -0.6699 -0.6698 -0.6344 -0.6282 -0.3940 -0.3770 -0.1784 -0.1768 -0.0998 -0.0996 -0.0794 -0.0762 0.6991 0.6992 0.7863 0.8021 1.2653 1.2841 1.3408 1.3508 1.4528 1.4573 1.5045 1.5048 1.7309 1.7310 1.7817 1.7870 1.8359 1.8407 2.9502 2.9504 3.0305 3.0358 5.2490 5.2923 5.3349 5.4128 5.8662 5.8983 6.0543 6.0560 7.0084 7.0124 7.1397 7.1405 7.2358 7.2535 7.9836 7.9914 9.9877 10.0001 10.0065 10.0225 11.3189 11.3201 11.3962 11.3999 k = 0.0136 0.0236-0.0000 ( 5045 PWs) bands (ev): -6.2210 -6.2208 -5.4231 -5.4223 -5.4132 -5.4132 -0.6700 -0.6699 -0.6334 -0.6292 -0.3931 -0.3817 -0.1787 -0.1777 -0.0996 -0.0995 -0.0793 -0.0772 0.6987 0.6988 0.7876 0.7983 1.2672 1.2798 1.3415 1.3482 1.4539 1.4567 1.5033 1.5034 1.7315 1.7315 1.7820 1.7855 1.8365 1.8396 2.9484 2.9485 3.0294 3.0330 5.2883 5.3078 5.4132 5.4593 5.8560 5.8818 6.0178 6.0180 7.0232 7.0259 7.1500 7.1501 7.2485 7.2605 7.9774 7.9835 9.9684 9.9784 9.9808 9.9904 11.3540 11.3542 11.4139 11.4154 k = 0.0068 0.0118-0.0000 ( 5053 PWs) bands (ev): -6.2229 -6.2228 -5.4234 -5.4230 -5.4137 -5.4137 -0.6700 -0.6700 -0.6323 -0.6303 -0.3914 -0.3856 -0.1788 -0.1783 -0.0995 -0.0995 -0.0791 -0.0780 0.6985 0.6985 0.7895 0.7949 1.2696 1.2759 1.3426 1.3459 1.4548 1.4562 1.5026 1.5026 1.7318 1.7318 1.7825 1.7843 1.8371 1.8387 2.9473 2.9473 3.0291 3.0309 5.3081 5.3150 5.4767 5.4991 5.8423 5.8575 5.9949 5.9949 7.0324 7.0338 7.1555 7.1555 7.2582 7.2641 7.9753 7.9786 9.9580 9.9647 9.9653 9.9686 11.3753 11.3757 11.4255 11.4257 k = 0.0000 0.0000 0.0000 ( 5073 PWs) bands (ev): -6.2235 -6.2235 -5.4234 -5.4234 -5.4139 -5.4139 -0.6700 -0.6700 -0.6313 -0.6313 -0.3889 -0.3889 -0.1787 -0.1787 -0.0995 -0.0995 -0.0787 -0.0787 0.6984 0.6984 0.7919 0.7919 1.2725 1.2725 1.3440 1.3440 1.4555 1.4555 1.5023 1.5023 1.7319 1.7319 1.7833 1.7833 1.8378 1.8378 2.9469 2.9469 3.0296 3.0296 5.3156 5.3156 5.5088 5.5088 5.8398 5.8398 5.9877 5.9877 7.0360 7.0360 7.1572 7.1572 7.2635 7.2635 7.9758 7.9758 9.9577 9.9577 9.9601 9.9601 11.3827 11.3827 11.4295 11.4295 k = 0.0000 0.0000 0.0000 ( 5073 PWs) bands (ev): -6.2235 -6.2235 -5.4234 -5.4234 -5.4139 -5.4139 -0.6700 -0.6700 -0.6313 -0.6313 -0.3889 -0.3889 -0.1787 -0.1787 -0.0995 -0.0995 -0.0787 -0.0787 0.6984 0.6984 0.7919 0.7919 1.2725 1.2725 1.3440 1.3440 1.4555 1.4555 1.5023 1.5023 1.7319 1.7319 1.7833 1.7833 1.8378 1.8378 2.9469 2.9469 3.0296 3.0296 5.3156 5.3156 5.5088 5.5088 5.8398 5.8398 5.9877 5.9877 7.0360 7.0360 7.1572 7.1572 7.2635 7.2635 7.9758 7.9758 9.9577 9.9577 9.9601 9.9601 11.3827 11.3827 11.4295 11.4295 k = 0.0000 0.0000 0.0131 ( 5073 PWs) bands (ev): -6.2228 -6.2224 -5.4588 -5.4494 -5.3884 -5.3790 -0.6898 -0.6506 -0.6479 -0.6156 -0.3908 -0.3874 -0.1809 -0.1761 -0.1028 -0.0962 -0.0805 -0.0769 0.6739 0.7235 0.7577 0.8271 1.2640 1.2805 1.3438 1.3447 1.4526 1.4585 1.4960 1.5082 1.7285 1.7357 1.7804 1.7861 1.8372 1.8384 2.9204 2.9767 3.0035 3.0582 5.2799 5.3140 5.4968 5.5472 5.8344 5.8454 5.9863 5.9886 7.0288 7.0462 7.1473 7.1678 7.2600 7.2673 7.9777 7.9822 9.9424 9.9460 9.9660 9.9671 11.3354 11.3887 11.4365 11.4765 k = 0.0000 0.0000 0.0263 ( 5043 PWs) bands (ev): -6.2204 -6.2197 -5.4947 -5.4853 -5.3542 -5.3449 -0.7097 -0.6653 -0.6316 -0.6009 -0.3931 -0.3864 -0.1827 -0.1732 -0.1063 -0.0931 -0.0824 -0.0753 0.6501 0.7248 0.7489 0.8630 1.2550 1.2878 1.3438 1.3458 1.4497 1.4616 1.4894 1.5136 1.7255 1.7397 1.7774 1.7889 1.8363 1.8387 2.8970 2.9797 3.0100 3.0894 5.2252 5.2713 5.5153 5.5934 5.8292 5.8513 5.9845 5.9890 7.0248 7.0590 7.1380 7.1790 7.2569 7.2714 7.9879 7.9967 9.9198 9.9248 9.9672 9.9674 11.2950 11.3539 11.4965 11.5296 k = 0.0000 0.0000 0.0394 ( 5049 PWs) bands (ev): -6.2163 -6.2153 -5.5308 -5.5214 -5.3209 -5.3118 -0.7296 -0.6835 -0.6131 -0.5872 -0.3958 -0.3858 -0.1841 -0.1700 -0.1098 -0.0901 -0.0844 -0.0738 0.6271 0.6934 0.7745 0.8993 1.2456 1.2944 1.3443 1.3473 1.4469 1.4648 1.4825 1.5184 1.7229 1.7440 1.7744 1.7916 1.8353 1.8388 2.8766 2.9580 3.0469 3.1235 5.1605 5.2065 5.5458 5.6389 5.8242 5.8573 5.9823 5.9889 7.0238 7.0739 7.1294 7.1905 7.2540 7.2757 8.0063 8.0192 9.8900 9.8965 9.9608 9.9625 11.2612 11.3246 11.5618 11.5885 k = 0.0000 0.0000 0.0525 ( 5042 PWs) bands (ev): -6.2106 -6.2092 -5.5670 -5.5577 -5.2888 -5.2799 -0.7493 -0.7023 -0.5953 -0.5744 -0.3988 -0.3857 -0.1851 -0.1666 -0.1135 -0.0873 -0.0864 -0.0724 0.6053 0.6638 0.7999 0.9355 1.2359 1.3002 1.3450 1.3493 1.4440 1.4680 1.4754 1.5225 1.7208 1.7484 1.7713 1.7941 1.8342 1.8386 2.8589 2.9382 3.0876 3.1607 5.0889 5.1311 5.5775 5.6808 5.8194 5.8635 5.9796 5.9885 7.0254 7.0901 7.1216 7.2023 7.2515 7.2803 8.0332 8.0496 9.8534 9.8615 9.9489 9.9521 11.2338 11.3003 11.6317 11.6528 k = 0.0000 0.0000 0.0656 ( 5048 PWs) bands (ev): -6.2032 -6.2014 -5.6032 -5.5940 -5.2579 -5.2493 -0.7687 -0.7215 -0.5781 -0.5624 -0.4023 -0.3861 -0.1857 -0.1631 -0.1172 -0.0886 -0.0846 -0.0711 0.5846 0.6359 0.8252 0.9714 1.2257 1.3051 1.3462 1.3518 1.4412 1.4682 1.4714 1.5259 1.7192 1.7531 1.7682 1.7966 1.8331 1.8382 2.8438 2.9202 3.1320 3.2011 5.0122 5.0496 5.6070 5.7183 5.8148 5.8698 5.9765 5.9875 7.0291 7.1068 7.1146 7.2143 7.2492 7.2850 8.0684 8.0877 9.8102 9.8201 9.9323 9.9370 11.2123 11.2803 11.7049 11.7215 k = 0.0000 0.0000 0.0788 ( 5036 PWs) bands (ev): -6.1941 -6.1920 -5.6391 -5.6301 -5.2284 -5.2203 -0.7874 -0.7410 -0.5616 -0.5513 -0.4060 -0.3869 -0.1858 -0.1594 -0.1210 -0.0908 -0.0821 -0.0699 0.5654 0.6101 0.8500 1.0067 1.2152 1.3089 1.3477 1.3548 1.4384 1.4609 1.4748 1.5286 1.7182 1.7578 1.7652 1.7989 1.8318 1.8376 2.8311 2.9038 3.1804 3.2450 4.9313 4.9639 5.6334 5.7512 5.8105 5.8763 5.9731 5.9862 7.0342 7.1085 7.1233 7.2263 7.2472 7.2898 8.1117 8.1333 9.7609 9.7726 9.9121 9.9184 11.1959 11.2639 11.7800 11.7937 k = 0.0000 0.0000 0.0919 ( 5060 PWs) bands (ev): -6.1833 -6.1809 -5.6747 -5.6660 -5.2007 -5.1930 -0.8053 -0.7604 -0.5460 -0.5409 -0.4101 -0.3883 -0.1854 -0.1557 -0.1249 -0.0931 -0.0797 -0.0688 0.5476 0.5864 0.8743 1.0408 1.2044 1.3117 1.3495 1.3582 1.4355 1.4535 1.4783 1.5305 1.7176 1.7621 1.7627 1.8012 1.8305 1.8366 2.8205 2.8888 3.2327 3.2924 4.8471 4.8752 5.6564 5.7796 5.8063 5.8830 5.9692 5.9845 7.0401 7.1030 7.1390 7.2382 7.2454 7.2947 8.1627 8.1859 9.7057 9.7193 9.8897 9.8972 11.1840 11.2505 11.8557 11.8679 k = 0.0000 0.0000 0.1050 ( 5060 PWs) bands (ev): -6.1709 -6.1681 -5.7099 -5.7014 -5.1748 -5.1676 -0.8221 -0.7794 -0.5312 -0.5311 -0.4144 -0.3901 -0.1847 -0.1519 -0.1288 -0.0954 -0.0776 -0.0678 0.5315 0.5649 0.8980 1.0736 1.1932 1.3135 1.3517 1.3619 1.4326 1.4462 1.4819 1.5316 1.7176 1.7590 1.7676 1.8032 1.8292 1.8353 2.8120 2.8753 3.2889 3.3435 4.7602 4.7844 5.6763 5.8024 5.8040 5.8899 5.9650 5.9824 7.0462 7.0984 7.1535 7.2437 7.2498 7.2995 8.2209 8.2451 9.6453 9.6606 9.8662 9.8746 11.1759 11.2395 11.9302 11.9426 k = 0.0000 0.0000 0.1181 ( 5072 PWs) bands (ev): -6.1569 -6.1538 -5.7445 -5.7362 -5.1510 -5.1444 -0.8376 -0.7978 -0.5221 -0.5169 -0.4190 -0.3925 -0.1835 -0.1481 -0.1327 -0.0979 -0.0755 -0.0670 0.5170 0.5455 0.9209 1.1048 1.1817 1.3142 1.3543 1.3658 1.4296 1.4390 1.4856 1.5320 1.7180 1.7560 1.7726 1.8052 1.8278 1.8338 2.8052 2.8629 3.3490 3.3983 4.6714 4.6922 5.6934 5.7985 5.8248 5.8969 5.9605 5.9799 7.0522 7.0944 7.1665 7.2421 7.2609 7.3041 8.2856 8.3102 9.5800 9.5969 9.8426 9.8515 11.1708 11.2303 12.0021 12.0156 k = 0.0000 0.0000 0.1313 ( 5072 PWs) bands (ev): -6.1414 -6.1379 -5.7785 -5.7705 -5.1294 -5.1234 -0.8515 -0.8153 -0.5135 -0.5036 -0.4238 -0.3954 -0.1820 -0.1444 -0.1367 -0.1004 -0.0737 -0.0663 0.5042 0.5282 0.9430 1.1341 1.1698 1.3139 1.3572 1.3699 1.4265 1.4319 1.4893 1.5317 1.7189 1.7529 1.7776 1.8070 1.8265 1.8319 2.8002 2.8518 3.4128 3.4569 4.5812 4.5993 5.7080 5.7948 5.8424 5.9040 5.9557 5.9772 7.0578 7.0911 7.1780 7.2406 7.2714 7.3083 8.3559 8.3807 9.5102 9.5285 9.8199 9.8290 11.1681 11.2224 12.0701 12.0845 k = 0.0000 0.0000 0.1444 ( 5060 PWs) bands (ev): -6.1242 -6.1204 -5.8117 -5.8040 -5.1102 -5.1050 -0.8637 -0.8316 -0.5053 -0.4911 -0.4289 -0.3988 -0.1801 -0.1407 -0.1406 -0.1030 -0.0720 -0.0658 0.4933 0.5132 0.9642 1.1576 1.1612 1.3125 1.3605 1.3741 1.4232 1.4249 1.4931 1.5307 1.7201 1.7499 1.7825 1.8087 1.8251 1.8296 2.7966 2.8417 3.4803 3.5194 4.4901 4.5061 5.7204 5.7911 5.8573 5.9111 5.9507 5.9741 7.0627 7.0884 7.1881 7.2390 7.2811 7.3121 8.4311 8.4558 9.4365 9.4559 9.7989 9.8077 11.1675 11.2156 12.1332 12.1464 k = 0.0000 0.0000 0.1575 ( 5072 PWs) bands (ev): -6.1056 -6.1014 -5.8441 -5.8366 -5.0936 -5.0891 -0.8739 -0.8465 -0.4976 -0.4794 -0.4342 -0.4028 -0.1779 -0.1445 -0.1370 -0.1057 -0.0705 -0.0654 0.4842 0.5003 0.9846 1.1449 1.1861 1.3099 1.3641 1.3783 1.4181 1.4197 1.4969 1.5292 1.7217 1.7470 1.7874 1.8104 1.8238 1.8271 2.7945 2.8326 3.5512 3.5855 4.3986 4.4132 5.7310 5.7873 5.8700 5.9181 5.9453 5.9707 7.0669 7.0862 7.1967 7.2373 7.2900 7.3153 8.5103 8.5347 9.3594 9.3797 9.7803 9.7884 11.1683 11.2095 12.1913 12.1989 k = 0.0000 0.0000 0.1706 ( 5066 PWs) bands (ev): -6.0854 -6.0809 -5.8756 -5.8684 -5.0797 -5.0761 -0.8820 -0.8595 -0.4902 -0.4685 -0.4396 -0.4075 -0.1754 -0.1484 -0.1335 -0.1084 -0.0692 -0.0652 0.4769 0.4896 1.0040 1.1317 1.2086 1.3061 1.3681 1.3825 1.4115 1.4160 1.5007 1.5272 1.7236 1.7441 1.7922 1.8119 1.8225 1.8243 2.7937 2.8246 3.6255 3.6553 4.3072 4.3210 5.7402 5.7836 5.8810 5.9249 5.9397 5.9670 7.0704 7.0844 7.2041 7.2354 7.2978 7.3177 8.5926 8.6168 9.2792 9.3002 9.7647 9.7716 11.1702 11.2039 12.2406 12.2444 k = 0.0000 0.0000 0.1838 ( 5054 PWs) bands (ev): -6.0638 -6.0589 -5.9060 -5.8991 -5.0687 -5.0659 -0.8877 -0.8706 -0.4831 -0.4583 -0.4453 -0.4127 -0.1727 -0.1522 -0.1300 -0.1112 -0.0681 -0.0651 0.4716 0.4809 1.0226 1.1180 1.2286 1.3007 1.3725 1.3868 1.4051 1.4122 1.5045 1.5247 1.7257 1.7412 1.7969 1.8133 1.8211 1.8212 2.7940 2.8174 3.7028 3.7287 4.2164 4.2300 5.7480 5.7797 5.8906 5.9315 5.9339 5.9630 7.0733 7.0828 7.2105 7.2332 7.3045 7.3193 8.6774 8.7011 9.1965 9.2180 9.7523 9.7578 11.1730 11.1987 12.2716 12.2933 k = 0.0000 0.0000 0.1969 ( 5060 PWs) bands (ev): -6.0407 -6.0355 -5.9354 -5.9288 -5.0606 -5.0587 -0.8911 -0.8795 -0.4763 -0.4511 -0.4489 -0.4186 -0.1697 -0.1560 -0.1267 -0.1141 -0.0672 -0.0652 0.4682 0.4743 1.0404 1.1038 1.2462 1.2938 1.3771 1.3911 1.3989 1.4081 1.5083 1.5219 1.7280 1.7384 1.8015 1.8147 1.8177 1.8199 2.7955 2.8112 3.7830 3.8053 4.1264 4.1405 5.7549 5.7755 5.8993 5.9277 5.9377 5.9586 7.0755 7.0815 7.2159 7.2308 7.3101 7.3198 8.7637 8.7871 9.1118 9.1337 9.7436 9.7474 11.1765 11.1938 12.2933 12.3247 k = 0.0000 0.0000 0.2100 ( 5066 PWs) bands (ev): -6.0163 -6.0108 -5.9636 -5.9574 -5.0555 -5.0546 -0.8919 -0.8861 -0.4697 -0.4571 -0.4403 -0.4251 -0.1665 -0.1596 -0.1234 -0.1171 -0.0664 -0.0654 0.4668 0.4698 1.0573 1.0890 1.2614 1.2851 1.3821 1.3931 1.3954 1.4040 1.5119 1.5188 1.7304 1.7357 1.8058 1.8140 1.8160 1.8186 2.7980 2.8058 3.8657 3.8851 4.0378 4.0530 5.7609 5.7711 5.9071 5.9213 5.9435 5.9539 7.0774 7.0802 7.2205 7.2279 7.3143 7.3192 8.8510 8.8739 9.0256 9.0479 9.7387 9.7406 11.1804 11.1891 12.3078 12.3221 k = 0.0000 0.0000 0.2231 ( 5078 PWs) bands (ev): -5.9906 -5.9906 -5.9847 -5.9847 -5.0535 -5.0535 -0.8903 -0.8903 -0.4633 -0.4633 -0.4323 -0.4323 -0.1632 -0.1632 -0.1202 -0.1202 -0.0658 -0.0658 0.4673 0.4673 1.0735 1.0735 1.2743 1.2743 1.3875 1.3875 1.3997 1.3997 1.5154 1.5154 1.7330 1.7330 1.8100 1.8100 1.8173 1.8173 2.8014 2.8014 3.9508 3.9508 3.9678 3.9678 5.7663 5.7663 5.9144 5.9144 5.9489 5.9489 7.0789 7.0789 7.2245 7.2245 7.3174 7.3174 8.9385 8.9385 8.9611 8.9611 9.7377 9.7377 11.1846 11.1846 12.3168 12.3168 k = 0.0000 0.0000 0.2231 ( 5078 PWs) bands (ev): -5.9906 -5.9906 -5.9847 -5.9847 -5.0535 -5.0535 -0.8903 -0.8903 -0.4633 -0.4633 -0.4323 -0.4323 -0.1632 -0.1632 -0.1202 -0.1202 -0.0658 -0.0658 0.4673 0.4673 1.0735 1.0735 1.2743 1.2743 1.3875 1.3875 1.3997 1.3997 1.5154 1.5154 1.7330 1.7330 1.8100 1.8100 1.8173 1.8173 2.8014 