Program PWSCF v.5.1.1 starts on 28Jul2015 at 4:27:50 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: ./SiC.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 12 3 2073 807 129 Max 24 13 4 2088 826 150 Sum 745 397 121 66507 26079 4543 bravais-lattice index = 14 lattice parameter (alat) = 5.7259 a.u. unit-cell volume = 663.7157 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.725870 celldm(2)= 1.000000 celldm(3)= 4.082508 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 4.082508 ) 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 0.244947 ) PseudoPot. # 1 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential C 4.00 12.01070 C( 1.00) Si 4.00 28.08550 Si( 1.00) 6 Sym. Ops. (no inversion) found 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 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 C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v 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 3s_v -3s_v 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 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0083333 0.0048113 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0166667 0.0096225 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0026455 k( 7) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0583333 0.0336788 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0026455 k( 10) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0026455 k( 11) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0026455 k( 12) = ( 0.0916667 0.0529238 -0.0000000), wk = 0.0026455 k( 13) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0026455 k( 14) = ( 0.1083333 0.0625463 -0.0000000), wk = 0.0026455 k( 15) = ( 0.1166667 0.0673575 -0.0000000), wk = 0.0026455 k( 16) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0026455 k( 17) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0026455 k( 18) = ( 0.1416667 0.0817913 -0.0000000), wk = 0.0026455 k( 19) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0026455 k( 20) = ( 0.1583333 0.0914138 -0.0000000), wk = 0.0026455 k( 21) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0026455 k( 22) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0026455 k( 23) = ( 0.1833333 0.1058475 -0.0000000), wk = 0.0026455 k( 24) = ( 0.1916667 0.1106588 -0.0000000), wk = 0.0026455 k( 25) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0026455 k( 26) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0026455 k( 27) = ( 0.2166667 0.1250926 -0.0000000), wk = 0.0026455 k( 28) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0026455 k( 29) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0026455 k( 30) = ( 0.2416667 0.1395263 -0.0000000), wk = 0.0026455 k( 31) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0026455 k( 32) = ( 0.2583333 0.1491488 -0.0000000), wk = 0.0026455 k( 33) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0026455 k( 34) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0026455 k( 35) = ( 0.2833333 0.1635826 -0.0000000), wk = 0.0026455 k( 36) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0026455 k( 37) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0026455 k( 38) = ( 0.3083333 0.1780163 -0.0000000), wk = 0.0026455 k( 39) = ( 0.3166667 0.1828276 -0.0000000), wk = 0.0026455 k( 40) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0026455 k( 41) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0026455 k( 42) = ( 0.3416667 0.1972613 -0.0000000), wk = 0.0026455 k( 43) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0026455 k( 44) = ( 0.3583333 0.2068838 -0.0000000), wk = 0.0026455 k( 45) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0026455 k( 46) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0026455 k( 47) = ( 0.3833333 0.2213176 -0.0000000), wk = 0.0026455 k( 48) = ( 0.3916667 0.2261289 -0.0000000), wk = 0.0026455 k( 49) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0026455 k( 50) = ( 0.4083333 0.2357514 -0.0000000), wk = 0.0026455 k( 51) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0026455 k( 52) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0026455 k( 53) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0026455 k( 54) = ( 0.4416667 0.2549964 -0.0000000), wk = 0.0026455 k( 55) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0026455 k( 56) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0026455 k( 57) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0026455 k( 58) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0026455 k( 59) = ( 0.4833333 0.2790526 -0.0000000), wk = 0.0026455 k( 60) = ( 0.4916667 0.2838639 -0.0000000), wk = 0.0026455 k( 61) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026455 k( 62) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026455 k( 63) = ( 0.4952381 0.2969230 -0.0000000), wk = 0.0026455 k( 64) = ( 0.4904762 0.3051709 -0.0000000), wk = 0.0026455 k( 65) = ( 0.4857143 0.3134187 -0.0000000), wk = 0.0026455 k( 66) = ( 0.4809524 0.3216666 -0.0000000), wk = 0.0026455 k( 67) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0026455 k( 68) = ( 0.4714286 0.3381623 -0.0000000), wk = 0.0026455 k( 69) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0026455 k( 70) = ( 0.4619048 0.3546580 -0.0000000), wk = 0.0026455 k( 71) = ( 0.4571429 0.3629059 -0.0000000), wk = 0.0026455 k( 72) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0026455 k( 73) = ( 0.4476191 0.3794016 -0.0000000), wk = 0.0026455 k( 74) = ( 0.4428571 0.3876495 -0.0000000), wk = 0.0026455 k( 75) = ( 0.4380952 0.3958973 -0.0000000), wk = 0.0026455 k( 76) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0026455 k( 77) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0026455 k( 78) = ( 0.4238095 0.4206409 -0.0000000), wk = 0.0026455 k( 79) = ( 0.4190476 0.4288888 -0.0000000), wk = 0.0026455 k( 80) = ( 0.4142857 0.4371366 -0.0000000), wk = 0.0026455 k( 81) = ( 0.4095238 0.4453845 -0.0000000), wk = 0.0026455 k( 82) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0026455 k( 83) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0026455 k( 84) = ( 0.3952381 0.4701281 -0.0000000), wk = 0.0026455 k( 85) = ( 0.3904762 0.4783759 -0.0000000), wk = 0.0026455 k( 86) = ( 0.3857143 0.4866238 -0.0000000), wk = 0.0026455 k( 87) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0026455 k( 88) = ( 0.3761905 0.5031195 -0.0000000), wk = 0.0026455 k( 89) = ( 0.3714286 0.5113674 -0.0000000), wk = 0.0026455 k( 90) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0026455 k( 91) = ( 0.3619048 0.5278631 -0.0000000), wk = 0.0026455 k( 92) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0026455 k( 93) = ( 0.3523810 0.5443588 -0.0000000), wk = 0.0026455 k( 94) = ( 0.3476190 0.5526067 -0.0000000), wk = 0.0026455 k( 95) = ( 0.3428571 0.5608545 -0.0000000), wk = 0.0026455 k( 96) = ( 0.3380952 0.5691024 -0.0000000), wk = 0.0026455 k( 97) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026455 k( 98) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026455 k( 99) = ( 0.3285714 0.5691024 -0.0000000), wk = 0.0026455 k( 100) = ( 0.3238095 0.5608545 -0.0000000), wk = 0.0026455 k( 101) = ( 0.3190476 0.5526067 -0.0000000), wk = 0.0026455 k( 102) = ( 0.3142857 0.5443588 -0.0000000), wk = 0.0026455 k( 103) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0026455 k( 104) = ( 0.3047619 0.5278631 -0.0000000), wk = 0.0026455 k( 105) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0026455 k( 106) = ( 0.2952381 0.5113674 -0.0000000), wk = 0.0026455 k( 107) = ( 0.2904762 0.5031195 -0.0000000), wk = 0.0026455 k( 108) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0026455 k( 109) = ( 0.2809524 0.4866238 -0.0000000), wk = 0.0026455 k( 110) = ( 0.2761905 0.4783759 -0.0000000), wk = 0.0026455 k( 111) = ( 0.2714286 0.4701281 -0.0000000), wk = 0.0026455 k( 112) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0026455 k( 113) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0026455 k( 114) = ( 0.2571429 0.4453845 -0.0000000), wk = 0.0026455 k( 115) = ( 0.2523809 0.4371366 -0.0000000), wk = 0.0026455 k( 116) = ( 0.2476191 0.4288888 -0.0000000), wk = 0.0026455 k( 117) = ( 0.2428571 0.4206409 -0.0000000), wk = 0.0026455 k( 118) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0026455 k( 119) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0026455 k( 120) = ( 0.2285714 0.3958973 -0.0000000), wk = 0.0026455 k( 121) = ( 0.2238095 0.3876495 -0.0000000), wk = 0.0026455 k( 122) = ( 0.2190476 0.3794016 -0.0000000), wk = 0.0026455 k( 123) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0026455 k( 124) = ( 0.2095238 0.3629059 -0.0000000), wk = 0.0026455 k( 125) = ( 0.2047619 0.3546580 -0.0000000), wk = 0.0026455 k( 126) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0026455 k( 127) = ( 0.1952381 0.3381623 -0.0000000), wk = 0.0026455 k( 128) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0026455 k( 129) = ( 0.1857143 0.3216666 -0.0000000), wk = 0.0026455 k( 130) = ( 0.1809524 0.3134187 -0.0000000), wk = 0.0026455 k( 131) = ( 0.1761905 0.3051709 -0.0000000), wk = 0.0026455 k( 132) = ( 0.1714286 0.2969230 -0.0000000), wk = 0.0026455 k( 133) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0026455 k( 134) = ( 0.1619048 0.2804273 -0.0000000), wk = 0.0026455 k( 135) = ( 0.1571429 0.2721794 -0.0000000), wk = 0.0026455 k( 136) = ( 0.1523809 0.2639315 -0.0000000), wk = 0.0026455 k( 137) = ( 0.1476191 0.2556837 -0.0000000), wk = 0.0026455 k( 138) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0026455 k( 139) = ( 0.1380952 0.2391880 -0.0000000), wk = 0.0026455 k( 140) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0026455 k( 141) = ( 0.1285714 0.2226922 -0.0000000), wk = 0.0026455 k( 142) = ( 0.1238095 0.2144444 -0.0000000), wk = 0.0026455 k( 143) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0026455 k( 144) = ( 0.1142857 0.1979487 -0.0000000), wk = 0.0026455 k( 145) = ( 0.1095238 0.1897008 -0.0000000), wk = 0.0026455 k( 146) = ( 0.1047619 0.1814529 -0.0000000), wk = 0.0026455 k( 147) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0026455 k( 148) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0026455 k( 149) = ( 0.0904762 0.1567094 -0.0000000), wk = 0.0026455 k( 150) = ( 0.0857143 0.1484615 -0.0000000), wk = 0.0026455 k( 151) = ( 0.0809524 0.1402136 -0.0000000), wk = 0.0026455 k( 152) = ( 0.0761905 0.1319658 -0.0000000), wk = 0.0026455 k( 153) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0026455 k( 154) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0026455 k( 155) = ( 0.0619048 0.1072222 -0.0000000), wk = 0.0026455 k( 156) = ( 0.0571429 0.0989743 -0.0000000), wk = 0.0026455 k( 157) = ( 0.0523810 0.0907265 -0.0000000), wk = 0.0026455 k( 158) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0026455 k( 159) = ( 0.0428571 0.0742307 -0.0000000), wk = 0.0026455 k( 160) = ( 0.0380952 0.0659829 -0.0000000), wk = 0.0026455 k( 161) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0026455 k( 162) = ( 0.0285714 0.0494872 -0.0000000), wk = 0.0026455 k( 163) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0026455 k( 164) = ( 0.0190476 0.0329914 -0.0000000), wk = 0.0026455 k( 165) = ( 0.0142857 0.0247436 -0.0000000), wk = 0.0026455 k( 166) = ( 0.0095238 0.0164957 -0.0000000), wk = 0.0026455 k( 167) = ( 0.0047619 0.0082479 -0.0000000), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.0094211), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.0188421), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.0282632), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.0376842), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.0471053), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.0565263), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.0659474), wk = 0.0026455 k( 177) = ( 0.0000000 0.0000000 0.0753684), wk = 0.0026455 k( 178) = ( 0.0000000 0.0000000 0.0847895), wk = 0.0026455 k( 179) = ( 0.0000000 0.0000000 0.0942106), wk = 0.0026455 k( 180) = ( 0.0000000 0.0000000 0.1036316), wk = 0.0026455 k( 181) = ( 0.0000000 0.0000000 0.1130527), wk = 0.0026455 k( 182) = ( 0.0000000 0.0000000 0.1224737), wk = 0.0026455 k( 183) = ( 0.0000000 0.0000000 0.1224737), wk = 0.0026455 k( 184) = ( 0.0083333 0.0048113 0.1224737), wk = 0.0026455 k( 185) = ( 0.0166667 0.0096225 0.1224737), wk = 0.0026455 k( 186) = ( 0.0250000 0.0144338 0.1224737), wk = 0.0026455 k( 187) = ( 0.0333333 0.0192450 0.1224737), wk = 0.0026455 k( 188) = ( 0.0416667 0.0240563 0.1224737), wk = 0.0026455 k( 189) = ( 0.0500000 0.0288675 0.1224737), wk = 0.0026455 k( 190) = ( 0.0583333 0.0336788 0.1224737), wk = 0.0026455 k( 191) = ( 0.0666667 0.0384900 0.1224737), wk = 0.0026455 k( 192) = ( 0.0750000 0.0433013 0.1224737), wk = 0.0026455 k( 193) = ( 0.0833333 0.0481125 0.1224737), wk = 0.0026455 k( 194) = ( 0.0916667 0.0529238 0.1224737), wk = 0.0026455 k( 195) = ( 0.1000000 0.0577350 0.1224737), wk = 0.0026455 k( 196) = ( 0.1083333 0.0625463 0.1224737), wk = 0.0026455 k( 197) = ( 0.1166667 0.0673575 0.1224737), wk = 0.0026455 k( 198) = ( 0.1250000 0.0721688 0.1224737), wk = 0.0026455 k( 199) = ( 0.1333333 0.0769800 0.1224737), wk = 0.0026455 k( 200) = ( 0.1416667 0.0817913 0.1224737), wk = 0.0026455 k( 201) = ( 0.1500000 0.0866025 0.1224737), wk = 0.0026455 k( 202) = ( 0.1583333 0.0914138 0.1224737), wk = 0.0026455 k( 203) = ( 0.1666667 0.0962250 0.1224737), wk = 0.0026455 k( 204) = ( 0.1750000 0.1010363 0.1224737), wk = 0.0026455 k( 205) = ( 0.1833333 0.1058475 0.1224737), wk = 0.0026455 k( 206) = ( 0.1916667 0.1106588 0.1224737), wk = 0.0026455 k( 207) = ( 0.2000000 0.1154701 0.1224737), wk = 0.0026455 k( 208) = ( 0.2083333 0.1202813 0.1224737), wk = 0.0026455 k( 209) = ( 0.2166667 0.1250926 0.1224737), wk = 0.0026455 k( 210) = ( 0.2250000 0.1299038 0.1224737), wk = 0.0026455 k( 211) = ( 0.2333333 0.1347151 0.1224737), wk = 0.0026455 k( 212) = ( 0.2416667 0.1395263 0.1224737), wk = 0.0026455 k( 213) = ( 0.2500000 0.1443376 0.1224737), wk = 0.0026455 k( 214) = ( 0.2583333 0.1491488 0.1224737), wk = 0.0026455 k( 215) = ( 0.2666667 0.1539601 0.1224737), wk = 0.0026455 k( 216) = ( 0.2750000 0.1587713 0.1224737), wk = 0.0026455 k( 217) = ( 0.2833333 0.1635826 0.1224737), wk = 0.0026455 k( 218) = ( 0.2916667 0.1683938 0.1224737), wk = 0.0026455 k( 219) = ( 0.3000000 0.1732051 0.1224737), wk = 0.0026455 k( 220) = ( 0.3083333 0.1780163 0.1224737), wk = 0.0026455 k( 221) = ( 0.3166667 0.1828276 0.1224737), wk = 0.0026455 k( 222) = ( 0.3250000 0.1876388 0.1224737), wk = 0.0026455 k( 223) = ( 0.3333333 0.1924501 0.1224737), wk = 0.0026455 k( 224) = ( 0.3416667 0.1972613 0.1224737), wk = 0.0026455 k( 225) = ( 0.3500000 0.2020726 0.1224737), wk = 0.0026455 k( 226) = ( 0.3583333 0.2068838 0.1224737), wk = 0.0026455 k( 227) = ( 0.3666667 0.2116951 0.1224737), wk = 0.0026455 k( 228) = ( 0.3750000 0.2165064 0.1224737), wk = 0.0026455 k( 229) = ( 0.3833333 0.2213176 0.1224737), wk = 0.0026455 k( 230) = ( 0.3916667 0.2261289 0.1224737), wk = 0.0026455 k( 231) = ( 0.4000000 0.2309401 0.1224737), wk = 0.0026455 k( 232) = ( 0.4083333 0.2357514 0.1224737), wk = 0.0026455 k( 233) = ( 0.4166667 0.2405626 0.1224737), wk = 0.0026455 k( 234) = ( 0.4250000 0.2453739 0.1224737), wk = 0.0026455 k( 235) = ( 0.4333333 0.2501851 0.1224737), wk = 0.0026455 k( 236) = ( 0.4416667 0.2549964 0.1224737), wk = 0.0026455 k( 237) = ( 0.4500000 0.2598076 0.1224737), wk = 0.0026455 k( 238) = ( 0.4583333 0.2646189 0.1224737), wk = 0.0026455 k( 239) = ( 0.4666667 0.2694301 0.1224737), wk = 0.0026455 k( 240) = ( 0.4750000 0.2742414 0.1224737), wk = 0.0026455 k( 241) = ( 0.4833333 0.2790526 0.1224737), wk = 0.0026455 k( 242) = ( 0.4916667 0.2838639 0.1224737), wk = 0.0026455 k( 243) = ( 0.5000000 0.2886751 0.1224737), wk = 0.0026455 k( 244) = ( 0.5000000 0.2886751 0.1224737), wk = 0.0026455 k( 245) = ( 0.4952381 0.2969230 0.1224737), wk = 0.0026455 k( 246) = ( 0.4904762 0.3051709 0.1224737), wk = 0.0026455 k( 247) = ( 0.4857143 0.3134187 0.1224737), wk = 0.0026455 k( 248) = ( 0.4809524 0.3216666 0.1224737), wk = 0.0026455 k( 249) = ( 0.4761905 0.3299144 0.1224737), wk = 0.0026455 k( 250) = ( 0.4714286 0.3381623 0.1224737), wk = 0.0026455 k( 251) = ( 0.4666667 0.3464102 0.1224737), wk = 0.0026455 k( 252) = ( 0.4619048 0.3546580 0.1224737), wk = 0.0026455 k( 253) = ( 0.4571429 0.3629059 0.1224737), wk = 0.0026455 k( 254) = ( 0.4523810 0.3711537 0.1224737), wk = 0.0026455 k( 255) = ( 0.4476191 0.3794016 0.1224737), wk = 0.0026455 k( 256) = ( 0.4428571 0.3876495 0.1224737), wk = 0.0026455 k( 257) = ( 0.4380952 0.3958973 0.1224737), wk = 0.0026455 k( 258) = ( 0.4333333 0.4041452 0.1224737), wk = 0.0026455 k( 259) = ( 0.4285714 0.4123930 0.1224737), wk = 0.0026455 k( 260) = ( 0.4238095 0.4206409 0.1224737), wk = 0.0026455 k( 261) = ( 0.4190476 0.4288888 0.1224737), wk = 0.0026455 k( 262) = ( 0.4142857 0.4371366 0.1224737), wk = 0.0026455 k( 263) = ( 0.4095238 0.4453845 0.1224737), wk = 0.0026455 k( 264) = ( 0.4047619 0.4536324 0.1224737), wk = 0.0026455 k( 265) = ( 0.4000000 0.4618802 0.1224737), wk = 0.0026455 k( 266) = ( 0.3952381 0.4701281 0.1224737), wk = 0.0026455 k( 267) = ( 0.3904762 0.4783759 0.1224737), wk = 0.0026455 k( 268) = ( 0.3857143 0.4866238 0.1224737), wk = 0.0026455 k( 269) = ( 0.3809524 0.4948717 0.1224737), wk = 0.0026455 k( 270) = ( 0.3761905 0.5031195 0.1224737), wk = 0.0026455 k( 271) = ( 0.3714286 0.5113674 0.1224737), wk = 0.0026455 k( 272) = ( 0.3666667 0.5196152 0.1224737), wk = 0.0026455 k( 273) = ( 0.3619048 0.5278631 0.1224737), wk = 0.0026455 k( 274) = ( 0.3571429 0.5361110 0.1224737), wk = 0.0026455 k( 275) = ( 0.3523810 0.5443588 0.1224737), wk = 0.0026455 k( 276) = ( 0.3476190 0.5526067 0.1224737), wk = 0.0026455 k( 277) = ( 0.3428571 0.5608545 0.1224737), wk = 0.0026455 k( 278) = ( 0.3380952 0.5691024 0.1224737), wk = 0.0026455 k( 279) = ( 0.3333333 0.5773503 0.1224737), wk = 0.0026455 k( 280) = ( 0.3333333 0.5773503 0.1224737), wk = 0.0026455 k( 281) = ( 0.3285714 0.5691024 0.1224737), wk = 0.0026455 k( 282) = ( 0.3238095 0.5608545 0.1224737), wk = 0.0026455 k( 283) = ( 0.3190476 0.5526067 0.1224737), wk = 0.0026455 k( 284) = ( 0.3142857 0.5443588 0.1224737), wk = 0.0026455 k( 285) = ( 0.3095238 0.5361110 0.1224737), wk = 0.0026455 k( 286) = ( 0.3047619 0.5278631 0.1224737), wk = 0.0026455 k( 287) = ( 0.3000000 0.5196152 0.1224737), wk = 0.0026455 k( 288) = ( 0.2952381 0.5113674 0.1224737), wk = 0.0026455 k( 289) = ( 0.2904762 0.5031195 0.1224737), wk = 0.0026455 k( 290) = ( 0.2857143 0.4948717 0.1224737), wk = 0.0026455 k( 291) = ( 0.2809524 0.4866238 0.1224737), wk = 0.0026455 k( 292) = ( 0.2761905 0.4783759 0.1224737), wk = 0.0026455 k( 293) = ( 0.2714286 0.4701281 0.1224737), wk = 0.0026455 k( 294) = ( 0.2666667 0.4618802 0.1224737), wk = 0.0026455 k( 295) = ( 0.2619048 0.4536324 0.1224737), wk = 0.0026455 k( 296) = ( 0.2571429 0.4453845 0.1224737), wk = 0.0026455 k( 297) = ( 0.2523809 0.4371366 0.1224737), wk = 0.0026455 k( 298) = ( 0.2476191 0.4288888 0.1224737), wk = 0.0026455 k( 299) = ( 0.2428571 0.4206409 0.1224737), wk = 0.0026455 k( 300) = ( 0.2380952 0.4123931 0.1224737), wk = 0.0026455 k( 301) = ( 0.2333333 0.4041452 0.1224737), wk = 0.0026455 k( 302) = ( 0.2285714 0.3958973 0.1224737), wk = 0.0026455 k( 303) = ( 0.2238095 0.3876495 0.1224737), wk = 0.0026455 k( 304) = ( 0.2190476 0.3794016 0.1224737), wk = 0.0026455 k( 305) = ( 0.2142857 0.3711537 0.1224737), wk = 0.0026455 k( 306) = ( 0.2095238 0.3629059 0.1224737), wk = 0.0026455 k( 307) = ( 0.2047619 0.3546580 0.1224737), wk = 0.0026455 k( 308) = ( 0.2000000 0.3464102 0.1224737), wk = 0.0026455 k( 309) = ( 0.1952381 0.3381623 0.1224737), wk = 0.0026455 k( 310) = ( 0.1904762 0.3299144 0.1224737), wk = 0.0026455 k( 311) = ( 0.1857143 0.3216666 0.1224737), wk = 0.0026455 k( 312) = ( 0.1809524 0.3134187 0.1224737), wk = 0.0026455 k( 313) = ( 0.1761905 0.3051709 0.1224737), wk = 0.0026455 k( 314) = ( 0.1714286 0.2969230 0.1224737), wk = 0.0026455 k( 315) = ( 0.1666667 0.2886751 0.1224737), wk = 0.0026455 k( 316) = ( 0.1619048 0.2804273 0.1224737), wk = 0.0026455 k( 317) = ( 0.1571429 0.2721794 0.1224737), wk = 0.0026455 k( 318) = ( 0.1523809 0.2639315 0.1224737), wk = 0.0026455 k( 319) = ( 0.1476191 0.2556837 0.1224737), wk = 0.0026455 k( 320) = ( 0.1428571 0.2474358 0.1224737), wk = 0.0026455 k( 321) = ( 0.1380952 0.2391880 0.1224737), wk = 0.0026455 k( 322) = ( 0.1333333 0.2309401 0.1224737), wk = 0.0026455 k( 323) = ( 0.1285714 0.2226922 0.1224737), wk = 0.0026455 k( 324) = ( 0.1238095 0.2144444 0.1224737), wk = 0.0026455 k( 325) = ( 0.1190476 0.2061965 0.1224737), wk = 0.0026455 k( 326) = ( 0.1142857 0.1979487 0.1224737), wk = 0.0026455 k( 327) = ( 0.1095238 0.1897008 0.1224737), wk = 0.0026455 k( 328) = ( 0.1047619 0.1814529 0.1224737), wk = 0.0026455 k( 329) = ( 0.1000000 0.1732051 0.1224737), wk = 0.0026455 k( 330) = ( 0.0952381 0.1649572 0.1224737), wk = 0.0026455 k( 331) = ( 0.0904762 0.1567094 0.1224737), wk = 0.0026455 k( 332) = ( 0.0857143 0.1484615 0.1224737), wk = 0.0026455 k( 333) = ( 0.0809524 0.1402136 0.1224737), wk = 0.0026455 k( 334) = ( 0.0761905 0.1319658 0.1224737), wk = 0.0026455 k( 335) = ( 0.0714286 0.1237179 0.1224737), wk = 0.0026455 k( 336) = ( 0.0666667 0.1154701 0.1224737), wk = 0.0026455 k( 337) = ( 0.0619048 0.1072222 0.1224737), wk = 0.0026455 k( 338) = ( 0.0571429 0.0989743 0.1224737), wk = 0.0026455 k( 339) = ( 0.0523810 0.0907265 0.1224737), wk = 0.0026455 k( 340) = ( 0.0476191 0.0824786 0.1224737), wk = 0.0026455 k( 341) = ( 0.0428571 0.0742307 0.1224737), wk = 0.0026455 k( 342) = ( 0.0380952 0.0659829 0.1224737), wk = 0.0026455 k( 343) = ( 0.0333333 0.0577350 0.1224737), wk = 0.0026455 k( 344) = ( 0.0285714 0.0494872 0.1224737), wk = 0.0026455 k( 345) = ( 0.0238095 0.0412393 0.1224737), wk = 0.0026455 k( 346) = ( 0.0190476 0.0329914 0.1224737), wk = 0.0026455 k( 347) = ( 0.0142857 0.0247436 0.1224737), wk = 0.0026455 k( 348) = ( 0.0095238 0.0164957 0.1224737), wk = 0.0026455 k( 349) = ( 0.0047619 0.0082479 0.1224737), wk = 0.0026455 k( 350) = ( 0.0000000 0.0000000 0.1224737), wk = 0.0026455 k( 351) = ( 0.5000000 0.2886751 0.1224737), wk = 0.0026455 k( 352) = ( 0.5000000 0.2886751 0.1130527), wk = 0.0026455 k( 353) = ( 0.5000000 0.2886751 0.1036316), wk = 0.0026455 k( 354) = ( 0.5000000 0.2886751 0.0942106), wk = 0.0026455 k( 355) = ( 0.5000000 0.2886751 0.0847895), wk = 0.0026455 k( 356) = ( 0.5000000 0.2886751 0.0753684), wk = 0.0026455 k( 357) = ( 0.5000000 0.2886751 0.0659474), wk = 0.0026455 k( 358) = ( 0.5000000 0.2886751 0.0565263), wk = 0.0026455 k( 359) = ( 0.5000000 0.2886751 0.0471053), wk = 0.0026455 k( 360) = ( 0.5000000 0.2886751 0.0376842), wk = 0.0026455 k( 361) = ( 0.5000000 0.2886751 0.0282632), wk = 0.0026455 k( 362) = ( 0.5000000 0.2886751 0.0188421), wk = 0.0026455 k( 363) = ( 0.5000000 0.2886751 0.0094211), wk = 0.0026455 k( 364) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026455 k( 365) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026455 k( 366) = ( 0.3333333 0.5773503 0.0094211), wk = 0.0026455 k( 367) = ( 0.3333333 0.5773503 0.0188421), wk = 0.0026455 k( 368) = ( 0.3333333 0.5773503 0.0282632), wk = 0.0026455 k( 369) = ( 0.3333333 0.5773503 0.0376842), wk = 0.0026455 k( 370) = ( 0.3333333 0.5773503 0.0471053), wk = 0.0026455 k( 371) = ( 0.3333333 0.5773503 0.0565263), wk = 0.0026455 k( 372) = ( 0.3333333 0.5773503 0.0659474), wk = 0.0026455 k( 373) = ( 0.3333333 0.5773503 0.0753684), wk = 0.0026455 k( 374) = ( 0.3333333 0.5773503 0.0847895), wk = 0.0026455 k( 375) = ( 0.3333333 0.5773503 0.0942106), wk = 0.0026455 k( 376) = ( 0.3333333 0.5773503 0.1036316), wk = 0.0026455 k( 377) = ( 0.3333333 0.5773503 0.1130527), wk = 0.0026455 k( 378) = ( 0.3333333 0.5773503 0.1224737), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0083333 0.0000000 0.0000000), wk = 0.0026455 k( 3) = ( 0.0166667 0.0000000 0.0000000), wk = 0.0026455 k( 4) = ( 0.0250000 -0.0000000 0.0000000), wk = 0.0026455 k( 5) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0026455 k( 6) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0026455 k( 7) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0026455 k( 8) = ( 0.0583333 -0.0000000 0.0000000), wk = 0.0026455 k( 9) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0026455 k( 10) = ( 0.0750000 -0.0000000 0.0000000), wk = 0.0026455 k( 11) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0026455 k( 12) = ( 0.0916667 0.0000000 0.0000000), wk = 0.0026455 k( 13) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0026455 k( 14) = ( 0.1083333 -0.0000000 0.0000000), wk = 0.0026455 k( 15) = ( 0.1166667 -0.0000000 0.0000000), wk = 0.0026455 k( 16) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0026455 k( 17) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0026455 k( 18) = ( 0.1416667 0.0000000 0.0000000), wk = 0.0026455 k( 19) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0026455 k( 20) = ( 0.1583333 -0.0000000 0.0000000), wk = 0.0026455 k( 21) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0026455 k( 22) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0026455 k( 23) = ( 0.1833333 0.0000000 -0.0000000), wk = 0.0026455 k( 24) = ( 0.1916667 -0.0000000 0.0000000), wk = 0.0026455 k( 25) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0026455 k( 26) = ( 0.2083333 -0.0000000 0.0000000), wk = 0.0026455 k( 27) = ( 0.2166667 0.0000000 0.0000000), wk = 0.0026455 k( 28) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0026455 k( 29) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0026455 k( 30) = ( 0.2416667 -0.0000000 0.0000000), wk = 0.0026455 k( 31) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0026455 k( 32) = ( 0.2583333 -0.0000000 0.0000000), wk = 0.0026455 k( 33) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0026455 k( 34) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0026455 k( 35) = ( 0.2833333 0.0000000 0.0000000), wk = 0.0026455 k( 36) = ( 0.2916667 -0.0000000 0.0000000), wk = 0.0026455 k( 37) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0026455 k( 38) = ( 0.3083333 -0.0000000 0.0000000), wk = 0.0026455 k( 39) = ( 0.3166667 0.0000000 0.0000000), wk = 0.0026455 k( 40) = ( 0.3250000 -0.0000000 -0.0000000), wk = 0.0026455 k( 41) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0026455 k( 42) = ( 0.3416667 -0.0000000 0.0000000), wk = 0.0026455 k( 43) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0026455 k( 44) = ( 0.3583333 0.0000000 0.0000000), wk = 0.0026455 k( 45) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0026455 k( 46) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0026455 k( 47) = ( 0.3833333 -0.0000000 0.0000000), wk = 0.0026455 k( 48) = ( 0.3916667 -0.0000000 0.0000000), wk = 0.0026455 k( 49) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0026455 k( 50) = ( 0.4083333 0.0000000 0.0000000), wk = 0.0026455 k( 51) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0026455 k( 52) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0026455 k( 53) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0026455 k( 54) = ( 0.4416667 0.0000000 0.0000000), wk = 0.0026455 k( 55) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0026455 k( 56) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0026455 k( 57) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0026455 k( 58) = ( 0.4750000 -0.0000000 0.0000000), wk = 0.0026455 k( 59) = ( 0.4833333 -0.0000000 0.0000000), wk = 0.0026455 k( 60) = ( 0.4916667 -0.0000000 0.0000000), wk = 0.0026455 k( 61) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026455 k( 62) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026455 k( 63) = ( 0.4952381 0.0095238 0.0000000), wk = 0.0026455 k( 64) = ( 0.4904762 0.0190476 0.0000000), wk = 0.0026455 k( 65) = ( 0.4857143 0.0285714 0.0000000), wk = 0.0026455 k( 66) = ( 0.4809524 0.0380952 0.0000000), wk = 0.0026455 k( 67) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0026455 k( 68) = ( 0.4714286 0.0571429 0.0000000), wk = 0.0026455 k( 69) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0026455 k( 70) = ( 0.4619048 0.0761905 0.0000000), wk = 0.0026455 k( 71) = ( 0.4571429 0.0857143 0.0000000), wk = 0.0026455 k( 72) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0026455 k( 73) = ( 0.4476191 0.1047619 0.0000000), wk = 0.0026455 k( 74) = ( 0.4428571 0.1142857 0.0000000), wk = 0.0026455 k( 75) = ( 0.4380952 0.1238095 0.0000000), wk = 0.0026455 k( 76) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0026455 k( 77) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0026455 k( 78) = ( 0.4238095 0.1523809 -0.0000000), wk = 0.0026455 k( 79) = ( 0.4190476 0.1619048 -0.0000000), wk = 0.0026455 k( 80) = ( 0.4142857 0.1714286 0.0000000), wk = 0.0026455 k( 81) = ( 0.4095238 0.1809524 0.0000000), wk = 0.0026455 k( 82) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0026455 k( 83) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0026455 k( 84) = ( 0.3952381 0.2095238 0.0000000), wk = 0.0026455 k( 85) = ( 0.3904762 0.2190476 0.0000000), wk = 0.0026455 k( 86) = ( 0.3857143 0.2285714 0.0000000), wk = 0.0026455 k( 87) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0026455 k( 88) = ( 0.3761905 0.2476191 0.0000000), wk = 0.0026455 k( 89) = ( 0.3714286 0.2571429 0.0000000), wk = 0.0026455 k( 90) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0026455 k( 91) = ( 0.3619048 0.2761905 0.0000000), wk = 0.0026455 k( 92) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0026455 k( 93) = ( 0.3523810 0.2952381 0.0000000), wk = 0.0026455 k( 94) = ( 0.3476190 0.3047619 0.0000000), wk = 0.0026455 k( 95) = ( 0.3428571 0.3142857 0.0000000), wk = 0.0026455 k( 96) = ( 0.3380952 0.3238095 0.0000000), wk = 0.0026455 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026455 k( 98) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026455 k( 99) = ( 0.3285714 0.3285714 0.0000000), wk = 0.0026455 k( 100) = ( 0.3238095 0.3238095 0.0000000), wk = 0.0026455 k( 101) = ( 0.3190476 0.3190476 0.0000000), wk = 0.0026455 k( 102) = ( 0.3142857 0.3142857 0.0000000), wk = 0.0026455 k( 103) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0026455 k( 104) = ( 0.3047619 0.3047619 -0.0000000), wk = 0.0026455 k( 105) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0026455 k( 106) = ( 0.2952381 0.2952381 -0.0000000), wk = 0.0026455 k( 107) = ( 0.2904762 0.2904762 0.0000000), wk = 0.0026455 k( 108) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0026455 k( 109) = ( 0.2809524 0.2809524 0.0000000), wk = 0.0026455 k( 110) = ( 0.2761905 0.2761905 0.0000000), wk = 0.0026455 k( 111) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0026455 k( 112) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0026455 k( 113) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0026455 k( 114) = ( 0.2571429 0.2571429 0.0000000), wk = 0.0026455 k( 115) = ( 0.2523809 0.2523809 0.0000000), wk = 0.0026455 k( 116) = ( 0.2476191 0.2476191 0.0000000), wk = 0.0026455 k( 117) = ( 0.2428571 0.2428571 -0.0000000), wk = 0.0026455 k( 118) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0026455 k( 119) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0026455 k( 120) = ( 0.2285714 0.2285714 0.0000000), wk = 0.0026455 k( 121) = ( 0.2238095 0.2238095 0.0000000), wk = 0.0026455 k( 122) = ( 0.2190476 0.2190476 0.0000000), wk = 0.0026455 k( 123) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0026455 k( 124) = ( 0.2095238 0.2095238 0.0000000), wk = 0.0026455 k( 125) = ( 0.2047619 0.2047619 0.0000000), wk = 0.0026455 k( 126) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0026455 k( 127) = ( 0.1952381 0.1952381 0.0000000), wk = 0.0026455 k( 128) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0026455 k( 129) = ( 0.1857143 0.1857143 0.0000000), wk = 0.0026455 k( 130) = ( 0.1809524 0.1809524 0.0000000), wk = 0.0026455 k( 131) = ( 0.1761905 0.1761905 0.0000000), wk = 0.0026455 k( 132) = ( 0.1714286 0.1714286 -0.0000000), wk = 0.0026455 k( 133) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0026455 k( 134) = ( 0.1619048 0.1619048 0.0000000), wk = 0.0026455 k( 135) = ( 0.1571429 0.1571429 0.0000000), wk = 0.0026455 k( 136) = ( 0.1523809 0.1523809 -0.0000000), wk = 0.0026455 k( 137) = ( 0.1476191 0.1476190 -0.0000000), wk = 0.0026455 k( 138) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0026455 k( 139) = ( 0.1380952 0.1380952 0.0000000), wk = 0.0026455 k( 140) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0026455 k( 141) = ( 0.1285714 0.1285714 0.0000000), wk = 0.0026455 k( 142) = ( 0.1238095 0.1238095 -0.0000000), wk = 0.0026455 k( 143) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0026455 k( 144) = ( 0.1142857 0.1142857 -0.0000000), wk = 0.0026455 k( 145) = ( 0.1095238 0.1095238 0.0000000), wk = 0.0026455 k( 146) = ( 0.1047619 0.1047619 0.0000000), wk = 0.0026455 k( 147) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0026455 k( 148) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0026455 k( 149) = ( 0.0904762 0.0904762 0.0000000), wk = 0.0026455 k( 150) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0026455 k( 151) = ( 0.0809524 0.0809524 0.0000000), wk = 0.0026455 k( 152) = ( 0.0761905 0.0761905 -0.0000000), wk = 0.0026455 k( 153) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0026455 k( 154) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0026455 k( 155) = ( 0.0619048 0.0619048 -0.0000000), wk = 0.0026455 k( 156) = ( 0.0571429 0.0571429 0.0000000), wk = 0.0026455 k( 157) = ( 0.0523810 0.0523809 0.0000000), wk = 0.0026455 k( 158) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0026455 k( 159) = ( 0.0428571 0.0428571 0.0000000), wk = 0.0026455 k( 160) = ( 0.0380952 0.0380952 -0.0000000), wk = 0.0026455 k( 161) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0026455 k( 162) = ( 0.0285714 0.0285714 0.0000000), wk = 0.0026455 k( 163) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0026455 k( 164) = ( 0.0190476 0.0190476 -0.0000000), wk = 0.0026455 k( 165) = ( 0.0142857 0.0142857 0.0000000), wk = 0.0026455 k( 166) = ( 0.0095238 0.0095238 -0.0000000), wk = 0.0026455 k( 167) = ( 0.0047619 0.0047619 0.0000000), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0026455 k( 177) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0026455 k( 178) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0026455 k( 179) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0026455 k( 180) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0026455 k( 181) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0026455 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 184) = ( 0.0083333 0.0000000 0.5000000), wk = 0.0026455 k( 185) = ( 0.0166667 0.0000000 0.5000000), wk = 0.0026455 k( 186) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0026455 k( 187) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0026455 k( 188) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0026455 k( 189) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0026455 k( 190) = ( 0.0583333 -0.0000000 0.5000000), wk = 0.0026455 k( 191) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0026455 k( 192) = ( 0.0750000 -0.0000000 0.5000000), wk = 0.0026455 k( 193) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0026455 k( 194) = ( 0.0916667 0.0000000 0.5000000), wk = 0.0026455 k( 195) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0026455 k( 196) = ( 0.1083333 -0.0000000 0.5000000), wk = 0.0026455 k( 197) = ( 0.1166667 -0.0000000 0.5000000), wk = 0.0026455 k( 198) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0026455 k( 199) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0026455 k( 200) = ( 0.1416667 0.0000000 0.5000000), wk = 0.0026455 k( 201) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0026455 k( 202) = ( 0.1583333 -0.0000000 0.5000000), wk = 0.0026455 k( 203) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0026455 k( 204) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0026455 k( 205) = ( 0.1833333 0.0000000 0.5000000), wk = 0.0026455 k( 206) = ( 0.1916667 -0.0000000 0.5000000), wk = 0.0026455 k( 207) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0026455 k( 208) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0026455 k( 209) = ( 0.2166667 0.0000000 0.5000000), wk = 0.0026455 k( 210) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0026455 k( 211) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0026455 k( 212) = ( 0.2416667 -0.0000000 0.5000000), wk = 0.0026455 k( 213) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026455 k( 214) = ( 0.2583333 -0.0000000 0.5000000), wk = 0.0026455 k( 215) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0026455 k( 216) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0026455 k( 217) = ( 0.2833333 0.0000000 0.5000000), wk = 0.0026455 k( 218) = ( 0.2916667 -0.0000000 0.5000000), wk = 0.0026455 k( 219) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0026455 k( 220) = ( 0.3083333 -0.0000000 0.5000000), wk = 0.0026455 k( 221) = ( 0.3166667 0.0000000 0.5000000), wk = 0.0026455 k( 222) = ( 0.3250000 -0.0000000 0.5000000), wk = 0.0026455 k( 223) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0026455 k( 224) = ( 0.3416667 -0.0000000 0.5000000), wk = 0.0026455 k( 225) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0026455 k( 226) = ( 0.3583333 0.0000000 0.5000000), wk = 0.0026455 k( 227) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0026455 k( 228) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0026455 k( 229) = ( 0.3833333 -0.0000000 0.5000000), wk = 0.0026455 k( 230) = ( 0.3916667 -0.0000000 0.5000000), wk = 0.0026455 k( 231) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0026455 k( 232) = ( 0.4083333 0.0000000 0.5000000), wk = 0.0026455 k( 233) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0026455 k( 234) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0026455 k( 235) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0026455 k( 236) = ( 0.4416667 0.0000000 0.5000000), wk = 0.0026455 k( 237) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0026455 k( 238) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0026455 k( 239) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0026455 k( 240) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0026455 k( 241) = ( 0.4833333 -0.0000000 0.5000000), wk = 0.0026455 k( 242) = ( 0.4916667 -0.0000000 0.5000000), wk = 0.0026455 k( 243) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026455 k( 244) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026455 k( 245) = ( 0.4952381 0.0095238 0.5000000), wk = 0.0026455 k( 246) = ( 0.4904762 0.0190476 0.5000000), wk = 0.0026455 k( 247) = ( 0.4857143 0.0285714 0.5000000), wk = 0.0026455 k( 248) = ( 0.4809524 0.0380952 0.5000000), wk = 0.0026455 k( 249) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0026455 k( 250) = ( 0.4714286 0.0571429 0.5000000), wk = 0.0026455 k( 251) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0026455 k( 252) = ( 0.4619048 0.0761905 0.5000000), wk = 0.0026455 k( 253) = ( 0.4571429 0.0857143 0.5000000), wk = 0.0026455 k( 254) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0026455 k( 255) = ( 0.4476191 0.1047619 0.5000000), wk = 0.0026455 k( 256) = ( 0.4428571 0.1142857 0.5000000), wk = 0.0026455 k( 257) = ( 0.4380952 0.1238095 0.5000000), wk = 0.0026455 k( 258) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0026455 k( 259) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0026455 k( 260) = ( 0.4238095 0.1523809 0.5000000), wk = 0.0026455 k( 261) = ( 0.4190476 0.1619048 0.5000000), wk = 0.0026455 k( 262) = ( 0.4142857 0.1714286 0.5000000), wk = 0.0026455 k( 263) = ( 0.4095238 0.1809524 0.5000000), wk = 0.0026455 k( 264) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0026455 k( 265) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0026455 k( 266) = ( 0.3952381 0.2095238 0.5000000), wk = 0.0026455 k( 267) = ( 0.3904762 0.2190476 0.5000000), wk = 0.0026455 k( 268) = ( 0.3857143 0.2285714 0.5000000), wk = 0.0026455 k( 269) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0026455 k( 270) = ( 0.3761905 0.2476191 0.5000000), wk = 0.0026455 k( 271) = ( 0.3714286 0.2571429 0.5000000), wk = 0.0026455 k( 272) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0026455 k( 273) = ( 0.3619048 0.2761905 0.5000000), wk = 0.0026455 k( 274) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0026455 k( 275) = ( 0.3523810 0.2952381 0.5000000), wk = 0.0026455 k( 276) = ( 0.3476190 0.3047619 0.5000000), wk = 0.0026455 k( 277) = ( 0.3428571 0.3142857 0.5000000), wk = 0.0026455 k( 278) = ( 0.3380952 0.3238095 0.5000000), wk = 0.0026455 k( 279) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026455 k( 280) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026455 k( 281) = ( 0.3285714 0.3285714 0.5000000), wk = 0.0026455 k( 282) = ( 0.3238095 0.3238095 0.5000000), wk = 0.0026455 k( 283) = ( 0.3190476 0.3190476 0.5000000), wk = 0.0026455 k( 284) = ( 0.3142857 0.3142857 0.5000000), wk = 0.0026455 k( 285) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0026455 k( 286) = ( 0.3047619 0.3047619 0.5000000), wk = 0.0026455 k( 287) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0026455 k( 288) = ( 0.2952381 0.2952381 0.5000000), wk = 0.0026455 k( 289) = ( 0.2904762 0.2904762 0.5000000), wk = 0.0026455 k( 290) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0026455 k( 291) = ( 0.2809524 0.2809524 0.5000000), wk = 0.0026455 k( 292) = ( 0.2761905 0.2761905 0.5000000), wk = 0.0026455 k( 293) = ( 0.2714286 0.2714286 0.5000000), wk = 0.0026455 k( 294) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0026455 k( 295) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0026455 k( 296) = ( 0.2571429 0.2571429 0.5000000), wk = 0.0026455 k( 297) = ( 0.2523809 0.2523809 0.5000000), wk = 0.0026455 k( 298) = ( 0.2476191 0.2476191 0.5000000), wk = 0.0026455 k( 299) = ( 0.2428571 0.2428571 0.5000000), wk = 0.0026455 k( 300) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0026455 k( 301) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0026455 k( 302) = ( 0.2285714 0.2285714 0.5000000), wk = 0.0026455 k( 303) = ( 0.2238095 0.2238095 0.5000000), wk = 0.0026455 k( 304) = ( 0.2190476 0.2190476 0.5000000), wk = 0.0026455 k( 305) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0026455 k( 306) = ( 0.2095238 0.2095238 0.5000000), wk = 0.0026455 k( 307) = ( 0.2047619 0.2047619 0.5000000), wk = 0.0026455 k( 308) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0026455 k( 309) = ( 0.1952381 0.1952381 0.5000000), wk = 0.0026455 k( 310) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0026455 k( 311) = ( 0.1857143 0.1857143 0.5000000), wk = 0.0026455 k( 312) = ( 0.1809524 0.1809524 0.5000000), wk = 0.0026455 k( 313) = ( 0.1761905 0.1761905 0.5000000), wk = 0.0026455 k( 314) = ( 0.1714286 0.1714286 0.5000000), wk = 0.0026455 k( 315) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0026455 k( 316) = ( 0.1619048 0.1619048 0.5000000), wk = 0.0026455 k( 317) = ( 0.1571429 0.1571429 0.5000000), wk = 0.0026455 k( 318) = ( 0.1523809 0.1523809 0.5000000), wk = 0.0026455 k( 319) = ( 0.1476191 0.1476190 0.5000000), wk = 0.0026455 k( 320) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0026455 k( 321) = ( 0.1380952 0.1380952 0.5000000), wk = 0.0026455 k( 322) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0026455 k( 323) = ( 0.1285714 0.1285714 0.5000000), wk = 0.0026455 k( 324) = ( 0.1238095 0.1238095 0.5000000), wk = 0.0026455 k( 325) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0026455 k( 326) = ( 0.1142857 0.1142857 0.5000000), wk = 0.0026455 k( 327) = ( 0.1095238 0.1095238 0.5000000), wk = 0.0026455 k( 328) = ( 0.1047619 0.1047619 0.5000000), wk = 0.0026455 k( 329) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0026455 k( 330) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0026455 k( 331) = ( 0.0904762 0.0904762 0.5000000), wk = 0.0026455 k( 332) = ( 0.0857143 0.0857143 0.5000000), wk = 0.0026455 k( 333) = ( 0.0809524 0.0809524 0.5000000), wk = 0.0026455 k( 334) = ( 0.0761905 0.0761905 0.5000000), wk = 0.0026455 k( 335) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0026455 k( 336) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0026455 k( 337) = ( 0.0619048 0.0619048 0.5000000), wk = 0.0026455 k( 338) = ( 0.0571429 0.0571429 0.5000000), wk = 0.0026455 k( 339) = ( 0.0523810 0.0523809 0.5000000), wk = 0.0026455 k( 340) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0026455 k( 341) = ( 0.0428571 0.0428571 0.5000000), wk = 0.0026455 k( 342) = ( 0.0380952 0.0380952 0.5000000), wk = 0.0026455 k( 343) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0026455 k( 344) = ( 0.0285714 0.0285714 0.5000000), wk = 0.0026455 k( 345) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0026455 k( 346) = ( 0.0190476 0.0190476 0.5000000), wk = 0.0026455 k( 347) = ( 0.0142857 0.0142857 0.5000000), wk = 0.0026455 k( 348) = ( 0.0095238 0.0095238 0.5000000), wk = 0.0026455 k( 349) = ( 0.0047619 0.0047619 0.5000000), wk = 0.0026455 k( 350) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 351) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026455 k( 352) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0026455 k( 353) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0026455 k( 354) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0026455 k( 355) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0026455 k( 356) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0026455 k( 357) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0026455 k( 358) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0026455 k( 359) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0026455 k( 360) = ( 0.5000000 0.0000000 0.1538462), wk = 0.0026455 k( 361) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0026455 k( 362) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0026455 k( 363) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0026455 k( 364) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026455 k( 365) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026455 k( 366) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0026455 k( 367) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0026455 k( 368) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0026455 k( 369) = ( 0.3333333 0.3333333 0.1538462), wk = 0.0026455 k( 370) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0026455 k( 371) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0026455 k( 372) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0026455 k( 373) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0026455 k( 374) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0026455 k( 375) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0026455 k( 376) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0026455 k( 377) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0026455 k( 378) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026455 Dense grid: 66507 G-vectors FFT dimensions: ( 36, 36, 135) Smooth grid: 26079 G-vectors FFT dimensions: ( 25, 25, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 220, 48) NL pseudopotentials 0.23 Mb ( 110, 140) Each V/rho on FFT grid 0.10 Mb ( 6480) Each G-vector array 0.02 Mb ( 2088) G-vector shells 0.01 Mb ( 979) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 220, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.21 Mb ( 140, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./SiC.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.7 secs Computing kpt #: 6 total cpu time spent up to now is 8.7 secs Computing kpt #: 7 total cpu time spent up to now is 9.7 secs Computing kpt #: 8 total cpu time spent up to now is 10.8 secs Computing kpt #: 9 total cpu time spent up to now is 11.8 secs Computing kpt #: 10 total cpu time spent up to now is 12.9 secs Computing kpt #: 11 total cpu time spent up to now is 14.0 secs Computing kpt #: 12 total cpu time spent up to now is 15.1 secs Computing kpt #: 13 total cpu time spent up to now is 16.2 secs Computing kpt #: 14 total cpu time spent up to now is 17.3 secs Computing kpt #: 15 total cpu time spent up to now is 18.4 secs Computing kpt #: 16 total cpu time spent up to now is 19.6 secs Computing kpt #: 17 total cpu time spent up to now is 20.7 secs Computing kpt #: 18 total cpu time spent up to now is 21.9 secs Computing kpt #: 19 total cpu time spent up to now is 23.0 secs Computing kpt #: 20 total cpu time spent up to now is 24.1 secs Computing kpt #: 21 total cpu time spent up to now is 25.1 secs Computing kpt #: 22 total cpu time spent up to now is 26.1 secs Computing kpt #: 23 total cpu time spent up to now is 27.1 secs Computing kpt #: 24 total cpu time spent up to now is 28.1 secs Computing kpt #: 25 total cpu time spent up to now is 29.1 secs Computing kpt #: 26 total cpu time spent up to now is 30.0 secs Computing kpt #: 27 total cpu time spent up to now is 30.9 secs Computing kpt #: 28 total cpu time spent up to now is 31.7 secs Computing kpt #: 29 total cpu time spent up to now is 32.6 secs Computing kpt #: 30 total cpu time spent up to now is 33.4 secs Computing kpt #: 31 total cpu time spent up to now is 34.3 secs Computing kpt #: 32 total cpu time spent up to now is 35.2 secs Computing kpt #: 33 total cpu time spent up to now is 36.0 secs Computing kpt #: 34 total cpu time spent up to now is 36.8 secs Computing kpt #: 35 total cpu time spent up to now is 37.6 secs Computing kpt #: 36 total cpu time spent up to now is 38.4 secs Computing kpt #: 37 total cpu time spent up to now is 39.2 secs Computing kpt #: 38 total cpu time spent up to now is 40.0 secs Computing kpt #: 39 total cpu time spent up to now is 40.8 secs Computing kpt #: 40 total cpu time spent up to now is 41.6 secs Computing kpt #: 41 total cpu time spent up to now is 42.4 secs Computing kpt #: 42 total cpu time spent up to now is 43.2 secs Computing kpt #: 43 total cpu time spent up to now is 44.0 secs Computing kpt #: 44 total cpu time spent up to now is 44.8 secs Computing kpt #: 45 total cpu time spent up to now is 45.6 secs Computing kpt #: 46 total cpu time spent up to now is 46.3 secs Computing kpt #: 47 total cpu time spent up to now is 47.1 secs Computing kpt #: 48 total cpu time spent up to now is 47.9 secs Computing kpt #: 49 total cpu time spent up to now is 48.6 secs Computing kpt #: 50 total cpu time spent up to now is 49.4 secs Computing kpt #: 51 total cpu time spent up to now is 50.2 secs Computing kpt #: 52 total cpu time spent up to now is 51.0 secs Computing kpt #: 53 total cpu time spent up to now is 51.7 secs Computing kpt #: 54 total cpu time spent up to now is 52.5 secs Computing kpt #: 55 total cpu time spent up to now is 53.3 secs Computing kpt #: 56 total cpu time spent up to now is 54.0 secs Computing kpt #: 57 total cpu time spent up to now is 54.8 secs Computing kpt #: 58 total cpu time spent up to now is 55.6 secs Computing kpt #: 59 total cpu time spent up to now is 56.3 secs Computing kpt #: 60 total cpu time spent up to now is 57.1 secs Computing kpt #: 61 total cpu time spent up to now is 57.9 secs Computing kpt #: 62 total cpu time spent up to now is 58.6 secs Computing kpt #: 63 total cpu time spent up to now is 59.4 secs Computing kpt #: 64 total cpu time spent up to now is 60.1 secs Computing kpt #: 65 total cpu time spent up to now is 60.9 secs Computing kpt #: 66 total cpu time spent up to now is 63.0 secs Computing kpt #: 67 total cpu time spent up to now is 65.1 secs Computing kpt #: 68 total cpu time spent up to now is 66.1 secs Computing kpt #: 69 total cpu time spent up to now is 66.9 secs Computing kpt #: 70 total cpu time spent up to now is 67.7 secs Computing kpt #: 71 total cpu time spent up to now is 68.5 secs Computing kpt #: 72 total cpu time spent up to now is 69.2 secs Computing kpt #: 73 total cpu time spent up to now is 70.0 secs Computing kpt #: 74 total cpu time spent up to now is 70.8 secs Computing kpt #: 75 total cpu time spent up to now is 71.6 secs Computing kpt #: 76 total cpu time spent up to now is 72.4 secs Computing kpt #: 77 total cpu time spent up to now is 73.2 secs Computing kpt #: 78 total cpu time spent up to now is 74.0 secs Computing kpt #: 79 total cpu time spent up to now is 74.8 secs Computing kpt #: 80 total cpu time spent up to now is 75.5 secs Computing kpt #: 81 total cpu time spent up to now is 76.3 secs Computing kpt #: 82 total cpu time spent up to now is 77.1 secs Computing kpt #: 83 total cpu time spent up to now is 77.9 secs Computing kpt #: 84 total cpu time spent up to now is 78.7 secs Computing kpt #: 85 total cpu time spent up to now is 79.5 secs Computing kpt #: 86 total cpu time spent up to now is 80.3 secs Computing kpt #: 87 total cpu time spent up to now is 81.1 secs Computing kpt #: 88 total cpu time spent up to now is 81.9 secs Computing kpt #: 89 total cpu time spent up to now is 82.7 secs Computing kpt #: 90 total cpu time spent up to now is 83.5 secs Computing kpt #: 91 total cpu time spent up to now is 84.3 secs Computing kpt #: 92 total cpu time spent up to now is 85.1 secs Computing kpt #: 93 total cpu time spent up to now is 85.9 secs Computing kpt #: 94 total cpu time spent up to now is 86.6 secs Computing kpt #: 95 total cpu time spent up to now is 87.4 secs Computing kpt #: 96 total cpu time spent up to now is 88.2 secs Computing kpt #: 97 total cpu time spent up to now is 89.0 secs Computing kpt #: 98 total cpu time spent up to now is 89.9 secs Computing kpt #: 99 total cpu time spent up to now is 90.7 secs Computing kpt #: 100 total cpu time spent up to now is 91.4 secs Computing kpt #: 101 total cpu time spent up to now is 92.2 secs Computing kpt #: 102 total cpu time spent up to now is 93.0 secs Computing kpt #: 103 total cpu time spent up to now is 93.8 secs Computing kpt #: 104 total cpu time spent up to now is 94.5 secs Computing kpt #: 105 total cpu time spent up to now is 95.3 secs Computing kpt #: 106 total cpu time spent up to now is 96.1 secs Computing kpt #: 107 total cpu time spent up to now is 96.8 secs Computing kpt #: 108 total cpu time spent up to now is 97.6 secs Computing kpt #: 109 total cpu time spent up to now is 98.4 secs Computing kpt #: 110 total cpu time spent up to now is 99.1 secs Computing kpt #: 111 total cpu time spent up to now is 99.9 secs Computing kpt #: 112 total cpu time spent up to now is 100.7 secs Computing kpt #: 113 total cpu time spent up to now is 101.4 secs Computing kpt #: 114 total cpu time spent up to now is 102.2 secs Computing kpt #: 115 total cpu time spent up to now is 102.9 secs Computing kpt #: 116 total cpu time spent up to now is 103.6 secs Computing kpt #: 117 total cpu time spent up to now is 104.4 secs Computing kpt #: 118 total cpu time spent up to now is 105.1 secs Computing kpt #: 119 total cpu time spent up to now is 105.8 secs Computing kpt #: 120 total cpu time spent up to now is 106.4 secs Computing kpt #: 121 total cpu time spent up to now is 107.2 secs Computing kpt #: 122 total cpu time spent up to now is 107.9 secs Computing kpt #: 123 total cpu time spent up to now is 108.6 secs Computing kpt #: 124 total cpu time spent up to now is 109.4 secs Computing kpt #: 125 total cpu time spent up to now is 110.1 secs Computing kpt #: 126 total cpu time spent up to now is 110.9 secs Computing kpt #: 127 total cpu time spent up to now is 111.7 secs Computing kpt #: 128 total cpu time spent up to now is 112.4 secs Computing kpt #: 129 total cpu time spent up to now is 113.2 secs Computing kpt #: 130 total cpu time spent up to now is 114.0 secs Computing kpt #: 131 total cpu time spent up to now is 114.8 secs Computing kpt #: 132 total cpu time spent up to now is 115.6 secs Computing kpt #: 133 total cpu time spent up to now is 116.4 secs Computing kpt #: 134 total cpu time spent up to now is 117.2 secs Computing kpt #: 135 total cpu time spent up to now is 118.0 secs Computing kpt #: 136 total cpu time spent up to now is 118.8 secs Computing kpt #: 137 total cpu time spent up to now is 119.6 secs Computing kpt #: 138 total cpu time spent up to now is 120.4 secs Computing kpt #: 139 total cpu time spent up to now is 121.2 secs Computing kpt #: 140 total cpu time spent up to now is 122.0 secs Computing kpt #: 141 total cpu time spent up to now is 122.9 secs Computing kpt #: 142 total cpu time spent up to now is 123.7 secs Computing kpt #: 143 total cpu time spent up to now is 124.6 secs Computing kpt #: 144 total cpu time spent up to now is 125.5 secs Computing kpt #: 145 total cpu time spent up to now is 126.4 secs Computing kpt #: 146 total cpu time spent up to now is 127.4 secs Computing kpt #: 147 total cpu time spent up to now is 128.3 secs Computing kpt #: 148 total cpu time spent up to now is 129.2 secs Computing kpt #: 149 total cpu time spent up to now is 130.2 secs Computing kpt #: 150 total cpu time spent up to now is 131.1 secs Computing kpt #: 151 total cpu time spent up to now is 132.1 secs Computing kpt #: 152 total cpu time spent up to now is 133.0 secs Computing kpt #: 153 total cpu time spent up to now is 134.0 secs Computing kpt #: 154 total cpu time spent up to now is 135.0 secs Computing kpt #: 155 total cpu time spent up to now is 136.0 secs Computing kpt #: 156 total cpu time spent up to now is 136.9 secs Computing kpt #: 157 total cpu time spent up to now is 138.0 secs Computing kpt #: 158 total cpu time spent up to now is 139.1 secs Computing kpt #: 159 total cpu time spent up to now is 140.2 secs Computing kpt #: 160 total cpu time spent up to now is 141.3 secs Computing kpt #: 161 total cpu time spent up to now is 142.4 secs Computing kpt #: 162 total cpu time spent up to now is 143.4 secs Computing kpt #: 163 total cpu time spent up to now is 144.3 secs Computing kpt #: 164 total cpu time spent up to now is 145.3 secs Computing kpt #: 165 total cpu time spent up to now is 146.3 secs Computing kpt #: 166 total cpu time spent up to now is 147.2 secs Computing kpt #: 167 total cpu time spent up to now is 148.1 secs Computing kpt #: 168 total cpu time spent up to now is 148.9 secs Computing kpt #: 169 total cpu time spent up to now is 149.8 secs Computing kpt #: 170 total cpu time spent up to now is 150.7 secs Computing kpt #: 171 total cpu time spent up to now is 151.5 secs Computing