2.8014 3.9508 3.9508 3.9678 3.9678 5.7663 5.7663 5.9144 5.9144 5.9489 5.9489 7.0789 7.0789 7.2245 7.2245 7.3174 7.3174 8.9385 8.9385 8.9611 8.9611 9.7377 9.7377 11.1846 11.1846 12.3168 12.3168 k = 0.0119 0.0069 0.2231 ( 5070 PWs) bands (ev): -5.9901 -5.9901 -5.9842 -5.9841 -5.0538 -5.0535 -0.8906 -0.8896 -0.4630 -0.4630 -0.4346 -0.4297 -0.1634 -0.1629 -0.1201 -0.1201 -0.0668 -0.0648 0.4658 0.4698 1.0686 1.0784 1.2744 1.2744 1.3842 1.3904 1.4000 1.4002 1.5140 1.5169 1.7323 1.7335 1.8084 1.8101 1.8182 1.8183 2.8015 2.8019 3.9450 3.9526 3.9660 3.9664 5.7635 5.7636 5.9001 5.9285 5.9382 5.9586 7.0690 7.0799 7.2190 7.2191 7.3099 7.3222 8.9418 8.9418 8.9628 8.9666 9.7436 9.7484 11.1750 11.1839 12.2994 12.3270 k = 0.0238 0.0137 0.2231 ( 5066 PWs) bands (ev): -5.9885 -5.9885 -5.9827 -5.9824 -5.0544 -5.0538 -0.8905 -0.8885 -0.4621 -0.4621 -0.4365 -0.4265 -0.1635 -0.1627 -0.1198 -0.1197 -0.0678 -0.0637 0.4654 0.4735 1.0639 1.0832 1.2746 1.2747 1.3811 1.3923 1.4008 1.4021 1.5127 1.5185 1.7315 1.7339 1.8060 1.8091 1.8200 1.8205 2.8021 2.8028 3.9353 3.9484 3.9610 3.9640 5.7550 5.7563 5.8849 5.9248 5.9433 5.9681 7.0502 7.0713 7.2036 7.2038 7.2999 7.3240 8.9512 8.9517 8.9718 8.9796 9.7658 9.7754 11.1559 11.1727 12.2770 12.3280 k = 0.0357 0.0206 0.2231 ( 5058 PWs) bands (ev): -5.9858 -5.9858 -5.9800 -5.9797 -5.0553 -5.0544 -0.8901 -0.8871 -0.4607 -0.4605 -0.4379 -0.4229 -0.1637 -0.1625 -0.1192 -0.1191 -0.0686 -0.0626 0.4661 0.4781 1.0592 1.0879 1.2748 1.2752 1.3783 1.3930 1.4018 1.4056 1.5114 1.5200 1.7305 1.7342 1.8032 1.8079 1.8222 1.8233 2.8032 2.8043 3.9211 3.9366 3.9537 3.9620 5.7413 5.7451 5.8681 5.9091 5.9577 5.9783 7.0223 7.0519 7.1803 7.1810 7.2872 7.3222 8.9660 8.9669 8.9886 9.0003 9.8033 9.8172 11.1284 11.1513 12.2485 12.3231 k = 0.0476 0.0275 0.2231 ( 5058 PWs) bands (ev): -5.9822 -5.9821 -5.9763 -5.9758 -5.0565 -5.0553 -0.8892 -0.8854 -0.4588 -0.4584 -0.4390 -0.4188 -0.1638 -0.1623 -0.1185 -0.1182 -0.0695 -0.0614 0.4678 0.4837 1.0547 1.0925 1.2750 1.2760 1.3759 1.3931 1.4032 1.4101 1.5102 1.5216 1.7293 1.7344 1.8002 1.8069 1.8247 1.8264 2.8049 2.8063 3.9015 3.9182 3.9449 3.9593 5.7230 5.7309 5.8491 5.8902 5.9720 5.9893 6.9847 7.0203 7.1519 7.1537 7.2719 7.3164 8.9855 8.9860 9.0138 9.0285 9.8542 9.8722 11.0942 11.1210 12.2126 12.3146 k = 0.0595 0.0344 0.2231 ( 5064 PWs) bands (ev): -5.9777 -5.9775 -5.9715 -5.9708 -5.0579 -5.0565 -0.8881 -0.8834 -0.4565 -0.4556 -0.4397 -0.4142 -0.1638 -0.1621 -0.1177 -0.1170 -0.0702 -0.0602 0.4706 0.4902 1.0504 1.0969 1.2751 1.2770 1.3740 1.3929 1.4048 1.4151 1.5092 1.5233 1.7281 1.7345 1.7972 1.8062 1.8272 1.8296 2.8071 2.8089 3.8766 3.8940 3.9350 3.9550 5.7008 5.7143 5.8274 5.8683 5.9859 6.0013 6.9371 6.9757 7.1207 7.1247 7.2542 7.3067 9.0079 9.0092 9.0466 9.0633 9.9164 9.9382 11.0548 11.0833 12.1694 12.2991 k = 0.0714 0.0412 0.2231 ( 5064 PWs) bands (ev): -5.9722 -5.9719 -5.9656 -5.9647 -5.0597 -5.0579 -0.8865 -0.8811 -0.4538 -0.4523 -0.4400 -0.4089 -0.1638 -0.1618 -0.1166 -0.1156 -0.0709 -0.0590 0.4744 0.4975 1.0464 1.1011 1.2751 1.2784 1.3726 1.3928 1.4067 1.4204 1.5084 1.5250 1.7267 1.7346 1.7941 1.8057 1.8298 1.8329 2.8100 2.8121 3.8464 3.8643 3.9241 3.9488 5.6754 5.6957 5.8030 5.8438 5.9991 6.0139 6.8805 6.9194 7.0885 7.0950 7.2342 7.2931 9.0326 9.0361 9.0857 9.1038 9.9874 10.0129 11.0118 11.0402 12.1196 12.2718 k = 0.0833 0.0481 0.2231 ( 5064 PWs) bands (ev): -5.9658 -5.9655 -5.9585 -5.9574 -5.0617 -5.0597 -0.8847 -0.8786 -0.4510 -0.4484 -0.4398 -0.4031 -0.1638 -0.1614 -0.1155 -0.1138 -0.0715 -0.0577 0.4792 0.5056 1.0428 1.1051 1.2750 1.2801 1.3716 1.3926 1.4090 1.4259 1.5078 1.5267 1.7253 1.7346 1.7910 1.8056 1.8324 1.8364 2.8134 2.8161 3.8111 3.8294 3.9120 3.9405 5.6472 5.6753 5.7762 5.8173 6.0112 6.0267 6.8164 6.8537 7.0560 7.0648 7.2123 7.2759 9.0588 9.0654 9.1296 9.1486 10.0645 10.0939 10.9673 10.9942 12.0644 12.2334 k = 0.0952 0.0550 0.2231 ( 5064 PWs) bands (ev): -5.9587 -5.9583 -5.9503 -5.9490 -5.0640 -5.0617 -0.8826 -0.8759 -0.4480 -0.4441 -0.4390 -0.3968 -0.1637 -0.1609 -0.1143 -0.1118 -0.0721 -0.0564 0.4849 0.5144 1.0395 1.1087 1.2747 1.2821 1.3711 1.3927 1.4118 1.4314 1.5075 1.5286 1.7238 1.7347 1.7878 1.8058 1.8351 1.8399 2.8175 2.8207 3.7713 3.7895 3.8986 3.9300 5.6164 5.6529 5.7470 5.7896 6.0218 6.0393 6.7471 6.7814 7.0233 7.0336 7.1887 7.2555 9.0852 9.0957 9.1771 9.1966 10.1443 10.1784 10.9232 10.9480 12.0050 12.1878 k = 0.1071 0.0619 0.2231 ( 5060 PWs) bands (ev): -5.9507 -5.9502 -5.9410 -5.9396 -5.0666 -5.0640 -0.8801 -0.8730 -0.4453 -0.4395 -0.4372 -0.3898 -0.1636 -0.1602 -0.1129 -0.1094 -0.0725 -0.0550 0.4915 0.5236 1.0368 1.1120 1.2743 1.2843 1.3711 1.3929 1.4149 1.4370 1.5075 1.5306 1.7223 1.7349 1.7846 1.8063 1.8378 1.8435 2.8224 2.8262 3.7272 3.7452 3.8837 3.9171 5.5831 5.6283 5.7156 5.7618 6.0302 6.0511 6.6751 6.7053 6.9905 7.0013 7.1635 7.2324 9.1103 9.1257 9.2270 9.2467 10.2228 10.2628 10.8825 10.9053 11.9426 12.1387 k = 0.1190 0.0687 0.2231 ( 5062 PWs) bands (ev): -5.9420 -5.9414 -5.9307 -5.9291 -5.0694 -5.0666 -0.8775 -0.8700 -0.4429 -0.4358 -0.4333 -0.3824 -0.1635 -0.1593 -0.1115 -0.1068 -0.0728 -0.0535 0.4988 0.5332 1.0345 1.1149 1.2736 1.2867 1.3715 1.3935 1.4186 1.4424 1.5079 1.5328 1.7209 1.7353 1.7815 1.8070 1.8407 1.8472 2.8279 2.8327 3.6792 3.6969 3.8673 3.9017 5.5476 5.6009 5.6824 5.7344 6.0352 6.0612 6.6030 6.6280 6.9575 6.9679 7.1371 7.2068 9.1326 9.1535 9.2784 9.2978 10.2940 10.3415 10.8497 10.8714 11.8788 12.0887 k = 0.1310 0.0756 0.2231 ( 5058 PWs) bands (ev): -5.9326 -5.9319 -5.9194 -5.9176 -5.0725 -5.0694 -0.8746 -0.8668 -0.4408 -0.4324 -0.4278 -0.3744 -0.1634 -0.1580 -0.1100 -0.1039 -0.0729 -0.0519 0.5069 0.5431 1.0330 1.1173 1.2728 1.2893 1.3722 1.3946 1.4228 1.4477 1.5087 1.5352 1.7194 1.7358 1.7783 1.8080 1.8436 1.8509 2.8343 2.8401 3.6277 3.6452 3.8491 3.8838 5.5097 5.5694 5.6485 5.7081 6.0352 6.0686 6.5333 6.5530 6.9242 6.9336 7.1095 7.1791 9.1505 9.1775 9.3305 9.3491 10.3495 10.4051 10.8320 10.8543 11.8151 12.0397 k = 0.1429 0.0825 0.2231 ( 5058 PWs) bands (ev): -5.9224 -5.9217 -5.9071 -5.9052 -5.0758 -5.0724 -0.8715 -0.8636 -0.4389 -0.4286 -0.4217 -0.3661 -0.1633 -0.1564 -0.1084 -0.1007 -0.0729 -0.0502 0.5155 0.5530 1.0321 1.1193 1.2718 1.2919 1.3732 1.3962 1.4276 1.4527 1.5099 1.5379 1.7181 1.7365 1.7753 1.8093 1.8467 1.8547 2.8415 2.8487 3.5732 3.5908 3.8289 3.8631 5.4695 5.5328 5.6152 5.6828 6.0277 6.0715 6.4676 6.4856 6.8908 6.8985 7.0808 7.1497 9.1625 9.1959 9.3828 9.3999 10.3800 10.4417 10.8379 10.8633 11.7532 11.9932 k = 0.1548 0.0894 0.2231 ( 5050 PWs) bands (ev): -5.9117 -5.9109 -5.8939 -5.8918 -5.0793 -5.0757 -0.8683 -0.8604 -0.4368 -0.4246 -0.4154 -0.3575 -0.1632 -0.1544 -0.1068 -0.0973 -0.0727 -0.0484 0.5247 0.5628 1.0319 1.1208 1.2708 1.2945 1.3744 1.3985 1.4329 1.4574 1.5115 1.5410 1.7168 1.7374 1.7723 1.8107 1.8499 1.8586 2.8495 2.8584 3.5159 3.5343 3.8068 3.8396 5.4269 5.4900 5.5835 5.6585 6.0100 6.0674 6.4071 6.4322 6.8572 6.8630 7.0511 7.1188 9.1678 9.2075 9.4347 9.4496 10.3814 10.4456 10.8690 10.9021 11.6954 11.9507 k = 0.1667 0.0962 0.2231 ( 5048 PWs) bands (ev): -5.9004 -5.8995 -5.8798 -5.8776 -5.0831 -5.0792 -0.8650 -0.8571 -0.4345 -0.4204 -0.4087 -0.3488 -0.1631 -0.1520 -0.1050 -0.0938 -0.0723 -0.0462 0.5343 0.5724 1.0326 1.1218 1.2696 1.2969 1.3757 1.4017 1.4387 1.4620 1.5134 1.5445 1.7157 1.7387 1.7694 1.8122 1.8532 1.8626 2.8584 2.8694 3.4565 3.4765 3.7824 3.8134 5.3815 5.4410 5.5538 5.6349 5.9805 6.0533 6.3568 6.3943 6.8232 6.8275 7.0205 7.0864 9.1655 9.2113 9.4859 9.4977 10.3591 10.4236 10.9161 10.9609 11.6455 11.9143 k = 0.1786 0.1031 0.2231 ( 5048 PWs) bands (ev): -5.8885 -5.8876 -5.8649 -5.8625 -5.0871 -5.0829 -0.8616 -0.8539 -0.4321 -0.4161 -0.4018 -0.3401 -0.1630 -0.1491 -0.1031 -0.0903 -0.0717 -0.0438 0.5442 0.5815 1.0341 1.1222 1.2686 1.2991 1.3770 1.4056 1.4449 1.4663 1.5156 1.5485 1.7148 1.7403 1.7666 1.8138 1.8566 1.8667 2.8680 2.8819 3.3955 3.4182 3.7558 3.7843 5.3330 5.3864 5.5258 5.6115 5.9401 6.0271 6.3211 6.3706 6.7883 6.7929 6.9891 7.0528 9.1559 9.2070 9.5357 9.5435 10.3221 10.3862 10.9667 11.0228 11.6091 11.8875 k = 0.1905 0.1100 0.2231 ( 5044 PWs) bands (ev): -5.8761 -5.8751 -5.8493 -5.8468 -5.0912 -5.0869 -0.8581 -0.8506 -0.4293 -0.4118 -0.3947 -0.3315 -0.1628 -0.1458 -0.1010 -0.0868 -0.0708 -0.0409 0.5543 0.5900 1.0366 1.1220 1.2676 1.3010 1.3785 1.4103 1.4514 1.4707 1.5180 1.5530 1.7140 1.7422 1.7640 1.8154 1.8602 1.8711 2.8783 2.8957 3.3335 3.3600 3.7269 3.7524 5.2808 5.3271 5.4992 5.5881 5.8921 5.9902 6.2997 6.3576 6.7527 6.7596 6.9569 7.0180 9.1392 9.1949 9.5835 9.5860 10.2780 10.3408 11.0103 11.0709 11.5953 11.8746 k = 0.2024 0.1168 0.2231 ( 5050 PWs) bands (ev): -5.8634 -5.8623 -5.8331 -5.8303 -5.0956 -5.0910 -0.8545 -0.8475 -0.4264 -0.4075 -0.3873 -0.3232 -0.1626 -0.1421 -0.0986 -0.0835 -0.0695 -0.0375 0.5645 0.5977 1.0399 1.1211 1.2668 1.3027 1.3801 1.4157 1.4578 1.4752 1.5205 1.5582 1.7134 1.7446 1.7617 1.8170 1.8639 1.8758 2.8890 2.9111 3.2711 3.3030 3.6955 3.7178 5.2242 5.2643 5.4738 5.5644 5.8408 5.9467 6.2889 6.3514 6.7171 6.7272 6.9242 6.9819 9.1163 9.1757 9.6237 9.6284 10.2321 10.2919 11.0385 11.0921 11.6119 11.8797 k = 0.2143 0.1237 0.2231 ( 5046 PWs) bands (ev): -5.8503 -5.8491 -5.8162 -5.8133 -5.1001 -5.0954 -0.8510 -0.8444 -0.4232 -0.4033 -0.3798 -0.3154 -0.1624 -0.1380 -0.0959 -0.0806 -0.0680 -0.0334 0.5746 0.6045 1.0442 1.1195 1.2662 1.3040 1.3819 1.4217 1.4638 1.4803 1.5230 1.5639 1.7129 1.7474 1.7596 1.8185 1.8677 1.8809 2.8993 2.9281 3.2090 3.2482 3.6617 3.6806 5.1625 5.1992 5.4495 5.5401 5.7898 5.9007 6.2842 6.3484 6.6820 6.6956 6.8910 6.9446 9.0884 9.1505 9.6551 9.6690 10.1888 10.2433 11.0465 11.0850 11.6579 11.9043 k = 0.2262 0.1306 0.2231 ( 5042 PWs) bands (ev): -5.8369 -5.8357 -5.7987 -5.7957 -5.1048 -5.0999 -0.8474 -0.8414 -0.4198 -0.3992 -0.3722 -0.3081 -0.1621 -0.1337 -0.0926 -0.0779 -0.0661 -0.0287 0.5845 0.6104 1.0493 1.1173 1.2660 1.3051 1.3838 1.4282 1.4691 1.4861 1.5255 1.5701 1.7127 1.7505 1.7579 1.8198 1.8715 1.8864 2.9081 2.9466 3.1479 3.1974 3.6255 3.6410 5.0958 5.1327 5.4263 5.5150 5.7417 5.8551 6.2820 6.3457 6.6478 6.6651 6.8576 6.9060 9.0568 9.1206 9.6778 9.7034 10.1521 10.1982 11.0320 11.0600 11.7222 11.9463 k = 0.2381 0.1375 0.2231 ( 5050 PWs) bands (ev): -5.8233 -5.8220 -5.7808 -5.7776 -5.1097 -5.1046 -0.8439 -0.8385 -0.4162 -0.3952 -0.3643 -0.3015 -0.1617 -0.1293 -0.0888 -0.0755 -0.0642 -0.0231 0.5942 0.6152 1.0551 1.1143 1.2662 1.3060 1.3858 1.4350 1.4734 1.4926 1.5282 1.5768 1.7126 1.7532 1.7575 1.8210 1.8753 1.8924 2.9129 2.9662 3.0890 3.1535 3.5871 3.5992 5.0250 5.0650 5.4042 5.4894 5.6978 5.8112 6.2798 6.3409 6.6149 6.6358 6.8247 6.8664 9.0226 9.0874 9.6892 9.7292 10.1252 10.1607 10.9961 11.0287 11.7923 12.0006 k = 0.2500 0.1443 0.2231 ( 5050 PWs) bands (ev): -5.8095 -5.8082 -5.7626 -5.7592 -5.1148 -5.1094 -0.8404 -0.8357 -0.4125 -0.3914 -0.3564 -0.2956 -0.1612 -0.1249 -0.0846 -0.0728 -0.0622 -0.0169 0.6034 0.6189 1.0616 1.1106 1.2667 1.3067 1.3880 1.4420 1.4768 1.4996 1.5311 1.5838 1.7127 1.7535 1.7603 1.8220 1.8793 1.8989 2.9096 2.9834 3.0363 3.1208 3.5465 3.5556 4.9517 4.9960 5.3832 5.4634 5.6587 5.7697 6.2758 6.3321 6.5835 6.6079 6.7926 6.8259 8.9873 9.0522 9.6881 9.7433 10.1100 10.1350 10.9486 10.9921 11.8588 12.0609 k = 0.2619 0.1512 0.2231 ( 5048 PWs) bands (ev): -5.7957 -5.7943 -5.7440 -5.7404 -5.1199 -5.1144 -0.8370 -0.8331 -0.4087 -0.3878 -0.3485 -0.2904 -0.1606 -0.1205 -0.0805 -0.0694 -0.0602 -0.0101 0.6121 0.6215 1.0685 1.1064 1.2678 1.3072 1.3903 1.4490 1.4794 1.5070 1.5343 1.5910 1.7129 1.7530 1.7650 1.8228 1.8834 1.9057 2.8940 2.9647 3.0240 3.1037 3.5042 3.5105 4.8774 4.9259 5.3632 5.4375 5.6240 5.7308 6.2680 6.3175 6.5539 6.5818 6.7619 6.7853 8.9520 9.0161 9.6753 9.7436 10.1055 10.1245 10.8971 10.9506 11.9156 12.1208 k = 0.2738 0.1581 0.2231 ( 5048 PWs) bands (ev): -5.7818 -5.7804 -5.7252 -5.7214 -5.1253 -5.1196 -0.8337 -0.8305 -0.4048 -0.3844 -0.3405 -0.2859 -0.1599 -0.1163 -0.0773 -0.0645 -0.0581 -0.0028 0.6200 0.6233 1.0755 1.1020 1.2693 1.3077 1.3926 1.4556 1.4812 1.5145 1.5380 1.5983 1.7133 1.7525 1.7704 1.8234 1.8876 1.9130 2.8658 2.9166 3.0457 3.1024 3.4604 3.4644 4.8033 4.8551 5.3443 5.4122 5.5931 5.6944 6.2549 6.2959 6.5264 6.5575 6.7322 6.7465 8.9177 8.9804 9.6538 9.7310 10.1099 10.1283 10.8451 10.9066 11.9596 12.1743 k = 0.2857 0.1650 0.2231 ( 5052 PWs) bands (ev): -5.7681 -5.7666 -5.7062 -5.7023 -5.1307 -5.1249 -0.8305 -0.8280 -0.4008 -0.3813 -0.3326 -0.2821 -0.1589 -0.1121 -0.0750 -0.0587 -0.0553 0.0049 0.6233 0.6279 1.0815 1.0983 1.2712 1.3082 1.3950 1.4612 1.4826 1.5221 1.5423 1.6056 1.7138 1.7525 1.7763 1.8239 1.8921 1.9205 2.8293 2.8688 3.0721 3.1124 3.4159 3.4181 4.7303 4.7846 5.3262 5.3879 5.5654 5.6604 6.2351 6.2666 6.5006 6.5354 6.6984 6.7159 8.8851 8.9460 9.6273 9.7088 10.1218 10.1407 10.7946 10.8620 11.9900 12.2166 k = 0.2976 0.1718 0.2231 ( 5054 PWs) bands (ev): -5.7545 -5.7530 -5.6873 -5.6832 -5.1363 -5.1304 -0.8275 -0.8257 -0.3969 -0.3784 -0.3249 -0.2790 -0.1577 -0.1078 -0.0733 -0.0554 -0.0492 0.0127 0.6230 0.6343 1.0832 1.0987 1.2735 1.3087 1.3974 1.4647 1.4848 1.5297 1.5473 1.6128 1.7146 1.7528 1.7824 1.8243 1.8969 1.9282 2.7893 2.8241 3.0996 3.1285 3.3719 3.3728 4.6593 4.7151 5.3090 5.3646 5.5403 5.6286 6.2073 6.2294 6.4760 6.5158 6.6614 6.6938 8.8548 8.9135 9.5990 9.6816 10.1387 10.1568 10.7470 10.8188 12.0074 12.2446 k = 0.3095 0.1787 0.2231 ( 5056 PWs) bands (ev): -5.7411 -5.7396 -5.6683 -5.6641 -5.1419 -5.1359 -0.8246 -0.8234 -0.3930 -0.3758 -0.3174 -0.2764 -0.1562 -0.1034 -0.0719 -0.0532 -0.0412 0.0205 0.6219 0.6398 1.0796 1.1041 1.2761 1.3092 1.3997 1.4649 1.4890 1.5371 1.5530 1.6198 1.7155 1.7536 1.7885 1.8247 1.9019 1.9359 2.7488 2.7825 3.1263 3.1456 3.3297 3.3318 4.5911 4.6474 5.2926 5.3426 5.5172 5.5989 6.1708 6.1848 6.4521 6.4989 6.6262 6.6763 8.8273 8.8833 9.5714 9.6528 10.1574 10.1735 10.7034 10.7786 12.0134 12.2581 k = 0.3214 0.1856 0.2231 ( 5042 PWs) bands (ev): -5.7281 -5.7265 -5.6496 -5.6452 -5.1476 -5.1416 -0.8220 -0.8211 -0.3892 -0.3734 -0.3103 -0.2743 -0.1543 -0.0987 -0.0705 -0.0511 -0.0329 0.0282 0.6200 0.6443 1.0743 1.1111 1.2790 1.3097 1.4019 1.4623 1.4948 1.5441 1.5595 1.6264 1.7167 1.7547 1.7944 1.8252 1.9071 1.9434 2.7099 2.7440 3.1471 3.1562 3.2944 3.3014 4.5263 4.5823 5.2767 5.3218 5.4959 5.5710 6.1255 6.1337 6.4287 6.4841 6.5944 6.6618 8.8026 8.8559 9.5461 9.6248 10.1753 10.1882 10.6651 10.7429 12.0097 12.2593 k = 0.3333 0.1925 0.2231 ( 5026 PWs) bands (ev): -5.7154 -5.7138 -5.6311 -5.6266 -5.1535 -5.1474 -0.8198 -0.8188 -0.3855 -0.3712 -0.3038 -0.2726 -0.1520 -0.0940 -0.0690 -0.0489 -0.0247 0.0357 0.6175 0.6477 1.0687 1.1181 1.2820 1.3102 1.4040 1.4578 1.5016 1.5507 1.5670 1.6328 1.7182 1.7561 1.7998 1.8259 1.9125 1.9505 2.6735 2.7086 3.1473 3.1523 3.2779 3.2921 4.4658 4.5207 5.2613 5.3020 5.4761 5.5450 6.0715 6.0777 6.4063 6.4707 6.5671 6.6495 8.7808 8.8312 9.5240 9.5991 10.1905 10.1993 10.6332 10.7130 11.9982 12.2516 k = 0.3452 0.1993 0.2231 ( 5026 PWs) bands (ev): -5.7032 -5.7016 -5.6129 -5.6084 -5.1593 -5.1532 -0.8178 -0.8164 -0.3821 -0.3692 -0.2979 -0.2714 -0.1491 -0.0893 -0.0669 -0.0466 -0.0169 0.0426 0.6146 0.6499 1.0635 1.1247 1.2851 1.3107 1.4060 1.4522 1.5088 1.5570 1.5752 1.6388 1.7201 1.7578 1.8043 1.8270 1.9177 1.9569 2.6402 2.6763 3.1203 3.1310 3.2881 3.3051 4.4101 4.4635 5.2463 5.2830 5.4578 5.5206 6.0101 6.0174 6.3853 6.4574 6.5448 6.6386 8.7616 8.8091 9.5058 9.5766 10.2011 10.2056 10.6088 10.6901 11.9806 12.2380 k = 0.3571 0.2062 0.2231 ( 5020 PWs) bands (ev): -5.6915 -5.6900 -5.5952 -5.5906 -5.1652 -5.1591 -0.8160 -0.8142 -0.3789 -0.3675 -0.2928 -0.2704 -0.1458 -0.0853 -0.0639 -0.0439 -0.0095 0.0490 0.6114 0.6508 1.0589 1.1305 1.2881 1.3112 1.4077 1.4461 1.5161 1.5630 1.5838 1.6444 1.7224 1.7597 1.8078 1.8287 1.9225 1.9625 2.6102 2.6472 3.0831 3.0962 3.3138 3.3302 4.3600 4.4114 5.2312 5.2645 5.4409 5.4977 5.9441 5.9527 6.3661 6.4436 6.5276 6.6285 8.7449 8.7895 9.4917 9.5578 10.2041 10.2082 10.5926 10.6749 11.9585 12.2206 k = 0.3690 0.2131 0.2231 ( 5012 PWs) bands (ev): -5.6804 -5.6789 -5.5781 -5.5734 -5.1710 -5.1651 -0.8143 -0.8122 -0.3760 -0.3659 -0.2884 -0.2697 -0.1419 -0.0823 -0.0593 -0.0410 -0.0029 0.0546 0.6080 0.6506 1.0552 1.1352 1.2910 1.3115 1.4092 1.4399 1.5236 1.5689 1.5927 1.6496 1.7254 1.7619 1.8102 1.8312 1.9264 1.9669 2.5837 2.6212 3.0430 3.0574 3.3451 3.3600 4.3165 4.3653 5.2160 5.2462 5.4254 5.4764 5.8755 5.8848 6.3490 6.4290 6.5150 6.6187 8.7305 8.7720 9.4819 9.5429 10.1992 10.2072 10.5848 10.6675 11.9336 12.2008 k = 0.3810 0.2199 0.2231 ( 5006 PWs) bands (ev): -5.6700 -5.6686 -5.5616 -5.5570 -5.1768 -5.1710 -0.8128 -0.8103 -0.3733 -0.3646 -0.2849 -0.2692 -0.1375 -0.0806 -0.0531 -0.0376 0.0030 0.0594 0.6047 0.6491 1.0525 1.1388 1.2937 1.3117 1.4105 1.4342 1.5310 1.5747 1.6017 1.6544 1.7292 1.7642 1.8116 1.8343 1.9290 1.9699 2.5607 2.5982 3.0032 3.0186 3.3773 3.3908 4.2803 4.3264 5.2001 5.2277 5.4114 5.4564 5.8057 5.8151 6.3341 6.4140 6.5062 6.6091 8.7179 8.7564 9.4760 9.5318 10.1890 10.2010 10.5848 10.6671 11.9073 12.1788 k = 0.3929 0.2268 0.2231 ( 4990 PWs) bands (ev): -5.6603 -5.6590 -5.5460 -5.5415 -5.1825 -5.1768 -0.8113 -0.8087 -0.3710 -0.3633 -0.2821 -0.2690 -0.1328 -0.0800 -0.0456 -0.0338 0.0079 0.0632 0.6016 0.6465 1.0512 1.1408 1.2961 1.3117 1.4115 1.4292 1.5383 1.5802 1.6109 1.6588 1.7338 1.7666 1.8121 1.8379 1.9299 1.9712 2.5412 2.5783 2.9653 2.9815 3.4082 3.4204 4.2524 4.2954 5.1832 5.2083 5.3988 5.4377 5.7365 5.7455 6.3215 6.3990 6.5004 6.5996 8.7071 8.7425 9.4739 9.5241 10.1754 10.1903 10.5914 10.6725 11.8808 12.1541 k = 0.4048 0.2337 0.2231 ( 4994 PWs) bands (ev): -5.6515 -5.6503 -5.5313 -5.5270 -5.1879 -5.1826 -0.8100 -0.8073 -0.3689 -0.3623 -0.2799 -0.2689 -0.1279 -0.0800 -0.0375 -0.0293 0.0119 0.0659 0.5988 0.6429 1.0511 1.1413 1.2982 1.3116 1.4122 1.4252 1.5456 1.5851 1.6200 1.6628 1.7396 1.7692 1.8122 1.8421 1.9287 1.9706 2.5251 2.5611 2.9303 2.9470 3.4362 3.4473 4.2335 4.2733 5.1646 5.1875 5.3879 5.4203 5.6699 5.6779 6.3111 6.3845 6.4968 6.5900 8.6978 8.7299 9.4749 9.5196 10.1598 10.1765 10.6031 10.6820 11.8554 12.1257 k = 0.4167 0.2406 0.2231 ( 4994 PWs) bands (ev): -5.6435 -5.6424 -5.5178 -5.5136 -5.1931 -5.1881 -0.8087 -0.8061 -0.3672 -0.3614 -0.2783 -0.2690 -0.1228 -0.0805 -0.0299 -0.0234 0.0149 0.0673 0.5964 0.6384 1.0525 1.1400 1.3001 1.3113 1.4126 1.4224 1.5527 1.5894 1.6291 1.6663 1.7466 1.7718 1.8118 1.8468 1.9251 1.9679 2.5122 2.5466 2.8988 2.9156 3.4602 3.4701 4.2242 4.2604 5.1436 5.1647 5.3785 5.4042 5.6078 5.6143 6.3030 6.3706 6.4951 6.5803 8.6899 8.7186 9.4784 9.5176 10.1438 10.1609 10.6183 10.6938 11.8324 12.0928 k = 0.4286 0.2474 0.2231 ( 5000 PWs) bands (ev): -5.6365 -5.6355 -5.5054 -5.5016 -5.1979 -5.1933 -0.8076 -0.8051 -0.3657 -0.3607 -0.2771 -0.2693 -0.1178 -0.0814 -0.0237 -0.0153 0.0169 0.0675 0.5948 0.6333 1.0552 1.1370 1.3017 1.3111 1.4128 1.4204 1.5596 1.5927 1.6378 1.6693 1.7549 1.7746 1.8112 1.8520 1.9192 1.9631 2.5025 2.5343 2.8714 2.8877 3.4794 3.4881 4.2242 4.2566 5.1197 5.1392 5.3706 5.3893 5.5525 5.5569 6.2971 6.3576 6.4949 6.5707 8.6834 8.7085 9.4838 9.5175 10.1283 10.1448 10.6359 10.7065 11.8129 12.0551 k = 0.4405 0.2543 0.2231 ( 5012 PWs) bands (ev): -5.6304 -5.6295 -5.4945 -5.4910 -5.2023 -5.1982 -0.8066 -0.8044 -0.3644 -0.3601 -0.2762 -0.2697 -0.1130 -0.0827 -0.0183 -0.0062 0.0180 0.0664 0.5938 0.6278 1.0593 1.1323 1.3031 1.3108 1.4130 1.4192 1.5662 1.5951 1.6460 1.6716 1.7645 1.7775 1.8106 1.8580 1.9111 1.9561 2.4956 2.5240 2.8484 2.8635 3.4938 3.5012 4.2326 4.2608 5.0931 5.1108 5.3641 5.3761 5.5055 5.5078 6.2933 6.3455 6.4961 6.5612 8.6783 8.6995 9.4905 9.5186 10.1142 10.1293 10.6546 10.7184 11.7981 12.0138 k = 0.4524 0.2612 0.2231 ( 5012 PWs) bands (ev): -5.6253 -5.6247 -5.4851 -5.4822 -5.2060 -5.2025 -0.8057 -0.8038 -0.3633 -0.3598 -0.2754 -0.2703 -0.1084 -0.0843 -0.0131 0.0028 0.0187 0.0640 0.5937 0.6222 1.0645 1.1263 1.3044 1.3106 1.4132 1.4184 1.5724 1.5965 1.6534 1.6733 1.7748 1.7805 1.8105 1.8648 1.9009 1.9474 2.4913 2.5155 2.8300 2.8432 3.5038 3.5098 4.2474 4.2710 5.0648 5.0803 5.3586 5.3650 5.4664 5.4698 6.2914 6.3344 6.4985 6.5519 8.6744 8.6917 9.4976 9.5201 10.1022 10.1152 10.6735 10.7284 11.7891 11.9708 k = 0.4643 0.2681 0.2231 ( 5012 PWs) bands (ev): -5.6214 -5.6208 -5.4775 -5.4752 -5.2089 -5.2062 -0.8050 -0.8035 -0.3624 -0.3597 -0.2747 -0.2709 -0.1042 -0.0861 -0.0080 0.0094 0.0205 0.0602 0.5945 0.6166 1.0709 1.1191 1.3055 1.3102 1.4137 1.4177 1.5782 1.5967 1.6598 1.6743 1.7828 1.7852 1.8123 1.8720 1.8894 1.9371 2.4892 2.5083 2.8162 2.8269 3.5103 3.5148 4.2656 4.2842 5.0372 5.0500 5.3530 5.3574 5.4364 5.4420 6.2914 6.3244 6.5021 6.5429 8.6719 8.6850 9.5045 9.5215 10.0928 10.1031 10.6915 10.7353 11.7868 11.9286 k = 0.4762 0.2749 0.2231 ( 5004 PWs) bands (ev): -5.6185 -5.6181 -5.4718 -5.4702 -5.2110 -5.2091 -0.8043 -0.8033 -0.3615 -0.3597 -0.2741 -0.2715 -0.1003 -0.0883 -0.0031 0.0107 0.0265 0.0553 0.5962 0.6113 1.0781 1.1112 1.3067 1.3098 1.4142 1.4170 1.5834 1.5960 1.6650 1.6744 1.7860 1.7908 1.8188 1.8723 1.8844 1.9260 2.4891 2.5023 2.8071 2.8146 3.5142 3.5173 4.2837 4.2967 5.0140 5.0232 5.3479 5.3527 5.4165 5.4227 6.2931 6.3155 6.5068 6.5343 8.6707 8.6795 9.5107 9.5221 10.0864 10.0936 10.7077 10.7383 11.7921 11.8892 k = 0.4881 0.2818 0.2231 ( 5004 PWs) bands (ev): -5.6167 -5.6165 -5.4681 -5.4673 -5.2120 -5.2111 -0.8038 -0.8033 -0.3609 -0.3600 -0.2735 -0.2722 -0.0967 -0.0908 0.0014 0.0088 0.0344 0.0492 0.5988 0.6064 1.0859 1.1028 1.3077 1.3093 1.4149 1.4164 1.5879 1.5942 1.6690 1.6736 1.7887 1.7921 1.8304 1.8591 1.8928 1.9146 2.4906 2.4973 2.8025 2.8063 3.5165 3.5180 4.2980 4.3047 4.9991 5.0039 5.3455 5.3488 5.4064 5.4105 6.2965 6.3078 6.5125 6.5263 8.6709 8.6754 9.5158 9.5215 10.0833 10.0869 10.7212 10.7369 11.8053 11.8547 k = 0.5000 0.2887 0.2231 ( 4996 PWs) bands (ev): -5.6160 -5.6160 -5.4666 -5.4666 -5.2121 -5.2121 -0.8035 -0.8035 -0.3603 -0.3603 -0.2728 -0.2728 -0.0936 -0.0936 0.0055 0.0055 0.0422 0.0422 0.6022 0.6022 1.0943 1.0943 1.3085 1.3085 1.4156 1.4156 1.5915 1.5915 1.6718 1.6718 1.7909 1.7909 1.8445 1.8445 1.9033 1.9033 2.4934 2.4934 2.8023 2.8023 3.5177 3.5177 4.3055 4.3055 4.9953 4.9953 5.3461 5.3461 5.4049 5.4049 6.3015 6.3015 6.5190 6.5190 8.6725 8.6725 9.5194 9.5194 10.0834 10.0834 10.7311 10.7311 11.8264 11.8264 k = 0.5000 0.2887 0.2231 ( 4996 PWs) bands (ev): -5.6160 -5.6160 -5.4666 -5.4666 -5.2121 -5.2121 -0.8035 -0.8035 -0.3603 -0.3603 -0.2728 -0.2728 -0.0936 -0.0936 0.0055 0.0055 0.0422 0.0422 0.6022 0.6022 1.0943 1.0943 1.3085 1.3085 1.4156 1.4156 1.5915 1.5915 1.6718 1.6718 1.7909 1.7909 1.8445 1.8445 1.9033 1.9033 2.4934 2.4934 2.8023 2.8023 3.5177 3.5177 4.3055 4.3055 4.9953 4.9953 5.3461 5.3461 5.4049 5.4049 6.3015 6.3015 6.5190 6.5190 8.6725 8.6725 9.5194 9.5194 10.0834 10.0834 10.7311 10.7311 11.8264 11.8264 k = 0.4933 0.3002 0.2231 ( 5012 PWs) bands (ev): -5.6158 -5.6156 -5.4666 -5.4665 -5.2123 -5.2121 -0.8035 -0.8034 -0.3605 -0.3594 -0.2742 -0.2713 -0.0941 -0.0933 0.0036 0.0073 0.0407 0.0435 0.5997 0.6054 1.0884 1.1004 1.3076 1.3093 1.4151 1.4167 1.5867 1.5957 1.6699 1.6728 1.7891 1.7915 1.8438 1.8463 1.9017 1.9057 2.4903 2.4974 2.7991 2.8075 3.5164 3.5187 4.3054 4.3065 4.9928 4.9970 5.3386 5.3416 5.3984 5.3987 6.3028 6.3041 6.5219 6.5240 8.6720 8.6728 9.5175 9.5228 10.0883 10.0967 10.7241 10.7295 11.8159 11.8416 k = 0.4867 0.3118 0.2231 ( 5006 PWs) bands (ev): -5.6148 -5.6144 -5.4664 -5.4663 -5.2126 -5.2122 -0.8034 -0.8032 -0.3600 -0.3578 -0.2755 -0.2696 -0.0949 -0.0933 0.0017 0.0091 0.0390 0.0445 0.5978 0.6092 1.0830 1.1067 1.3064 1.3100 1.4151 1.4183 