kpt #: 172 total cpu time spent up to now is 152.5 secs Computing kpt #: 173 total cpu time spent up to now is 153.5 secs Computing kpt #: 174 total cpu time spent up to now is 154.4 secs Computing kpt #: 175 total cpu time spent up to now is 155.3 secs Computing kpt #: 176 total cpu time spent up to now is 156.3 secs Computing kpt #: 177 total cpu time spent up to now is 157.3 secs Computing kpt #: 178 total cpu time spent up to now is 158.3 secs Computing kpt #: 179 total cpu time spent up to now is 159.3 secs Computing kpt #: 180 total cpu time spent up to now is 160.5 secs Computing kpt #: 181 total cpu time spent up to now is 161.5 secs Computing kpt #: 182 total cpu time spent up to now is 162.6 secs Computing kpt #: 183 total cpu time spent up to now is 163.6 secs Computing kpt #: 184 total cpu time spent up to now is 164.8 secs Computing kpt #: 185 total cpu time spent up to now is 166.2 secs Computing kpt #: 186 total cpu time spent up to now is 167.5 secs Computing kpt #: 187 total cpu time spent up to now is 168.8 secs Computing kpt #: 188 total cpu time spent up to now is 169.9 secs Computing kpt #: 189 total cpu time spent up to now is 171.0 secs Computing kpt #: 190 total cpu time spent up to now is 172.0 secs Computing kpt #: 191 total cpu time spent up to now is 173.1 secs Computing kpt #: 192 total cpu time spent up to now is 174.1 secs Computing kpt #: 193 total cpu time spent up to now is 175.1 secs Computing kpt #: 194 total cpu time spent up to now is 176.2 secs Computing kpt #: 195 total cpu time spent up to now is 177.3 secs Computing kpt #: 196 total cpu time spent up to now is 178.2 secs Computing kpt #: 197 total cpu time spent up to now is 179.2 secs Computing kpt #: 198 total cpu time spent up to now is 180.1 secs Computing kpt #: 199 total cpu time spent up to now is 181.0 secs Computing kpt #: 200 total cpu time spent up to now is 181.9 secs Computing kpt #: 201 total cpu time spent up to now is 182.7 secs Computing kpt #: 202 total cpu time spent up to now is 183.6 secs Computing kpt #: 203 total cpu time spent up to now is 184.4 secs Computing kpt #: 204 total cpu time spent up to now is 185.2 secs Computing kpt #: 205 total cpu time spent up to now is 186.0 secs Computing kpt #: 206 total cpu time spent up to now is 186.8 secs Computing kpt #: 207 total cpu time spent up to now is 187.5 secs Computing kpt #: 208 total cpu time spent up to now is 188.3 secs Computing kpt #: 209 total cpu time spent up to now is 189.1 secs Computing kpt #: 210 total cpu time spent up to now is 189.9 secs Computing kpt #: 211 total cpu time spent up to now is 190.7 secs Computing kpt #: 212 total cpu time spent up to now is 191.5 secs Computing kpt #: 213 total cpu time spent up to now is 192.2 secs Computing kpt #: 214 total cpu time spent up to now is 193.0 secs Computing kpt #: 215 total cpu time spent up to now is 193.8 secs Computing kpt #: 216 total cpu time spent up to now is 194.5 secs Computing kpt #: 217 total cpu time spent up to now is 195.3 secs Computing kpt #: 218 total cpu time spent up to now is 196.1 secs Computing kpt #: 219 total cpu time spent up to now is 196.8 secs Computing kpt #: 220 total cpu time spent up to now is 197.6 secs Computing kpt #: 221 total cpu time spent up to now is 198.4 secs Computing kpt #: 222 total cpu time spent up to now is 199.2 secs Computing kpt #: 223 total cpu time spent up to now is 199.9 secs Computing kpt #: 224 total cpu time spent up to now is 200.7 secs Computing kpt #: 225 total cpu time spent up to now is 201.5 secs Computing kpt #: 226 total cpu time spent up to now is 202.2 secs Computing kpt #: 227 total cpu time spent up to now is 203.0 secs Computing kpt #: 228 total cpu time spent up to now is 203.8 secs Computing kpt #: 229 total cpu time spent up to now is 204.6 secs Computing kpt #: 230 total cpu time spent up to now is 205.4 secs Computing kpt #: 231 total cpu time spent up to now is 206.2 secs Computing kpt #: 232 total cpu time spent up to now is 206.9 secs Computing kpt #: 233 total cpu time spent up to now is 207.7 secs Computing kpt #: 234 total cpu time spent up to now is 208.5 secs Computing kpt #: 235 total cpu time spent up to now is 209.2 secs Computing kpt #: 236 total cpu time spent up to now is 210.0 secs Computing kpt #: 237 total cpu time spent up to now is 210.8 secs Computing kpt #: 238 total cpu time spent up to now is 211.5 secs Computing kpt #: 239 total cpu time spent up to now is 212.3 secs Computing kpt #: 240 total cpu time spent up to now is 213.1 secs Computing kpt #: 241 total cpu time spent up to now is 213.8 secs Computing kpt #: 242 total cpu time spent up to now is 214.6 secs Computing kpt #: 243 total cpu time spent up to now is 215.4 secs Computing kpt #: 244 total cpu time spent up to now is 216.1 secs Computing kpt #: 245 total cpu time spent up to now is 216.9 secs Computing kpt #: 246 total cpu time spent up to now is 217.6 secs Computing kpt #: 247 total cpu time spent up to now is 218.4 secs Computing kpt #: 248 total cpu time spent up to now is 219.2 secs Computing kpt #: 249 total cpu time spent up to now is 220.0 secs Computing kpt #: 250 total cpu time spent up to now is 220.7 secs Computing kpt #: 251 total cpu time spent up to now is 221.5 secs Computing kpt #: 252 total cpu time spent up to now is 222.3 secs Computing kpt #: 253 total cpu time spent up to now is 223.1 secs Computing kpt #: 254 total cpu time spent up to now is 223.9 secs Computing kpt #: 255 total cpu time spent up to now is 224.7 secs Computing kpt #: 256 total cpu time spent up to now is 225.4 secs Computing kpt #: 257 total cpu time spent up to now is 226.2 secs Computing kpt #: 258 total cpu time spent up to now is 227.0 secs Computing kpt #: 259 total cpu time spent up to now is 227.8 secs Computing kpt #: 260 total cpu time spent up to now is 228.6 secs Computing kpt #: 261 total cpu time spent up to now is 229.4 secs Computing kpt #: 262 total cpu time spent up to now is 230.2 secs Computing kpt #: 263 total cpu time spent up to now is 231.0 secs Computing kpt #: 264 total cpu time spent up to now is 231.7 secs Computing kpt #: 265 total cpu time spent up to now is 232.5 secs Computing kpt #: 266 total cpu time spent up to now is 233.3 secs Computing kpt #: 267 total cpu time spent up to now is 234.0 secs Computing kpt #: 268 total cpu time spent up to now is 234.8 secs Computing kpt #: 269 total cpu time spent up to now is 235.6 secs Computing kpt #: 270 total cpu time spent up to now is 236.2 secs Computing kpt #: 271 total cpu time spent up to now is 236.9 secs Computing kpt #: 272 total cpu time spent up to now is 237.6 secs Computing kpt #: 273 total cpu time spent up to now is 238.3 secs Computing kpt #: 274 total cpu time spent up to now is 238.9 secs Computing kpt #: 275 total cpu time spent up to now is 239.6 secs Computing kpt #: 276 total cpu time spent up to now is 240.3 secs Computing kpt #: 277 total cpu time spent up to now is 240.9 secs Computing kpt #: 278 total cpu time spent up to now is 241.6 secs Computing kpt #: 279 total cpu time spent up to now is 242.2 secs Computing kpt #: 280 total cpu time spent up to now is 242.9 secs Computing kpt #: 281 total cpu time spent up to now is 243.6 secs Computing kpt #: 282 total cpu time spent up to now is 244.2 secs Computing kpt #: 283 total cpu time spent up to now is 244.9 secs Computing kpt #: 284 total cpu time spent up to now is 245.6 secs Computing kpt #: 285 total cpu time spent up to now is 246.3 secs Computing kpt #: 286 total cpu time spent up to now is 246.9 secs Computing kpt #: 287 total cpu time spent up to now is 247.7 secs Computing kpt #: 288 total cpu time spent up to now is 248.4 secs Computing kpt #: 289 total cpu time spent up to now is 249.2 secs Computing kpt #: 290 total cpu time spent up to now is 249.9 secs Computing kpt #: 291 total cpu time spent up to now is 250.7 secs Computing kpt #: 292 total cpu time spent up to now is 251.5 secs Computing kpt #: 293 total cpu time spent up to now is 252.2 secs Computing kpt #: 294 total cpu time spent up to now is 253.0 secs Computing kpt #: 295 total cpu time spent up to now is 253.8 secs Computing kpt #: 296 total cpu time spent up to now is 254.6 secs Computing kpt #: 297 total cpu time spent up to now is 255.5 secs Computing kpt #: 298 total cpu time spent up to now is 256.4 secs Computing kpt #: 299 total cpu time spent up to now is 257.3 secs Computing kpt #: 300 total cpu time spent up to now is 258.2 secs Computing kpt #: 301 total cpu time spent up to now is 259.2 secs Computing kpt #: 302 total cpu time spent up to now is 260.2 secs Computing kpt #: 303 total cpu time spent up to now is 261.2 secs Computing kpt #: 304 total cpu time spent up to now is 262.2 secs Computing kpt #: 305 total cpu time spent up to now is 263.2 secs Computing kpt #: 306 total cpu time spent up to now is 264.2 secs Computing kpt #: 307 total cpu time spent up to now is 265.1 secs Computing kpt #: 308 total cpu time spent up to now is 266.1 secs Computing kpt #: 309 total cpu time spent up to now is 267.1 secs Computing kpt #: 310 total cpu time spent up to now is 268.1 secs Computing kpt #: 311 total cpu time spent up to now is 269.1 secs Computing kpt #: 312 total cpu time spent up to now is 270.1 secs Computing kpt #: 313 total cpu time spent up to now is 271.2 secs Computing kpt #: 314 total cpu time spent up to now is 272.2 secs Computing kpt #: 315 total cpu time spent up to now is 273.2 secs Computing kpt #: 316 total cpu time spent up to now is 274.2 secs Computing kpt #: 317 total cpu time spent up to now is 275.2 secs Computing kpt #: 318 total cpu time spent up to now is 276.1 secs Computing kpt #: 319 total cpu time spent up to now is 277.1 secs Computing kpt #: 320 total cpu time spent up to now is 278.0 secs Computing kpt #: 321 total cpu time spent up to now is 279.0 secs Computing kpt #: 322 total cpu time spent up to now is 279.9 secs Computing kpt #: 323 total cpu time spent up to now is 280.8 secs Computing kpt #: 324 total cpu time spent up to now is 281.8 secs Computing kpt #: 325 total cpu time spent up to now is 282.6 secs Computing kpt #: 326 total cpu time spent up to now is 283.6 secs Computing kpt #: 327 total cpu time spent up to now is 284.5 secs Computing kpt #: 328 total cpu time spent up to now is 285.5 secs Computing kpt #: 329 total cpu time spent up to now is 286.4 secs Computing kpt #: 330 total cpu time spent up to now is 287.4 secs Computing kpt #: 331 total cpu time spent up to now is 288.4 secs Computing kpt #: 332 total cpu time spent up to now is 289.4 secs Computing kpt #: 333 total cpu time spent up to now is 290.4 secs Computing kpt #: 334 total cpu time spent up to now is 291.4 secs Computing kpt #: 335 total cpu time spent up to now is 292.4 secs Computing kpt #: 336 total cpu time spent up to now is 293.4 secs Computing kpt #: 337 total cpu time spent up to now is 294.4 secs Computing kpt #: 338 total cpu time spent up to now is 295.4 secs Computing kpt #: 339 total cpu time spent up to now is 296.4 secs Computing kpt #: 340 total cpu time spent up to now is 297.4 secs Computing kpt #: 341 total cpu time spent up to now is 298.4 secs Computing kpt #: 342 total cpu time spent up to now is 299.3 secs Computing kpt #: 343 total cpu time spent up to now is 300.4 secs Computing kpt #: 344 total cpu time spent up to now is 301.4 secs Computing kpt #: 345 total cpu time spent up to now is 302.6 secs Computing kpt #: 346 total cpu time spent up to now is 303.9 secs Computing kpt #: 347 total cpu time spent up to now is 305.4 secs Computing kpt #: 348 total cpu time spent up to now is 306.7 secs Computing kpt #: 349 total cpu time spent up to now is 307.8 secs Computing kpt #: 350 total cpu time spent up to now is 308.9 secs Computing kpt #: 351 total cpu time spent up to now is 309.6 secs Computing kpt #: 352 total cpu time spent up to now is 310.4 secs Computing kpt #: 353 total cpu time spent up to now is 311.1 secs Computing kpt #: 354 total cpu time spent up to now is 311.9 secs Computing kpt #: 355 total cpu time spent up to now is 312.7 secs Computing kpt #: 356 total cpu time spent up to now is 313.4 secs Computing kpt #: 357 total cpu time spent up to now is 314.2 secs Computing kpt #: 358 total cpu time spent up to now is 315.0 secs Computing kpt #: 359 total cpu time spent up to now is 315.7 secs Computing kpt #: 360 total cpu time spent up to now is 316.5 secs Computing kpt #: 361 total cpu time spent up to now is 317.3 secs Computing kpt #: 362 total cpu time spent up to now is 318.0 secs Computing kpt #: 363 total cpu time spent up to now is 318.8 secs Computing kpt #: 364 total cpu time spent up to now is 319.6 secs Computing kpt #: 365 total cpu time spent up to now is 320.4 secs Computing kpt #: 366 total cpu time spent up to now is 321.2 secs Computing kpt #: 367 total cpu time spent up to now is 322.0 secs Computing kpt #: 368 total cpu time spent up to now is 322.7 secs Computing kpt #: 369 total cpu time spent up to now is 323.5 secs Computing kpt #: 370 total cpu time spent up to now is 324.2 secs Computing kpt #: 371 total cpu time spent up to now is 324.9 secs Computing kpt #: 372 total cpu time spent up to now is 325.6 secs Computing kpt #: 373 total cpu time spent up to now is 326.3 secs Computing kpt #: 374 total cpu time spent up to now is 327.0 secs Computing kpt #: 375 total cpu time spent up to now is 327.6 secs Computing kpt #: 376 total cpu time spent up to now is 328.3 secs Computing kpt #: 377 total cpu time spent up to now is 329.0 secs Computing kpt #: 378 total cpu time spent up to now is 329.6 secs ethr = 2.50E-11, avg # of iterations = 30.7 total cpu time spent up to now is 329.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3217 PWs) bands (ev): -5.7064 -5.7064 -4.9013 -4.9013 -4.8864 -4.8864 -2.7421 -2.7421 -2.6895 -2.6895 2.3611 2.3611 2.4266 2.4266 6.9336 6.9336 6.9428 6.9428 8.9871 8.9871 9.0029 9.0029 9.1386 9.1386 9.1543 9.1543 9.6669 9.6669 9.6794 9.6794 9.7081 9.7081 9.7205 9.7205 10.1208 10.1208 10.1731 10.1731 10.1816 10.1816 15.6553 15.6553 16.1121 16.1121 16.7446 16.7446 16.8635 16.8635 k = 0.0083 0.0048-0.0000 ( 3217 PWs) bands (ev): -5.7052 -5.7052 -4.9001 -4.9001 -4.8852 -4.8851 -2.7411 -2.7410 -2.6884 -2.6883 2.3621 2.3621 2.4276 2.4276 6.9336 6.9338 6.9428 6.9430 8.9809 8.9812 8.9975 8.9975 9.1347 9.1351 9.1511 9.1511 9.6533 9.6538 9.6624 9.6624 9.7181 9.7186 9.7271 9.7272 10.1193 10.1202 10.1692 10.1702 10.1790 10.1791 15.6604 15.6606 16.1161 16.1162 16.7478 16.7482 16.8657 16.8660 k = 0.0167 0.0096-0.0000 ( 3223 PWs) bands (ev): -5.7014 -5.7014 -4.8964 -4.8964 -4.8815 -4.8814 -2.7377 -2.7375 -2.6851 -2.6849 2.3652 2.3653 2.4307 2.4308 6.9339 6.9343 6.9431 6.9435 8.9592 8.9599 8.9847 8.9848 9.1200 9.1208 9.1446 9.1447 9.6179 9.6190 9.6350 9.6350 9.7250 9.7259 9.7419 9.7420 10.1151 10.1173 10.1551 10.1577 10.1745 10.1748 15.6758 15.6762 16.1279 16.1279 16.7572 16.7581 16.8721 16.8726 k = 0.0250 0.0144-0.0000 ( 3217 PWs) bands (ev): -5.6951 -5.6951 -4.8902 -4.8902 -4.8753 -4.8753 -2.7321 -2.7318 -2.6794 -2.6791 2.3703 2.3704 2.4359 2.4360 6.9343 6.9350 6.9436 6.9443 8.9200 8.9211 8.9678 8.9679 9.0920 9.0930 9.1374 9.1375 9.5683 9.5699 9.6048 9.6049 9.7214 9.7228 9.7577 9.7578 10.1051 10.1107 10.1318 10.1378 10.1694 10.1697 15.7009 15.7016 16.1466 16.1467 16.7722 16.7734 16.8810 16.8813 k = 0.0333 0.0192-0.0000 ( 3225 PWs) bands (ev): -5.6864 -5.6864 -4.8816 -4.8816 -4.8667 -4.8666 -2.7243 -2.7239 -2.6716 -2.6712 2.3775 2.3777 2.4431 2.4433 6.9349 6.9358 6.9442 6.9451 8.8652 8.8665 8.9463 8.9463 9.0513 9.0526 9.1283 9.1284 9.5078 9.5099 9.5717 9.5717 9.7078 9.7097 9.7715 9.7715 10.0800 10.0866 10.1137 10.1208 10.1628 10.1630 15.7346 15.7355 16.1709 16.1711 16.7906 16.7920 16.8892 16.8895 k = 0.0417 0.0241-0.0000 ( 3225 PWs) bands (ev): -5.6751 -5.6751 -4.8706 -4.8705 -4.8556 -4.8555 -2.7141 -2.7136 -2.6614 -2.6609 2.3868 2.3870 2.4524 2.4526 6.9355 6.9367 6.9449 6.9461 8.7963 8.7979 8.9200 8.9200 8.9989 9.0004 9.1166 9.1167 9.4376 9.4401 9.5358 9.5359 9.6844 9.6867 9.7827 9.7828 10.0373 10.0419 10.1046 10.1097 10.1544 10.1546 15.7755 15.7765 16.1986 16.1990 16.8077 16.8095 16.8934 16.8951 k = 0.0500 0.0289-0.0000 ( 3225 PWs) bands (ev): -5.6613 -5.6613 -4.8570 -4.8569 -4.8421 -4.8420 -2.7017 -2.7012 -2.6490 -2.6484 2.3981 2.3983 2.4638 2.4640 6.9359 6.9374 6.9456 6.9470 8.7146 8.7164 8.8892 8.8893 8.9353 8.9370 9.1020 9.1020 9.3582 9.3611 9.4975 9.4976 9.6514 9.6542 9.7911 9.7911 9.9822 9.9859 10.0956 10.0998 10.1440 10.1443 15.8212 15.8223 16.2269 16.2276 16.8137 16.8152 16.8959 16.8993 k = 0.0583 0.0337-0.0000 ( 3229 PWs) bands (ev): -5.6450 -5.6450 -4.8411 -4.8410 -4.8261 -4.8260 -2.6871 -2.6864 -2.6344 -2.6337 2.4114 2.4117 2.4771 2.4774 6.9359 6.9376 6.9461 6.9478 8.6213 8.6233 8.8521 8.8531 8.8634 8.8644 9.0843 9.0843 9.2706 9.2740 9.4568 9.4569 9.6094 9.6126 9.7967 9.7967 9.9172 9.9205 10.0853 10.0891 10.1317 10.1320 15.8686 15.8696 16.2519 16.2531 16.7970 16.7974 16.9026 16.9070 k = 0.0667 0.0385-0.0000 ( 3239 PWs) bands (ev): -5.6262 -5.6262 -4.8226 -4.8225 -4.8076 -4.8075 -2.6703 -2.6695 -2.6175 -2.6167 2.4267 2.4270 2.4925 2.4928 6.9351 6.9371 6.9464 6.9483 8.5174 8.5197 8.7751 8.7776 8.8175 8.8177 9.0635 9.0635 9.1757 9.1796 9.4140 9.4141 9.5590 9.5625 9.7993 9.7994 9.8431 9.8462 10.0735 10.0773 10.1174 10.1177 15.9131 15.9139 16.2693 16.2710 16.7586 16.7590 16.9087 16.9140 k = 0.0750 0.0433-0.0000 ( 3237 PWs) bands (ev): -5.6049 -5.6049 -4.8018 -4.8016 -4.7868 -4.7866 -2.6512 -2.6503 -2.5984 -2.5975 2.4440 2.4444 2.5098 2.5102 6.9330 6.9354 6.9463 6.9485 8.4042 8.4068 8.6817 8.6845 8.7760 8.7761 9.0396 9.0396 9.0745 9.0788 9.3692 9.3694 9.5007 9.5046 9.7606 9.7637 9.7992 9.7993 10.0603 10.0640 10.1012 10.1015 15.9483 15.9487 16.2747 16.2771 16.7080 16.7084 16.9081 16.9145 k = 0.0833 0.0481-0.0000 ( 3249 PWs) bands (ev): -5.5812 -5.5812 -4.7785 -4.7783 -4.7634 -4.7633 -2.6299 -2.6289 -2.5771 -2.5761 2.4632 2.4636 2.5292 2.5295 6.9290 6.9317 6.9457 6.9481 8.2827 8.2854 8.5797 8.5827 8.7318 8.7319 8.9679 8.9727 9.0130 9.0130 9.3226 9.3228 9.4353 9.4395 9.6706 9.6737 9.7962 9.7963 10.0454 10.0492 10.0829 10.0833 15.9658 15.9661 16.2651 16.2683 16.6511 16.6513 16.9035 16.9106 k = 0.0917 0.0529-0.0000 ( 3253 PWs) bands (ev): -5.5550 -5.5550 -4.7527 -4.7526 -4.7377 -4.7375 -2.6064 -2.6053 -2.5535 -2.5524 2.4844 2.4848 2.5504 2.5508 6.9225 6.9255 6.9442 6.9469 8.1539 8.1568 8.4700 8.4732 8.6852 8.6853 8.8574 8.8627 8.9835 8.9836 9.2742 9.2746 9.3634 9.3680 9.5735 9.5766 9.7905 9.7906 10.0290 10.0329 10.0627 10.0631 15.9576 15.9587 16.2394 16.2434 16.5896 16.5904 16.9042 16.9114 k = 0.1000 0.0577-0.0000 ( 3257 PWs) bands (ev): -5.5262 -5.5262 -4.7246 -4.7244 -4.7095 -4.7093 -2.5807 -2.5796 -2.5278 -2.5266 2.5074 2.5078 2.5735 2.5739 6.9124 6.9158 6.9415 6.9444 8.0189 8.0219 8.3535 8.3569 8.6364 8.6365 8.7444 8.7501 8.9515 8.9516 9.2243 9.2248 9.2860 9.2907 9.4700 9.4732 9.7822 9.7822 10.0108 10.0148 10.0406 10.0411 15.9206 15.9224 16.1973 16.2019 16.5234 16.5244 16.9196 16.9262 k = 0.1083 0.0625-0.0000 ( 3259 PWs) bands (ev): -5.4951 -5.4951 -4.6940 -4.6938 -4.6789 -4.6787 -2.5529 -2.5516 -2.4999 -2.4986 2.5323 2.5327 2.5984 2.5989 6.8977 6.9016 6.9371 6.9404 7.8786 7.8818 8.2310 8.2347 8.5858 8.5858 8.6302 8.6364 8.9172 8.9172 9.1726 9.1737 9.2040 9.2085 9.3610 9.3643 9.7712 9.7712 9.9908 9.9951 10.0168 10.0173 15.8576 15.8600 16.1393 16.1444 16.4512 16.4517 16.9532 16.9589 k = 0.1167 0.0674-0.0000 ( 3251 PWs) bands (ev): -5.4614 -5.4614 -4.6610 -4.6608 -4.6458 -4.6456 -2.5229 -2.5215 -2.4698 -2.4685 2.5589 2.5594 2.6252 2.6256 6.8771 6.8813 6.9304 6.9339 7.7342 7.7375 8.1035 8.1074 8.5167 8.5233 8.5337 8.5337 8.8807 8.8807 9.1116 9.1187 9.1245 9.1258 9.2472 9.2507 9.7577 9.7578 9.9691 9.9736 9.9911 9.9918 15.7746 15.7774 16.0672 16.0724 16.3722 16.3724 17.0012 17.0059 k = 0.1250 0.0722-0.0000 ( 3251 PWs) bands (ev): -5.4253 -5.4253 -4.6257 -4.6254 -4.6104 -4.6102 -2.4908 -2.4893 -2.4376 -2.4362 2.5872 2.5877 2.6536 2.6541 6.8486 6.8531 6.9205 6.9243 7.5870 7.5904 7.9717 7.9758 8.4059 8.4130 8.4801 8.4801 8.8423 8.8423 9.0237 9.0303 9.0689 9.0695 9.1298 9.1336 9.7419 9.7419 9.9455 9.9502 9.9639 9.9647 15.6776 15.6804 15.9839 15.9892 16.2867 16.2877 17.0540 17.0577 k = 0.1333 0.0770-0.0000 ( 3255 PWs) bands (ev): -5.3868 -5.3868 -4.5879 -4.5877 -4.5726 -4.5724 -2.4565 -2.4550 -2.4033 -2.4017 2.6172 2.6177 2.6837 2.6842 6.8103 6.8150 6.9062 6.9103 7.4384 7.4418 7.8366 7.8409 8.2999 8.3073 8.4254 8.4254 8.8022 8.8022 8.9287 8.9348 9.0095 9.0138 9.0160 9.0163 9.7238 9.7239 9.9199 9.9248 9.9354 9.9362 15.5709 15.5737 15.8926 15.8977 16.1965 16.1983 17.0969 17.0996 k = 0.1417 0.0818-0.0000 ( 3255 PWs) bands (ev): -5.3458 -5.3458 -4.5478 -4.5476 -4.5324 -4.5322 -2.4202 -2.4185 -2.3669 -2.3652 2.6487 2.6492 2.7154 2.7159 6.7596 6.7645 6.8855 6.8898 7.2907 7.2939 7.6993 7.7038 8.2006 8.2083 8.3699 8.3699 8.7605 8.7605 8.8270 8.8323 8.8934 8.8991 8.9603 8.9606 9.7037 9.7037 9.8922 9.8972 9.9057 9.9064 15.4575 15.4603 15.7958 15.8007 16.1030 16.1054 17.1120 17.1138 k = 0.1500 0.0866-0.0000 ( 3259 PWs) bands (ev): -5.3024 -5.3024 -4.5054 -4.5051 -4.4899 -4.4896 -2.3819 -2.3801 -2.3284 -2.3267 2.6817 2.6822 2.7485 2.7490 6.6941 6.6988 6.8550 6.8592 7.1474 7.1502 7.5611 7.5658 8.1100 8.1178 8.3137 8.3137 8.7143 8.7174 8.7179 8.7191 8.7845 8.7915 8.9052 8.9054 9.6816 9.6817 9.8625 9.8673 9.8750 9.8754 15.3397 15.3423 15.6954 15.7001 16.0070 16.0100 17.0920 17.0933 k = 0.1583 0.0914-0.0000 ( 3249 PWs) bands (ev): -5.2566 -5.2566 -4.4606 -4.4603 -4.4450 -4.4447 -2.3415 -2.3396 -2.2879 -2.2861 2.7160 2.7165 2.7831 2.7836 6.6115 6.6157 6.8076 6.8112 7.0154 7.0171 7.4239 7.4286 8.0292 8.0368 8.2571 8.2571 8.5924 8.5963 8.6736 8.6736 8.6853 8.6931 8.8498 8.8500 9.6578 9.6578 9.8309 9.8353 9.8432 9.8433 15.2189 15.2212 15.5928 15.5974 15.9096 15.9130 17.0459 17.0470 k = 0.1667 0.0962-0.0000 ( 3247 PWs) bands (ev): -5.2084 -5.2083 -4.4134 -4.4131 -4.3977 -4.3974 -2.2992 -2.2972 -2.2454 -2.2434 2.7515 2.7520 2.8188 2.8193 6.5106 6.5139 6.7312 6.7333 6.9053 6.9056 7.2902 7.2948 7.9577 7.9651 8.2002 8.2002 8.4660 8.4699 8.5928 8.6009 8.6287 8.6287 8.7942 8.7944 9.6323 9.6323 9.7975 9.8017 9.8097 9.8101 15.0961 15.0982 15.4892 15.4936 15.8113 15.8151 16.9840 16.9850 k = 0.1750 0.1010-0.0000 ( 3251 PWs) bands (ev): -5.1578 -5.1578 -4.3640 -4.3637 -4.3481 -4.3479 -2.2549 -2.2528 -2.2009 -2.1989 2.7881 2.7885 2.8556 2.8561 6.3918 6.3941 6.6224 6.6232 6.8142 6.8159 7.1638 7.1681 7.8935 7.9002 8.1431 8.1431 8.3408 8.3450 8.5057 8.5140 8.5830 8.5830 8.7386 8.7388 9.6053 9.6053 9.7625 9.7667 9.7748 9.7754 14.9722 14.9741 15.3854 15.3896 15.7128 15.7168 16.9119 16.9127 k = 0.1833 0.1058-0.0000 ( 3255 PWs) bands (ev): -5.1049 -5.1048 -4.3123 -4.3120 -4.2963 -4.2960 -2.2087 -2.2065 -2.1545 -2.1524 2.8254 2.8258 2.8933 2.8938 6.2579 6.2590 6.4949 6.4953 6.7244 6.7261 7.0492 7.0526 7.8311 7.8370 8.0861 8.0861 8.2227 8.2274 8.4240 8.4323 8.5368 8.5368 8.6831 8.6832 9.5770 9.5771 9.7261 9.7306 9.7386 9.7389 14.8478 14.8495 15.2818 15.2859 15.6144 15.6186 16.8326 16.8333 k = 0.1917 0.1107-0.0000 ( 3251 PWs) bands (ev): -5.0495 -5.0495 -4.2584 -4.2581 -4.2421 -4.2418 -2.1607 -2.1584 -2.1062 -2.1040 2.8634 2.8638 2.9317 2.9321 6.1129 6.1129 6.3587 6.3592 6.6216 6.6221 6.9485 6.9506 7.7615 7.7663 8.0293 8.0294 8.1204 8.1257 8.3483 8.3565 8.4902 8.4903 8.6278 8.6279 9.5476 9.5477 9.6881 9.6933 9.7010 9.7012 14.7234 14.7248 15.1792 15.1830 15.5165 15.5209 16.7479 16.7485 k = 0.2000 0.1155-0.0000 ( 3245 PWs) bands (ev): -4.9919 -4.9918 -4.2022 -4.2019 -4.1856 -4.1853 -2.1110 -2.1085 -2.0561 -2.0537 2.9017 2.9020 2.9704 2.9707 5.9597 5.9604 6.2173 6.2177 6.5025 6.5033 6.8587 6.8595 7.6741 7.6780 7.9729 7.9729 8.0432 8.0490 8.2791 8.2872 8.4435 8.4435 8.5728 8.5729 9.5173 9.5173 9.6483 9.6541 9.6624 9.6632 14.5993 14.6006 15.0776 15.0814 15.4193 15.4239 16.6591 16.6594 k = 0.2083 0.1203-0.0000 ( 3251 PWs) bands (ev): -4.9319 -4.9318 -4.1439 -4.1435 -4.1269 -4.1266 -2.0595 -2.0570 -2.0042 -2.0017 2.9399 2.9401 3.0091 3.0094 5.8023 5.8036 6.0717 6.0719 6.3717 6.3736 6.7737 6.7737 7.5650 7.5682 7.9169 7.9169 7.9941 8.0000 8.2171 8.2248 8.3966 8.3966 8.5183 8.5184 9.4860 9.4861 9.6064 9.6124 9.6239 9.6248 14.4761 14.4772 14.9776 14.9812 15.3232 15.3279 16.5670 16.5672 k = 0.2167 0.1251-0.0000 ( 3253 PWs) bands (ev): -4.8697 -4.8696 -4.0834 -4.0830 -4.0660 -4.0657 -2.0064 -2.0038 -1.9505 -1.9480 2.9778 2.9778 3.0473 3.0476 5.6430 5.6447 5.9229 5.9230 6.2347 6.2375 6.6880 6.6884 7.4385 7.4415 7.8615 7.8615 7.9672 7.9731 8.1623 8.1696 8.3499 8.3499 8.4644 8.4645 9.4542 9.4543 9.5621 9.5682 9.5856 9.5864 14.3538 14.3548 14.8793 14.8827 15.2283 15.2330 16.4725 16.4726 k = 0.2250 0.1299-0.0000 ( 3261 PWs) bands (ev): -4.8052 -4.8051 -4.0208 -4.0204 -4.0029 -4.0026 -1.9518 -1.9490 -1.8952 -1.8926 3.0146 3.0146 3.0845 3.0847 5.4831 5.4852 5.7717 5.7721 6.0951 6.0986 6.5995 6.5999 7.3012 7.3040 7.8068 7.8068 7.9553 7.9608 8.1146 8.1214 8.3033 8.3034 8.4111 8.4112 9.4218 9.4219 9.5157 9.5216 9.5475 9.5482 14.2329 14.2337 14.7829 14.7862 15.1347 15.1395 16.3764 16.3764 k = 0.2333 0.1347-0.0000 ( 3263 PWs) bands (ev): -4.7384 -4.7383 -3.9561 -3.9557 -3.9375 -3.9372 -1.8958 -1.8929 -1.8383 -1.8355 3.0498 3.0500 3.1200 3.1201 5.3240 5.3262 5.6194 5.6202 5.9552 5.9592 6.5066 6.5069 7.1575 7.1602 7.7529 7.7529 7.9527 7.9579 8.0739 8.0801 8.2572 8.2572 8.3585 8.3586 9.3890 9.3891 9.4672 9.4730 9.5096 9.5101 14.1136 14.1142 14.6886 14.6917 15.0427 15.0474 16.2793 16.2794 k = 0.2417 0.1395-0.0000 ( 3258 PWs) bands (ev): -4.6695 -4.6693 -3.8894 -3.8890 -3.8700 -3.8697 -1.8384 -1.8354 -1.7798 -1.7770 3.0827 3.0831 3.1527 3.1527 5.1665 5.1688 5.4674 5.4687 5.8168 5.8213 6.4092 6.4093 7.0098 7.0125 7.6999 7.7000 7.9554 7.9603 8.0404 8.0459 8.2114 8.2115 8.3069 8.3069 9.3559 9.3561 9.4167 9.4224 9.4719 9.4723 13.9960 13.9964 14.5964 14.5995 14.9523 14.9570 16.1820 16.1822 k = 0.2500 0.1443-0.0000 ( 3254 PWs) bands (ev): -4.5983 -4.5982 -3.8207 -3.8203 -3.8004 -3.8001 -1.7799 -1.7767 -1.7199 -1.7170 3.1125 3.1131 3.1813 3.1814 5.0113 5.0136 5.3174 5.3193 5.6814 5.6862 6.3073 6.3077 6.8598 6.8625 7.6480 7.6480 7.9585 7.9630 8.0161 8.0209 8.1663 8.1664 8.2561 8.2562 9.3228 9.3230 9.3645 9.3700 9.4344 9.4347 13.8804 13.8808 14.5066 14.5095 14.8636 14.8683 16.0851 16.0854 k = 0.2583 0.1491-0.0000 ( 3260 PWs) bands (ev): -4.5250 -4.5248 -3.7501 -3.7496 -3.7286 -3.7284 -1.7203 -1.7170 -1.6586 -1.6556 3.1381 3.1389 3.2043 3.2046 4.8587 4.8610 5.1714 5.1740 5.5501 5.5552 6.2018 6.2028 6.7084 6.7111 7.5970 7.5970 7.9527 7.9569 8.0078 8.0120 8.1219 8.1219 8.2064 8.2065 9.2894 9.2899 9.3107 9.3159 9.3973 9.3975 13.7671 13.7673 14.4193 14.4220 14.7767 14.7813 15.9891 15.9894 k = 0.2667 0.1540-0.0000 ( 3256 PWs) bands (ev): -4.4496 -4.4494 -3.6776 -3.6772 -3.6548 -3.6546 -1.6599 -1.6564 -1.5961 -1.5930 3.1583 3.1594 3.2199 3.2202 4.7089 4.7109 5.0324 5.0358 5.4243 5.4296 6.0939 6.0954 6.5565 6.5591 7.5473 7.5473 7.9362 7.9398 8.0155 8.0192 8.0782 8.0783 8.1578 8.1579 9.2522 9.2568 9.2595 9.2605 9.3606 9.3608 13.6561 13.6562 14.3343 14.3370 14.6917 14.6963 15.8945 15.8949 k = 0.2750 0.1588-0.0000 ( 3260 PWs) bands (ev): -4.3721 -4.3719 -3.6034 -3.6029 -3.5790 -3.5787 -1.5988 -1.5952 -1.5324 -1.5292 3.1715 3.1728 3.2258 3.2262 4.5612 4.5628 4.9040 4.9082 5.3050 5.3104 5.9847 5.9869 6.4045 6.4071 7.4987 7.4987 7.9161 7.9191 8.0299 8.0331 8.0358 8.0360 8.1104 8.1104 9.1974 9.2034 9.2244 9.2248 9.3245 9.3246 13.5478 13.5478 14.2520 14.2545 14.6086 14.6132 15.8016 15.8020 k = 0.2833 0.1636-0.0000 ( 3264 PWs) bands (ev): -4.2926 -4.2923 -3.5275 -3.5270 -3.5012 -3.5009 -1.5373 -1.5336 -1.4678 -1.4645 3.1754 3.1770 3.2205 3.2209 4.4144 4.4155 4.7901 4.7952 5.1933 5.1988 5.8756 5.8785 6.2532 6.2557 7.4514 7.4514 7.8953 7.8976 7.9936 7.9936 8.0477 8.0509 8.0642 8.0644 9.1398 9.1454 9.1920 9.1923 9.2890 9.2892 13.4423 13.4423 14.1722 14.1746 14.5277 14.5322 15.7108 15.7113 k = 0.2917 0.1684-0.0000 ( 3276 PWs) bands (ev): -4.2111 -4.2108 -3.4499 -3.4494 -3.4214 -3.4212 -1.4756 -1.4718 -1.4023 -1.3989 3.1659 3.1677 3.2043 3.2047 4.2673 4.2680 4.6948 4.7006 5.0900 5.0955 5.7682 5.7718 6.1031 6.1056 7.4055 7.4055 7.8739 7.8756 7.9528 7.9528 8.0191 8.0192 8.0667 8.0693 9.0814 9.0868 9.1602 9.1603 9.2543 9.2544 13.3398 13.3399 14.0952 14.0975 14.4489 14.4532 15.6224 15.6229 k = 0.3000 0.1732-0.0000 ( 3268 PWs) bands (ev): -4.1276 -4.1273 -3.3708 -3.3703 -3.3397 -3.3395 -1.4141 -1.4101 -1.3360 -1.3326 3.1362 3.1377 3.1815 3.1822 4.1190 4.1193 4.6203 4.6265 4.9957 5.0010 5.6640 5.6685 5.9553 5.9577 7.3610 7.3610 7.8516 7.8526 7.9131 7.9132 7.9756 7.9757 8.0853 8.0876 9.0227 9.0280 9.1289 9.1291 9.2203 9.2204 13.2407 13.2407 14.0208 14.0230 14.3723 14.3766 15.5366 15.5370 k = 0.3083 0.1780-0.0000 ( 3264 PWs) bands (ev): -4.0423 -4.0420 -3.2903 -3.2898 -3.2562 -3.2560 -1.3530 -1.3489 -1.2694 -1.2658 3.0844 3.0854 3.1532 3.1542 3.9691 3.9692 4.5659 4.5722 4.9106 4.9158 5.5646 5.5699 5.8114 5.8137 7.3180 7.3180 7.8279 7.8282 7.8747 7.8747 7.9334 7.9335 8.1032 8.1051 8.9644 8.9694 9.0983 9.0984 9.1873 9.1874 13.1450 13.1450 13.9492 13.9513 14.2981 14.3022 15.4534 15.4539 k = 0.3167 0.1828-0.0000 ( 3264 PWs) bands (ev): -3.9552 -3.9548 -3.2086 -3.2080 -3.1709 -3.1708 -1.2928 -1.2885 -1.2024 -1.1988 3.0148 3.0154 3.1163 3.1174 3.8181 3.8181 4.5275 4.5335 4.8353 4.8402 5.4704 5.4766 5.6746 5.6770 7.2765 7.2765 7.8019 7.8022 7.8375 7.8375 7.8927 7.8929 8.1193 8.1209 8.9072 8.9119 9.0685 9.0686 9.1552 9.1552 13.0530 13.0530 13.8804 13.8824 14.2262 14.2302 15.3731 15.3735 k = 0.3250 0.1876-0.0000 ( 3260 PWs) bands (ev): -3.8663 -3.8659 -3.1257 -3.1251 -3.0840 -3.0839 -1.2340 -1.2295 -1.1356 -1.1319 2.9319 2.9321 3.0695 3.0705 3.6666 3.6667 4.4967 4.5022 4.7714 4.7762 5.3789 5.3856 5.5519 5.5546 7.2365 7.2365 7.7731 7.7740 7.8016 7.8016 7.8535 7.8537 8.1327 8.1338 8.8521 8.8564 9.0394 9.0395 9.1241 9.1241 12.9649 12.9649 13.8144 13.8163 14.1569 14.1607 15.2956 15.2960 k = 0.3333 0.1925-0.0000 ( 3260 PWs) bands (ev): -3.7758 -3.7754 -3.0418 -3.0413 -2.9954 -2.9954 -1.1769 -1.1723 -1.0690 -1.0653 2.8392 2.8394 3.0133 3.0142 3.5155 3.5156 4.4615 4.4659 4.7231 4.7280 5.2825 5.2889 5.4555 5.4594 7.1981 7.1982 7.7413 7.7429 7.7670 7.7671 7.8158 7.8160 8.1421 8.1426 8.8003 8.8041 9.0113 9.0114 9.0940 9.0941 12.8808 12.8809 13.7513 13.7531 14.0901 14.0938 15.2210 15.2214 k = 0.3417 0.1973-0.0000 ( 3264 PWs) bands (ev): -3.6838 -3.6833 -2.9572 -2.9566 -2.9054 -2.9053 -1.1223 -1.1175 -1.0033 -0.9995 2.7403 2.7409 2.9491 2.9497 3.3654 3.3655 4.4098 4.4129 4.6923 4.6975 5.1792 5.1849 5.3935 5.3989 7.1614 7.1615 7.7063 7.7085 7.7339 7.7340 7.7796 7.7800 8.1459 8.1461 8.7534 8.7566 8.9841 8.9842 9.0652 9.0652 12.8010 12.8011 13.6911 13.6927 14.0260 14.0295 15.1493 15.1497 k = 0.3500 0.2021-0.0000 ( 3264 PWs) bands (ev): -3.5903 -3.5898 -2.8720 -2.8714 -2.8139 -2.8139 -1.0706 -1.0658 -0.9387 -0.9349 2.6384 2.6393 2.8787 2.8791 3.2172 3.2172 4.3382 4.3404 4.6695 4.6745 5.0827 5.0881 5.3614 5.3679 7.1264 7.1264 7.6676 7.6703 7.7023 7.7023 7.7451 7.7454 8.1420 8.1428 8.7129 8.7154 8.9580 8.9580 9.0375 9.0375 12.7255 12.7257 13.6337 13.6353 13.9647 13.9680 15.0807 15.0810 k = 0.3583 0.2069-0.0000 ( 3260 PWs) bands (ev): -3.4955 -3.4949 -2.7865 -2.7859 -2.7212 -2.7211 -1.0227 -1.0178 -0.8759 -0.8720 2.5359 2.5370 2.8044 2.8045 3.0715 3.0715 4.2510 4.2526 4.6318 4.6362 5.0155 5.0212 5.3520 5.3592 7.0931 7.0931 7.6249 7.6282 7.6721 7.6722 7.7122 7.7126 8.1294 8.1310 8.6804 8.6822 8.9330 8.9330 9.0110 9.0110 12.6546 12.6548 13.5794 13.5808 13.9062 13.9094 15.0150 15.0153 k = 0.3667 0.2117-0.0000 ( 3266 PWs) bands (ev): -3.3995 -3.3989 -2.7010 -2.7003 -2.6274 -2.6273 -0.9793 -0.9743 -0.8154 -0.8115 2.4348 2.4362 2.7280 2.7282 2.9290 2.9291 4.1532 4.1544 4.5599 4.5635 4.9941 5.0001 5.3603 5.3678 7.0616 7.0616 7.5781 7.5819 7.6436 7.6436 7.6810 7.6813 8.1074 8.1097 8.6568 8.6579 8.9091 8.9091 8.9858 8.9858 12.5882 12.5885 13.5279 13.5293 13.8506 13.8536 14.9524 14.9527 k = 0.3750 0.2165-0.0000 ( 3264 PWs) bands (ev): -3.3026 -3.3019 -2.6158 -2.6152 -2.5326 -2.5324 -0.9412 -0.9361 -0.7579 -0.7539 2.3369 2.3384 2.6518 2.6522 2.7907 2.7909 4.0485 4.0495 4.4581 4.4613 5.0116 5.0179 5.3825 5.3902 7.0318 7.0318 7.5270 7.5312 7.6166 7.6166 7.6515 7.6518 8.0760 8.0790 8.6420 8.6425 8.8864 8.8864 8.9620 8.9620 12.5265 12.5268 13.4795 13.4807 13.7981 13.8009 14.8929 14.8932 k = 0.3833 0.2213-0.0000 ( 3268 PWs) bands (ev): -3.2048 -3.2040 -2.5314 -2.5307 -2.4370 -2.4367 -0.9093 -0.9041 -0.7042 -0.7002 2.2431 2.2447 2.5775 2.5782 2.6581 2.6584 3.9395 3.9404 4.3406 4.3434 5.0524 5.0587 5.4159 5.4236 7.0038 7.0038 7.4716 7.4762 7.5912 7.5912 7.6238 7.6241 8.0365 8.0400 8.6350 8.6350 8.8649 8.8650 8.9395 8.9395 12.4694 12.4698 13.4341 13.4352 13.7486 13.7512 14.8367 14.8370 k = 0.3917 0.2261-0.0000 ( 3264 PWs) bands (ev): -3.1064 -3.1056 -2.4482 -2.4475 -2.3408 -2.3405 -0.8844 -0.8792 -0.6550 -0.6510 2.1542 2.1558 2.5026 2.5032 2.5371 2.5378 3.8281 3.8290 4.2163 4.2190 5.1062 5.1125 5.4582 5.4658 6.9777 6.9777 7.4119 7.4168 7.5675 7.5675 7.5979 7.5981 7.9905 7.9943 8.6338 8.6342 8.8448 8.8448 8.9184 8.9184 12.4171 12.4175 13.3917 13.3927 13.7023 13.7047 14.7837 14.7840 k = 0.4000 0.2309-0.0000 ( 3272 PWs) bands (ev): -3.0077 -3.0068 -2.3668 -2.3661 -2.2443 -2.2439 -0.8672 -0.8621 -0.6114 -0.6074 2.0704 2.0720 2.4019 2.4023 2.4564 2.4576 3.7157 3.7166 4.0900 4.0925 5.1676 5.1738 5.5076 5.5151 6.9534 6.9534 7.3480 7.3533 7.5455 7.5455 7.5737 7.5739 7.9398 7.9438 8.6373 8.6379 8.8260 8.8260 8.8988 8.8988 12.3693 12.3697 13.3523 13.3533 13.6591 13.6614 14.7342 14.7345 k = 0.4083 0.2358-0.0000 ( 3268 PWs) bands (ev): -2.9089 -2.9080 -2.2879 -2.2872 -2.1477 -2.1473 -0.8583 -0.8533 -0.5741 -0.5702 1.9910 1.9925 2.2943 2.2948 2.4011 2.4025 3.6035 3.6043 3.9641 3.9663 5.2335 5.2396 5.5628 5.5701 6.9309 6.9310 7.2802 7.2858 7.5252 7.5252 7.5514 7.5516 7.8861 7.8902 8.6440 8.6447 8.8086 8.8086 8.8806 8.8806 12.3260 12.3265 13.3160 13.3169 13.6192 13.6213 14.6883 14.6885 k = 0.4167 0.2406-0.0000 ( 3268 PWs) bands (ev): -2.8106 -2.8096 -2.2123 -2.2116 -2.0514 -2.0509 -0.8581 -0.8533 -0.5440 -0.5402 1.9145 1.9159 2.1976 2.1982 2.3579 2.3594 3.4924 3.4932 3.8399 3.8420 5.3020 5.3078 5.6226 5.6298 6.9104 6.9104 7.2088 7.2146 7.5066 7.5066 7.5309 7.5311 7.8309 7.8350 8.6527 8.6535 8.7926 8.7926 8.8639 8.8639 12.2873 12.2878 13.2829 13.2836 13.5827 13.5845 14.6459 14.6462 k = 0.4250 0.2454-0.0000 ( 3270 PWs) bands (ev): -2.7132 -2.7122 -2.1409 -2.1402 -1.9559 -1.9553 -0.8667 -0.8620 -0.5217 -0.5180 1.8392 1.8403 2.1164 2.1172 2.3265 2.3280 3.3834 3.3842 3.7187 3.7206 5.3713 5.3770 5.6862 5.6932 6.8918 6.8918 7.1341 7.1401 7.4897 7.4898 7.5123 7.5124 7.7753 7.7794 8.6624 8.6632 8.7780 8.7781 8.8488 8.8488 12.2528 12.2533 13.2528 13.2535 13.5494 13.5511 14.6073 14.6075 k = 0.4333 0.2502-0.0000 ( 3268 PWs) bands (ev): -2.6173 -2.6162 -2.0749 -2.0742 -1.8615 -1.8608 -0.8838 -0.8793 -0.5077 -0.5042 1.7637 1.7646 2.0531 2.0540 2.3075 2.3090 3.2771 3.2779 3.6014 3.6031 5.4400 5.4454 5.7531 5.7599 6.8751 6.8751 7.0565 7.0626 7.4747 7.4747 7.4955 7.4957 7.7207 7.7246 8.6724 8.6731 8.7649 8.7650 8.8352 8.8352 12.2225 12.2230 13.2259 13.2265 13.5196 13.5211 14.5724 14.5727 k = 0.4417 0.2550-0.0000 ( 3272 PWs) bands (ev): -2.5236 -2.5225 -2.0156 -2.0148 -1.7688 -1.7680 -0.9087 -0.9045 -0.5018 -0.4985 1.6889 1.6896 2.0078 2.0087 2.3011 2.3025 3.1746 3.1753 3.4891 3.4907 5.5066 5.5117 5.8227 5.8294 6.8603 6.8603 6.9764 6.9827 7.4614 7.4614 7.4807 7.4808 7.6680 7.6717 8.6821 8.6828 8.7533 8.7534 8.8231 8.8232 12.1962 12.1967 13.2021 13.2026 13.4933 13.4946 14.5415 14.5417 k = 0.4500 0.2598-0.0000 ( 3268 PWs) bands (ev): -2.4332 -2.4320 -1.9642 -1.9635 -1.6786 -1.6777 -0.9404 -0.9366 -0.5035 -0.5005 1.6172 1.6176 1.9786 1.9794 2.3071 2.3084 3.0765 3.0771 3.3832 3.3846 5.5696 5.5743 5.8949 5.9015 6.8474 6.8474 6.8943 6.9007 7.4499 7.4499 7.4677 7.4678 7.6185 7.6219 8.6912 8.6918 8.7432 8.7433 8.8127 8.8127 12.1739 12.1744 13.1814 13.1819 13.4704 13.4715 14.5146 14.5147 k = 0.4583 0.2646-0.0000 ( 3272 PWs) bands (ev): -2.3474 -2.3462 -1.9223 -1.9216 -1.5915 -1.5905 -0.9779 -0.9744 -0.5116 -0.5090 1.5512 1.5516 1.9624 1.9632 2.3248 2.3260 2.9837 2.9843 3.2854 3.2866 5.6272 5.6314 5.9695 5.9760 6.8102 6.8165 6.8369 6.8370 7.4401 7.4402 7.4567 7.4568 7.5734 7.5764 8.6993 8.6998 8.7347 8.7347 8.8038 8.8039 12.1553 12.1557 13.1639 13.1643 13.4509 13.4519 14.4916 14.4918 k = 0.4667 0.2694-0.0000 ( 3276 PWs) bands (ev): -2.2680 -2.2668 -1.8911 -1.8903 -1.5084 -1.5073 -1.0197 -1.0166 -0.5241 -0.5219 1.4938 1.4940 1.9562 1.9568 2.3529 2.3538 2.8971 2.8976 3.1978 3.1988 5.6776 5.6812 6.0463 6.0528 6.7255 6.7319 6.8278 6.8279 7.4322 7.4322 7.4477 7.4477 7.5340 7.5366 8.7061 8.7065 8.7277 8.7278 8.7966 8.7966 12.1403 12.1406 13.1496 13.1499 13.4350 13.4358 14.4728 14.4729 k = 0.4750 0.2742-0.0000 ( 3276 PWs) bands (ev): -2.1976 -2.1965 -1.8711 -1.8704 -1.4303 -1.4291 -1.0650 -1.0622 -0.5386 -0.5368 1.4469 1.4471 1.9565 1.9570 2.3893 2.3900 2.8177 2.8181 3.1235 3.1242 5.7192 5.7220 6.1251 6.1316 6.6401 6.6466 6.8209 6.8209 7.4260 7.4260 7.4406 7.4406 7.5017 7.5037 8.7114 8.7116 8.7225 8.7226 8.7910 8.7910 12.1288 12.1290 13.1385 13.1387 13.4227 13.4232 14.4581 14.4582 k = 0.4833 0.2791-0.0000 ( 3288 PWs) bands (ev): -2.1399 -2.1390 -1.8616 -1.8609 -1.3582 -1.3568 -1.1127 -1.1104 -0.5520 -0.5508 1.4122 1.4123 1.9600 1.9603 2.4309 2.4314 2.7475 2.7477 3.0661 3.0666 5.7503 5.7522 6.2053 6.2117 6.5552 6.5616 6.8159 6.8159 7.4216 7.4216 7.4354 7.4355 7.4776 7.4790 8.7144 8.7145 8.7196 8.7198 8.7870 8.7870 12.1206 12.1208 13.1305 13.1307 13.4138 13.4142 14.4476 14.4477 k = 0.4917 0.2839-0.0000 ( 3288 PWs) bands (ev): -2.1005 -2.0999 -1.8593 -1.8589 -1.2940 -1.2926 -1.1617 -1.1598 -0.5614 -0.5608 1.3909 1.3910 1.9637 1.9639 2.4703 2.4705 2.6919 2.6920 3.0295 3.0298 5.7697 5.7707 6.2847 6.2906 6.4733 6.4792 6.8129 6.8130 7.4190 7.4190 7.4323 7.4324 7.4629 7.4636 8.7143 8.7143 8.7199 8.7200 8.7846 8.7846 12.1158 12.1159 13.1258 13.1259 13.4086 13.4088 14.4413 14.4413 k = 0.5000 0.2887-0.0000 ( 3292 PWs) bands (ev): -2.0860 -2.0860 -1.8594 -1.8594 -1.2542 -1.2542 -1.1948 -1.1948 -0.5646 -0.5646 1.3838 1.3838 1.9653 1.9653 2.4893 2.4893 2.6678 2.6678 3.0170 3.0170 5.7766 5.7766 6.3414 6.3414 6.4215 6.4215 6.8120 6.8120 7.4181 7.4181 7.4313 7.4313 7.4582 7.4582 8.7138 8.7138 8.7204 8.7204 8.7838 8.7838 12.1142 12.1142 13.1242 13.1242 13.4069 13.4069 14.4392 14.4392 k = 0.5000 0.2887-0.0000 ( 3292 PWs) bands (ev): -2.0860 -2.0860 -1.8594 -1.8594 -1.2542 -1.2542 -1.1948 -1.1948 -0.5646 -0.5646 1.3838 1.3838 1.9653 1.9653 2.4893 2.4893 2.6678 2.6678 3.0170 3.0170 5.7766 5.7766 6.3414 6.3414 6.4215 6.4215 6.8120 6.8120 7.4181 7.4181 7.4313 7.4313 7.4582 7.4582 8.7138 