1.5813 1.5993 1.6670 1.6728 1.7863 1.7909 1.8441 1.8492 1.9009 1.9086 2.4880 2.5021 2.7982 2.8148 3.5149 3.5195 4.3065 4.3086 4.9890 4.9977 5.3196 5.3259 5.3798 5.3807 6.3076 6.3096 6.5322 6.5367 8.6721 8.6736 9.5170 9.5277 10.1106 10.1275 10.7086 10.7198 11.8102 11.8613 k = 0.4800 0.3233 0.2231 ( 5002 PWs) bands (ev): -5.6132 -5.6126 -5.4662 -5.4661 -5.2130 -5.2125 -0.8032 -0.8028 -0.3587 -0.3556 -0.2765 -0.2679 -0.0959 -0.0935 -0.0001 0.0108 0.0371 0.0454 0.5967 0.6135 1.0779 1.1133 1.3052 1.3104 1.4158 1.4204 1.5754 1.6022 1.6634 1.6719 1.7828 1.7890 1.8453 1.8530 1.9010 1.9119 2.4867 2.5077 2.7994 2.8241 3.5131 3.5199 4.3085 4.3118 4.9833 4.9970 5.2909 5.3009 5.3510 5.3527 6.3138 6.3159 6.5489 6.5557 8.6743 8.6765 9.5178 9.5340 10.1488 10.1744 10.6855 10.7027 11.8092 11.8852 k = 0.4733 0.3349 0.2231 ( 5002 PWs) bands (ev): -5.6108 -5.6101 -5.4658 -5.4657 -5.2136 -5.2129 -0.8029 -0.8024 -0.3567 -0.3527 -0.2773 -0.2660 -0.0973 -0.0939 -0.0019 0.0123 0.0350 0.0461 0.5962 0.6183 1.0733 1.1199 1.3039 1.3107 1.4169 1.4230 1.5690 1.6044 1.6592 1.6702 1.7788 1.7862 1.8471 1.8572 1.9020 1.9152 2.4865 2.5139 2.8026 2.8353 3.5106 3.5198 4.3116 4.3160 4.9746 4.9941 5.2551 5.2692 5.3146 5.3173 6.3184 6.3199 6.5701 6.5796 8.6809 8.6838 9.5200 9.5418 10.2003 10.2349 10.6559 10.6797 11.8127 11.9128 k = 0.4667 0.3464 0.2231 ( 5002 PWs) bands (ev): -5.6079 -5.6070 -5.4654 -5.4652 -5.2143 -5.2134 -0.8025 -0.8020 -0.3540 -0.3492 -0.2779 -0.2641 -0.0988 -0.0945 -0.0036 0.0136 0.0327 0.0465 0.5965 0.6235 1.0693 1.1266 1.3026 1.3108 1.4186 1.4258 1.5622 1.6059 1.6544 1.6678 1.7746 1.7827 1.8493 1.8618 1.9038 1.9186 2.4874 2.5209 2.8078 2.8480 3.5074 3.5190 4.3156 4.3211 4.9613 4.9874 5.2156 5.2336 5.2743 5.2774 6.3185 6.3187 6.5943 6.6063 8.6944 8.6977 9.5235 9.5509 10.2618 10.3059 10.6221 10.6531 11.8202 11.9438 k = 0.4600 0.3580 0.2231 ( 5006 PWs) bands (ev): -5.6042 -5.6032 -5.4649 -5.4647 -5.2152 -5.2141 -0.8020 -0.8014 -0.3506 -0.3452 -0.2782 -0.2622 -0.1006 -0.0952 -0.0053 0.0147 0.0302 0.0468 0.5974 0.6289 1.0659 1.1334 1.3012 1.3108 1.4207 1.4290 1.5551 1.6067 1.6493 1.6650 1.7706 1.7787 1.8516 1.8664 1.9063 1.9218 2.4896 2.5286 2.8148 2.8623 3.5030 3.5171 4.3206 4.3273 4.9415 4.9741 5.1760 5.1953 5.2352 5.2363 6.3099 6.3114 6.6197 6.6340 8.7168 8.7204 9.5284 9.5612 10.3286 10.3823 10.5882 10.6265 11.8313 11.9776 k = 0.4533 0.3695 0.2231 ( 5014 PWs) bands (ev): -5.6000 -5.5988 -5.4644 -5.4641 -5.2161 -5.2149 -0.8014 -0.8008 -0.3464 -0.3407 -0.2783 -0.2602 -0.1025 -0.0960 -0.0069 0.0156 0.0276 0.0469 0.5990 0.6346 1.0633 1.1401 1.2997 1.3106 1.4233 1.4325 1.5478 1.6066 1.6440 1.6617 1.7667 1.7746 1.8540 1.8707 1.9093 1.9247 2.4930 2.5371 2.8234 2.8777 3.4973 3.5137 4.3265 4.3344 4.9135 4.9515 5.1392 5.1538 5.1984 5.2035 6.2919 6.2953 6.6447 6.6611 8.7496 8.7534 9.5346 9.5727 10.3919 10.4473 10.5701 10.6077 11.8452 12.0134 k = 0.4467 0.3811 0.2231 ( 5006 PWs) bands (ev): -5.5952 -5.5938 -5.4638 -5.4635 -5.2172 -5.2159 -0.8007 -0.8002 -0.3417 -0.3358 -0.2780 -0.2583 -0.1046 -0.0969 -0.0084 0.0162 0.0249 0.0468 0.6011 0.6402 1.0615 1.1466 1.2983 1.3103 1.4263 1.4361 1.5405 1.6058 1.6384 1.6583 1.7632 1.7707 1.8562 1.8746 1.9126 1.9272 2.4978 2.5465 2.8332 2.8941 3.4897 3.5086 4.3333 4.3425 4.8773 4.9180 5.1047 5.1103 5.1689 5.1817 6.2639 6.2693 6.6680 6.6859 8.7936 8.7973 9.5420 9.5851 10.4322 10.4545 10.6138 10.6155 11.8614 12.0505 k = 0.4400 0.3926 0.2231 ( 5000 PWs) bands (ev): -5.5898 -5.5883 -5.4632 -5.4629 -5.2185 -5.2169 -0.8000 -0.7996 -0.3363 -0.3306 -0.2773 -0.2564 -0.1067 -0.0978 -0.0099 0.0166 0.0221 0.0466 0.6039 0.6458 1.0606 1.1531 1.2968 1.3099 1.4295 1.4398 1.5334 1.6043 1.6328 1.6546 1.7602 1.7673 1.8581 1.8779 1.9161 1.9293 2.5040 2.5567 2.8440 2.9111 3.4799 3.5013 4.3410 4.3515 4.8345 4.8757 5.0676 5.0704 5.1508 5.1684 6.2259 6.2334 6.6883 6.7073 8.8487 8.8523 9.5507 9.5983 10.4228 10.4334 10.6654 10.7000 11.8788 12.0875 k = 0.4333 0.4041 0.2231 ( 5004 PWs) bands (ev): -5.5839 -5.5823 -5.4627 -5.4623 -5.2198 -5.2181 -0.7992 -0.7989 -0.3304 -0.3252 -0.2763 -0.2546 -0.1089 -0.0988 -0.0115 0.0166 0.0192 0.0462 0.6071 0.6512 1.0608 1.1593 1.2953 1.3093 1.4330 1.4435 1.5265 1.6020 1.6272 1.6507 1.7577 1.7645 1.8596 1.8804 1.9194 1.9308 2.5117 2.5678 2.8555 2.9285 3.4678 3.4915 4.3495 4.3614 4.7875 4.8282 5.0283 5.0372 5.1420 5.1611 6.1787 6.1882 6.7047 6.7244 8.9143 8.9177 9.5604 9.6120 10.3840 10.4118 10.7407 10.7962 11.8966 12.1225 k = 0.4267 0.4157 0.2231 ( 5012 PWs) bands (ev): -5.5776 -5.5758 -5.4622 -5.4618 -5.2212 -5.2195 -0.7985 -0.7982 -0.3240 -0.3198 -0.2748 -0.2529 -0.1109 -0.0996 -0.0131 0.0163 0.0163 0.0456 0.6108 0.6562 1.0621 1.1651 1.2937 1.3086 1.4367 1.4472 1.5201 1.5993 1.6216 1.6466 1.7559 1.7626 1.8606 1.8822 1.9226 1.9319 2.5210 2.5799 2.8672 2.9458 3.4529 3.4789 4.3589 4.3724 4.7388 4.7789 4.9938 5.0071 5.1387 5.1577 6.1231 6.1346 6.7166 6.7365 8.9893 8.9923 9.5711 9.6259 10.3453 10.3832 10.8249 10.8948 11.9135 12.1531 k = 0.4200 0.4272 0.2231 ( 5008 PWs) bands (ev): -5.5709 -5.5690 -5.4618 -5.4613 -5.2227 -5.2209 -0.7977 -0.7976 -0.3173 -0.3143 -0.2729 -0.2513 -0.1128 -0.1004 -0.0148 0.0135 0.0157 0.0449 0.6149 0.6608 1.0646 1.1706 1.2920 1.3077 1.4405 1.4508 1.5144 1.5962 1.6160 1.6424 1.7548 1.7616 1.8611 1.8832 1.9253 1.9325 2.5318 2.5930 2.8787 2.9627 3.4351 3.4632 4.3691 4.3843 4.6906 4.7304 4.9651 4.9819 5.1384 5.1567 6.0606 6.0741 6.7237 6.7435 9.0722 9.0750 9.5826 9.6397 10.3091 10.3538 10.9117 10.9930 11.9281 12.1758 k = 0.4133 0.4388 0.2231 ( 5016 PWs) bands (ev): -5.5638 -5.5618 -5.4615 -5.4610 -5.2243 -5.2224 -0.7969 -0.7969 -0.3103 -0.3089 -0.2705 -0.2499 -0.1143 -0.1010 -0.0167 0.0108 0.0149 0.0440 0.6192 0.6648 1.0683 1.1756 1.2901 1.3065 1.4444 1.4542 1.5093 1.5930 1.6107 1.6379 1.7543 1.7616 1.8610 1.8834 1.9275 1.9325 2.5442 2.6069 2.8899 2.9788 3.4146 3.4445 4.3802 4.3973 4.6447 4.6846 4.9428 4.9622 5.1393 5.1569 5.9925 6.0080 6.7260 6.7454 9.1615 9.1640 9.5948 9.6530 10.2763 10.3257 10.9981 11.0891 11.9389 12.1869 k = 0.4067 0.4503 0.2231 ( 5024 PWs) bands (ev): -5.5564 -5.5543 -5.4613 -5.4608 -5.2259 -5.2240 -0.7963 -0.7961 -0.3038 -0.3032 -0.2677 -0.2488 -0.1155 -0.1014 -0.0189 0.0083 0.0138 0.0430 0.6238 0.6682 1.0734 1.1800 1.2878 1.3052 1.4484 1.4575 1.5050 1.5897 1.6055 1.6334 1.7546 1.7627 1.8603 1.8828 1.9290 1.9321 2.5580 2.6218 2.9002 2.9938 3.3913 3.4229 4.3921 4.4113 4.6025 4.6427 4.9271 4.9484 5.1404 5.1572 5.9203 5.9377 6.7237 6.7425 9.2555 9.2579 9.6073 9.6654 10.2474 10.3001 11.0828 11.1820 11.9445 12.1842 k = 0.4000 0.4619 0.2231 ( 5022 PWs) bands (ev): -5.5487 -5.5466 -5.4613 -5.4608 -5.2276 -5.2256 -0.7957 -0.7954 -0.2989 -0.2960 -0.2646 -0.2479 -0.1162 -0.1016 -0.0213 0.0060 0.0125 0.0418 0.6285 0.6708 1.0797 1.1838 1.2852 1.3037 1.4524 1.4605 1.5015 1.5866 1.6008 1.6288 1.7556 1.7648 1.8591 1.8813 1.9298 1.9312 2.5733 2.6374 2.9096 3.0073 3.3657 3.3987 4.4045 4.4262 4.5653 4.6060 4.9179 4.9405 5.1408 5.1571 5.8454 5.8646 6.7174 6.7354 9.3522 9.3549 9.6203 9.6767 10.2227 10.2773 11.1648 11.2708 11.9436 12.1673 k = 0.3933 0.4734 0.2231 ( 5022 PWs) bands (ev): -5.5410 -5.5388 -5.4616 -5.4610 -5.2293 -5.2273 -0.7951 -0.7947 -0.2943 -0.2891 -0.2613 -0.2473 -0.1162 -0.1015 -0.0241 0.0040 0.0110 0.0405 0.6333 0.6727 1.0872 1.1868 1.2822 1.3021 1.4564 1.4633 1.4987 1.5839 1.5964 1.6241 1.7573 1.7677 1.8572 1.8791 1.9299 1.9299 2.5898 2.6534 2.9180 3.0191 3.3381 3.3722 4.4172 4.4417 4.5342 4.5753 4.9148 4.9381 5.1400 5.1557 5.7690 5.7902 6.7078 6.7247 9.4497 9.4533 9.6338 9.6867 10.2019 10.2572 11.2437 11.3547 11.9355 12.1383 k = 0.3867 0.4850 0.2231 ( 5022 PWs) bands (ev): -5.5331 -5.5309 -5.4621 -5.4615 -5.2310 -5.2291 -0.7946 -0.7940 -0.2900 -0.2824 -0.2579 -0.2471 -0.1156 -0.1011 -0.0271 0.0023 0.0095 0.0390 0.6380 0.6740 1.0959 1.1891 1.2786 1.3003 1.4603 1.4659 1.4965 1.5816 1.5926 1.6195 1.7597 1.7715 1.8548 1.8762 1.9282 1.9291 2.6073 2.6695 2.9256 3.0293 3.3090 3.3439 4.4291 4.4574 4.5107 4.5516 4.9174 4.9407 5.1374 5.1527 5.6927 5.7157 6.6957 6.7115 9.5445 9.5512 9.6495 9.6952 10.1848 10.2396 11.3191 11.4333 11.9206 12.0999 k = 0.3800 0.4965 0.2231 ( 5026 PWs) bands (ev): -5.5253 -5.5231 -5.4629 -5.4622 -5.2327 -5.2308 -0.7941 -0.7935 -0.2859 -0.2763 -0.2546 -0.2472 -0.1142 -0.1004 -0.0304 0.0008 0.0079 0.0373 0.6427 0.6745 1.1055 1.1904 1.2744 1.2986 1.4643 1.4682 1.4948 1.5798 1.5894 1.6149 1.7627 1.7759 1.8520 1.8727 1.9262 1.9277 2.6255 2.6852 2.9327 3.0379 3.2790 3.3144 4.4386 4.4720 4.4963 4.5358 4.9251 4.9476 5.1328 5.1475 5.6178 5.6425 6.6822 6.6967 9.6221 9.6465 9.6797 9.7027 10.1706 10.2241 11.3908 11.5064 11.9000 12.0550 k = 0.3733 0.5081 0.2231 ( 5022 PWs) bands (ev): -5.5176 -5.5155 -5.4640 -5.4633 -5.2342 -5.2325 -0.7936 -0.7930 -0.2819 -0.2707 -0.2517 -0.2478 -0.1121 -0.0995 -0.0337 -0.0003 0.0064 0.0355 0.6471 0.6744 1.1161 1.1908 1.2695 1.2969 1.4681 1.4704 1.4934 1.5787 1.5870 1.6105 1.7663 1.7810 1.8488 1.8686 1.9240 1.9255 2.6439 2.6997 2.9400 3.0452 3.2486 3.2842 4.4437 4.4833 4.4927 4.5297 4.9372 4.9580 5.1258 5.1398 5.5460 5.5721 6.6683 6.6812 9.6535 9.7048 9.7415 9.7515 10.1586 10.2100 11.4590 11.5736 11.8760 12.0068 k = 0.3667 0.5196 0.2231 ( 5018 PWs) bands (ev): -5.5101 -5.5080 -5.4655 -5.4648 -5.2357 -5.2341 -0.7932 -0.7925 -0.2780 -0.2659 -0.2491 -0.2487 -0.1094 -0.0984 -0.0371 -0.0012 0.0049 0.0336 0.6513 0.6738 1.1272 1.1902 1.2642 1.2955 1.4717 1.4724 1.4920 1.5780 1.5853 1.6062 1.7704 1.7865 1.8455 1.8640 1.9217 1.9228 2.6621 2.7121 2.9484 3.0521 3.2185 3.2539 4.4462 4.4899 4.4972 4.5338 4.9530 4.9707 5.1166 5.1295 5.4790 5.5059 6.6550 6.6662 9.6676 9.7099 9.8258 9.8339 10.1480 10.1967 11.5237 11.6347 11.8518 11.9581 k = 0.3600 0.5312 0.2231 ( 5018 PWs) bands (ev): -5.5029 -5.5010 -5.4673 -5.4667 -5.2370 -5.2356 -0.7928 -0.7922 -0.2742 -0.2620 -0.2500 -0.2471 -0.1061 -0.0974 -0.0403 -0.0019 0.0036 0.0318 0.6552 0.6728 1.1387 1.1888 1.2583 1.2944 1.4743 1.4751 1.4906 1.5779 1.5845 1.6020 1.7748 1.7921 1.8424 1.8591 1.9193 1.9198 2.6792 2.7216 2.9589 3.0592 3.1894 3.2239 4.4498 4.4945 4.5047 4.5439 4.9715 4.9843 5.1054 5.1167 5.4192 5.4459 6.6431 6.6525 9.6784 9.7124 9.9027 9.9106 10.1377 10.1837 11.5850 11.6892 11.8313 11.9115 k = 0.3533 0.5427 0.2231 ( 5018 PWs) bands (ev): -5.4961 -5.4944 -5.4696 -5.4690 -5.2380 -5.2369 -0.7925 -0.7920 -0.2705 -0.2590 -0.2515 -0.2457 -0.1027 -0.0964 -0.0432 -0.0023 0.0025 0.0299 0.6587 0.6714 1.1501 1.1865 1.2523 1.2936 1.4762 1.4780 1.4890 1.5783 1.5844 1.5981 1.7791 1.7975 1.8398 1.8540 1.9168 1.9170 2.6945 2.7274 2.9717 3.0678 3.1624 3.1947 4.4566 4.5000 4.5111 4.5549 4.9919 4.9970 5.0932 5.1020 5.3696 5.3941 6.6335 6.6409 9.6875 9.7136 9.9690 9.9773 10.1272 10.1705 11.6427 11.7342 11.8204 11.8695 k = 0.3467 0.5543 0.2231 ( 5018 PWs) bands (ev): -5.4899 -5.4885 -5.4724 -5.4717 -5.2388 -5.2380 -0.7922 -0.7918 -0.2670 -0.2575 -0.2529 -0.2448 -0.0995 -0.0957 -0.0454 -0.0023 0.0016 0.0284 0.6617 0.6698 1.1609 1.1835 1.2467 1.2930 1.4779 1.4803 1.4873 1.5789 1.5851 1.5944 1.7828 1.8023 1.8383 1.8491 1.9142 1.9150 2.7074 2.7295 2.9860 3.0788 3.1390 3.1665 4.4661 4.5066 4.5147 4.5638 5.0065 5.0127 5.0810 5.0860 5.3335 5.3529 6.6267 6.6318 9.6955 9.7133 10.0224 10.0305 10.1160 10.1574 11.6957 11.7622 11.8301 11.8340 k = 0.3400 0.5658 0.2231 ( 5018 PWs) bands (ev): -5.4845 -5.4833 -5.4756 -5.4750 -5.2392 -5.2388 -0.7920 -0.7918 -0.2636 -0.2583 -0.2533 -0.2443 -0.0971 -0.0955 -0.0469 -0.0018 0.0006 0.0273 0.6643 0.6681 1.1700 1.1800 1.2423 1.2928 1.4796 1.4817 1.4859 1.5797 1.5865 1.5910 1.7853 1.8056 1.8386 1.8446 1.9124 1.9133 2.7173 2.7281 2.9990 3.0929 3.1226 3.1398 4.4764 4.5125 4.5147 4.5692 5.0114 5.0321 5.0705 5.0707 5.3138 5.3246 6.6230 6.6257 9.7023 9.7114 10.0605 10.0659 10.1041 10.1466 11.7392 