8.7138 8.7204 8.7204 8.7838 8.7838 12.1142 12.1142 13.1242 13.1242 13.4069 13.4069 14.4392 14.4392 k = 0.4952 0.2969-0.0000 ( 3292 PWs) bands (ev): -2.0850 -2.0849 -1.8584 -1.8583 -1.2534 -1.2533 -1.1940 -1.1940 -0.5642 -0.5641 1.3848 1.3849 1.9663 1.9665 2.4902 2.4902 2.6685 2.6686 3.0179 3.0179 5.7765 5.7768 6.3398 6.3405 6.4211 6.4217 6.8034 6.8043 7.4113 7.4125 7.4247 7.4260 7.4573 7.4583 8.6801 8.6809 8.7283 8.7383 8.7865 8.7966 12.1211 12.1216 13.1314 13.1319 13.4150 13.4154 14.4436 14.4438 k = 0.4905 0.3052-0.0000 ( 3286 PWs) bands (ev): -2.0818 -2.0817 -1.8555 -1.8552 -1.2510 -1.2507 -1.1917 -1.1916 -0.5631 -0.5627 1.3882 1.3884 1.9696 1.9698 2.4928 2.4930 2.6709 2.6711 3.0205 3.0206 5.7763 5.7769 6.3356 6.3370 6.4203 6.4215 6.7788 6.7805 7.3923 7.3948 7.4069 7.4092 7.4555 7.4569 8.6319 8.6331 8.7198 8.7277 8.8062 8.8169 12.1421 12.1431 13.1531 13.1542 13.4397 13.4404 14.4568 14.4571 k = 0.4857 0.3134-0.0000 ( 3280 PWs) bands (ev): -2.0765 -2.0764 -1.8505 -1.8500 -1.2470 -1.2465 -1.1878 -1.1876 -0.5610 -0.5605 1.3938 1.3941 1.9751 1.9754 2.4973 2.4975 2.6748 2.6751 3.0249 3.0250 5.7758 5.7768 6.3283 6.3305 6.4191 6.4208 6.7389 6.7415 7.3620 7.3657 7.3787 7.3820 7.4523 7.4538 8.5746 8.5766 8.6955 8.7004 8.8275 8.8369 12.1764 12.1780 13.1889 13.1905 13.4802 13.4813 14.4785 14.4790 k = 0.4810 0.3217-0.0000 ( 3272 PWs) bands (ev): -2.0691 -2.0690 -1.8435 -1.8428 -1.2413 -1.2406 -1.1823 -1.1820 -0.5582 -0.5575 1.4016 1.4020 1.9827 1.9832 2.5035 2.5038 2.6802 2.6807 3.0311 3.0311 5.7748 5.7763 6.3173 6.3202 6.4173 6.4196 6.6850 6.6884 7.3214 7.3263 7.3414 7.3458 7.4472 7.4487 8.5096 8.5120 8.6592 8.6620 8.8450 8.8534 12.2229 12.2249 13.2379 13.2399 13.5359 13.5373 14.5082 14.5088 k = 0.4762 0.3299-0.0000 ( 3274 PWs) bands (ev): -2.0597 -2.0595 -1.8345 -1.8337 -1.2340 -1.2332 -1.1753 -1.1750 -0.5546 -0.5538 1.4117 1.4122 1.9926 1.9932 2.5115 2.5118 2.6872 2.6877 3.0389 3.0390 5.7728 5.7747 6.3013 6.3049 6.4145 6.4176 6.6188 6.6229 7.2720 7.2782 7.2966 7.3021 7.4397 7.4413 8.4374 8.4398 8.6129 8.6142 8.8579 8.8655 12.2800 12.2824 13.2989 13.3012 13.6054 13.6072 14.5453 14.5460 k = 0.4714 0.3382-0.0000 ( 3270 PWs) bands (ev): -2.0481 -2.0479 -1.8235 -1.8225 -1.2251 -1.2241 -1.1667 -1.1664 -0.5503 -0.5493 1.4240 1.4246 2.0046 2.0053 2.5212 2.5216 2.6956 2.6963 3.0484 3.0485 5.7691 5.7715 6.2788 6.2830 6.4100 6.4142 6.5426 6.5473 7.2160 7.2233 7.2465 7.2530 7.4296 7.4313 8.3581 8.3604 8.5581 8.5588 8.8663 8.8732 12.3459 12.3486 13.3703 13.3730 13.6874 13.6894 14.5891 14.5899 k = 0.4667 0.3464-0.0000 ( 3274 PWs) bands (ev): -2.0345 -2.0342 -1.8105 -1.8094 -1.2146 -1.2135 -1.1567 -1.1563 -0.5453 -0.5441 1.4385 1.4392 2.0187 2.0196 2.5326 2.5330 2.7055 2.7063 3.0596 3.0597 5.7627 5.7656 6.2477 6.2520 6.4007 6.4074 6.4610 6.4667 7.1555 7.1640 7.1934 7.2008 7.4162 7.4181 8.2725 8.2745 8.4960 8.4974 8.8705 8.8767 12.4187 12.4217 13.4507 13.4537 13.7801 13.7822 14.6388 14.6396 k = 0.4619 0.3547-0.0000 ( 3278 PWs) bands (ev): -2.0188 -2.0184 -1.7956 -1.7943 -1.2027 -1.2014 -1.1453 -1.1447 -0.5398 -0.5384 1.4553 1.4561 2.0350 2.0360 2.5456 2.5461 2.7167 2.7176 3.0724 3.0725 5.7521 5.7558 6.2046 6.2084 6.3566 6.3638 6.4108 6.4144 7.0932 7.1027 7.1397 7.1478 7.3992 7.4011 8.1810 8.1827 8.4290 8.4313 8.8706 8.8762 12.4965 12.4996 13.5383 13.5415 13.8813 13.8835 14.6937 14.6945 k = 0.4571 0.3629-0.0000 ( 3282 PWs) bands (ev): -2.0010 -2.0006 -1.7787 -1.7772 -1.1892 -1.1877 -1.1324 -1.1318 -0.5337 -0.5322 1.4742 1.4751 2.0534 2.0545 2.5601 2.5607 2.7292 2.7302 3.0867 3.0869 5.7355 5.7400 6.1450 6.1473 6.2741 6.2790 6.3990 6.4012 7.0318 7.0421 7.0878 7.0962 7.3779 7.3798 8.0846 8.0859 8.3591 8.3621 8.8669 8.8719 12.5772 12.5804 13.6315 13.6347 13.9884 13.9906 14.7533 14.7540 k = 0.4524 0.3712-0.0000 ( 3274 PWs) bands (ev): -1.9812 -1.9807 -1.7598 -1.7582 -1.1743 -1.1727 -1.1182 -1.1175 -0.5272 -0.5255 1.4953 1.4963 2.0738 2.0750 2.5762 2.5768 2.7429 2.7439 3.1026 3.1028 5.7103 5.7157 6.0649 6.0676 6.1913 6.1959 6.3886 6.3909 6.9739 6.9847 7.0393 7.0477 7.3520 7.3537 7.9841 7.9851 8.2882 8.2919 8.8596 8.8640 12.6591 12.6622 13.7284 13.7317 14.0982 14.1002 14.8177 14.8182 k = 0.4476 0.3794-0.0000 ( 3278 PWs) bands (ev): -1.9593 -1.9589 -1.7391 -1.7373 -1.1580 -1.1562 -1.1026 -1.1019 -0.5204 -0.5186 1.5185 1.5196 2.0962 2.0975 2.5936 2.5943 2.7576 2.7587 3.1199 3.1201 5.6734 5.6796 5.9687 5.9735 6.1095 6.1149 6.3780 6.3802 6.9215 6.9326 6.9947 7.0026 7.3214 7.3226 7.8808 7.8813 8.2185 8.2226 8.8488 8.8526 12.7404 12.7434 13.8273 13.8306 14.2064 14.2081 14.8874 14.8878 k = 0.4429 0.3876-0.0000 ( 3282 PWs) bands (ev): -1.9355 -1.9350 -1.7164 -1.7145 -1.1404 -1.1385 -1.0859 -1.0851 -0.5135 -0.5114 1.5438 1.5450 2.1205 2.1220 2.6123 2.6131 2.7731 2.7744 3.1385 3.1387 5.6211 5.6277 5.8662 5.8725 6.0246 6.0305 6.3683 6.3700 6.8758 6.8867 6.9531 6.9601 7.2866 7.2872 7.7760 7.7762 8.1518 8.1562 8.8346 8.8378 12.8197 12.8226 13.9266 13.9297 14.3080 14.3093 14.9636 14.9644 k = 0.4381 0.3959-0.0000 ( 3282 PWs) bands (ev): -1.9096 -1.9091 -1.6919 -1.6898 -1.1215 -1.1194 -1.0680 -1.0672 -0.5066 -0.5043 1.5712 1.5725 2.1467 2.1482 2.6322 2.6330 2.7895 2.7908 3.1584 3.1586 5.5502 5.5564 5.7646 5.7712 5.9340 5.9401 6.3609 6.3622 6.8362 6.8466 6.9119 6.9174 7.2489 7.2497 7.6712 7.6717 8.0897 8.0942 8.8172 8.8198 12.8956 12.8982 14.0245 14.0275 14.3977 14.3985 15.0483 15.0498 k = 0.4333 0.4041-0.0000 ( 3278 PWs) bands (ev): -1.8819 -1.8812 -1.6655 -1.6633 -1.1015 -1.0993 -1.0491 -1.0482 -0.4998 -0.4973 1.6007 1.6021 2.1746 2.1763 2.6531 2.6540 2.8063 2.8077 3.1794 3.1797 5.4603 5.4653 5.6669 5.6730 5.8377 5.8437 6.3574 6.3584 6.8007 6.8102 6.8667 6.8706 7.2112 7.2135 7.5690 7.5700 8.0333 8.0378 8.7965 8.7985 12.9670 12.9694 14.1195 14.1223 14.4710 14.4715 15.1425 15.1448 k = 0.4286 0.4124-0.0000 ( 3276 PWs) bands (ev): -1.8522 -1.8515 -1.6374 -1.6350 -1.0804 -1.0780 -1.0293 -1.0283 -0.4933 -0.4907 1.6321 1.6336 2.2041 2.2059 2.6749 2.6760 2.8235 2.8249 3.2015 3.2017 5.3548 5.3582 5.5715 5.5769 5.7364 5.7423 6.3589 6.3600 6.7659 6.7743 6.8125 6.8152 7.1782 7.1823 7.4725 7.4741 7.9831 7.9874 8.7726 8.7741 13.0330 13.0351 14.2095 14.2120 14.5265 14.5271 15.2444 15.2474 k = 0.4238 0.4206-0.0000 ( 3280 PWs) bands (ev): -1.8206 -1.8198 -1.6075 -1.6049 -1.0584 -1.0559 -1.0086 -1.0075 -0.4874 -0.4846 1.6655 1.6671 2.2351 2.2370 2.6975 2.6986 2.8406 2.8422 3.2244 3.2247 5.2392 5.2412 5.4757 5.4807 5.6316 5.6374 6.3658 6.3673 6.7273 6.7342 6.7451 6.7480 7.1537 7.1593 7.3856 7.3879 7.9388 7.9427 8.7455 8.7464 13.0927 13.0946 14.2921 14.2943 14.5665 14.5675 15.3488 15.3524 k = 0.4190 0.4289-0.0000 ( 3276 PWs) bands (ev): -1.7871 -1.7863 -1.5758 -1.5731 -1.0355 -1.0329 -0.9872 -0.9861 -0.4822 -0.4792 1.7008 1.7025 2.2674 2.2694 2.7207 2.7219 2.8575 2.8591 3.2481 3.2484 5.1180 5.1191 5.3782 5.3831 5.5250 5.5307 6.3783 6.3801 6.6632 6.6663 6.6806 6.6866 7.1391 7.1458 7.3125 7.3156 7.8998 7.9033 8.7152 8.7156 13.1455 13.1471 14.3636 14.3654 14.5972 14.5986 15.4473 15.4512 k = 0.4143 0.4371-0.0000 ( 3280 PWs) bands (ev): -1.7519 -1.7510 -1.5425 -1.5396 -1.0120 -1.0092 -0.9653 -0.9641 -0.4781 -0.4749 1.7379 1.7396 2.3006 2.3026 2.7443 2.7456 2.8736 2.8752 3.2723 3.2726 4.9940 4.9950 5.2793 5.2843 5.4182 5.4238 6.3958 6.3977 6.5694 6.5732 6.6208 6.6255 7.1337 7.1410 7.2570 7.2607 7.8652 7.8682 8.6815 8.6817 13.1907 13.1920 14.4186 14.4202 14.6273 14.6289 15.5294 15.5334 k = 0.4095 0.4454-0.0000 ( 3282 PWs) bands (ev): -1.7148 -1.7139 -1.5076 -1.5046 -0.9879 -0.9850 -0.9430 -0.9417 -0.4752 -0.4718 1.7767 1.7785 2.3344 2.3365 2.7682 2.7696 2.8886 2.8902 3.2969 3.2972 4.8695 4.8708 5.1802 5.1855 5.3127 5.3183 6.4174 6.4191 6.4660 6.4703 6.5473 6.5510 7.1357 7.1431 7.2202 7.2245 7.8340 7.8365 8.6442 8.6449 13.2277 13.2287 14.4531 14.4546 14.6643 14.6661 15.5855 15.5895 k = 0.4048 0.4536-0.0000 ( 3286 PWs) bands (ev): -1.6761 -1.6751 -1.4712 -1.4680 -0.9635 -0.9605 -0.9205 -0.9192 -0.4740 -0.4704 1.8172 1.8190 2.3683 2.3705 2.7924 2.7939 2.9018 2.9034 3.3216 3.3219 4.7459 4.7475 5.0825 5.0883 5.2100 5.2157 6.3536 6.3576 6.4412 6.4424 6.4649 6.4683 7.1430 7.1504 7.2010 7.2056 7.8053 7.8074 8.6037 8.6049 13.2563 13.2571 14.4698 14.4711 14.7087 14.7102 15.6118 15.6157 k = 0.4000 0.4619-0.0000 ( 3296 PWs) bands (ev): -1.6357 -1.6346 -1.4333 -1.4299 -0.9389 -0.9358 -0.8982 -0.8968 -0.4746 -0.4708 1.8591 1.8611 2.4018 2.4040 2.8169 2.8185 2.9128 2.9144 3.3461 3.3465 4.6244 4.6261 4.9880 4.9941 5.1117 5.1175 6.2369 6.2412 6.3641 6.3661 6.4759 6.4788 7.1539 7.1612 7.1965 7.2012 7.7784 7.7800 8.5600 8.5616 13.2762 13.2767 14.4761 14.4774 14.7548 14.7561 15.6141 15.6178 k = 0.3952 0.4701-0.0000 ( 3294 PWs) bands (ev): -1.5937 -1.5926 -1.3939 -1.3904 -0.9144 -0.9112 -0.8761 -0.8746 -0.4775 -0.4734 1.9025 1.9045 2.4339 2.4361 2.8419 2.8436 2.9208 2.9224 3.3703 3.3707 4.5056 4.5075 4.8982 4.9048 5.0191 5.0251 6.1164 6.1208 6.2633 6.2650 6.5087 6.5114 7.1673 7.1744 7.2034 7.2081 7.7527 7.7539 8.5131 8.5151 13.2876 13.2879 14.4790 14.4801 14.7972 14.7981 15.6035 15.6068 k = 0.3905 0.4784-0.0000 ( 3294 PWs) bands (ev): -1.5501 -1.5490 -1.3533 -1.3496 -0.8903 -0.8870 -0.8546 -0.8530 -0.4828 -0.4786 1.9471 1.9491 2.4637 2.4659 2.8678 2.8697 2.9252 2.9268 3.3938 3.3942 4.3902 4.3922 4.8148 4.8218 4.9336 4.9398 5.9935 5.9980 6.1597 6.1610 6.5447 6.5474 7.1832 7.1899 7.2181 7.2229 7.7277 7.7285 8.4630 8.4654 13.2908 13.2911 14.4825 14.4835 14.8319 14.8327 15.5903 15.5931 k = 0.3857 0.4866-0.0000 ( 3294 PWs) bands (ev): -1.5052 -1.5040 -1.3115 -1.3077 -0.8668 -0.8634 -0.8340 -0.8324 -0.4911 -0.4867 1.9927 1.9948 2.4900 2.4920 2.8954 2.8973 2.9255 2.9270 3.4163 3.4166 4.2789 4.2810 4.7391 4.7464 4.8566 4.8630 5.8695 5.8741 6.0558 6.0570 6.5835 6.5861 7.2015 7.2079 7.2379 7.2425 7.7032 7.7039 8.4098 8.4126 13.2869 13.2872 14.4888 14.4897 14.8566 14.8575 15.5812 15.5835 k = 0.3810 0.4949-0.0000 ( 3302 PWs) bands (ev): -1.4589 -1.4576 -1.2687 -1.2647 -0.8442 -0.8408 -0.8148 -0.8131 -0.5025 -0.4979 2.0391 2.0413 2.5115 2.5133 2.9204 2.9224 2.9260 2.9275 3.4372 3.4376 4.1722 4.1743 4.6724 4.6799 4.7890 4.7956 5.7454 5.7502 5.9540 5.9550 6.6246 6.6273 7.2216 7.2278 7.2609 7.2653 7.6795 7.6801 8.3535 8.3567 13.2769 13.2774 14.4988 14.4996 14.8702 14.8713 15.5803 15.5820 k = 0.3762 0.5031-0.0000 ( 3306 PWs) bands (ev): -1.4114 -1.4100 -1.2249 -1.2208 -0.8229 -0.8195 -0.7973 -0.7954 -0.5174 -0.5126 2.0860 2.0882 2.5271 2.5285 2.9113 2.9129 2.9589 2.9608 3.4562 3.4565 4.0708 4.0730 4.6153 4.6230 4.7319 4.7387 5.6223 5.6273 5.8560 5.8569 6.6680 6.6707 7.2420 7.2480 7.2863 7.2904 7.6569 7.6576 8.2943 8.2979 13.2623 13.2629 14.5127 14.5134 14.8730 14.8744 15.5887 15.5899 k = 0.3714 0.5114-0.0000 ( 3306 PWs) bands (ev): -1.3627 -1.3612 -1.1804 -1.1762 -0.8032 -0.8000 -0.7820 -0.7801 -0.5359 -0.5308 2.1331 2.1353 2.5358 2.5369 2.8968 2.8984 2.9962 2.9981 3.4724 3.4727 3.9752 3.9775 4.5685 4.5764 4.6858 4.6927 5.5011 5.5062 5.7637 5.7644 6.7134 6.7161 7.2609 7.2665 7.3137 7.3175 7.6367 7.6373 8.2323 8.2362 13.2447 13.2454 14.5300 14.5307 14.8667 14.8683 15.6058 15.6066 k = 0.3667 0.5196-0.0000 ( 3308 PWs) bands (ev): -1.3131 -1.3115 -1.1355 -1.1311 -0.7857 -0.7828 -0.7697 -0.7674 -0.5579 -0.5526 2.1798 2.1821 2.5375 2.5383 2.8779 2.8795 3.0380 3.0399 3.4851 3.4854 3.8862 3.8885 4.5322 4.5401 4.6508 4.6578 5.3828 5.3881 5.6785 5.6791 6.7607 6.7633 7.2756 7.2804 7.3430 7.3466 7.6206 7.6210 8.1677 8.1719 13.2254 13.2262 14.5500 14.5508 14.8534 14.8552 15.6296 15.6302 k = 0.3619 0.5279-0.0000 ( 3312 PWs) bands (ev): -1.2627 -1.2610 -1.0904 -1.0860 -0.7709 -0.7691 -0.7609 -0.7577 -0.5832 -0.5777 2.2257 2.2279 2.5324 2.5333 2.8555 2.8572 3.0841 3.0861 3.4934 3.4936 3.8043 3.8066 4.5063 4.5143 4.6265 4.6336 5.2685 5.2741 5.6020 5.6026 6.8096 6.8122 7.2829 7.2868 7.3742 7.3776 7.6107 7.6108 8.1008 8.1053 13.2058 13.2067 14.5720 14.5730 14.8356 14.8375 15.6576 15.6583 k = 0.3571 0.5361-0.0000 ( 3310 PWs) bands (ev): -1.2117 -1.2099 -1.0458 -1.0414 -0.7621 -0.7616 -0.7546 -0.7496 -0.6109 -0.6051 2.2700 2.2722 2.5216 2.5226 2.8311 2.8329 3.1344 3.1364 3.4963 3.4964 3.7301 3.7324 4.4907 4.4986 4.6121 4.6193 5.1598 5.1656 5.5356 5.5361 6.8599 6.8626 7.2803 7.2830 7.4069 7.4102 7.6086 7.6094 8.0319 8.0367 13.1871 13.1880 14.5952 14.5963 14.8153 14.8172 15.6876 15.6883 k = 0.3524 0.5444-0.0000 ( 3310 PWs) bands (ev): -1.1604 -1.1584 -1.0026 -0.9984 -0.7651 -0.7640 -0.7468 -0.7419 -0.6389 -0.6329 2.3117 2.3139 2.5063 2.5076 2.8066 2.8085 3.1883 3.1903 3.4930 3.4931 3.6637 3.6660 4.4851 4.4930 4.6057 4.6129 5.0586 5.0646 5.4805 5.4809 6.9115 6.9141 7.2666 7.2680 7.4408 7.4439 7.6157 7.6171 7.9617 7.9666 13.1703 13.1713 14.6186 14.6198 14.7942 14.7960 15.7170 15.7178 k = 0.3476 0.5526-0.0000 ( 3310 PWs) bands (ev): -1.1091 -1.1070 -0.9630 -0.9591 -0.7783 -0.7769 -0.7406 -0.7360 -0.6644 -0.6585 2.3497 2.3518 2.4880 2.4895 2.7841 2.7862 3.2451 3.2473 3.4835 3.4836 3.6050 3.6072 4.4892 4.4970 4.6043 4.6114 4.9682 4.9745 5.4374 5.4377 6.9640 6.9666 7.2421 7.2426 7.4749 7.4778 7.6311 7.6332 7.8910 7.8961 13.1563 13.1572 14.6412 14.6426 14.7735 14.7753 15.7435 15.7443 k = 0.3429 0.5609-0.0000 ( 3310 PWs) bands (ev): -1.0585 -1.0562 -0.9323 -0.9297 -0.7990 -0.7965 -0.7364 -0.7321 -0.6856 -0.6802 2.3826 2.3848 2.4684 2.4700 2.7660 2.7682 3.3041 3.3062 3.4683 3.4685 3.5534 3.5555 4.5025 4.5102 4.6025 4.6094 4.8944 4.9009 5.4068 5.4072 7.0169 7.0194 7.2081 7.2090 7.5079 7.5105 7.6532 7.6557 7.8218 7.8268 13.1457 13.1466 14.6619 14.6634 14.7546 14.7562 15.7649 15.7656 k = 0.3381 0.5691-0.0000 ( 3310 PWs) bands (ev): -1.0100 -1.0071 -0.9251 -0.9248 -0.8141 -0.8098 -0.7319 -0.7276 -0.7036 -0.6987 2.4090 2.4114 2.4492 2.4507 2.7544 2.7566 3.3631 3.3649 3.4484 3.4485 3.5099 3.5118 4.5236 4.5313 4.5922 4.5990 4.8462 4.8529 5.3888 5.3892 7.0694 7.0719 7.1669 7.1685 7.5363 7.5382 7.6795 7.6824 7.7589 7.7633 13.1391 13.1400 14.6782 14.6799 14.7396 14.7410 15.7789 15.7795 k = 0.3333 0.5774-0.0000 ( 3306 PWs) bands (ev): -0.9760 -0.9706 -0.9456 -0.9420 -0.8156 -0.8104 -0.7230 -0.7185 -0.7175 -0.7148 2.4240 2.4276 2.4363 2.4365 2.7505 2.7528 3.4044 3.4054 3.4285 3.4293 3.4878 3.4881 4.5422 4.5501 4.5770 4.5831 4.8306 4.8373 5.3830 5.3833 7.1173 7.1204 7.1235 7.1237 7.5504 7.5509 7.7007 7.7039 7.7228 7.7235 13.1368 13.1377 14.6849 14.6867 14.7333 14.7347 15.7839 15.7843 k = 0.3333 0.5774-0.0000 ( 3306 PWs) bands (ev): -0.9760 -0.9706 -0.9456 -0.9420 -0.8156 -0.8104 -0.7230 -0.7185 -0.7175 -0.7148 2.4240 2.4276 2.4363 2.4365 2.7505 2.7528 3.4044 3.4054 3.4285 3.4293 3.4878 3.4881 4.5422 4.5501 4.5770 4.5831 4.8306 4.8373 5.3830 5.3833 7.1173 7.1204 7.1235 7.1237 7.5504 7.5509 7.7007 7.7039 7.7228 7.7235 13.1368 13.1377 14.6849 14.6867 14.7333 14.7347 15.7839 15.7843 k = 0.3286 0.5691-0.0000 ( 3314 PWs) bands (ev): -1.0163 -1.0132 -0.9155 -0.9141 -0.8200 -0.8151 -0.7363 -0.7323 -0.6979 -0.6927 2.4136 2.4160 2.4455 2.4469 2.7541 2.7563 3.3712 3.3714 3.4309 3.4335 3.5186 3.5214 4.5169 4.5245 4.6022 4.6090 4.8429 4.8496 5.3885 5.3889 7.0690 7.0718 7.1659 7.1676 7.5325 7.5352 7.6982 7.6998 7.7464 7.7489 13.1391 13.1401 14.6793 14.6810 14.7383 14.7397 15.7788 15.7794 k = 0.3238 0.5609-0.0000 ( 3310 PWs) bands (ev): -1.0809 -1.0780 -0.8889 -0.8878 -0.8349 -0.8302 -0.7444 -0.7413 -0.6658 -0.6600 2.4028 2.4049 2.4553 2.4569 2.7633 2.7655 3.3204 3.3207 3.4258 3.4285 3.5798 3.5829 4.4799 4.4874 4.6465 4.6533 4.8731 4.8797 5.4045 5.4049 7.0144 7.0177 7.1992 7.2000 7.4975 7.5007 7.7179 7.7198 7.7798 7.7825 13.1464 13.1473 14.6680 14.6695 14.7474 14.7490 15.7639 15.7649 k = 0.3190 0.5526-0.0000 ( 3310 PWs) bands (ev): -1.1541 -1.1511 -0.8888 -0.8875 -0.8583 -0.8534 -0.7340 -0.7315 -0.6296 -0.6235 2.3967 2.3985 2.4639 2.4657 2.7758 2.7779 3.2648 3.2653 3.4245 3.4271 3.6469 3.6500 4.4491 4.4567 4.6983 4.7050 4.9144 4.9209 5.4298 5.4302 6.9571 6.9608 7.2052 7.2066 7.4778 7.4797 7.7495 7.7516 7.8147 7.8174 13.1585 13.1595 14.6555 14.6569 14.7557 14.7575 15.7408 15.7423 k = 0.3143 0.5444-0.0000 ( 3310 PWs) bands (ev): -1.2333 -1.2304 -0.9148 -0.9131 -0.8903 -0.8854 -0.7052 -0.7026 -0.5926 -0.5863 2.3961 2.3977 2.4737 2.4756 2.7890 2.7910 3.2072 3.2078 3.4285 3.4311 3.7162 3.7193 4.4299 4.4374 4.7560 4.7627 4.9629 4.9693 5.4633 5.4637 6.8977 6.9017 7.1738 7.1774 7.4902 7.4911 7.7856 7.7878 7.8502 7.8529 13.1758 13.1767 14.6432 14.6444 14.7617 14.7635 15.7116 15.7134 k = 0.3095 0.5361-0.0000 ( 3306 PWs) bands (ev): -1.3175 -1.3146 -0.9549 -0.9532 -0.9316 -0.9268 -0.6683 -0.6654 -0.5566 -0.5501 2.4017 2.4030 2.4864 2.4884 2.8009 2.8028 3.1494 3.1502 3.4385 3.4410 3.7870 3.7901 4.4246 4.4319 4.8188 4.8254 5.0165 5.0229 5.5040 5.5044 6.8368 6.8411 7.1161 7.1210 7.5272 7.5286 7.8234 7.8256 7.8860 7.8886 13.1980 13.1990 14.6313 14.6324 14.7650 14.7668 15.6787 15.6807 k = 0.3048 0.5279-0.0000 ( 3294 PWs) bands (ev): -1.4058 -1.4030 -1.0039 -1.0022 -0.9810 -0.9764 -0.6297 -0.6265 -0.5226 -0.5159 2.4136 2.4146 2.5031 2.5052 2.8104 2.8122 3.0931 3.0940 3.4546 3.4570 3.8590 3.8621 4.4339 4.4409 4.8860 4.8925 5.0739 5.0801 5.5507 5.5512 6.7750 6.7796 7.0455 7.0511 7.5771 7.5790 7.8619 7.8642 7.9218 7.9242 13.2251 13.2262 14.6198 14.6208 14.7654 14.7673 15.6440 15.6462 k = 0.3000 0.5196-0.0000 ( 3300 PWs) bands (ev): -1.4977 -1.4950 -1.0600 -1.0584 -1.0373 -1.0329 -0.5923 -0.5889 -0.4914 -0.4847 2.4316 2.4323 2.5242 2.5263 2.8175 2.8191 3.0399 3.0410 3.4772 3.4796 3.9323 3.9355 4.4574 4.4641 4.9569 4.9633 5.1339 5.1400 5.6025 5.6031 6.7132 6.7181 6.9694 6.9754 7.6331 7.6353 7.9005 7.9028 7.9575 7.9598 13.2572 13.2582 14.6086 14.6095 14.7634 14.7653 15.6095 15.6118 k = 0.2952 0.5114-0.0000 ( 3302 PWs) bands (ev): -1.5926 -1.5900 -1.1222 -1.1208 -1.0997 -1.0955 -0.5577 -0.5541 -0.4638 -0.4570 2.4552 2.4556 2.5497 2.5519 2.8227 2.8242 2.9916 2.9927 3.5069 3.5091 4.0071 4.0104 4.4940 4.5003 5.0311 5.0375 5.1954 5.2014 5.6585 5.6592 6.6522 6.6574 6.8915 6.8977 7.6920 7.6944 7.9388 7.9411 7.9930 7.9952 13.2939 13.2950 14.5977 14.5985 14.7593 14.7613 15.5765 15.5788 k = 0.2905 0.5031-0.0000 ( 3308 PWs) bands (ev): -1.6900 -1.6876 -1.1899 -1.1886 -1.1675 -1.1635 -0.5268 -0.5230 -0.4403 -0.4335 2.4831 2.4835 2.5790 2.5814 2.8281 2.8294 2.9497 2.9509 3.5438 3.5458 4.0837 4.0872 4.5420 4.5478 5.1081 5.1144 5.2575 5.2633 5.7176 5.7185 6.5931 6.5985 6.8141 6.8203 7.7520 7.7545 7.9764 7.9787 8.0287 8.0307 13.3351 13.3362 14.5869 14.5876 14.7537 14.7557 15.5459 15.5482 k = 0.2857 0.4949-0.0000 ( 3304 PWs) bands (ev): -1.7896 -1.7873 -1.2624 -1.2612 -1.2402 -1.2364 -0.5006 -0.4965 -0.4214 -0.4146 2.5134 2.5141 2.6114 2.6139 2.8366 2.8377 2.9163 2.9176 3.5878 3.5897 4.1623 4.1660 4.5994 4.6048 5.1874 5.1936 5.3189 5.3245 5.7788 5.7798 6.5370 6.5428 6.7389 6.7451 7.8119 7.8145 8.0128 8.0153 8.0650 8.0669 13.3807 13.3819 14.5764 14.5770 14.7473 14.7493 15.5185 15.5208 k = 0.2810 0.4866-0.0000 ( 3300 PWs) bands (ev): -1.8909 -1.8887 -1.3392 -1.3381 -1.3171 -1.3136 -0.4796 -0.4753 -0.4076 -0.4007 2.5432 2.5442 2.6462 2.6487 2.8507 2.8516 2.8946 2.8958 3.6387 3.6405 4.2430 4.2469 4.6645 4.6694 5.2683 5.2744 5.3782 5.3836 5.8405 5.8419 6.4858 6.4919 6.6682 6.6741 7.8705 7.8731 8.0476 8.0501 8.1028 8.1046 13.4305 13.4317 14.5662 14.5667 14.7407 14.7426 15.4945 15.4967 k = 0.2762 0.4784-0.0000 ( 3300 PWs) bands (ev): -1.9936 -1.9915 -1.4197 -1.4187 -1.3978 -1.3945 -0.4646 -0.4601 -0.3992 -0.3924 2.5690 2.5701 2.6828 2.6852 2.8652 2.8662 2.8957 2.8964 3.6961 3.6978 4.3257 4.3298 4.7353 4.7400 5.3503 5.3562 5.4336 5.4388 5.9009 5.9028 6.4413 6.4478 6.6048 6.6101 7.9266 7.9291 8.0801 8.0825 8.1433 8.1450 13.4841 13.4853 14.5565 14.5570 14.7345 14.7365 15.4741 15.4762 k = 0.2714 0.4701-0.0000 ( 3300 PWs) bands (ev): -2.0973 -2.0954 -1.5034 -1.5025 -1.4817 -1.4786 -0.4561 -0.4514 -0.3964 -0.3897 2.5890 2.5902 2.7192 2.7213 2.8758 2.8767 2.9291 2.9294 3.7596 3.7611 4.4103 4.4145 4.8104 4.8148 5.4322 5.4380 5.4831 5.4879 5.9573 5.9597 6.4061 6.4130 6.5526 6.5571 7.9790 7.9813 8.1098 8.1121 8.1877 8.1893 13.5413 13.5426 14.5477 14.5481 14.7295 14.7314 15.4571 15.4591 k = 0.2667 0.4619-0.0000 ( 3300 PWs) bands (ev): -2.2018 -2.2000 -1.5898 -1.5889 -1.5682 -1.5654 -0.4544 -0.4496 -0.3995 -0.3930 2.6047 2.6059 2.7509 2.7528 2.9016 2.9021 2.9794 2.9797 3.8286 3.8301 4.4962 4.5006 4.8880 4.8922 5.5124 5.5176 5.5247 5.5295 6.0056 6.0089 6.3828 6.3903 6.5175 6.5208 8.0266 8.0287 8.1368 8.1388 8.2366 8.2381 13.6019 13.6032 14.5402 14.5405 14.7263 14.7281 15.4434 15.4453 k = 0.2619 0.4536-0.0000 ( 3296 PWs) bands (ev): -2.3067 -2.3050 -1.6784 -1.6776 -1.6571 -1.6545 -0.4598 -0.4549 -0.4086 -0.4022 2.6192 2.6206 2.7759 2.7776 2.9479 2.9480 3.0405 3.0410 3.9028 3.9041 4.5829 4.5874 4.9663 4.9703 5.5568 5.5601 5.5887 5.5942 6.0422 6.0464 6.3751 6.3830 6.5053 6.5075 8.0690 8.0707 8.1609 8.1628 8.2899 8.2915 13.6655 13.6668 14.5342 14.5345 14.7254 14.7272 15.4326 15.4344 k = 0.2571 0.4454-0.0000 ( 3296 PWs) bands (ev): -2.4119 -2.4103 -1.7689 -1.7681 -1.7477 -1.7454 -0.4724 -0.4673 -0.4235 -0.4173 2.6358 2.6373 2.7979 2.7995 3.0100 3.0103 3.1101 3.1107 3.9817 3.9830 4.6696 4.6741 5.0428 5.0469 5.5801 5.5830 5.6558 5.6611 6.0677 6.0725 6.3858 6.3940 6.5189 6.5209 8.1061 8.1075 8.1824 8.1841 8.3473 8.3489 13.7318 13.7332 14.5303 14.5305 14.7275 14.7292 15.4244 15.4260 k = 0.2524 0.4371-0.0000 ( 3296 PWs) bands (ev): -2.5170 -2.5155 -1.8607 -1.8600 -1.8398 -1.8376 -0.4920 -0.4868 -0.4444 -0.4383 2.6564 2.6580 2.8210 2.8224 3.0830 3.0837 3.1866 3.1872 4.0650 4.0661 4.7550 4.7594 5.1144 5.1185 5.5978 5.6000 5.7071 5.7128 6.0918 6.0969 6.4152 6.4236 6.5562 6.5586 8.1386 8.1396 8.2012 8.2029 8.4079 8.4095 13.8004 13.8019 14.5287 14.5290 14.7330 14.7346 15.4182 15.4197 k = 0.2476 0.4289-0.0000 ( 3286 PWs) bands (ev): -2.6219 -2.6206 -1.9535 -1.9529 -1.9330 -1.9309 -0.5182 -0.5130 -0.4709 -0.4651 2.6823 2.6839 2.8473 2.8486 3.1639 3.1648 3.2689 3.2695 4.1523 4.1534 4.8369 4.8412 5.1764 5.1808 5.6162 5.6175 5.7362 5.7436 6.1286 6.1338 6.4610 6.4693 6.6116 6.6143 8.1669 8.1676 8.2176 8.2192 8.4707 8.4723 13.8710 13.8725 14.5301 14.5304 14.7423 14.7439 15.4138 15.4153 k = 0.2429 0.4206-0.0000 ( 3286 PWs) bands (ev): -2.7265 -2.7252 -2.0471 -2.0465 -2.0268 -2.0250 -0.5506 -0.5454 -0.5030 -0.4973 2.7138 2.7154 2.8776 2.8788 3.2508 3.2520 3.3563 3.3569 4.2432 4.2443 4.9123 4.9164 5.2242 5.2288 5.6420 5.6428 5.7467 5.7564 6.1849 6.1906 6.5196 6.5279 6.6792 6.6821 8.1916 8.1922 8.2314 8.2331 8.5349 8.5367 13.9432 13.9447 14.5346 14.5350 14.7560 14.7574 15.4108 15.4121 k = 0.2381 0.4124-0.0000 ( 3290 PWs) bands (ev): -2.8304 -2.8292 -2.1412 -2.1406 -2.1211 -2.1194 -0.5886 -0.5834 -0.5404 -0.5348 2.7510 2.7524 2.9119 2.9130 3.3427 3.3442 3.4481 3.4488 4.3376 4.3386 4.9763 4.9801 5.2564 5.2607 5.6740 5.6773 5.7554 5.7671 6.2579 6.2641 6.5882 6.5965 6.7547 6.7577 8.2132 8.2139 8.2428 8.2446 8.6000 8.6018 14.0164 14.0180 14.5425 14.5430 14.7742 14.7755 15.4088 15.4100 k = 0.2333 0.4041-0.0000 ( 3288 PWs) bands (ev): -2.9336 -2.9325 -2.2353 -2.2348 -2.2156 -2.2140 -0.6317 -0.6266 -0.5825 -0.5771 2.7933 2.7946 2.9496 2.9506 3.4390 3.4407 3.5441 3.5448 4.4350 4.4360 5.0226 5.0262 5.2767 5.2804 5.6997 5.7056 5.7911 5.8018 6.3422 6.3487 6.6645 6.6727 6.8353 6.8385 8.2321 8.2331 8.2518 8.2538 8.6655 8.6673 14.0902 14.0919 14.5543 14.5549 14.7973 14.7986 15.4075 15.4087 k = 0.2286 0.3959-0.0000 ( 3282 PWs) bands (ev): -3.0359 -3.0349 -2.3294 -2.3289 -2.3099 -2.3085 -0.6793 -0.6742 -0.6291 -0.6238 2.8401 2.8413 2.9900 2.9910 3.5392 3.5411 3.6437 3.6444 4.5350 4.5361 5.0465 5.0506 5.2900 5.2930 5.7213 5.7284 5.8592 5.8674 6.4334 6.4401 6.7465 6.7547 6.9193 6.9225 8.2486 8.2499 8.2587 8.2608 8.7310 8.7328 14.1641 14.1659 14.5699 14.5707 14.8256 14.8268 15.4068 15.4079 k = 0.2238 0.3876-0.0000 ( 3290 PWs) bands (ev): -3.1372 -3.1362 -2.4232 -2.4227 -2.4040 -2.4027 -0.7307 -0.7257 -0.6796 -0.6744 2.8905 2.8914 3.0322 3.0332 3.6428 3.6449 3.7467 3.7474 4.6371 4.6384 5.0501 5.0550 5.2969 5.2999 5.7567 5.7643 5.9434 5.9501 6.5290 6.5358 6.8329 6.8411 7.0053 7.0087 8.2614 8.2642 8.2644 8.2673 8.7961 8.7980 14.2376 14.2394 14.5897 14.5906 14.8593 14.8604 15.4065 15.4076 k = 0.2190 0.3794-0.0000 ( 3290 PWs) bands (ev): -3.2374 -3.2365 -2.5166 -2.5161 -2.4976 -2.4963 -0.7855 -0.7806 -0.7335 -0.7285 2.9433 2.9441 3.0751 3.0761 3.7496 3.7519 3.8528 3.8536 4.7403 4.7419 5.0408 5.0463 5.2968 5.3005 5.8120 5.8197 6.0360 6.0417 6.6273 6.6343 6.9227 6.9309 7.0926 7.0961 8.2650 8.2677 8.2772 8.2795 8.8607 8.8626 14.3100 14.3120 14.6137 14.6147 14.8984 14.8995 15.4066 15.4077 k = 0.2143 0.3712-0.0000 ( 3282 PWs) bands (ev): -3.3363 -3.3355 -2.6092 -2.6087 -2.5904 -2.5893 -0.8430 -0.8382 -0.7903 -0.7854 2.9975 2.9981 3.1176 3.1186 3.8593 3.8617 3.9618 3.9626 4.8421 4.8442 5.0274 5.0332 5.2929 5.2974 5.8847 5.8923 6.1334 6.1386 6.7275 6.7345 7.0151 7.0232 7.1804 7.1840 8.2656 8.2686 8.2894 8.2920 8.9245 8.9264 14.3810 14.3830 14.6420 14.6431 14.9430 14.9441 15.4070 15.4082 k = 0.2095 0.3629-0.0000 ( 3274 PWs) bands (ev): -3.4339 -3.4331 -2.7010 -2.7006 -2.6825 -2.6814 -0.9028 -0.8981 -0.8495 -0.8448 3.0515 3.0519 3.1582 3.1594 3.9716 3.9742 4.0734 4.0743 4.9312 4.9352 5.0245 5.0296 5.2910 5.2961 5.9701 5.9775 6.2340 6.2388 6.8287 6.8357 7.1094 7.1175 7.2680 7.2719 8.2645 8.2677 8.3011 8.3041 8.9873 8.9892 14.4501 14.4523 14.6745 14.6758 14.9929 14.9939 15.4080 15.4091 k = 0.2048 0.3547-0.0000 ( 3268 PWs) bands (ev): -3.5300 -3.5293 -2.7919 -2.7914 -2.7736 -2.7726 -0.9645 -0.9600 -0.9108 -0.9061 3.1039 3.1040 3.1958 3.1971 4.0862 4.0890 4.1874 4.1883 4.9648 4.9715 5.0750 5.0773 5.2999 5.3050 6.0642 6.0714 6.3366 6.3411 6.9304 6.9373 7.2051 7.2132 7.3550 7.3590 8.2618 8.2654 8.3130 8.3164 9.0490 9.0508 14.5170 14.5193 14.7113 14.7127 15.0477 15.0486 15.4094 15.4107 k = 0.2000 0.3464-0.0000 ( 3272 PWs) bands (ev): -3.6247 -3.6240 -2.8816 -2.8812 -2.8635 -2.8626 -1.0277 -1.0232 -0.9735 -0.9690 3.1529 3.1531 3.2291 3.2304 4.2030 4.2058 4.3036 4.3046 4.9643 4.9716 5.1481 5.1514 5.3336 5.3377 6.1640 6.1712 6.4403 6.4445 7.0318 7.0387 7.3018 7.3098 7.4406 7.4449 8.2578 8.2618 8.3258 8.3296 9.1093 9.1112 14.5818 14.5842 14.7520 14.7537 15.1067 15.1076 15.4118 15.4131 k = 0.1952 0.3382-0.0000 ( 3268 PWs) bands (ev): -3.7177 -3.7171 -2.9702 -2.9697 -2.9523 -2.9514 -1.0919 -1.0876 -1.0375 -1.0331 3.1970 3.1973 3.2569 3.2582 4.3216 4.3245 4.4218 4.4228 4.9654 4.9730 5.2001 5.2055 5.4051 5.4076 6.2677 6.2748 6.5446 6.5486 7.1325 7.1393 7.3990 7.4070 7.5244 7.5291 8.2528 8.2572 8.3405 8.3446 9.1683 9.1701 14.6444 14.6469 14.7966 14.7984 15.1691 15.1700 15.4155 15.4169 k = 0.1905 0.3299-0.0000 ( 3266 PWs) bands (ev): -3.8091 -3.8085 -3.0574 -3.0570 -3.0397 -3.0389 -1.1569 -1.1527 -1.1023 -1.0980 3.2346 3.2351 3.2782 3.2797 4.4417 4.4448 4.5417 4.5428 4.9751 4.9827 5.2374 5.2440 5.5048 5.5066 6.3741 6.3812 6.6490 6.6528 7.2315 7.2381 7.4963 7.5042 7.6060 7.6110 8.2473 8.2520 8.3580 8.3625 9.2257 9.2275 14.7052 14.7079 14.8446 14.8465 15.2336 15.2344 15.4213 15.4228 k = 0.1857 0.3217-0.0000 ( 3268 PWs) bands (ev): -3.8988 -3.8983 -3.1432 -3.1428 -3.1256 -3.1249 -1.2223 -1.2182 -1.1675 -1.1634 3.2642 3.2649 3.2928 3.2942 4.5632 4.5663 4.6632 4.6644 4.9959 5.0036 5.2746 5.2819 5.6180 5.6196 6.4823 6.4892 6.7529 6.7566 7.3279 7.3342 7.5932 7.6010 7.6852 7.6905 8.2415 8.2467 8.3797 8.3845 9.2815 9.2833 14.7646 14.7673 14.8955 14.8975 15.2976 15.2984 15.4311 15.4328 k = 0.1810 0.3134-0.0000 ( 3264 PWs) bands (ev): -3.9866 -3.9862 -3.2275 -3.2271 -3.2101 -3.2094 -1.2878 -1.2839 -1.2330 -1.2291 3.2843 3.2850 3.3009 3.3024 4.6855 4.6886 4.7859 4.7873 5.0293 5.0369 5.3187 5.3263 5.7379 5.7394 6.5915 6.5983 6.8559 6.8595 7.4203 7.4262 7.6889 7.6966 7.7624 7.7683 8.2359 8.2416 8.4068 8.4118 9.3355 9.3373 14.8230 14.8257 14.9488 14.9509 15.3554 15.3564 15.4500 15.4520 k = 0.1762 0.3052-0.0000 ( 3268 PWs) bands (ev): -4.0727 -4.0723 -3.3102 -3.3098 -3.2930 -3.2924 -1.3533 -1.3495 -1.2985 -1.2946 3.2916 3.2922 3.3055 3.3069 4.8083 4.8113 4.9098 4.9112 5.0762 5.0835 5.3722 5.3800 5.8618 5.8633 6.7012 6.7080 6.9576 6.9610 7.5068 7.5119 7.7823 7.7895 7.8395 7.8459 8.2312 8.2373 8.4403 8.4455 9.3877 9.3894 14.8807 14.8834 15.0040 15.0062 15.3965 15.3975 15.4887 15.4906 k = 0.1714 0.2969-0.0000 ( 3268 PWs) bands (ev): -4.1569 -4.1565 -3.3913 -3.3909 -3.3742 -3.3736 -1.4185 -1.4148 -1.3637 -1.3600 3.2861 3.2867 3.3070 3.3081 4.9309 4.9337 5.0344 5.0360 5.1369 5.1438 5.4358 5.4437 5.9884 5.9901 6.8111 6.8178 7.0573 7.0607 7.5848 7.5890 7.8718 7.8776 7.9198 7.9263 8.2280 8.2347 8.4811 8.4862 9.4379 9.4396 14.9380 14.9407 15.0606 15.0627 15.4208 15.4219 15.5465 15.5482 k = 0.1667 0.2887-0.0000 ( 3268 PWs) bands (ev): -4.2391 -4.2388 -3.4706 -3.4702 -3.4537 -3.4531 -1.4832 -1.4796 -1.4284 -1.4248 3.2723 3.2729 3.3018 3.3028 5.0525 5.0551 5.1595 5.1613 5.2114 5.2176 5.5093 5.5171 6.1173 6.1189 6.9207 6.9272 7.1545 7.1579 7.6520 7.6552 7.9567 7.9611 8.0053 8.0114 8.2275 8.2348 8.5293 8.5341 9.4862 9.4879 14.9950 14.9976 15.1179 15.1201 15.4399 15.4411 15.6117 15.6134 k = 0.1619 0.2804-0.0000 ( 3264 PWs) bands (ev): -4.3194 -4.3191 -3.5482 -3.5478 -3.5314 -3.5309 -1.5472 -1.5437 -1.4925 -1.4890 3.2523 3.2528 3.2896 3.2904 5.1723 5.1746 5.2846 5.2868 5.2997 5.3048 5.5919 5.5997 6.2478 6.2495 7.0296 7.0359 7.2486 7.2521 7.7070 7.7090 8.0396 8.0438 8.0930 8.0986 8.2317 8.2396 8.5842 8.5888 9.5325 9.5342 15.0518 15.0543 15.1755 15.1777 15.4597 15.4610 15.6786 15.6803 k = 0.1571 0.2722-0.0000 ( 3256 PWs) bands (ev): -4.3976 -4.3973 -3.6239 -3.6235 -3.6072 -3.6067 -1.6104 -1.6070 -1.5558 -1.5524 3.2273 3.2277 3.2710 3.2717 5.2897 5.2922 5.3992 5.4034 5.4112 5.4126 5.6830 5.6907 6.3797 6.3815 7.1374 7.1435 7.3388 7.3424 7.7499 7.7509 8.1233 8.1282 8.1755 8.1797 8.2476 8.2554 8.6450 8.6492 9.5768 9.5784 15.1084 15.1108 15.2327 15.2347 15.4829 15.4842 15.7450 15.7468 k = 0.1524 0.2639-0.0000 ( 3266 PWs) bands (ev): -4.4738 -4.4736 -3.6977 -3.6973 -3.6812 -3.6807 -1.6726 -1.6694 -1.6181 -1.6148 3.1981 3.1985 3.2471 3.2476 5.4058 5.4088 5.5096 5.5130 5.5355 5.5374 5.7814 5.7890 6.5127 6.5146 7.2437 7.2495 7.4244 7.4281 7.7827 7.7832 8.2044 8.2095 8.2290 8.2381 8.2998 8.3068 8.7103 8.7141 9.6190 9.6206 15.1648 15.1671 15.2884 15.2902 15.5110 15.5122 15.8097 15.8117 k = 0.1476 0.2557-0.0000 ( 3262 PWs) bands (ev): -4.5480 -4.5477 -3.7696 -3.7692 -3.7532 -3.7528 -1.7337 -1.7306 -1.6793 -1.6761 3.1657 3.1659 3.2187 3.2191 5.5225 5.5260 5.6261 5.6291 5.6592 5.6614 5.8862 5.8937 6.6466 6.6485 7.3479 7.3532 7.5048 7.5089 7.8076 7.8086 8.2450 8.2496 8.3048 8.3110 8.3813 8.3882 8.7789 8.7823 9.6591 9.6607 15.2212 15.2232 15.3418 15.3432 15.5456 15.5466 15.8724 15.8746 k = 0.1429 0.2474-0.0000 ( 3262 PWs) bands (ev): -4.6200 -4.6198 -3.8396 -3.8392 -3.8233 -3.8228 -1.7936 -1.7906 -1.7393 -1.7362 3.1306 3.1308 3.1869 3.1872 5.6414 5.6451 5.7460 5.7488 5.7816 5.7840 5.9965 6.0039 6.7811 6.7830 7.4489 7.4534 7.5801 7.5847 7.8275 7.8293 8.2720 8.2788 8.3935 8.3997 8.4676 8.4744 8.8496 8.8528 9.6972 9.6987 15.2776 15.2795 15.3921 15.3930 15.5875 15.5882 15.9326 15.9350 k = 0.1381 0.2392-0.0000 ( 3256 PWs) bands (ev): -4.6899 -4.6897 -3.9075 -3.9071 -3.8913 -3.8909 -1.8522 -1.8493 -1.7980 -1.7950 3.0936 3.0938 3.1525 3.1526 5.7631 5.7667 5.8672 5.8701 5.9019 5.9046 6.1114 6.1187 6.9159 6.9178 7.5447 7.5480 7.6514 7.6571 7.8451 7.8476 8.3055 8.3131 8.4833 8.4896 8.5537 8.5602 8.9215 8.9244 9.7332 9.7347 15.3342 15.3359 15.4392 15.4398 15.6368 15.6374 15.9900 15.9927 k = 0.1333 0.2309-0.0000 ( 3252 PWs) bands (ev): -4.7575 -4.7574 -3.9733 -3.9730 -3.9573 -3.9569 -1.9094 -1.9066 -1.8552 -1.8524 3.0552 3.0555 3.1161 3.1162 5.8872 5.8904 5.9887 5.9914 6.0194 6.0223 6.2302 6.2375 7.0507 7.0526 7.6311 7.6327 7.7232 7.7303 7.8622 7.8654 8.3471 8.3549 8.5726 8.5791 8.6384 8.6447 8.9938 8.9965 9.7672 9.7686 15.3910 15.3926 15.4840 15.4846 15.6925 15.6934 16.0445 16.0474 k = 0.1286 0.2227-0.0000 ( 3260 PWs) bands (ev): -4.8231 -4.8229 -4.0371 -4.0368 -4.0212 -4.0208 -1.9651 -1.9624 -1.9110 -1.9083 3.0160 3.0163 3.0783 3.0785 6.0127 6.0152 6.1098 6.1122 6.1332 6.1364 6.3523 6.3595 7.1851 7.1871 7.7027 7.7033 7.8011 7.8090 7.8810 7.8848 8.3968 8.4046 8.6609 8.6674 8.7211 8.7271 9.0658 9.0684 9.7992 9.8006 15.4484 15.4500 15.5279 15.5290 15.7532 15.7545 16.0959 16.0990 k = 0.1238 0.2144-0.0000 ( 3268 PWs) bands (ev): -4.8864 -4.8862 -4.0988 -4.0985 -4.0829 -4.0826 -2.0193 -2.0167 -1.9653 -1.9627 2.9763 2.9767 3.0397 3.0400 6.1377 6.1392 6.2305 6.2319 6.2432 6.2462 6.4773 6.4844 7.3188 7.3207 7.7603 7.7616 7.8840 7.8887 7.9058 7.9114 8.4538 8.4613 8.7475 8.7540 8.8015 8.8073 9.1371 9.1396 9.8293 9.8307 15.5063 15.5080 15.5726 15.5741 15.8177 15.8192 16.1441 16.1474 k = 0.1190 0.2062-0.0000 ( 3268 PWs) bands (ev): -4.9474 -4.9473 -4.1584 -4.1580 -4.1426 -4.1422 -2.0718 -2.0693 -2.0179 -2.0154 2.9365 2.9369 3.0008 3.0011 6.2585 6.2593 6.3426 6.3465 6.3552 6.3584 6.6047 6.6117 7.4511 7.4529 7.8108 7.8131 7.9257 7.9301 7.9767 7.9860 8.5168 8.5240 8.8321 8.8385 8.8796 8.8851 9.2072 9.2097 9.8576 9.8589 15.5649 15.5669 15.6193 15.6211 15.8846 15.8864 16.1891 16.1924 k = 0.1143 0.1979-0.0000 ( 3264 PWs) bands (ev): -5.0062 -5.0061 -4.2157 -4.2154 -4.2000 -4.1997 -2.1226 -2.1202 -2.0688 -2.0664 2.8969 2.8974 2.9619 2.9622 6.3700 6.3724 6.4395 6.4442 6.4797 6.4836 6.7342 6.7411 7.5813 7.5829 7.8597 7.8631 7.9584 7.9635 8.0641 8.0729 8.5844 8.5912 8.9142 8.9205 8.9551 8.9603 9.2758 9.2784 9.8840 9.8853 15.6241 15.6263 15.6689 15.6711 15.9527 15.9548 16.2309 16.2342 k = 0.1095 0.1897-0.0000 ( 3264 PWs) bands (ev): -5.0627 -5.0627 -4.2709 -4.2706 -4.2553 -4.2549 -2.1716 -2.1693 -2.1179 -2.1156 2.8578 2.8583 2.9232 2.9236 6.4705 6.4742 6.5275 6.5324 6.6102 6.6146 6.8655 6.8724 7.7078 7.7091 7.9116 7.9161 7.9980 8.0035 8.1504 8.1588 8.6554 8.6617 8.9936 8.9997 9.0278 9.0327 9.3427 9.3453 9.9087 9.9100 15.6834 15.6861 15.7224 15.7250 16.0209 16.0233 16.2697 16.2729 k = 0.1048 0.1815-0.0000 ( 3264 PWs) bands (ev): -5.1170 -5.1169 -4.3239 -4.3236 -4.3083 -4.3080 -2.2189 -2.2167 -2.1653 -2.1631 2.8194 2.8200 2.8852 2.8856 6.5592 6.5637 6.6062 6.6113 6.7452 6.7498 6.9982 7.0050 7.8277 7.8286 7.9712 7.9770 8.0460 8.0517 8.2345 8.2425 8.7287 8.7347 9.0699 9.0759 9.0977 9.1022 9.4076 9.4104 9.9318 9.9330 15.7426 15.7457 15.7802 15.7833 16.0875 16.0902 16.3064 16.3092 k = 0.1000 0.1732-0.0000 ( 3260 PWs) bands (ev): -5.1689 -5.1688 -4.3746 -4.3743 -4.3591 -4.3588 -2.2643 -2.2622 -2.2107 -2.2087 2.7819 2.7825 2.8479 2.8483 6.6362 6.6412 6.6752 6.6804 6.8831 6.8878 7.1319 7.1385 7.9353 7.9358 8.0451 8.0516 8.1033 8.1093 8.3159 8.3237 8.8038 8.8095 9.1428 9.1487 9.1647 9.1687 9.4705 9.4734 9.9533 9.9545 15.8018 15.8052 15.8425 15.8460 16.1497 16.1530 16.3427 16.3448 k = 0.0952 0.1650-0.0000 ( 3258 PWs) bands (ev): -5.2185 -5.2184 -4.4231 -4.4228 -4.4077 -4.4074 -2.3078 -2.3058 -2.2543 -2.2524 2.7454 2.7460 2.8115 2.8120 6.7020 6.7071 6.7342 6.7395 7.0227 7.0273 7.2661 7.2726 8.0266 8.0271 8.1358 8.1416 8.1722 8.1784 8.3944 8.4019 8.8801 8.8855 9.2121 9.2179 9.2288 9.2323 9.5311 9.5342 9.9733 9.9745 15.8610 15.8646 15.9086 15.9125 16.2032 16.2072 16.3822 16.3833 k = 0.0905 0.1567-0.0000 ( 3258 PWs) bands (ev): -5.2657 -5.2657 -4.4694 -4.4691 -4.4540 -4.4537 -2.3494 -2.3475 -2.2960 -2.2941 2.7101 2.7107 2.7763 2.7768 6.7569 6.7620 6.7837 6.7888 7.1629 7.1674 7.4004 7.4066 8.1080 8.1094 8.2271 8.2324 8.2605 8.2669 8.4699 8.4772 8.9575 8.9627 9.2775 9.2831 9.2901 9.2929 9.5894 9.5927 9.9920 9.9931 15.9205 15.9241 15.9778 15.9820 16.2430 16.2477 16.4287 16.4292 k = 0.0857 0.1485-0.0000 ( 3266 PWs) bands (ev): -5.3106 -5.3106 -4.5133 -4.5130 -4.4979 -4.4977 -2.3890 -2.3872 -2.3357 -2.3340 2.6761 2.6767 2.7424 2.7429 6.8017 6.8067 6.8242 6.8291 7.3031 7.3074 7.5341 7.5401 8.1879 8.1899 8.3122 8.3176 8.3648 8.3708 8.5424 8.5495 9.0360 9.0409 9.3385 9.3440 9.3485 9.3508 9.6453 9.6488 10.0094 10.0105 15.9795 15.9832 16.0494 16.0538 16.2668 16.2720 16.4836 16.4847 k = 0.0810 0.1402-0.0000 ( 3254 PWs) bands (ev): -5.3531 -5.3531 -4.5549 -4.5547 -4.5396 -4.5394 -2.4266 -2.4250 -2.3734 -2.3718 2.6436 2.6441 2.7098 2.7103 6.8376 6.8424 6.8566 6.8614 7.4425 7.4467 7.6667 7.6726 8.2694 8.2715 8.3998 8.4052 8.4707 8.4764 8.6123 8.6190 9.1154 9.1200 9.3952 9.4004 9.4040 9.4063 9.6986 9.7023 10.0256 10.0266 16.0370 16.0405 16.1226 16.1272 16.2771 16.2827 16.5450 16.5466 k = 0.0762 0.1320-0.0000 ( 3258 PWs) bands (ev): -5.3933 -5.3932 -4.5943 -4.5940 -4.5790 -4.5788 -2.4623 -2.4607 -2.4091 -2.4075 2.6125 2.6130 2.6787 2.6792 6.8657 6.8702 6.8821 6.8865 7.5806 7.5846 7.7977 7.8033 8.3521 8.3542 8.4910 8.4962 8.5731 8.5785 8.6801 8.6861 9.1957 9.2001 9.4478 9.4524 9.4563 9.4587 9.7493 9.7532 10.0407 10.0417 16.0903 16.0934 16.1948 16.1993 16.2795 16.2865 16.6090 16.6108 k = 0.0714 0.1237-0.0000 ( 3250 PWs) bands (ev): -5.4310 -5.4310 -4.6313 -4.6310 -4.6160 -4.6158 -2.4958 -2.4943 -2.4427 -2.4413 2.5829 2.5835 2.6491 2.6496 6.8873 6.8914 6.9016 6.9058 7.7166 7.7205 7.9264 7.9317 8.4348 8.4368 8.5846 8.5895 8.6699 8.6747 8.7473 8.7524 9.2766 9.2808 9.4970 9.5009 9.5050 9.5074 9.7973 9.8013 10.0547 10.0557 16.1347 16.1366 16.2462 16.2505 16.2985 16.3084 16.6723 16.6742 k = 0.0667 0.1155-0.0000 ( 3244 PWs) bands (ev): -5.4664 -5.4664 -4.6659 -4.6657 -4.6507 -4.6505 -2.5273 -2.5259 -2.4743 -2.4729 2.5551 2.5556 2.6212 2.6217 6.9034 6.9073 6.9164 6.9202 7.8501 7.8537 8.0521 8.0572 8.5159 8.5176 8.6784 8.6830 8.7583 8.7619 8.8176 8.8209 9.3573 9.3613 9.5435 9.5467 9.5496 9.5518 9.8425 9.8466 10.0679 10.0688 16.1586 16.1590 16.2581 16.2625 16.3657 16.3741 16.7318 16.7338 k = 0.0619 0.1072-0.0000 ( 3240 PWs) bands (ev): -5.4993 -5.4993 -4.6982 -4.6980 -4.6831 -4.6829 -2.5567 -2.5554 -2.5037 -2.5025 2.5289 2.5294 2.5950 2.5955 6.9153 6.9187 6.9271 6.9306 7.9802 7.9837 8.1742 8.1789 8.5935 8.5950 8.7683 8.7726 8.8366 8.8393 8.8943 8.8968 9.4365 9.4401 9.5879 9.5899 9.5908 9.5926 9.8846 9.8889 10.0802 10.0810 16.1502 16.1515 16.2744 16.2795 16.4426 16.4506 16.7847 16.7866 k = 0.0571 0.0990-0.0000 ( 3244 PWs) bands (ev): -5.5299 -5.5299 -4.7282 -4.7280 -4.7131 -4.7129 -2.5840 -2.5828 -2.5311 -2.5299 2.5045 2.5050 2.5706 2.5710 6.9236 6.9268 6.9347 6.9379 8.1063 8.1096 8.2919 8.2963 8.6663 8.6675 8.8459 8.8505 8.9131 8.9161 8.9757 8.9790 9.5110 9.5143 9.6252 9.6270 9.6344 9.6366 9.9237 9.9280 10.0917 10.0925 16.1202 16.1216 16.2941 16.2987 16.5203 16.5282 16.8277 16.8295 k = 0.0524 0.0907-0.0000 ( 3240 PWs) bands (ev): -5.5580 -5.5580 -4.7558 -4.7556 -4.7407 -4.7405 -2.6092 -2.6081 -2.5563 -2.5552 2.4819 2.4823 2.5479 2.5483 6.9293 6.9321 6.9399 6.9427 8.2277 8.2308 8.4043 8.4083 8.7331 8.7342 8.9062 8.9112 8.9970 9.0006 9.0582 9.0618 9.5758 9.5786 9.6566 9.6582 9.6845 9.6869 9.9594 9.9638 10.1026 10.1032 16.0788 16.0802 16.3069 16.3108 16.5965 16.6045 16.8582 16.8599 k = 0.0476 0.0825-0.0000 ( 3242 PWs) bands (ev): -5.5837 -5.5837 -4.7810 -4.7808 -4.7659 -4.7658 -2.6322 -2.6312 -2.5794 -2.5784 2.4612 2.4616 2.5271 2.5275 6.9329 6.9355 6.9431 6.9456 8.3435 8.3464 8.5104 8.5140 8.7935 8.7946 8.9547 8.9595 9.0848 9.0884 9.1396 9.1431 9.6257 9.6283 9.6835 9.6849 9.7431 9.7462 