11.7750 11.8065 11.8606 k = 0.3333 0.5774 0.2231 ( 5022 PWs) bands (ev): -5.4810 -5.4795 -5.4782 -5.4782 -5.2392 -5.2392 -0.7919 -0.7919 -0.2606 -0.2606 -0.2532 -0.2442 -0.0958 -0.0958 -0.0473 -0.0007 -0.0007 0.0269 0.6663 0.6663 1.1760 1.1760 1.2405 1.2927 1.4811 1.4811 1.4854 1.5801 1.5883 1.5883 1.7861 1.8069 1.8409 1.8409 1.9122 1.9122 2.7240 2.7240 3.0046 3.1068 3.1188 3.1188 4.4819 4.5142 4.5142 4.5709 5.0124 5.0429 5.0637 5.0637 5.3113 5.3113 6.6228 6.6228 9.7078 9.7078 10.0774 10.0774 10.0967 10.1428 11.7579 11.7876 11.7876 11.8917 k = 0.3333 0.5774 0.2231 ( 5022 PWs) bands (ev): -5.4810 -5.4795 -5.4782 -5.4782 -5.2392 -5.2392 -0.7919 -0.7919 -0.2606 -0.2606 -0.2532 -0.2442 -0.0958 -0.0958 -0.0473 -0.0007 -0.0007 0.0269 0.6663 0.6663 1.1760 1.1760 1.2405 1.2927 1.4811 1.4811 1.4854 1.5801 1.5883 1.5883 1.7861 1.8069 1.8409 1.8409 1.9122 1.9122 2.7240 2.7240 3.0046 3.1068 3.1188 3.1188 4.4819 4.5142 4.5142 4.5709 5.0124 5.0429 5.0637 5.0637 5.3113 5.3113 6.6228 6.6228 9.7078 9.7078 10.0774 10.0774 10.0967 10.1428 11.7579 11.7876 11.7876 11.8917 k = 0.3265 0.5656 0.2231 ( 5018 PWs) bands (ev): -5.4843 -5.4833 -5.4755 -5.4754 -5.2392 -5.2387 -0.7921 -0.7918 -0.2637 -0.2581 -0.2534 -0.2442 -0.0967 -0.0959 -0.0469 -0.0024 0.0012 0.0273 0.6646 0.6678 1.1719 1.1777 1.2427 1.2928 1.4791 1.4826 1.4854 1.5793 1.5871 1.5907 1.7854 1.8056 1.8377 1.8452 1.9119 1.9141 2.7180 2.7277 2.9987 3.0880 3.1314 3.1361 4.4746 4.5083 4.5188 4.5692 5.0129 5.0362 5.0627 5.0762 5.3135 5.3242 6.6229 6.6259 9.7017 9.7116 10.0673 10.0680 10.0987 10.1429 11.7422 11.7760 11.8032 11.8560 k = 0.3197 0.5538 0.2231 ( 5022 PWs) bands (ev): -5.4893 -5.4884 -5.4731 -5.4728 -5.2387 -5.2377 -0.7924 -0.7918 -0.2672 -0.2565 -0.2544 -0.2440 -0.0983 -0.0973 -0.0461 -0.0048 0.0040 0.0287 0.6630 0.6688 1.1676 1.1750 1.2487 1.2928 1.4766 1.4839 1.4850 1.5771 1.5875 1.5932 1.7835 1.8022 1.8347 1.8504 1.9131 1.9185 2.7112 2.7288 2.9846 3.0655 3.1566 3.1628 4.4561 4.4931 4.5247 4.5635 5.0177 5.0301 5.0689 5.0938 5.3296 5.3489 6.6261 6.6323 9.6926 9.7132 10.0471 10.0524 10.0915 10.1366 11.7112 11.7710 11.7966 11.8432 k = 0.3129 0.5420 0.2231 ( 5026 PWs) bands (ev): -5.4949 -5.4940 -5.4720 -5.4713 -5.2376 -5.2360 -0.7928 -0.7918 -0.2710 -0.2561 -0.2559 -0.2432 -0.1004 -0.0997 -0.0452 -0.0076 0.0078 0.0308 0.6616 0.6691 1.1635 1.1692 1.2572 1.2928 1.4740 1.4840 1.4851 1.5743 1.5886 1.5960 1.7810 1.7974 1.8312 1.8555 1.9160 1.9253 2.7043 2.7281 2.9672 3.0443 3.1885 3.1928 4.4314 4.4704 4.5263 4.5522 5.0304 5.0318 5.0825 5.1139 5.3566 5.3818 6.6318 6.6416 9.6799 9.7117 10.0233 10.0364 10.0721 10.1198 11.6788 11.7631 11.7712 11.8628 k = 0.3061 0.5302 0.2231 ( 5022 PWs) bands (ev): -5.5012 -5.5003 -5.4722 -5.4711 -5.2360 -5.2338 -0.7933 -0.7920 -0.2751 -0.2581 -0.2569 -0.2420 -0.1029 -0.1028 -0.0447 -0.0109 0.0124 0.0334 0.6604 0.6689 1.1596 1.1618 1.2667 1.2926 1.4712 1.4824 1.4862 1.5713 1.5898 1.5987 1.7784 1.7919 1.8270 1.8595 1.9212 1.9340 2.6981 2.7265 2.9492 3.0247 3.2238 3.2251 4.4035 4.4431 4.5213 4.5345 5.0433 5.0525 5.1032 5.1373 5.3913 5.4205 6.6398 6.6532 9.6629 9.7059 9.9989 10.0212 10.0425 10.0933 11.6496 11.7308 11.7744 11.8832 k = 0.2993 0.5184 0.2231 ( 5028 PWs) bands (ev): -5.5082 -5.5073 -5.4738 -5.4722 -5.2337 -5.2310 -0.7940 -0.7923 -0.2793 -0.2609 -0.2584 -0.2407 -0.1063 -0.1057 -0.0446 -0.0146 0.0175 0.0362 0.6596 0.6682 1.1537 1.1561 1.2762 1.2922 1.4685 1.4802 1.4874 1.5682 1.5910 1.6014 1.7761 1.7861 1.8225 1.8621 1.9284 1.9439 2.6931 2.7246 2.9316 3.0067 3.2584 3.2603 4.3747 4.4140 4.5099 4.5115 5.0652 5.0826 5.1308 5.1644 5.4316 5.4633 6.6495 6.6668 9.6412 9.6946 9.9760 10.0001 10.0132 10.0594 11.6246 11.7027 11.7789 11.8995 k = 0.2925 0.5067 0.2231 ( 5022 PWs) bands (ev): -5.5158 -5.5149 -5.4767 -5.4746 -5.2308 -5.2275 -0.7947 -0.7926 -0.2838 -0.2642 -0.2605 -0.2397 -0.1100 -0.1087 -0.0449 -0.0184 0.0229 0.0389 0.6590 0.6671 1.1454 1.1528 1.2850 1.2915 1.4658 1.4774 1.4888 1.5651 1.5920 1.6040 1.7743 1.7804 1.8177 1.8631 1.9373 1.9546 2.6900 2.7234 2.9152 2.9901 3.2913 3.2964 4.3468 4.3855 4.4855 4.4938 5.0961 5.1178 5.1659 5.1955 5.4757 5.5091 6.6602 6.6816 9.6150 9.6769 9.9548 9.9575 10.0027 10.0219 11.6040 11.6788 11.7833 11.9109 k = 0.2857 0.4949 0.2231 ( 5018 PWs) bands (ev): -5.5241 -5.5232 -5.4810 -5.4785 -5.2274 -5.2236 -0.7956 -0.7931 -0.2885 -0.2679 -0.2628 -0.2392 -0.1138 -0.1116 -0.0456 -0.0223 0.0282 0.0414 0.6587 0.6656 1.1374 1.1500 1.2905 1.2927 1.4632 1.4743 1.4905 1.5619 1.5927 1.6064 1.7731 1.7750 1.8129 1.8631 1.9469 1.9655 2.6890 2.7233 2.9001 2.9750 3.3226 3.3307 4.3215 4.3592 4.4592 4.4758 5.1338 5.1545 5.2096 5.2309 5.5225 5.5571 6.6714 6.6971 9.5849 9.6525 9.9091 9.9306 9.9888 9.9975 11.5873 11.6586 11.7867 11.9175 k = 0.2789 0.4831 0.2231 ( 5014 PWs) bands (ev): -5.5330 -5.5321 -5.4866 -5.4837 -5.2234 -5.2191 -0.7966 -0.7938 -0.2934 -0.2720 -0.2653 -0.2394 -0.1176 -0.1145 -0.0465 -0.0262 0.0332 0.0433 0.6588 0.6638 1.1297 1.1475 1.2891 1.2991 1.4608 1.4709 1.4927 1.5587 1.5930 1.6085 1.7698 1.7726 1.8083 1.8621 1.9566 1.9762 2.6906 2.7249 2.8867 2.9614 3.3506 3.3617 4.3001 4.3366 4.4354 4.4589 5.1755 5.1908 5.2615 5.2710 5.5711 5.6066 6.6826 6.7127 9.5519 9.6225 9.8581 9.8945 9.9706 9.9962 11.5741 11.6415 11.7887 11.9200 k = 0.2721 0.4713 0.2231 ( 5014 PWs) bands (ev): -5.5426 -5.5416 -5.4934 -5.4902 -5.2190 -5.2143 -0.7977 -0.7946 -0.2984 -0.2765 -0.2679 -0.2403 -0.1213 -0.1171 -0.0476 -0.0301 0.0376 0.0445 0.6590 0.6619 1.1227 1.1452 1.2874 1.3040 1.4584 1.4673 1.4952 1.5555 1.5930 1.6104 1.7652 1.7727 1.8039 1.8606 1.9658 1.9862 2.6949 2.7286 2.8751 2.9491 3.3739 3.3877 4.2835 4.3186 4.4168 4.4460 5.2187 5.2268 5.3165 5.3198 5.6208 5.6571 6.6931 6.7277 9.5173 9.5887 9.8061 9.8487 9.9660 9.9984 11.5637 11.6270 11.7889 11.9189 k = 0.2653 0.4595 0.2231 ( 5014 PWs) bands (ev): -5.5527 -5.5518 -5.5015 -5.4980 -5.2142 -5.2091 -0.7989 -0.7955 -0.3037 -0.2812 -0.2707 -0.2421 -0.1249 -0.1193 -0.0488 -0.0339 0.0413 0.0450 0.6594 0.6598 1.1165 1.1432 1.2854 1.3075 1.4563 1.4636 1.4982 1.5522 1.5926 1.6120 1.7611 1.7734 1.7999 1.8587 1.9738 1.9952 2.7022 2.7348 2.8657 2.9384 3.3911 3.4073 4.2727 4.3058 4.4057 4.4394 5.2613 5.2626 5.3678 5.3828 5.6712 5.7082 6.7025 6.7416 9.4824 9.5529 9.7542 9.7997 9.9690 10.0037 11.5554 11.6144 11.7875 11.9149 k = 0.2585 0.4477 0.2231 ( 5016 PWs) bands (ev): -5.5636 -5.5627 -5.5107 -5.5069 -5.2091 -5.2037 -0.8002 -0.7966 -0.3092 -0.2861 -0.2735 -0.2447 -0.1283 -0.1212 -0.0500 -0.0375 0.0442 0.0446 0.6577 0.6599 1.1111 1.1413 1.2830 1.3094 1.4542 1.4600 1.5015 1.5488 1.5917 1.6134 1.7575 1.7746 1.7962 1.8563 1.9802 2.0028 2.7126 2.7437 2.8586 2.9292 3.4009 3.4192 4.2682 4.2988 4.4042 4.4411 5.2985 5.3025 5.4246 5.4492 5.7217 5.7593 6.7103 6.7540 9.4485 9.5168 9.7035 9.7503 9.9768 10.0117 11.5487 11.6033 11.7844 11.9082 k = 0.2517 0.4360 0.2231 ( 5016 PWs) bands (ev): -5.5750 -5.5741 -5.5210 -5.5170 -5.2037 -5.1980 -0.8016 -0.7979 -0.3149 -0.2911 -0.2764 -0.2481 -0.1315 -0.1226 -0.0513 -0.0410 0.0433 0.0462 0.6556 0.6604 1.1065 1.1394 1.2804 1.3101 1.4523 1.4564 1.5049 1.5454 1.5904 1.6145 1.7545 1.7763 1.7928 1.8537 1.9846 2.0088 2.7260 2.7557 2.8544 2.9219 3.4029 3.4229 4.2704 4.2979 4.4131 4.4521 5.3344 5.3420 5.4859 5.5181 5.7719 5.8102 6.7161 6.7642 9.4168 9.4820 9.6549 9.7023 9.9881 10.0221 11.5430 11.5933 11.7799 11.8995 k = 0.2449 0.4242 0.2231 ( 5022 PWs) bands (ev): -5.5870 -5.5861 -5.5323 -5.5282 -5.1981 -5.1922 -0.8031 -0.7993 -0.3208 -0.2962 -0.2795 -0.2521 -0.1345 -0.1237 -0.0525 -0.0443 0.0410 0.0473 0.6537 0.6608 1.1029 1.1373 1.2777 1.3097 1.4503 1.4533 1.5081 1.5420 1.5888 1.6154 1.7520 1.7783 1.7897 1.8507 1.9869 2.0128 2.7425 2.7710 2.8533 2.9165 3.3970 3.4184 4.2796 4.3035 4.4328 4.4729 5.3703 5.3803 5.5504 5.5887 5.8214 5.8605 6.7196 6.7721 9.3882 9.4496 9.6090 9.6566 10.0021 10.0347 11.5380 11.5840 11.7740 11.8889 k = 0.2381 0.4124 0.2231 ( 5022 PWs) bands (ev): -5.5995 -5.5986 -5.5445 -5.5403 -5.1923 -5.1863 -0.8047 -0.8009 -0.3270 -0.3012 -0.2828 -0.2565 -0.1372 -0.1244 -0.0537 -0.0475 0.0376 0.0474 0.6519 0.6610 1.1003 1.1350 1.2749 1.3085 1.4478 1.4510 1.5108 1.5387 1.5868 1.6160 1.7499 1.7805 1.7868 1.8474 1.9868 2.0149 2.7617 2.7895 2.8559 2.9134 3.3840 3.4064 4.2957 4.3157 4.4627 4.5032 5.4059 5.4175 5.6171 5.6603 5.8699 5.9099 6.7206 6.7773 9.3634 9.4203 9.5665 9.6140 10.0186 10.0492 11.5332 11.5751 11.7670 11.8769 k = 0.2313 0.4006 0.2231 ( 5034 PWs) bands (ev): -5.6125 -5.6116 -5.5576 -5.5533 -5.1865 -5.1804 -0.8064 -0.8027 -0.3332 -0.3061 -0.2866 -0.2611 -0.1398 -0.1248 -0.0548 -0.0504 0.0333 0.0465 0.6502 0.6608 1.0986 1.1324 1.2720 1.3066 1.4446 1.4496 1.5127 1.5356 1.5846 1.6162 1.7482 1.7828 1.7842 1.8439 1.9844 2.0148 2.7831 2.8115 2.8628 2.9128 3.3650 3.3883 4.3186 4.3344 4.5017 4.5421 5.4412 5.4538 5.6851 5.7324 5.9169 5.9581 6.7192 6.7798 9.3430 9.3948 9.5278 9.5750 10.0371 10.0654 11.5283 11.5665 11.7590 11.8636 k = 0.2245 0.3888 0.2231 ( 5036 PWs) bands (ev): -5.6260 -5.6251 -5.5714 -5.5672 -5.1806 -5.1744 -0.8082 -0.8047 -0.3396 -0.3110 -0.2911 -0.2655 -0.1421 -0.1249 -0.0560 -0.0531 0.0280 0.0446 0.6488 0.6603 1.0977 1.1293 1.2693 1.3044 1.4412 1.4487 1.5134 1.5327 1.5823 1.6162 1.7468 1.7818 1.7851 1.8400 1.9797 2.0127 2.8058 2.8368 2.8750 2.9149 3.3413 3.3655 4.3480 4.3596 4.5482 4.5884 5.4762 5.4894 5.7537 5.8041 5.9623 6.0051 6.7153 6.7796 9.3273 9.3733 9.4935 9.5403 10.0575 10.0833 11.5231 11.5582 11.7500 11.8492 k = 0.2177 0.3770 0.2231 ( 5036 PWs) bands (ev): -5.6399 -5.6390 -5.5860 -5.5818 -5.1747 -5.1684 -0.8101 -0.8069 -0.3461 -0.3158 -0.2964 -0.2695 -0.1442 -0.1249 -0.0570 -0.0557 0.0218 0.0419 0.6474 0.6592 1.0978 1.1257 1.2668 1.3020 1.4377 1.4482 1.5127 1.5301 1.5799 1.6159 1.7455 1.7797 1.7872 1.8358 1.9730 2.0086 2.8288 2.8653 2.8931 2.9199 3.3143 3.3397 4.3836 4.3910 4.6008 4.6408 5.5107 5.5242 5.8221 5.8747 6.0061 6.0511 6.7091 6.7768 9.3164 9.3561 9.4638 9.5101 10.0797 10.1027 11.5175 11.5499 11.7401 11.8337 k = 0.2109 0.3653 0.2231 ( 5032 PWs) bands (ev): -5.6541 -5.6533 -5.6012 -5.5970 -5.1688 -5.1625 -0.8120 -0.8093 -0.3525 -0.3205 -0.3024 -0.2730 -0.1461 -0.1248 -0.0582 -0.0580 0.0147 0.0383 0.6463 0.6575 1.0985 1.1214 1.2645 1.2996 1.4343 1.4478 1.5108 1.5276 1.5776 1.6152 1.7442 1.7776 1.7892 1.8314 1.9647 2.0028 2.8515 2.8968 2.9175 2.9281 3.2855 3.3126 4.4251 4.4282 4.6582 4.6979 5.5447 5.5582 5.8893 5.9428 6.0484 6.0965 6.7011 6.7718 9.3102 9.3431 9.4390 9.4847 10.1035 10.1236 11.5114 11.5419 11.7294 11.8171 k = 0.2041 0.3535 0.2231 ( 5036 PWs) bands (ev): -5.6687 -5.6679 -5.6170 -5.6129 -5.1629 -5.1566 -0.8140 -0.8118 -0.3590 -0.3252 -0.3092 -0.2760 -0.1478 -0.1247 -0.0605 -0.0590 0.0070 0.0340 0.6451 0.6551 1.0999 1.1167 1.2626 1.2973 1.4308 1.4476 1.5078 1.5248 1.5754 1.6141 1.7427 1.7758 1.7908 1.8267 1.9551 1.9956 2.8742 2.9295 2.9407 2.9469 3.2561 3.2857 4.4711 4.4721 4.7188 4.7585 5.5782 5.5916 5.9540 6.0065 6.0898 6.1428 6.6917 6.7649 9.3082 9.3341 9.4194 9.4643 10.1290 10.1457 11.5048 11.5342 11.7176 11.7991 k = 0.1973 0.3417 0.2231 ( 5040 PWs) bands (ev): -5.6836 -5.6828 -5.6333 -5.6293 -5.1570 -5.1508 -0.8162 -0.8145 -0.3654 -0.3299 -0.3165 -0.2787 -0.1493 -0.1246 -0.0627 -0.0600 -0.0014 0.0290 0.6440 0.6520 1.1018 1.1113 1.2609 1.2953 1.4273 1.4476 1.5041 1.5214 1.5733 1.6125 1.7409 1.7743 1.7919 1.8218 1.9448 1.9872 2.8977 2.9512 2.9693 2.9791 3.2279 3.2612 4.5190 4.5241 4.7817 4.8214 5.6112 5.6244 6.0142 6.0632 6.1318 6.1918 6.6815 6.7569 9.3100 9.3287 9.4052 9.4489 10.1559 10.1692 11.4977 11.5269 11.7047 11.7794 k = 0.1905 0.3299 0.2231 ( 5036 PWs) bands (ev): -5.6987 -5.6979 -5.6501 -5.6460 -5.1513 -5.1451 -0.8183 -0.8173 -0.3716 -0.3345 -0.3242 -0.2811 -0.1507 -0.1245 -0.0649 -0.0610 -0.0102 0.0235 0.6428 0.6481 1.1042 1.1054 1.2597 1.2936 1.4237 1.4476 1.4998 1.5174 1.5713 1.6104 1.7388 1.7730 1.7923 1.8170 1.9342 1.9779 2.9224 2.9686 3.0053 3.0111 3.2028 3.2420 4.5716 4.5807 4.8456 4.8856 5.6437 5.6566 6.0669 6.1107 6.1769 6.2453 6.6714 6.7484 9.3145 9.3265 9.3966 9.4383 10.1842 10.1938 11.4902 11.5202 11.6905 11.7572 k = 0.1837 0.3181 0.2231 ( 5032 PWs) bands (ev): -5.7139 -5.7132 -5.6671 -5.6632 -5.1456 -5.1395 -0.8206 -0.8203 -0.3777 -0.3392 -0.3320 -0.2836 -0.1519 -0.1246 -0.0671 -0.0621 -0.0192 0.0175 0.6415 0.6435 1.0991 1.1068 1.2588 1.2924 1.4202 1.4477 1.4949 1.5129 1.5692 1.6077 1.7364 1.7719 1.7916 1.8127 1.9237 1.9682 2.9480 2.9876 3.0386 3.0389 3.1854 3.2325 4.6284 4.6415 4.9096 4.9500 5.6758 5.6883 6.1096 6.1487 6.2272 6.3031 6.6622 6.7402 9.3208 9.3271 9.3937 9.4322 10.2137 10.2195 11.4821 11.5145 11.6745 11.7317 k = 0.1769 0.3063 0.2231 ( 5044 PWs) bands (ev): -5.7293 -5.7285 -5.6844 -5.6806 -5.1399 -5.1339 -0.8234 -0.8230 -0.3837 -0.3439 -0.3399 -0.2861 -0.1530 -0.1249 -0.0694 -0.0632 -0.0283 0.0112 0.6381 0.6399 1.0924 1.1095 1.2582 1.2916 1.4166 1.4477 1.4893 1.5082 1.5668 1.6045 1.7336 1.7712 1.7891 1.8095 1.9137 1.9583 2.9728 3.0064 3.0583 3.0626 3.1841 3.2384 4.6890 4.7059 4.9729 5.0138 5.7076 5.7197 6.1426 6.1786 6.2822 6.3631 6.6551 6.7332 9.3276 9.3298 9.3964 9.4301 10.2443 10.2462 11.4735 11.5099 11.6564 11.7014 k = 0.1701 0.2946 0.2231 ( 5036 PWs) bands (ev): -5.7447 -5.7440 -5.7019 -5.6982 -5.1344 -5.1285 -0.8266 -0.8254 -0.3894 -0.3488 -0.3477 -0.2888 -0.1540 -0.1255 -0.0719 -0.0645 -0.0370 0.0047 0.6319 0.6378 1.0855 1.1122 1.2580 1.2913 1.4130 1.4476 1.4829 1.5036 1.5642 1.6006 1.7307 1.7706 1.7850 1.8075 1.9045 1.9484 2.9920 3.0188 3.0720 3.0765 3.2057 3.2617 4.7526 4.7732 5.0345 5.0761 5.7391 5.7510 6.1680 6.2021 6.3396 6.4231 6.6514 6.7283 9.3342 9.3345 9.4041 9.4313 10.2738 10.2758 11.4638 11.5067 11.6357 11.6648 k = 0.1633 0.2828 0.2231 ( 5040 PWs) bands (ev): -5.7601 -5.7594 -5.7195 -5.7159 -5.1290 -5.1232 -0.8300 -0.8279 -0.3948 -0.3555 -0.3537 -0.2918 -0.1549 -0.1264 -0.0747 -0.0659 -0.0450 -0.0019 0.6250 0.6353 1.0785 1.1148 1.2581 1.2913 1.4095 1.4473 1.4759 1.4992 1.5612 1.5961 1.7277 1.7703 1.7796 1.8065 1.8963 1.9387 2.9983 3.0160 3.0912 3.0955 3.2436 3.2982 4.8187 4.8430 5.0939 5.1361 5.7706 5.7823 6.1876 6.2206 6.3972 6.4803 6.6533 6.7265 9.3397 9.3411 9.4152 9.4348 10.3020 10.3078 11.4517 11.5047 11.6126 11.6207 k = 0.1565 0.2710 0.2231 ( 5044 PWs) bands (ev): -5.7754 -5.7747 -5.7371 -5.7336 -5.1237 -5.1181 -0.8334 -0.8305 -0.4001 -0.3631 -0.3588 -0.2953 -0.1557 -0.1277 -0.0780 -0.0675 -0.0519 -0.0083 0.6174 0.6323 1.0715 1.1172 1.2585 1.2918 1.4059 1.4467 1.4681 1.4951 1.5576 1.5911 1.7248 1.7702 1.7737 1.8060 1.8889 1.9294 2.9915 3.0018 3.1207 3.1238 3.2892 3.3426 4.8867 4.9146 5.1504 5.1931 5.8021 5.8140 6.2031 6.2351 6.4536 6.5313 6.6641 6.7288 9.3455 9.3473 9.4281 9.4398 10.3310 10.3403 11.4343 11.5009 11.5713 11.5890 k = 0.1497 0.2592 0.2231 ( 5052 PWs) bands (ev): -5.7906 -5.7899 -5.7546 -5.7513 -5.1185 -5.1130 -0.8369 -0.8333 -0.4050 -0.3705 -0.3640 -0.2992 -0.1564 -0.1295 -0.0818 -0.0694 -0.0576 -0.0145 0.6092 0.6285 1.0648 1.1193 1.2591 1.2926 1.4024 1.4459 1.4599 1.4914 1.5536 1.5856 1.7222 1.7678 1.7703 1.8056 1.8826 1.9206 2.9780 2.9837 3.1572 3.1576 3.3383 3.3912 4.9556 4.9872 5.2037 5.2467 5.8340 5.8461 6.2153 6.2465 6.5076 6.5716 6.6882 6.7360 9.3509 9.3528 9.4412 9.4452 10.3605 10.3728 11.4060 11.4741 11.5380 11.5693 k = 0.1429 0.2474 0.2231 ( 5052 PWs) bands (ev): -5.8056 -5.8050 -5.7720 -5.7688 -5.1135 -5.1082 -0.8404 -0.8360 -0.4097 -0.3776 -0.3694 -0.3037 -0.1570 -0.1319 -0.0858 -0.0715 -0.0618 -0.0204 0.6005 0.6241 1.0584 1.1211 1.2599 1.2935 1.3990 1.4448 1.4515 1.4879 1.5491 1.5798 1.7199 1.7622 1.7706 1.8053 1.8770 1.9122 2.9621 2.9647 3.1952 3.1980 3.3889 3.4418 5.0247 5.0600 5.2535 5.2965 5.8662 5.8790 6.2253 6.2556 6.5584 6.6006 6.7264 6.7493 9.3552 9.3572 9.4499 9.4530 10.3905 10.4051 11.3620 11.4082 11.5384 11.5590 k = 0.1361 0.2357 0.2231 ( 5052 PWs) bands (ev): -5.8203 -5.8197 -5.7891 -5.7861 -5.1086 -5.1034 -0.8440 -0.8389 -0.4141 -0.3845 -0.3749 -0.3088 -0.1576 -0.1349 -0.0898 -0.0740 -0.0650 -0.0258 0.5914 0.6188 1.0525 1.1225 1.2609 1.2945 1.3956 1.4431 1.4433 1.4845 1.5442 1.5739 1.7181 1.7571 1.7710 1.8049 1.8722 1.9044 2.9456 2.9463 3.2356 3.2416 3.4399 3.4933 5.0929 5.1320 5.3000 5.3424 5.8988 5.9125 6.2342 6.2633 6.6053 6.6240 6.7691 6.7730 9.3575 9.3598 9.4529 9.4621 10.4211 10.4371 11.3018 11.3270 11.5511 11.5602 k = 0.1293 0.2239 0.2231 ( 5056 PWs) bands (ev): -5.8348 -5.8342 -5.8060 -5.8031 -5.1038 -5.0989 -0.8476 -0.8419 -0.4181 -0.3911 -0.3806 -0.3146 -0.1581 -0.1383 -0.0934 -0.0769 -0.0673 -0.0306 0.5818 0.6127 1.0472 1.1236 1.2621 1.2955 1.3924 1.4348 1.4415 1.4813 1.5391 1.5681 1.7167 1.7526 1.7716 1.8045 1.8679 1.8970 2.9288 2.9296 3.2783 3.2873 3.4906 3.5444 5.1590 5.2022 5.3436 5.3847 5.9317 5.9461 6.2436 6.2709 6.6469 6.6481 6.7956 6.8226 9.3569 9.3596 9.4531 9.4675 10.4523 10.4686 11.2291 11.2382 11.5707 11.5717 k = 0.1224 0.2121 0.2231 ( 5048 PWs) bands (ev): -5.8489 -5.8483 -5.8224 -5.8197 -5.0992 -5.0945 -0.8512 -0.8449 -0.4219 -0.3975 -0.3864 -0.3210 -0.1586 -0.1419 -0.0966 -0.0800 -0.0690 -0.0348 0.5721 0.6059 1.0426 1.1242 1.2634 1.2962 1.3892 1.4270 1.4392 1.4782 1.5340 1.5625 1.7158 1.7487 1.7724 1.8041 1.8642 1.8900 2.9126 2.9143 3.3230 3.3347 3.5402 3.5945 5.2218 5.2696 5.3852 5.4238 5.9642 5.9789 6.2553 6.2799 6.6720 6.6874 6.8279 6.8725 9.3527 9.3560 9.4498 9.4682 10.4844 10.4995 11.1449 11.1481 11.5924 11.5965 k = 0.1156 0.2003 0.2231 ( 5040 PWs) bands (ev): -5.8625 -5.8620 -5.8384 -5.8359 -5.0947 -5.0902 -0.8548 -0.8480 -0.4254 -0.4036 -0.3924 -0.3280 -0.1591 -0.1455 -0.0992 -0.0835 -0.0704 -0.0385 0.5622 0.5982 1.0388 1.1244 1.2647 1.2966 1.3862 1.4199 1.4367 1.4749 1.5289 1.5572 1.7153 1.7455 1.7733 1.8038 1.8608 1.8835 2.8977 2.9001 3.3691 3.3832 3.5882 3.6428 5.2800 5.3328 5.4255 5.4607 5.9951 6.0088 6.2722 6.2925 6.6999 6.7244 6.8644 6.9213 9.3443 9.3484 9.4420 9.4634 10.5174 10.5298 11.0490 11.0619 11.6212 11.6283 k = 0.1088 0.1885 0.2231 ( 5036 PWs) bands (ev): -5.8757 -5.8752 -5.8539 -5.8515 -5.0905 -5.0862 -0.8584 -0.8512 -0.4285 -0.4094 -0.3984 -0.3356 -0.1595 -0.1489 -0.1015 -0.0870 -0.0714 -0.0416 0.5522 0.5899 1.0358 1.1242 1.2661 1.2965 1.3834 1.4135 1.4338 1.4714 1.5241 1.5524 1.7153 1.7428 1.7745 1.8034 1.8577 1.8774 2.8842 2.8870 3.4164 3.4325 3.6340 3.6886 5.3327 5.3904 5.4655 5.4965 6.0225 6.0335 6.2975 6.3113 6.7307 6.7603 6.9032 6.9683 9.3313 9.3363 9.4292 9.4527 10.5510 10.5591 10.9523 10.9735 11.6577 11.6659 k = 0.1020 0.1767 0.2231 ( 5040 PWs) bands (ev): -5.8884 -5.8879 -5.8688 -5.8665 -5.0864 -5.0823 -0.8619 -0.8544 -0.4313 -0.4150 -0.4044 -0.3434 -0.1598 -0.1520 -0.1035 -0.0907 -0.0721 -0.0443 0.5423 0.5810 1.0336 1.1237 1.2675 1.2959 1.3807 1.4081 1.4308 1.4677 1.5198 1.5480 1.7157 1.7406 1.7758 1.8030 1.8548 1.8716 2.8719 2.8750 3.4644 3.4821 3.6773 3.7315 5.3796 5.4414 5.5057 5.5325 6.0440 6.0508 6.3336 6.3391 6.7639 6.7959 6.9428 7.0133 9.3136 9.3194 9.4111 9.4357 10.5837 10.5856 10.8577 10.8866 11.7010 11.7089 k = 0.0952 0.1650 0.2231 ( 5052 PWs) bands (ev): -5.9006 -5.9001 -5.8830 -5.8809 -5.0825 -5.0787 -0.8654 -0.8576 -0.4339 -0.4203 -0.4104 -0.3515 -0.1602 -0.1548 -0.1053 -0.0943 -0.0726 -0.0466 0.5327 0.5716 1.0323 1.1227 1.2689 1.2947 1.3783 1.4036 1.4276 1.4635 1.5161 1.5442 1.7163 1.7388 1.7773 1.8028 1.8520 1.8661 2.8609 2.8642 3.5127 3.5316 3.7176 3.7710 5.4213 5.4849 5.5457 5.5699 6.0582 6.0603 6.3775 6.3810 6.7990 6.8316 6.9821 7.0560 9.2913 9.2978 9.3876 9.4126 10.6024 10.6078 10.7738 10.8096 11.7503 11.7564 k = 0.0884 0.1532 0.2231 ( 5056 PWs) bands (ev): -5.9121 -5.9116 -5.8966 -5.8946 -5.0788 -5.0752 -0.8687 -0.8608 -0.4361 -0.4253 -0.4163 -0.3597 -0.1605 -0.1571 -0.1070 -0.0978 -0.0729 -0.0486 0.5233 0.5619 1.0318 1.1213 1.2702 1.2931 1.3762 1.4000 1.4244 1.4589 1.5131 1.5407 1.7172 1.7375 1.7790 1.8026 1.8494 1.8609 2.8511 2.8544 3.5608 3.5807 3.7546 3.8067 5.4591 5.5217 5.5849 5.6084 6.0632 6.0652 6.4266 6.4383 6.8354 6.8672 7.0205 7.0962 9.2648 9.2718 9.3588 9.3838 10.5880 10.5898 10.7349 10.7649 11.8046 11.8076 k = 0.0816 0.1414 0.2231 ( 5062 PWs) bands (ev): -5.9229 -5.9225 -5.9093 -5.9074 -5.0754 -5.0720 -0.8719 -0.8640 -0.4381 -0.4301 -0.4220 -0.3679 -0.1607 -0.1589 -0.1086 -0.1012 -0.0730 -0.0505 0.5143 0.5520 1.0321 1.1195 1.2714 1.2911 1.3744 1.3974 1.4212 1.4539 1.5108 1.5377 1.7184 1.7365 1.7808 1.8025 1.8468 1.8560 2.8424 2.8457 3.6082 3.6287 3.7883 3.8384 5.4942 5.5535 5.6225 5.6469 6.0610 6.0660 6.4844 6.5032 6.8724 6.9025 7.0575 7.1338 9.2348 9.2421 9.3252 9.3499 10.5155 10.5277 10.7555 10.7683 11.8613 11.8628 k = 0.0748 0.1296 0.2231 ( 5064 PWs) bands (ev): -5.9331 -5.9327 -5.9211 -5.9194 -5.0721 -5.0690 -0.8749 -0.8672 -0.4398 -0.4347 -0.4273 -0.3758 -0.1610 -0.1604 -0.1101 -0.1043 -0.0729 -0.0521 0.5058 0.5421 1.0331 1.1173 1.2725 1.2889 1.3730 1.3955 1.4182 1.4486 1.5092 1.5350 1.7196 1.7357 1.7828 1.8025 1.8442 1.8514 2.8348 2.8380 3.6546 3.6752 3.8185 3.8660 5.5277 5.5820 5.6582 5.6844 6.0553 6.0623 6.5487 6.5734 6.9095 6.9374 7.0927 7.1685 9.2022 9.2094 9.2876 9.3117 10.4246 10.4446 10.7963 10.7972 11.9160 11.9235 k = 0.0680 0.1178 0.2231 ( 5056 PWs) bands (ev): -5.9425 -5.9421 -5.9321 -5.9305 -5.0691 -5.0663 -0.8777 -0.8703 -0.4415 -0.4390 -0.4322 -0.3835 -0.1616 -0.1612 -0.1116 -0.1071 -0.0728 -0.0537 0.4980 0.5323 1.0347 1.1147 1.2734 1.2865 1.3720 1.3942 1.4153 1.4431 1.5081 1.5326 1.7210 1.7352 1.7850 1.8026 1.8417 1.8469 2.8281 2.8312 3.6992 3.7198 3.8452 3.8896 5.5600 5.6082 5.6917 5.7203 6.0470 6.0553 6.6172 6.6465 6.9464 6.9715 7.1258 7.2003 9.1679 9.1747 9.2470 9.2703 10.3311 10.3548 10.8357 10.8435 11.9704 11.9853 k = 0.0612 0.1060 0.2231 ( 5060 PWs) bands (ev): -5.9512 -5.9509 -5.9421 -5.9407 -5.0663 -5.0638 -0.8804 -0.8733 -0.4435 -0.4431 -0.4361 -0.3907 -0.1624 -0.1614 -0.1130 -0.1097 -0.0724 -0.0551 0.4908 0.5228 1.0370 1.1117 1.2741 1.2842 1.3714 1.3934 1.4127 1.4374 1.5077 1.5305 1.7225 1.7349 1.7873 1.8029 1.8391 1.8428 2.8224 2.8252 3.7417 3.7620 3.8686 3.9093 5.5914 5.6327 5.7232 5.7543 6.0369 6.0461 6.6873 6.7205 6.9828 7.0046 7.1566 7.2288 9.1331 9.1390 9.2044 9.2270 10.2386 10.2641 10.8787 10.8934 12.0229 12.0467 k = 0.0544 0.0943 0.2231 ( 5060 PWs) bands (ev): -5.9591 -5.9588 -5.9511 -5.9499 -5.0638 -5.0615 -0.8827 -0.8761 -0.4469 -0.4463 -0.4385 -0.3974 -0.1630 -0.1616 -0.1143 -0.1120 -0.0720 -0.0565 0.4844 0.5137 1.0398 1.1084 1.2746 1.2820 1.3713 1.3930 1.4102 1.4316 1.5076 1.5285 1.7239 1.7347 1.7898 1.8033 1.8365 1.8388 2.8175 2.8200 3.7815 3.8012 3.8889 3.9253 5.6217 5.6556 5.7527 5.7864 6.0254 6.0354 6.7569 6.7931 7.0185 7.0366 7.1849 7.2540 9.0988 9.1037 9.1613 9.1829 10.1491 10.1749 10.9238 10.9441 12.0724 12.1061 k = 0.0476 0.0825 0.2231 ( 5054 PWs) bands (ev): -5.9662 -5.9660 -5.9591 -5.9580 -5.0616 -5.0595 -0.8848 -0.8788 -0.4504 -0.4496 -0.4397 -0.4036 -0.1634 -0.1618 -0.1156 -0.1140 -0.0715 -0.0578 0.4788 0.5050 1.0430 1.1048 1.2749 1.2801 1.3717 1.3929 1.4081 1.4259 1.5079 1.5266 1.7254 1.7346 1.7924 1.8039 1.8338 1.8351 2.8133 2.8156 3.8180 3.8370 3.9063 3.9379 5.6505 5.6771 5.7802 5.8163 6.0130 6.0238 6.8238 6.8621 7.0534 7.0675 7.2107 7.2755 9.0660 9.0696 9.1191 9.1394 10.0641 10.0891 10.9694 10.9940 12.1177 12.1616 k = 0.0408 0.0707 0.2231 ( 5054 PWs) bands (ev): -5.9725 -5.9723 -5.9660 -5.9651 -5.0596 -5.0578 -0.8866 -0.8813 -0.4536 -0.4529 -0.4399 -0.4093 -0.1637 -0.1620 -0.1167 -0.1157 -0.0709 -0.0591 0.4741 0.4971 1.0466 1.1009 1.2750 1.2784 1.3727 1.3929 1.4061 1.4203 1.5085 1.5249 1.7268 1.7345 1.7950 1.8046 1.8311 1.8316 2.8098 2.8118 3.8508 3.8689 3.9212 3.9474 5.6775 5.6970 5.8057 5.8439 5.9998 6.0119 6.8857 6.9249 7.0877 7.0975 7.2339 7.2932 9.0358 9.0380 9.0790 9.0979 9.9851 10.0083 11.0142 11.0415 12.1585 12.2117 k = 0.0340 0.0589 0.2231 ( 5054 PWs) bands (ev): -5.9779 -5.9778 -5.9718 -5.9711 -5.0579 -5.0564 -0.8881 -0.8835 -0.4564 -0.4560 -0.4397 -0.4144 -0.1638 -0.1621 -0.1177 -0.1171 -0.0702 -0.0603 0.4704 0.4899 1.0506 1.0967 1.2750 1.2770 1.3741 1.3930 1.4044 1.4150 1.5093 1.5232 1.7282 1.7345 1.7978 1.8056 1.8283 1.8284 2.8070 2.8087 3.8792 3.8965 3.9339 3.9544 5.7022 5.7153 5.8291 5.8688 5.9860 6.0000 6.9405 6.9790 7.1209 7.1267 7.2545 7.3070 9.0089 9.0097 9.0428 9.0599 9.9138 9.9346 11.0568 11.0848 12.1945 12.2546 k = 0.0272 0.0471 0.2231 ( 5058 PWs) bands (ev): -5.9824 -5.9823 -5.9765 -5.9760 -5.0564 -5.0552 -0.8893 -0.8855 -0.4588 -0.4586 -0.4390 -0.4190 -0.1638 -0.1623 -0.1186 -0.1183 -0.0694 -0.0615 0.4677 0.4834 1.0549 1.0923 1.2749 1.2760 1.3760 1.3931 1.4030 1.4100 1.5103 1.5216 1.7294 1.7344 1.8006 1.8066 1.8252 1.8257 2.8048 2.8062 3.9030 3.9194 3.9448 3.9590 5.7238 5.7316 5.8501 5.8907 5.9718 5.9886 6.9866 7.0220 7.1525 7.1552 7.2724 7.3167 8.9855 8.9857 9.0119 9.0266 9.8521 9.8697 11.0957 11.1222 12.2261 12.2890 k = 0.0204 0.0353 0.2231 ( 5062 PWs) bands (ev): -5.9859 -5.9859 -5.9801 -5.9798 -5.0552 -5.0544 -0.8901 -0.8872 -0.4607 -0.4606 -0.4379 -0.4230 -0.1637 -0.1625 -0.1193 -0.1191 -0.0686 -0.0626 0.4660 0.4779 1.0593 1.0878 1.2748 1.2752 1.3784 1.3930 1.4017 1.4055 1.5114 1.5200 1.7305 1.7342 1.8033 1.8078 1.8225 1.8230 2.8032 2.8042 3.9217 3.9370 3.9540 3.9619 5.7417 5.7455 5.8688 5.9095 5.9574 5.9779 7.0234 7.0527 7.1810 7.1818 7.2876 7.3223 8.9658 8.9664 8.9878 8.9994 9.8020 9.8157 11.1294 11.1521 12.2539 12.3133 k = 0.0136 0.0236 0.2231 ( 5062 PWs) bands (ev): -5.9885 -5.9885 -5.9827 -5.9825 -5.0544 -5.0538 -0.8905 -0.8886 -0.4621 -0.4621 -0.4364 -0.4266 -0.1635 -0.1627 -0.1198 -0.1197 -0.0677 -0.0637 0.4654 0.4734 1.0640 1.0831 1.2746 1.2747 1.3812 1.3922 1.4007 1.4021 1.5127 1.5184 1.7315 1.7339 1.8060 1.8091 1.8200 1.8204 2.8021 2.8028 3.9356 3.9485 3.9613 3.9640 5.7552 5.7565 5.8853 5.9251 5.9430 5.9679 7.0507 7.0716 7.2040 7.2042 7.3001 7.3240 8.9510 8.9514 8.9715 8.9792 9.7652 9.7747 11.1563 11.1730 12.2784 12.3262 k = 0.0068 0.0118 0.2231 ( 5072 PWs) bands (ev): -5.9901 -5.9901 -5.9842 -5.9841 -5.0538 -5.0535 -0.8906 -0.8896 -0.4630 -0.4630 -0.4346 -0.4297 -0.1634 -0.1629 -0.1201 -0.1201 -0.0668 -0.0648 0.4658 0.4698 1.0687 1.0783 1.2744 1.2744 1.3843 1.3903 1.4000 1.4002 1.5140 1.5169 1.7323 1.7335 1.8085 1.8101 1.8181 1.8182 2.8015 2.8019 3.9450 3.9526 3.9661 3.9664 5.7635 5.7637 5.9002 5.9284 5.9383 5.9585 7.0691 7.0799 7.2192 7.2192 7.3100 7.3222 8.9417 8.9418 8.9627 8.9665 9.7434 9.7482 11.1751 11.1840 12.2997 12.3269 k = 0.0000 0.0000 0.2231 ( 5078 PWs) bands (ev): -5.9906 -5.9906 -5.9847 -5.9847 -5.0535 -5.0535 -0.8903 -0.8903 -0.4633 -0.4633 -0.4323 -0.4323 -0.1632 -0.1632 -0.1202 -0.1202 -0.0658 -0.0658 0.4673 0.4673 1.0735 1.0735 1.2743 1.2743 1.3875 1.3875 1.3997 1.3997 1.5154 1.5154 1.7330 1.7330 1.8100 1.8100 1.8173 1.8173 2.8014 2.8014 3.9508 3.9508 3.9678 3.9678 5.7663 5.7663 5.9144 5.9144 5.9489 5.9489 7.0789 7.0789 7.2245 7.2245 7.3174 7.3174 8.9385 8.9385 8.9611 8.9611 9.7377 9.7377 11.1846 11.1846 12.3168 12.3168 k = 0.5000 0.2887 0.2231 ( 4996 PWs) bands (ev): -5.6160 -5.6160 -5.4666 -5.4666 -5.2121 -5.2121 -0.8035 -0.8035 -0.3603 -0.3603 -0.2728 -0.2728 -0.0936 -0.0936 0.0055 0.0055 0.0422 0.0422 0.6022 0.6022 1.0943 1.0943 1.3085 1.3085 1.4156 1.4156 1.5915 1.5915 1.6718 1.6718 1.7909 1.7909 1.8445 1.8445 1.9033 1.9033 2.4934 2.4934 2.8023 2.8023 3.5177 3.5177 4.3055 4.3055 4.9953 4.9953 5.3461 5.3461 5.4049 5.4049 6.3015 6.3015 6.5190 6.5190 8.6725 8.6725 9.5194 9.5194 10.0834 10.0834 10.7311 10.7311 11.8264 11.8264 k = 0.5000 0.2887 0.2100 ( 5000 PWs) bands (ev): -5.6162 -5.6162 -5.4664 -5.4662 -5.2123 -5.2122 -0.8034 -0.8019 -0.3625 -0.3603 -0.2777 -0.2672 -0.0960 -0.0914 -0.0034 0.0111 0.0339 0.0535 0.5965 0.6091 1.0706 1.1171 1.2892 1.3259 1.4146 1.4169 1.5902 1.5922 1.6690 1.6729 1.7870 1.7937 1.8369 1.8564 1.8979 1.9110 2.4931 2.4942 2.7977 2.8035 3.5171 3.5273 4.2901 4.2974 4.9983 5.0151 5.3410 5.3512 5.3880 5.4179 6.2926 6.3080 6.5114 6.5267 8.6714 8.6836 9.5035 9.5153 10.0748 10.1012 10.7084 10.7397 11.7814 11.8867 k = 0.5000 0.2887 0.1969 ( 5010 PWs) bands (ev): -5.6168 -5.6166 -5.4655 -5.4651 -5.2129 -5.2126 -0.8016 -0.7986 -0.3664 -0.3627 -0.2815 -0.2612 -0.0986 -0.0895 -0.0131 0.0075 0.0350 0.0652 0.5919 0.6170 1.0463 1.1390 1.2682 1.3412 1.4139 1.4184 1.5883 1.5924 1.6643 1.6724 1.7826 1.7945 1.8340 1.8720 1.8945 1.9212 2.4933 2.4954 2.7904 2.8014 3.5254 3.5453 4.2547 4.2674 5.0210 5.0542 5.3374 5.3547 5.3686 5.4270 6.2824 6.3117 6.5046 6.5339 8.6805 8.7045 9.4701 9.4909 10.0761 10.1252 10.6737 10.7326 11.7548 11.9585 k = 0.5000 0.2887 0.1838 ( 4994 PWs) bands (ev): -5.6176 -5.6174 -5.4640 -5.4634 -5.2138 -5.2133 -0.7981 -0.7936 -0.3720 -0.3677 -0.2838 -0.2552 -0.1015 -0.0878 -0.0232 -0.0022 0.0425 0.0768 0.5886 0.6258 1.0216 1.1596 1.2459 1.3543 1.4135 1.4200 1.5857 1.5922 1.6583 1.6706 1.7780 1.7934 1.8353 1.8884 1.8953 1.9339 2.4941 2.4972 2.7808 2.7961 3.5421 3.5706 4.2057 4.2211 5.0549 5.1058 5.3363 5.3424 5.3632 5.4326 6.2718 6.3124 6.4992 6.5397 8.6996 8.7344 9.4229 9.4487 10.0853 10.1519 10.6298 10.7102 11.7476 12.0369 k = 0.5000 0.2887 0.1706 ( 4998 PWs) bands (ev): -5.6188 -5.6185 -5.4620 -5.4612 -5.2150 -5.2144 -0.7929 -0.7870 -0.3792 -0.3750 -0.2846 -0.2494 -0.1048 -0.0862 -0.0334 -0.0127 0.0515 0.0877 0.5865 0.6356 0.9967 1.1782 1.2231 1.3651 1.4135 1.4218 1.5824 1.5918 1.6513 1.6678 1.7736 1.7911 1.8393 1.8907 1.9139 1.9491 2.4955 2.4996 2.7699 2.7883 3.5659 3.6017 4.1493 4.1649 5.0884 5.1613 5.3120 5.3473 5.3699 5.4374 6.2620 6.3109 6.4954 6.5440 8.7282 8.7724 9.3654 9.3929 10.0992 10.1778 10.5792 10.6743 11.7589 12.1165 k = 0.5000 0.2887 0.1575 ( 5002 PWs) bands (ev): -5.6201 -5.6198 -5.4594 -5.4586 -5.2164 -5.2157 -0.7862 -0.7788 -0.3884 -0.3841 -0.2841 -0.2440 -0.1085 -0.0849 -0.0436 -0.0227 0.0608 0.0979 0.5856 0.6462 0.9719 1.1863 1.2086 1.3734 1.4141 1.4239 1.5786 1.5913 1.6436 1.6645 1.7696 1.7884 1.8447 1.8912 1.9373 1.9664 2.4977 2.5026 2.7583 2.7786 3.5948 3.6361 4.0911 4.1050 5.1106 5.2092 5.2811 5.3613 5.3844 5.4503 6.2539 6.3080 6.4929 6.5466 8.7654 8.8173 9.3004 9.3275 10.1146 10.2002 10.5247 10.6282 11.7862 12.1902 k = 0.5000 0.2887 0.1444 ( 5006 PWs) bands (ev): -5.6216 -5.6213 -5.4565 -5.4555 -5.2181 -5.2173 -0.7778 -0.7690 -0.3997 -0.3944 -0.2827 -0.2391 -0.1126 -0.0837 -0.0535 -0.0318 0.0701 0.1073 0.5861 0.6574 0.9473 1.1666 1.2198 1.3792 1.4155 1.4260 1.5744 1.5909 1.6357 1.6608 1.7661 1.7855 1.8508 1.8921 1.9622 1.9857 2.5007 2.5064 2.7467 2.7677 3.6254 3.6700 4.0366 4.0472 5.1164 5.2252 5.2597 5.3646 5.4190 5.4855 6.2484 6.3050 6.4912 6.5474 8.8103 8.8676 9.2306 9.2565 10.1286 10.2161 10.4696 10.5758 11.8264 12.2513 k = 0.5000 0.2887 0.1313 ( 5008 PWs) bands (ev): -5.6231 -5.6228 -5.4533 -5.4523 -5.2200 -5.2191 -0.7680 -0.7578 -0.4131 -0.4056 -0.2805 -0.2349 -0.1170 -0.0828 -0.0627 -0.0398 0.0792 0.1157 0.5878 0.6691 0.9234 1.1409 1.2353 1.3825 1.4175 1.4283 1.5700 1.5904 1.6277 1.6568 1.7632 1.7826 1.8569 1.8933 1.9878 2.0063 2.5047 2.5111 2.7357 2.7563 3.6520 3.6963 3.9913 4.0015 5.1077 5.1915 5.2630 5.3532 5.4750 5.5420 6.2459 6.3031 6.4898 6.5466 8.8615 8.9205 9.1580 9.1847 10.1386 10.2210 10.4194 10.5210 11.8764 12.3001 k = 0.5000 0.2887 0.1181 ( 5006 PWs) bands (ev): -5.6247 -5.6244 -5.4500 -5.4488 -5.2219 -5.2210 -0.7568 -0.7452 -0.4280 -0.4180 -0.2777 -0.2314 -0.1216 -0.0825 -0.0709 -0.0468 0.0880 0.1232 0.5908 0.6811 0.9006 1.1142 1.2503 1.3839 1.4199 1.4307 1.5657 1.5899 1.6200 1.6525 1.7610 1.7799 1.8629 1.8947 2.0135 2.0278 2.5097 2.5168 2.7256 2.7450 3.6648 3.7040 3.9623 3.9831 5.0876 5.1453 5.2618 5.3343 5.5421 5.6090 6.2467 6.3029 6.4883 6.5442 8.9163 8.9676 9.0856 9.1222 10.1417 10.2077 10.3819 10.4681 11.9334 12.3426 k = 0.5000 0.2887 0.1050 ( 5014 PWs) bands (ev): -5.6263 -5.6260 -5.4465 -5.4454 -5.2240 -5.2230 -0.7442 -0.7314 -0.4442 -0.4316 -0.2745 -0.2288 -0.1261 -0.0844 -0.0764 -0.0527 0.0964 0.1296 0.5951 0.6928 0.8795 1.0872 1.2645 1.3836 1.4225 1.4330 1.5618 1.5892 1.6129 1.6480 1.7595 1.7772 1.8686 1.8961 2.0384 2.0494 2.5159 2.5236 2.7166 2.7342 3.6545 3.6864 3.9617 3.9969 5.0580 5.0939 5.2558 5.3125 5.6127 5.6793 6.2508 6.3050 6.4862 6.5404 8.9546 8.9784 9.0284 9.1066 10.1341 10.1723 10.3622 10.4220 11.9949 12.3822 k = 0.5000 0.2887 0.0919 ( 5014 PWs) bands (ev): -5.6278 -5.6275 -5.4431 -5.4420 -5.2260 -5.2250 -0.7304 -0.7164 -0.4613 -0.4465 -0.2711 -0.2273 -0.1300 -0.0898 -0.0777 -0.0576 0.1045 0.1349 0.6007 0.7035 0.8608 1.0602 1.2777 1.3821 1.4250 1.4351 1.5584 1.5876 1.6073 1.6434 1.7585 1.7748 1.8739 1.8974 2.0619 2.0703 2.5233 2.5315 2.7090 2.7243 3.6237 3.6496 3.9894 4.0350 5.0185 5.0395 5.2477 5.2905 5.6826 5.7482 6.2579 6.3095 6.4834 6.5354 8.9138 8.9274 9.0628 9.1510 10.1110 10.1220 10.3550 10.3872 12.0588 12.4190 k = 0.5000 0.2887 0.0788 ( 5016 PWs) bands (ev): -5.6292 -5.6289 -5.4398 -5.4388 -5.2280 -5.2270 -0.7156 -0.7004 -0.4791 -0.4624 -0.2673 -0.2268 -0.1332 -0.0963 -0.0775 -0.0616 0.1120 0.1392 0.6076 0.7120 0.8461 1.0335 1.2901 1.3796 1.4274 1.4369 1.5556 1.5846 1.6038 1.6386 1.7580 1.7725 1.8788 1.8985 2.0835 2.0900 2.5317 2.5403 2.7027 2.7156 3.5829 3.6043 4.0354 4.0866 4.9674 4.9860 5.2390 5.2702 5.7490 5.8124 6.2679 6.3162 6.4799 6.5292 8.8520 8.8610 9.1285 9.2132 10.0587 10.0779 10.3522 10.3664 12.1230 12.4510 k = 0.5000 0.2887 0.0656 ( 5012 PWs) bands (ev): -5.6304 -5.6302 -5.4368 -5.4359 -5.2298 -5.2289 -0.6998 -0.6838 -0.4972 -0.4792 -0.2634 -0.2274 -0.1352 -0.1026 -0.0771 -0.0649 0.1190 0.1424 0.6157 0.7164 0.8373 1.0072 1.3016 1.3762 1.4297 1.4383 1.5537 1.5801 1.6026 1.6339 1.7580 1.7704 1.8831 1.8993 2.1026 2.1076 2.5408 2.5496 2.6978 2.7082 3.5404 3.5579 4.0913 4.1448 4.9077 4.9328 5.2307 5.2528 5.8100 5.8692 6.2804 6.3248 6.4758 6.5218 8.7919 8.7985 9.1986 9.2794 9.9958 10.0290 10.3483 10.3587 12.1857 12.4753 k = 0.5000 0.2887 0.0525 ( 5016 PWs) bands (ev): -5.6315 -5.6313 -5.4341 -5.4333 -5.2313 -5.2306 -0.6833 -0.6667 -0.5155 -0.4967 -0.2593 -0.2290 -0.1360 -0.1086 -0.0765 -0.0675 0.1252 0.1445 0.6249 0.7151 0.8360 0.9816 1.3123 1.3720 1.4318 1.4392 1.5527 1.5749 1.6031 1.6292 1.7583 1.7684 1.8870 1.8998 2.1188 2.1226 2.5503 2.5588 2.6942 2.7023 3.5009 3.5149 4.1520 4.2051 4.8458 4.8771 5.2234 5.2385 5.8638 5.9162 6.2950 6.3343 6.4714 6.5133 8.7384 8.7435 9.2697 9.3456 9.9322 9.9731 10.3453 10.3570 12.2451 12.4891 k = 0.5000 0.2887 0.0394 ( 5006 PWs) bands (ev): -5.6323 -5.6322 -5.4319 -5.4313 -5.2326 -5.2320 -0.6665 -0.6498 -0.5332 -0.5146 -0.2552 -0.2315 -0.1356 -0.1142 -0.0759 -0.0695 0.1308 0.1456 0.6354 0.7083 0.8423 0.9569 1.3222 1.3670 1.4338 1.4396 1.5525 1.5698 1.6046 1.6246 1.7590 1.7666 1.8904 1.8999 2.1317 2.1345 2.5594 2.5669 2.6918 2.6980 3.4675 3.4781 4.2137 4.2636 4.7859 4.8202 5.2175 5.2273 5.9089 5.9518 6.3109 6.3436 6.4677 6.5037 8.6942 8.6981 9.3398 9.4087 9.8706 9.9143 10.3448 10.3559 12.3000 12.4907 k = 0.5000 0.2887 0.0263 ( 5006 PWs) bands (ev): -5.6329 -5.6328 -5.4302 -5.4298 -5.2335 -5.2332 -0.6498 -0.6343 -0.5491 -0.5322 -0.2509 -0.2347 -0.1340 -0.1193 -0.0752 -0.0712 0.1356 0.1456 0.6468 0.6977 0.8545 0.9331 1.3314 1.3613 1.4355 1.4396 1.5533 1.5650 1.6067 1.6203 1.7598 1.7650 1.8932 1.8995 2.1412 2.1430 2.5672 2.5730 2.6906 2.6949 3.4425 3.4496 4.2724 4.3142 4.7338 4.7656 5.2134 5.2193 5.9445 5.9749 6.3267 6.3508 6.4659 6.4933 8.6613 8.6640 9.4063 9.4636 9.8158 9.8567 10.3460 10.3545 12.3494 12.4800 k = 0.5000 0.2887 0.0131 ( 5010 PWs) bands (ev): -5.6332 -5.6332 -5.4292 -5.4289 -5.2341 -5.2339 -0.6345 -0.6238 -0.5597 -0.5482 -0.2466 -0.2384 -0.1314 -0.1240 -0.0744 -0.0725 0.1395 0.1445 0.6591 0.6851 0.8707 0.9106 1.3399 1.3549 1.4370 1.4391 1.5550 1.5609 1.6095 1.6163 1.7609 1.7635 1.8955 1.8987 2.1471 2.1480 2.5731 2.5762 2.6906 2.6928 3.4275 3.4311 4.3215 4.3471 4.6991 4.7198 5.2113 5.2140 5.9694 5.9852 6.3403 6.3534 6.4677 6.4828 8.6413 8.6426 9.4635 9.4994 9.7785 9.8062 10.3480 10.3526 12.3926 12.4588 k = 0.5000 0.2887-0.0000 ( 5006 PWs) bands (ev): -5.6333 -5.6333 -5.4287 -5.4287 -5.2342 -5.2342 -0.6239 -0.6239 -0.5593 -0.5593 -0.2425 -0.2425 -0.1280 -0.1280 -0.0735 -0.0735 0.1425 0.1425 0.6720 0.6720 0.8896 0.8896 1.3478 1.3478 1.4382 1.4382 1.5575 1.5575 1.6127 1.6127 1.7621 1.7621 1.8973 1.8973 2.1493 2.1493 2.5762 2.5762 2.6913 2.6913 3.4236 3.4236 4.3501 4.3501 4.6939 4.6939 5.2114 5.2114 5.9832 5.9832 6.3498 6.3498 6.4737 6.4737 8.6349 8.6349 9.4999 9.4999 9.7748 9.7748 10.3503 10.3503 12.4293 12.4293 k = 0.3333 0.5774-0.0000 ( 5004 PWs) bands (ev): -5.5476 -5.5476 -5.3312 -5.3276 -5.3276 -5.3180 -0.6331 -0.6005 -0.6005 -0.5493 -0.1446 -0.1446 -0.0950 -0.0371 -0.0371 -0.0326 0.0382 0.0382 0.6833 0.7715 0.9117 0.9117 1.3815 1.3815 1.4891 1.4891 1.5508 1.6191 1.6593 1.6593 1.8385 1.8385 1.8819 1.8819 1.8884 1.8951 2.8767 2.8767 2.9497 3.0010 3.0010 3.0443 3.7607 3.7607 4.6052 4.6283 4.6493 4.6493 5.8086 5.8086 6.2834 6.2834 6.3942 6.4038 8.8507 8.8507 9.5440 9.6583 9.7606 9.7606 12.4354 12.4641 12.4641 12.4967 k = 0.3333 0.5774 0.0131 ( 5001 PWs) bands (ev): -5.5474 -5.5473 -5.3365 -5.3358 -5.3188 -5.3137 -0.6372 -0.6202 -0.5801 -0.5447 -0.1458 -0.1437 -0.0950 -0.0390 -0.0358 -0.0324 0.0371 0.0389 0.6816 0.7747 0.8923 0.9314 1.3805 1.3826 1.4864 1.4908 1.5505 1.6189 1.6561 1.6626 1.8291 1.8453 1.8749 1.8877 1.8888 1.8957 2.8693 2.8830 2.9424 2.9892 3.0149 3.0515 3.7638 3.7654 4.5745 4.6108 4.6623 4.6911 5.8004 5.8057 6.2124 6.3214 6.3489 6.4704 8.8565 8.8593 9.5265 9.6820 9.7164 9.8100 12.4264 12.4323 12.4847 12.4938 k = 0.3333 0.5774 0.0263 ( 5010 PWs) bands (ev): -5.5467 -5.5465 -5.3457 -5.3439 -5.3103 -5.3063 -0.6475 -0.6393 -0.5592 -0.5330 -0.1475 -0.1432 -0.0951 -0.0416 -0.0351 -0.0320 0.0358 0.0393 0.6770 0.7837 0.8734 0.9515 1.3798 1.3840 1.4831 1.4915 1.5496 1.6183 1.6535 1.6656 1.8182 1.8457 1.8719 1.8861 1.8941 1.8972 2.8605 2.8888 2.9251 2.9800 3.0302 3.0687 3.7748 3.7779 4.5384 4.5763 4.7083 4.7359 5.7813 5.7919 6.1367 6.2387 6.4081 6.5344 8.8764 8.8821 9.4946 9.6786 9.7322 9.8638 12.3911 12.4017 12.4831 12.4918 k = 0.3333 0.5774 0.0394 ( 5010 PWs) bands (ev): -5.5455 -5.5452 -5.3550 -5.3528 -5.3021 -5.2986 -0.6609 -0.6576 -0.5378 -0.5174 -0.1495 -0.1432 -0.0954 -0.0448 -0.0349 -0.0313 0.0342 0.0394 0.6710 0.7972 0.8549 0.9718 1.3793 1.3854 1.4791 1.4910 1.5481 1.6173 1.6518 1.6678 1.8064 1.8385 1.8749 1.8841 1.8974 1.8990 2.8504 2.8944 2.9039 2.9739 3.0459 3.0895 3.7934 3.7981 4.5062 4.5463 4.7569 4.7831 5.7519 5.7677 6.0570 6.1518 6.4605 6.5902 8.9101 8.9184 9.4652 9.6477 9.7920 9.9207 12.3422 12.3651 12.4619 12.4839 k = 0.3333 0.5774 0.0525 ( 5010 PWs) bands (ev): -5.5439 -5.5434 -5.3644 -5.3620 -5.2943 -5.2911 -0.6755 -0.6751 -0.5162 -0.4998 -0.1519 -0.1437 -0.0956 -0.0485 -0.0352 -0.0303 0.0324 0.0391 0.6646 0.8139 0.8368 0.9924 1.3790 1.3866 1.4746 1.4893 1.5460 1.6159 1.6509 1.6682 1.7941 1.8283 1.8802 1.8820 1.8986 1.9008 2.8389 2.8816 2.9002 2.9709 3.0615 3.1108 3.8192 3.8255 4.4790 4.5213 4.8073 4.8321 5.7132 5.7340 5.9742 6.0614 6.5055 6.6372 8.9564 8.9673 9.4430 9.6244 9.8560 9.9795 12.2868 12.3195 12.4290 12.4609 k = 0.3333 0.5774 0.0656 ( 5016 PWs) bands (ev): -5.5417 -5.5411 -5.3739 -5.3714 -5.2868 -5.2839 -0.6916 -0.6902 -0.4943 -0.4810 -0.1548 -0.1449 -0.0959 -0.0527 -0.0360 -0.0290 0.0305 0.0386 0.6586 0.8193 0.8332 1.0132 1.3786 1.3875 1.4697 1.4865 1.5433 1.6141 1.6508 1.6663 1.7816 1.8184 1.8798 1.8856 1.8977 1.9025 2.8266 2.8596 2.9064 2.9710 3.0763 3.1309 3.8519 3.8596 4.4573 4.5017 4.8589 4.8824 5.6661 5.6919 5.8890 5.9686 6.5429 6.6747 9.0143 9.0276 9.4298 9.6090 9.9214 10.0388 12.2263 12.2671 12.3851 12.4240 k = 0.3333 0.5774 0.0788 ( 5016 PWs) bands (ev): -5.5390 -5.5383 -5.3834 -5.3808 -5.2798 -5.2771 -0.7070 -0.7046 -0.4723 -0.4617 -0.1582 -0.1468 -0.0963 -0.0573 -0.0370 -0.0275 0.0283 0.0377 0.6533 0.8024 0.8546 1.0343 1.3780 1.3875 1.4647 1.4829 1.5401 1.6121 1.6510 1.6614 1.7695 1.8105 1.8775 1.8907 1.8949 1.9042 2.8138 2.8386 2.9132 2.9740 3.0897 3.1487 3.8909 3.9001 4.4417 4.4880 4.9110 4.9334 5.6120 5.6426 5.8021 5.8742 6.5725 6.7026 9.0823 9.0980 9.4263 9.6016 9.9863 10.0973 12.1621 12.2098 12.3319 12.3749 k = 0.3333 0.5774 0.0919 ( 5004 PWs) bands (ev): -5.5359 -5.5350 -5.3929 -5.3903 -5.2732 -5.2707 -0.7214 -0.7184 -0.4502 -0.4421 -0.1624 -0.1497 -0.0967 -0.0621 -0.0383 -0.0258 0.0261 0.0367 0.6489 0.7860 0.8778 1.0554 1.3768 1.3859 1.4599 1.4789 1.5364 1.6097 1.6508 1.6535 1.7586 1.8056 1.8752 1.8904 1.8951 1.9056 2.8009 2.8189 2.9208 2.9794 3.1012 3.1636 3.9358 3.9463 4.4326 4.4803 4.9631 4.9844 5.5520 5.5876 5.7145 5.7788 6.5946 6.7208 9.1590 9.1771 9.4324 9.6018 10.0487 10.1532 12.0959 12.1497 12.2716 12.3156 k = 0.3333 0.5774 0.1050 ( 4998 PWs) bands (ev): -5.5322 -5.5313 -5.4024 -5.3998 -5.2671 -5.2649 -0.7346 -0.7313 -0.4281 -0.4225 -0.1673 -0.1535 -0.0971 -0.0671 -0.0398 -0.0239 0.0237 0.0355 0.6456 0.7704 0.9027 1.0767 1.3747 1.3817 1.4558 1.4750 1.5322 1.6072 1.6435 1.6493 1.7500 1.8036 1.8728 1.8844 1.8989 1.9070 2.7883 2.8008 2.9292 2.9872 3.1104 3.1748 3.9858 3.9976 4.4303 4.4789 5.0145 5.0347 5.4875 5.5281 5.6269 5.6834 6.6096 6.7299 9.2429 9.2634 9.4475 9.6090 10.1065 10.2046 12.0295 12.0887 12.2068 12.2488 k = 0.3333 0.5774 0.1181 ( 5004 PWs) bands (ev): -5.5282 -5.5271 -5.4118 -5.4092 -5.2616 -5.2595 -0.7466 -0.7432 -0.4063 -0.4029 -0.1731 -0.1586 -0.0974 -0.0719 -0.0413 -0.0218 0.0213 0.0341 0.6433 0.7554 0.9291 1.0980 1.3711 1.3737 1.4531 1.4720 1.5275 1.6046 1.6323 1.6453 1.7446 1.8042 1.8702 1.8772 1.9022 1.9081 2.7763 2.7844 2.9384 2.9970 3.1170 3.1822 4.0405 4.0534 4.4347 4.4837 5.0643 5.0834 5.4195 5.4657 5.5402 5.5888 6.6185 6.7309 9.3323 9.3556 9.4706 9.6223 10.1576 10.2494 11.9652 12.0294 12.1401 12.1776 k = 0.3333 0.5774 0.1313 ( 5013 PWs) bands (ev): -5.5236 -5.5224 -5.4210 -5.4185 -5.2566 -5.2548 -0.7572 -0.7540 -0.3846 -0.3836 -0.1800 -0.1649 -0.0977 -0.0766 -0.0427 -0.0195 0.0187 0.0327 0.6422 0.7412 0.9569 1.1193 1.3611 1.3656 1.4524 1.4702 1.5225 1.6019 1.6214 1.6385 1.7430 1.8066 1.8675 1.8690 1.9049 1.9091 2.7652 2.7699 2.9483 3.0086 3.1209 3.1855 4.0990 4.1129 4.4453 4.4941 5.1119 5.1295 5.3493 5.4019 5.4553 5.4959 6.6222 6.7250 9.4255 9.4521 9.5001 9.6405 10.1993 10.2850 11.9054 11.9742 12.0738 12.1051 k = 0.3333 0.5774 0.1444 ( 5031 PWs) bands (ev): -5.5186 -5.5173 -5.4301 -5.4276 -5.2522 -5.2506 -0.7665 -0.7635 -0.3645 -0.3634 -0.1880 -0.1727 -0.0979 -0.0808 -0.0440 -0.0171 0.0161 0.0314 0.6423 0.7278 0.9859 1.1404 1.3438 1.3579 1.4535 1.4701 1.5171 1.5991 1.6116 1.6293 1.7450 1.8104 1.8600 1.8646 1.9070 1.9100 2.7551 2.7574 2.9586 3.0218 3.1223 3.1849 4.1606 4.1754 4.4612 4.5096 5.1561 5.1715 5.2784 5.3386 5.3735 5.4062 6.6221 6.7135 9.5199 9.5341 9.5516 9.6627 10.2293 10.3091 11.8530 11.9257 12.0107 12.0344 k = 0.3333 0.5774 0.1575 ( 5037 PWs) bands (ev): -5.5132 -5.5118 -5.4391 -5.4366 -5.2484 -5.2471 -0.7744 -0.7718 -0.3458 -0.3425 -0.1972 -0.1818 -0.0980 -0.0846 -0.0450 -0.0145 0.0134 0.0301 0.6435 0.7152 1.0160 1.1613 1.3222 1.3482 1.4561 1.4716 1.5114 1.5965 1.6035 1.6185 1.7499 1.8150 1.8505 1.8614 1.9087 1.9107 2.7462 2.7469 2.9692 3.0364 3.1214 3.1805 4.2244 4.2397 4.4811 4.5285 5.1948 5.2051 5.2086 5.2806 5.2957 5.3222 6.6196 6.6983 9.5705 9.6097 9.6526 9.6915 10.2451 10.3189 11.8104 11.8860 11.9535 11.9683 k = 0.3333 0.5774 0.1706 ( 5019 PWs) bands (ev): -5.5074 -5.5058 -5.4478 -5.4455 -5.2452 -5.2441 -0.7809 -0.7787 -0.3275 -0.3223 -0.2077 -0.1924 -0.0980 -0.0879 -0.0459 -0.0119 0.0106 0.0290 0.6458 0.7035 1.0470 1.1817 1.2971 1.3366 1.4599 1.4744 1.5055 1.5941 1.5973 1.6073 1.7567 1.8201 1.8405 1.8579 1.9100 1.9113 2.7384 2.7386 2.9796 3.0520 3.1188 3.1728 4.2891 4.3045 4.5025 4.5486 5.1427 5.1988 5.2135 5.2234 5.2598 5.2604 6.6164 6.6811 9.6068 9.6720 9.7457 9.7534 10.2448 10.3125 11.7798 11.8554 11.9066 11.9094 k = 0.3333 0.5774 0.1838 ( 5019 PWs) bands (ev): -5.5012 -5.4995 -5.4563 -5.4541 -5.2427 -5.2419 -0.7859 -0.7842 -0.3098 -0.3027 -0.2193 -0.2044 -0.0978 -0.0906 -0.0465 -0.0092 0.0078 0.0281 0.6493 0.6928 1.0787 1.2012 1.2693 1.3237 1.4645 1.4779 1.4994 1.5919 1.5929 1.5968 1.7648 1.8254 1.8304 1.8542 1.9109 1.9117 2.7318 2.7325 2.9892 3.0684 3.1150 3.1622 4.3527 4.3679 4.5218 4.5663 5.0849 5.1516 5.1582 5.1629 5.2703 5.2802 6.6139 6.6634 9.6408 9.6984 9.8299 9.8523 10.2272 10.2890 11.7618 11.8300 11.8601 11.8777 k = 0.3333 0.5774 0.1969 ( 5022 PWs) bands (ev): -5.4946 -5.4928 -5.4646 -5.4624 -5.2409 -5.2403 -0.7894 -0.7883 -0.2927 -0.2840 -0.2321 -0.2178 -0.0974 -0.0928 -0.0470 -0.0064 0.0050 0.0274 0.6539 0.6829 1.1110 1.2193 1.2394 1.3103 1.4697 1.4816 1.4933 1.5881 1.5901 1.5901 1.7735 1.8204 1.8307 1.8501 1.9116 1.9120 2.7273 2.7280 2.9972 3.0852 3.1110 3.1493 4.4120 4.4270 4.5340 4.5764 5.0413 5.1024 5.1077 5.1096 5.2909 5.2982 6.6135 6.6470 9.6702 9.7107 9.9181 9.9472 10.1924 10.2485 11.7553 11.8066 11.8224 11.8719 k = 0.3333 0.5774 0.2100 ( 5022 PWs) bands (ev): -5.4876 -5.4857 -5.4725 -5.4705 -5.2397 -5.2394 -0.7914 -0.7908 -0.2763 -0.2663 -0.2459 -0.2322 -0.0968 -0.0945 -0.0472 -0.0036 0.0022 0.0270 0.6596 0.6741 1.1435 1.2081 1.2340 1.2983 1.4753 1.4843 1.4872 1.5822 1.5887 1.5889 1.7818 1.8114 1.8359 1.8456 1.9120 1.9122 2.7247 2.7251 3.0026 3.1022 3.1080 3.1347 4.4604 4.4775 4.5331 4.5755 5.0176 5.0606 5.0747 5.0763 5.3052 5.3089 6.6162 6.6332 9.6930 9.7137 10.0018 10.0351 10.1418 10.1934 11.7562 11.7910 11.7980 11.8846 k = 0.3333 0.5774 0.2231 ( 5022 PWs) bands (ev): -5.4810 -5.4795 -5.4782 -5.4782 -5.2392 -5.2392 -0.7919 -0.7919 -0.2606 -0.2606 -0.2532 -0.2442 -0.0958 -0.0958 -0.0473 -0.0007 -0.0007 0.0269 0.6663 0.6663 1.1760 1.1760 1.2405 1.2927 1.4811 1.4811 1.4854 1.5801 1.5883 1.5883 1.7861 1.8069 1.8409 1.8409 1.9122 1.9122 2.7240 2.7240 3.0046 3.1068 3.1188 3.1188 4.4819 4.5142 4.5142 4.5709 5.0124 5.0429 5.0637 5.0637 5.3113 5.3113 6.6228 6.6228 9.7078 9.7078 10.0774 10.0774 10.0967 10.1428 11.7579 11.7876 11.7876 11.8917 Writing output data file HgSe.save init_run : 0.66s CPU 0.84s WALL ( 1 calls) electrons : 612.81s CPU 615.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.05s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 612.80s CPU 615.96s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.23s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 292 calls) cegterg : 589.50s CPU 592.39s WALL ( 622 calls) Called by sum_band: Called by *egterg: h_psi : 340.12s CPU 346.32s WALL ( 11404 calls) s_psi : 23.43s CPU 23.64s WALL ( 11404 calls) g_psi : 1.13s CPU 1.17s WALL ( 10490 calls) cdiaghg : 177.41s CPU 173.24s WALL ( 10782 calls) cegterg:over : 28.38s CPU 25.96s WALL ( 10490 calls) cegterg:upda : 8.38s CPU 11.89s WALL ( 10490 calls) cegterg:last : 8.15s CPU 9.15s WALL ( 2402 calls) Called by h_psi: h_psi:vloc : 311.94s CPU 314.80s WALL ( 11404 calls) h_psi:vnl : 27.97s CPU 30.95s WALL ( 11404 calls) add_vuspsi : 12.52s CPU 16.02s WALL ( 11404 calls) General routines calbec : 15.45s CPU 14.90s WALL ( 11404 calls) fft : 0.03s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 305.63s CPU 297.05s WALL ( 1877320 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.15s WALL ( 584 calls) Parallel routines fft_scatter : 269.69s CPU 186.77s WALL ( 1877343 calls) PWSCF : 10m38.59s CPU 10m48.95s WALL This run was terminated on: 14:49:35 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=