9.9917 9.9961 10.1128 10.1134 16.0307 16.0320 16.3089 16.3120 16.6695 16.6773 16.8750 16.8765 k = 0.0429 0.0742-0.0000 ( 3240 PWs) bands (ev): -5.6070 -5.6070 -4.8038 -4.8037 -4.7888 -4.7886 -2.6531 -2.6522 -2.6002 -2.5994 2.4423 2.4427 2.5082 2.5085 6.9351 6.9373 6.9449 6.9472 8.4530 8.4556 8.6092 8.6123 8.8477 8.8488 8.9957 9.0001 9.1716 9.1750 9.2186 9.2218 9.6620 9.6644 9.7059 9.7071 9.8082 9.8118 10.0203 10.0248 10.1225 10.1229 15.9787 15.9800 16.2999 16.3023 16.7370 16.7444 16.8787 16.8801 k = 0.0381 0.0660-0.0000 ( 3242 PWs) bands (ev): -5.6279 -5.6279 -4.8242 -4.8241 -4.8093 -4.8091 -2.6717 -2.6710 -2.6190 -2.6182 2.4254 2.4257 2.4912 2.4915 6.9361 6.9380 6.9457 6.9477 8.5551 8.5575 8.6993 8.7018 8.8964 8.8977 9.0311 9.0349 9.2548 9.2579 9.2942 9.2970 9.6889 9.6910 9.7238 9.7249 9.8744 9.8783 10.0452 10.0498 10.1317 10.1321 15.9250 15.9262 16.2816 16.2833 16.7960 16.8023 16.8717 16.8728 k = 0.0333 0.0577-0.0000 ( 3234 PWs) bands (ev): -5.6463 -5.6463 -4.8423 -4.8422 -4.8273 -4.8272 -2.6883 -2.6876 -2.6355 -2.6348 2.4104 2.4107 2.4761 2.4764 6.9363 6.9380 6.9458 6.9475 8.6491 8.6513 8.7790 8.7808 8.9409 8.9424 9.0613 9.0646 9.3332 9.3359 9.3654 9.3678 9.7090 9.7108 9.7374 9.7383 9.9376 9.9418 10.0662 10.0711 10.1406 10.1408 15.8716 15.8729 16.2565 16.2576 16.8427 16.8452 16.8574 16.8590 k = 0.0286 0.0495-0.0000 ( 3228 PWs) bands (ev): -5.6622 -5.6622 -4.8579 -4.8578 -4.8430 -4.8429 -2.7026 -2.7020 -2.6499 -2.6493 2.3973 2.3976 2.4630 2.4632 6.9360 6.9375 6.9455 6.9469 8.7339 8.7358 8.8462 8.8474 8.9827 8.9845 9.0866 9.0894 9.4056 9.4080 9.4315 9.4335 9.7235 9.7250 9.7464 9.7473 9.9952 10.0000 10.0834 10.0887 10.1490 10.1492 15.8207 15.8218 16.2277 16.2284 16.8349 16.8371 16.8736 16.8777 k = 0.0238 0.0412-0.0000 ( 3224 PWs) bands (ev): -5.6757 -5.6757 -4.8712 -4.8711 -4.8562 -4.8562 -2.7147 -2.7142 -2.6620 -2.6615 2.3863 2.3865 2.4519 2.4521 6.9355 6.9367 6.9449 6.9460 8.8086 8.8102 8.8993 8.8999 9.0232 9.0251 9.1072 9.1095 9.4713 9.4734 9.4917 9.4932 9.7327 9.7341 9.7510 9.7517 10.0452 10.0512 10.0970 10.1036 10.1569 10.1570 15.7740 15.7750 16.1979 16.1984 16.8129 16.8146 16.8873 16.8892 k = 0.0190 0.0330-0.0000 ( 3223 PWs) bands (ev): -5.6868 -5.6868 -4.8820 -4.8820 -4.8671 -4.8670 -2.7246 -2.7242 -2.6719 -2.6715 2.3772 2.3774 2.4428 2.4429 6.9349 6.9358 6.9442 6.9451 8.8720 8.8734 8.9383 8.9386 9.0617 9.0635 9.1234 9.1251 9.5297 9.5315 9.5452 9.5464 9.7369 9.7380 9.7510 9.7517 10.0841 10.0933 10.1084 10.1180 10.1639 10.1641 15.7333 15.7341 16.1700 16.1702 16.7911 16.7925 16.8875 16.8881 k = 0.0143 0.0247-0.0000 ( 3217 PWs) bands (ev): -5.6954 -5.6954 -4.8905 -4.8904 -4.8755 -4.8755 -2.7323 -2.7320 -2.6796 -2.6794 2.3701 2.3703 2.4357 2.4358 6.9343 6.9350 6.9435 6.9442 8.9231 8.9242 8.9657 8.9659 9.0954 9.0969 9.1353 9.1366 9.5804 9.5818 9.5916 9.5925 9.7360 9.7369 9.7465 9.7470 10.1061 10.1121 10.1314 10.1377 10.1698 10.1701 15.7000 15.7007 16.1460 16.1461 16.7719 16.7730 16.8805 16.8809 k = 0.0095 0.0165-0.0000 ( 3219 PWs) bands (ev): -5.7015 -5.7015 -4.8965 -4.8965 -4.8816 -4.8815 -2.7378 -2.7376 -2.6852 -2.6850 2.3651 2.3652 2.4306 2.4307 6.9338 6.9343 6.9431 6.9435 8.9601 8.9609 8.9845 8.9847 9.1208 9.1218 9.1441 9.1448 9.6225 9.6235 9.6307 9.6313 9.7297 9.7305 9.7377 9.7381 10.1153 10.1175 10.1555 10.1580 10.1747 10.1749 15.6754 15.6758 16.1276 16.1276 16.7570 16.7578 16.8719 16.8724 k = 0.0048 0.0082-0.0000 ( 3211 PWs) bands (ev): -5.7052 -5.7052 -4.9001 -4.9001 -4.8852 -4.8852 -2.7411 -2.7410 -2.6884 -2.6883 2.3621 2.3621 2.4276 2.4276 6.9336 6.9338 6.9428 6.9430 8.9810 8.9814 8.9976 8.9976 9.1348 9.1352 9.1511 9.1512 9.6537 9.6543 9.6623 9.6625 9.7183 9.7187 9.7267 9.7269 10.1194 10.1202 10.1693 10.1703 10.1790 10.1791 15.6603 15.6605 16.1161 16.1161 16.7477 16.7481 16.8657 16.8659 k = 0.0000 0.0000 0.0000 ( 3217 PWs) bands (ev): -5.7064 -5.7064 -4.9013 -4.9013 -4.8864 -4.8864 -2.7421 -2.7421 -2.6895 -2.6895 2.3611 2.3611 2.4266 2.4266 6.9336 6.9336 6.9428 6.9428 8.9871 8.9871 9.0029 9.0029 9.1386 9.1386 9.1543 9.1543 9.6669 9.6669 9.6794 9.6794 9.7081 9.7081 9.7205 9.7205 10.1208 10.1208 10.1731 10.1731 10.1816 10.1816 15.6553 15.6553 16.1121 16.1121 16.7446 16.7446 16.8635 16.8635 k = 0.0000 0.0000 0.0000 ( 3217 PWs) bands (ev): -5.7064 -5.7064 -4.9013 -4.9013 -4.8864 -4.8864 -2.7421 -2.7421 -2.6895 -2.6895 2.3611 2.3611 2.4266 2.4266 6.9336 6.9336 6.9428 6.9428 8.9871 8.9871 9.0029 9.0029 9.1386 9.1386 9.1543 9.1543 9.6669 9.6669 9.6794 9.6794 9.7081 9.7081 9.7205 9.7205 10.1208 10.1208 10.1731 10.1731 10.1816 10.1816 15.6553 15.6553 16.1121 16.1121 16.7446 16.7446 16.8635 16.8635 k = 0.0000 0.0000 0.0094 ( 3211 PWs) bands (ev): -5.7053 -5.7053 -4.9542 -4.9542 -4.8313 -4.8313 -2.8136 -2.8136 -2.6194 -2.6194 2.2497 2.2497 2.5430 2.5430 6.7546 6.7546 7.1206 7.1206 8.9863 8.9863 9.0021 9.0021 9.1404 9.1404 9.1560 9.1560 9.6525 9.6525 9.6652 9.6652 9.7224 9.7224 9.7347 9.7347 10.1141 10.1141 10.1722 10.1722 10.1807 10.1807 15.6550 15.6550 16.1137 16.1137 16.7350 16.7350 16.8725 16.8725 k = 0.0000 0.0000 0.0188 ( 3223 PWs) bands (ev): -5.7017 -5.7017 -5.0116 -5.0116 -4.7672 -4.7672 -2.9069 -2.9069 -2.5305 -2.5305 2.1168 2.1168 2.6913 2.6913 6.5703 6.5703 7.3017 7.3017 8.9840 8.9840 8.9999 8.9999 9.1456 9.1456 9.1612 9.1612 9.6273 9.6273 9.6401 9.6401 9.7472 9.7472 9.7594 9.7594 10.0940 10.0940 10.1695 10.1695 10.1782 10.1782 15.6542 15.6542 16.1183 16.1183 16.7117 16.7117 16.8942 16.8942 k = 0.0000 0.0000 0.0283 ( 3241 PWs) bands (ev): -5.6958 -5.6958 -5.0669 -5.0669 -4.7009 -4.7009 -3.0019 -3.0019 -2.4430 -2.4430 1.9891 1.9891 2.8449 2.8449 6.3853 6.3853 7.4811 7.4811 8.9806 8.9806 8.9965 8.9965 9.1538 9.1538 9.1693 9.1693 9.6002 9.6002 9.6131 9.6131 9.7737 9.7737 9.7856 9.7856 10.0605 10.0605 10.1651 10.1651 10.1740 10.1740 15.6530 15.6530 16.1259 16.1259 16.6816 16.6816 16.9220 16.9220 k = 0.0000 0.0000 0.0377 ( 3241 PWs) bands (ev): -5.6875 -5.6875 -5.1199 -5.1199 -4.6324 -4.6324 -3.0974 -3.0974 -2.3586 -2.3586 1.8682 1.8682 3.0025 3.0025 6.1999 6.1999 7.6586 7.6586 8.9764 8.9764 8.9923 8.9923 9.1647 9.1647 9.1802 9.1802 9.5726 9.5726 9.5858 9.5858 9.8003 9.8003 9.8121 9.8121 10.0140 10.0140 10.1591 10.1591 10.1682 10.1682 15.6515 15.6515 16.1364 16.1364 16.6483 16.6483 16.9530 16.9530 k = 0.0000 0.0000 0.0471 ( 3241 PWs) bands (ev): -5.6770 -5.6770 -5.1706 -5.1706 -4.5618 -4.5618 -3.1928 -3.1928 -2.2784 -2.2784 1.7553 1.7553 3.1637 3.1637 6.0143 6.0143 7.8338 7.8338 8.9719 8.9719 8.9879 8.9879 9.1779 9.1779 9.1932 9.1932 9.5450 9.5450 9.5583 9.5583 9.8266 9.8266 9.8382 9.8382 9.9549 9.9549 10.1516 10.1516 10.1609 10.1609 15.6497 15.6497 16.1496 16.1496 16.6134 16.6134 16.9858 16.9858 k = 0.0000 0.0000 0.0565 ( 3235 PWs) bands (ev): -5.6641 -5.6641 -5.2189 -5.2189 -4.4891 -4.4891 -3.2879 -3.2879 -2.2034 -2.2034 1.6515 1.6515 3.3280 3.3280 5.8287 5.8287 8.0064 8.0064 8.9674 8.9674 8.9833 8.9833 9.1929 9.1929 9.2082 9.2082 9.5176 9.5176 9.5311 9.5311 9.8524 9.8524 9.8638 9.8638 9.8840 9.8840 10.1427 10.1427 10.1521 10.1521 15.6477 15.6477 16.1655 16.1655 16.5778 16.5778 17.0193 17.0193 k = 0.0000 0.0000 0.0659 ( 3235 PWs) bands (ev): -5.6489 -5.6489 -5.2648 -5.2648 -4.4144 -4.4144 -3.3823 -3.3823 -2.1348 -2.1348 1.5578 1.5578 3.4951 3.4951 5.6433 5.6433 8.1760 8.1760 8.9630 8.9630 8.9791 8.9791 9.2096 9.2096 9.2248 9.2248 9.4904 9.4904 9.5041 9.5041 9.8016 9.8016 9.8775 9.8775 9.8887 9.8887 10.1324 10.1324 10.1419 10.1419 15.6458 15.6458 16.1838 16.1838 16.5419 16.5419 17.0523 17.0523 k = 0.0000 0.0000 0.0754 ( 3217 PWs) bands (ev): -5.6317 -5.6317 -5.3081 -5.3081 -4.3377 -4.3377 -3.4759 -3.4759 -2.0737 -2.0737 1.4754 1.4754 3.6649 3.6649 5.4582 5.4582 8.3423 8.3423 8.9592 8.9592 8.9752 8.9752 9.2276 9.2276 9.2427 9.2427 9.4636 9.4636 9.4774 9.4774 9.7086 9.7086 9.9015 9.9015 9.9126 9.9126 10.1209 10.1209 10.1305 10.1305 15.6440 15.6440 16.2046 16.2046 16.5063 16.5063 17.0834 17.0834 k = 0.0000 0.0000 0.0848 ( 3224 PWs) bands (ev): -5.6124 -5.6124 -5.3486 -5.3486 -4.2591 -4.2591 -3.5686 -3.5686 -2.0214 -2.0214 1.4058 1.4058 3.8369 3.8369 5.2737 5.2737 8.5047 8.5047 8.9558 8.9558 8.9719 8.9719 9.2468 9.2468 9.2618 9.2618 9.4374 9.4374 9.4513 9.4513 9.6056 9.6056 9.9242 9.9242 9.9352 9.9352 10.1085 10.1085 10.1182 10.1182 15.6423 15.6423 16.2272 16.2272 16.4712 16.4712 17.1113 17.1113 k = 0.0000 0.0000 0.0942 ( 3224 PWs) bands (ev): -5.5915 -5.5915 -5.3861 -5.3861 -4.1786 -4.1786 -3.6600 -3.6600 -1.9792 -1.9792 1.3500 1.3500 4.0110 4.0110 5.0899 5.0899 8.6627 8.6627 8.9532 8.9532 8.9693 8.9693 9.2671 9.2671 9.2819 9.2819 9.4117 9.4117 9.4258 9.4258 9.4935 9.4935 9.9451 9.9451 9.9558 9.9558 10.0957 10.0957 10.1056 10.1056 15.6409 15.6409 16.2516 16.2516 16.4370 16.4370 17.1346 17.1346 k = 0.0000 0.0000 0.1036 ( 3224 PWs) bands (ev): -5.5700 -5.5700 -5.4195 -5.4195 -4.0964 -4.0964 -3.7502 -3.7502 -1.9480 -1.9480 1.3092 1.3092 4.1870 4.1870 4.9069 4.9069 8.8158 8.8158 8.9512 8.9512 8.9673 8.9673 9.2879 9.2879 9.3027 9.3027 9.3730 9.3730 9.3870 9.3870 9.4012 9.4012 9.9630 9.9630 9.9736 9.9736 10.0835 10.0835 10.0935 10.0935 15.6399 15.6399 16.2776 16.2776 16.4041 16.4041 17.1522 17.1522 k = 0.0000 0.0000 0.1131 ( 3224 PWs) bands (ev): -5.5505 -5.5505 -5.4461 -5.4461 -4.0125 -4.0125 -3.8389 -3.8389 -1.9290 -1.9290 1.2843 1.2843 4.3648 4.3648 4.7250 4.7250 8.9500 8.9500 8.9629 8.9629 8.9661 8.9661 9.2455 9.2455 9.3086 9.3086 9.3232 9.3232 9.3640 9.3640 9.3784 9.3784 9.9761 9.9761 9.9866 9.9866 10.0739 10.0739 10.0840 10.0840 15.6392 15.6392 16.3040 16.3040 16.3734 16.3734 17.1632 17.1632 k = 0.0000 0.0000 0.1225 ( 3230 PWs) bands (ev): -5.5412 -5.5412 -5.4577 -5.4577 -3.9338 -3.9338 -3.9192 -3.9192 -1.9226 -1.9226 1.2760 1.2760 4.5385 4.5385 4.5499 4.5499 8.9496 8.9496 8.9657 8.9657 9.0820 9.0820 9.1329 9.1329 9.3216 9.3216 9.3361 9.3361 9.3502 9.3502 9.3647 9.3647 9.9812 9.9812 9.9916 9.9916 10.0700 10.0700 10.0802 10.0802 15.6390 15.6390 16.3216 16.3216 16.3544 16.3544 17.1669 17.1669 k = 0.0000 0.0000 0.1225 ( 3230 PWs) bands (ev): -5.5412 -5.5412 -5.4577 -5.4577 -3.9338 -3.9338 -3.9192 -3.9192 -1.9226 -1.9226 1.2760 1.2760 4.5385 4.5385 4.5499 4.5499 8.9496 8.9496 8.9657 8.9657 9.0820 9.0820 9.1329 9.1329 9.3216 9.3216 9.3361 9.3361 9.3502 9.3502 9.3647 9.3647 9.9812 9.9812 9.9916 9.9916 10.0700 10.0700 10.0802 10.0802 15.6390 15.6390 16.3216 16.3216 16.3544 16.3544 17.1669 17.1669 k = 0.0083 0.0048 0.1225 ( 3226 PWs) bands (ev): -5.5400 -5.5400 -5.4564 -5.4564 -3.9327 -3.9326 -3.9180 -3.9179 -1.9216 -1.9214 1.2771 1.2772 4.5392 4.5393 4.5506 4.5507 8.9442 8.9446 8.9613 8.9613 9.0806 9.0811 9.1316 9.1320 9.3073 9.3077 9.3163 9.3164 9.3617 9.3621 9.3707 9.3707 9.9751 9.9758 9.9858 9.9859 10.0701 10.0707 10.0805 10.0805 15.6441 15.6443 16.3253 16.3255 16.3580 16.3582 17.1677 17.1697 k = 0.0167 0.0096 0.1225 ( 3228 PWs) bands (ev): -5.5362 -5.5362 -5.4527 -5.4527 -3.9291 -3.9290 -3.9144 -3.9143 -1.9185 -1.9182 1.2805 1.2808 4.5414 4.5415 4.5528 4.5530 8.9251 8.9258 8.9513 8.9514 9.0769 9.0778 9.1280 9.1289 9.2702 9.2710 9.2889 9.2889 9.3647 9.3654 9.3833 9.3833 9.9558 9.9573 9.9724 9.9726 10.0670 10.0682 10.0830 10.0831 15.6595 15.6598 16.3363 16.3368 16.3689 16.3692 17.1694 17.1728 k = 0.0250 0.0144 0.1225 ( 3228 PWs) bands (ev): -5.5300 -5.5300 -5.4464 -5.4464 -3.9231 -3.9230 -3.9084 -3.9083 -1.9133 -1.9128 1.2864 1.2868 4.5450 4.5452 4.5565 4.5567 8.8899 8.8909 8.9387 8.9388 9.0705 9.0719 9.1217 9.1231 9.2183 9.2195 9.2585 9.2586 9.3549 9.3560 9.3952 9.3952 9.9240 9.9261 9.9553 9.9554 10.0570 10.0586 10.0881 10.0882 15.6844 15.6849 16.3536 16.3542 16.3866 16.3869 17.1596 17.1618 k = 0.0333 0.0192 0.1225 ( 3224 PWs) bands (ev): -5.5213 -5.5213 -5.4377 -5.4377 -3.9148 -3.9146 -3.9001 -3.8999 -1.9060 -1.9053 1.2945 1.2950 4.5501 4.5504 4.5616 4.5619 8.8399 8.8411 8.9225 8.9226 9.0604 9.0624 9.1111 9.1129 9.1565 9.1579 9.2246 9.2247 9.3334 9.3349 9.4039 9.4040 9.8827 9.8855 9.9348 9.9348 10.0394 10.0414 10.0935 10.0935 15.7178 15.7185 16.3746 16.3755 16.4106 16.4109 17.1241 17.1249 k = 0.0417 0.0241 0.1225 ( 3220 PWs) bands (ev): -5.5101 -5.5100 -5.4264 -5.4264 -3.9040 -3.9038 -3.8893 -3.8891 -1.8966 -1.8957 1.3050 1.3057 4.5566 4.5570 4.5681 4.5684 8.7763 8.7778 8.9025 8.9026 9.0411 9.0429 9.0786 9.0786 9.1095 9.1106 9.1876 9.1877 9.3009 9.3027 9.4092 9.4092 9.8343 9.8377 9.9113 9.9113 10.0143 10.0167 10.0979 10.0980 15.7582 15.7589 16.3953 16.3964 16.4410 16.4412 17.0702 17.0731 k = 0.0500 0.0289 0.1225 ( 3216 PWs) bands (ev): -5.4963 -5.4963 -5.4127 -5.4127 -3.8909 -3.8907 -3.8762 -3.8759 -1.8850 -1.8840 1.3178 1.3186 4.5645 4.5650 4.5759 4.5764 8.7001 8.7019 8.8787 8.8787 8.9772 8.9783 9.0418 9.0441 9.0899 9.0922 9.1476 9.1477 9.2582 9.2603 9.4108 9.4109 9.7808 9.7849 9.8851 9.8852 9.9817 9.9846 10.1008 10.1009 15.8032 15.8038 16.4104 16.4118 16.4773 16.4776 17.0104 17.0144 k = 0.0583 0.0337 0.1225 ( 3214 PWs) bands (ev): -5.4802 -5.4801 -5.3964 -5.3964 -3.8754 -3.8751 -3.8606 -3.8603 -1.8714 -1.8702 1.3330 1.3339 4.5737 4.5743 4.5851 4.5857 8.6123 8.6143 8.8511 8.8512 8.8826 8.8844 9.0163 9.0196 9.0689 9.0715 9.1049 9.1050 9.2068 9.2093 9.4089 9.4089 9.7244 9.7292 9.8564 9.8566 9.9421 9.9453 10.1020 10.1020 15.8494 15.8499 16.4155 16.4169 16.5170 16.5179 16.9507 16.9551 k = 0.0667 0.0385 0.1225 ( 3214 PWs) bands (ev): -5.4615 -5.4614 -5.3777 -5.3777 -3.8575 -3.8572 -3.8427 -3.8424 -1.8558 -1.8544 1.3504 1.3515 4.5842 4.5849 4.5956 4.5963 8.5138 8.5159 8.7765 8.7787 8.8202 8.8202 8.9842 8.9881 9.0417 9.0442 9.0599 9.0599 9.1499 9.1524 9.4035 9.4036 9.6676 9.6730 9.8255 9.8257 9.8961 9.8996 10.1012 10.1012 15.8923 15.8925 16.4065 16.4080 16.5566 16.5584 16.8964 16.9007 k = 0.0750 0.0433 0.1225 ( 3216 PWs) bands (ev): -5.4403 -5.4403 -5.3565 -5.3565 -3.8373 -3.8369 -3.8224 -3.8221 -1.8380 -1.8365 1.3702 1.3714 4.5959 4.5966 4.6073 4.6080 8.4055 8.4078 8.6615 8.6641 8.7859 8.7860 8.9409 8.9451 9.0026 9.0035 9.0131 9.0139 9.0942 9.0959 9.3948 9.3948 9.6131 9.6190 9.7924 9.7928 9.8445 9.8482 10.0983 10.0983 15.9250 15.9254 16.3810 16.3825 16.5913 16.5944 16.8529 16.8566 k = 0.0833 0.0481 0.1225 ( 3224 PWs) bands (ev): -5.4167 -5.4167 -5.3328 -5.3328 -3.8147 -3.8143 -3.7998 -3.7994 -1.8183 -1.8165 1.3923 1.3936 4.6087 4.6095 4.6200 4.6209 8.2884 8.2909 8.5389 8.5417 8.7488 8.7488 8.8839 8.8880 8.9440 8.9444 8.9639 8.9645 9.0481 9.0482 9.3828 9.3828 9.5633 9.5693 9.7572 9.7578 9.7887 9.7924 10.0932 10.0933 15.9398 15.9411 16.3389 16.3404 16.6166 16.6212 16.8236 16.8262 k = 0.0917 0.0529 0.1225 ( 3232 PWs) bands (ev): -5.3906 -5.3906 -5.3066 -5.3066 -3.7897 -3.7893 -3.7748 -3.7744 -1.7964 -1.7945 1.4166 1.4181 4.6225 4.6234 4.6337 4.6347 8.1634 8.1661 8.4095 8.4126 8.7089 8.7089 8.8120 8.8156 8.8668 8.8678 8.9124 8.9128 9.0086 9.0098 9.3677 9.3677 9.5195 9.5254 9.7188 9.7207 9.7310 9.7335 10.0860 10.0860 15.9302 15.9326 16.2818 16.2831 16.6313 16.6370 16.8046 16.8064 k = 0.1000 0.0577 0.1225 ( 3228 PWs) bands (ev): -5.3620 -5.3620 -5.2780 -5.2779 -3.7624 -3.7619 -3.7475 -3.7470 -1.7726 -1.7705 1.4432 1.4448 4.6371 4.6382 4.6483 4.6494 8.0314 8.0343 8.2743 8.2776 8.6666 8.6666 8.7260 8.7288 8.7769 8.7783 8.8595 8.8598 8.9702 8.9720 9.3498 9.3498 9.4822 9.4878 9.6664 9.6719 9.6833 9.6842 10.0766 10.0767 15.8937 15.8972 16.2116 16.2126 16.6366 16.6429 16.7831 16.7844 k = 0.1083 0.0625 0.1225 ( 3240 PWs) bands (ev): -5.3310 -5.3310 -5.2469 -5.2469 -3.7328 -3.7323 -3.7178 -3.7173 -1.7468 -1.7445 1.4720 1.4737 4.6525 4.6537 4.6636 4.6648 7.8932 7.8963 8.1341 8.1377 8.6215 8.6216 8.6282 8.6303 8.6776 8.6793 8.8054 8.8055 8.9282 8.9303 9.3290 9.3290 9.4502 9.4553 9.6072 9.6123 9.6428 9.6433 10.0651 10.0651 15.8332 15.8373 16.1303 16.1307 16.6298 16.6365 16.7467 16.7477 k = 0.1167 0.0674 0.1225 ( 3248 PWs) bands (ev): -5.2976 -5.2976 -5.2133 -5.2133 -3.7009 -3.7003 -3.6858 -3.6852 -1.7190 -1.7166 1.5031 1.5049 4.6684 4.6697 4.6794 4.6807 7.7496 7.7528 7.9897 7.9935 8.5185 8.5203 8.5700 8.5722 8.5762 8.5763 8.7501 8.7502 8.8800 8.8821 9.3058 9.3058 9.4214 9.4258 9.5508 9.5557 9.6012 9.6015 10.0515 10.0515 15.7541 15.7586 16.0399 16.0401 16.6057 16.6124 16.6937 16.6949 k = 0.1250 0.0722 0.1225 ( 3244 PWs) bands (ev): -5.2617 -5.2617 -5.1773 -5.1773 -3.6667 -3.6660 -3.6515 -3.6509 -1.6893 -1.6867 1.5363 1.5383 4.6846 4.6861 4.6954 4.6970 7.6013 7.6047 7.8421 7.8461 8.4007 8.4023 8.4566 8.4596 8.5280 8.5280 8.6939 8.6940 8.8240 8.8259 9.2801 9.2802 9.3924 9.3961 9.5015 9.5061 9.5584 9.5586 10.0358 10.0359 15.6619 15.6665 15.9424 15.9433 16.5619 16.5678 16.6297 16.6318 k = 0.1333 0.0770 0.1225 ( 3244 PWs) bands (ev): -5.2234 -5.2233 -5.1389 -5.1389 -3.6302 -3.6295 -3.6149 -3.6142 -1.6577 -1.6549 1.5717 1.5738 4.7009 4.7025 4.7115 4.7132 7.4490 7.4526 7.6919 7.6962 8.2750 8.2764 8.3383 8.3420 8.4785 8.4786 8.6369 8.6370 8.7590 8.7604 9.2524 9.2524 9.3597 9.3625 9.4629 9.4672 9.5144 9.5145 10.0182 10.0183 15.5606 15.5650 15.8403 15.8417 16.5004 16.5049 16.5600 16.5636 k = 0.1417 0.0818 0.1225 ( 3248 PWs) bands (ev): -5.1827 -5.1826 -5.0980 -5.0980 -3.5914 -3.5907 -3.5760 -3.5753 -1.6242 -1.6212 1.6092 1.6114 4.7167 4.7185 4.7273 4.7292 7.2934 7.2971 7.5402 7.5447 8.1424 8.1436 8.2167 8.2211 8.4280 8.4280 8.5794 8.5795 8.6845 8.6854 9.2226 9.2226 9.3220 9.3240 9.4357 9.4397 9.4694 9.4696 9.9988 9.9988 15.4531 15.4573 15.7351 15.7372 16.4256 16.4288 16.4872 16.4923 k = 0.1500 0.0866 0.1225 ( 3246 PWs) bands (ev): -5.1395 -5.1395 -5.0548 -5.0547 -3.5504 -3.5496 -3.5348 -3.5341 -1.5889 -1.5857 1.6488 1.6511 4.7317 4.7336 4.7425 4.7446 7.1352 7.1390 7.3878 7.3925 8.0038 8.0049 8.0928 8.0977 8.3764 8.3765 8.5216 8.5216 8.6008 8.6011 9.1912 9.1912 9.2818 9.2829 9.4162 9.4196 9.4244 9.4245 9.9776 9.9776 15.3413 15.3452 15.6282 15.6308 16.3418 16.3442 16.4122 16.4183 k = 0.1583 0.0914 0.1225 ( 3252 PWs) bands (ev): -5.0940 -5.0940 -5.0091 -5.0091 -3.5072 -3.5063 -3.4914 -3.4906 -1.5518 -1.5485 1.6904 1.6928 4.7450 4.7471 4.7568 4.7591 6.9748 6.9787 7.2356 7.2405 7.8605 7.8612 7.9673 7.9727 8.3241 8.3241 8.4633 8.4634 8.5081 8.5084 9.1581 9.1581 9.2414 9.2418 9.3766 9.3767 9.4036 9.4066 9.9548 9.9549 15.2266 15.2301 15.5205 15.5236 16.2522 16.2541 16.3357 16.3424 k = 0.1667 0.0962 0.1225 ( 3252 PWs) bands (ev): -5.0461 -5.0461 -4.9610 -4.9610 -3.4618 -3.4609 -3.4457 -3.4449 -1.5130 -1.5095 1.7341 1.7365 4.7558 4.7581 4.7699 4.7724 6.8128 6.8169 7.0847 7.0899 7.7131 7.7136 7.8410 7.8468 8.2713 8.2713 8.4028 8.4045 8.4091 8.4098 9.1237 9.1237 9.2015 9.2019 9.3296 9.3296 9.3924 9.3951 9.9306 9.9306 15.1100 15.1130 15.4128 15.4163 16.1585 16.1603 16.2584 16.2654 k = 0.1750 0.1010 0.1225 ( 3250 PWs) bands (ev): -4.9958 -4.9958 -4.9106 -4.9106 -3.4142 -3.4133 -3.3978 -3.3970 -1.4725 -1.4688 1.7796 1.7822 4.7628 4.7654 4.7814 4.7842 6.6500 6.6542 6.9364 6.9419 7.5628 7.5629 7.7146 7.7207 8.2180 8.2180 8.2998 8.3016 8.3473 8.3476 9.0881 9.0881 9.1621 9.1632 9.2820 9.2821 9.3828 9.3851 9.9050 9.9050 14.9922 14.9949 15.3057 15.3096 16.0621 16.0637 16.1809 16.1880 k = 0.1833 0.1058 0.1225 ( 3256 PWs) bands (ev): -4.9432 -4.9432 -4.8578 -4.8578 -3.3645 -3.3635 -3.3477 -3.3468 -1.4303 -1.4265 1.8270 1.8297 4.7648 4.7676 4.7907 4.7937 6.4867 6.4911 6.7920 6.7977 7.4101 7.4103 7.5888 7.5953 8.1645 8.1645 8.1874 8.1896 8.2894 8.2895 9.0515 9.0515 9.1231 9.1249 9.2341 9.2342 9.3739 9.3759 9.8781 9.8781 14.8738 14.8760 15.1996 15.2038 15.9636 15.9653 16.1038 16.1110 k = 0.1917 0.1107 0.1225 ( 3252 PWs) bands (ev): -4.8883 -4.8883 -4.8027 -4.8026 -3.3127 -3.3117 -3.2954 -3.2945 -1.3867 -1.3826 1.8762 1.8789 4.7602 4.7633 4.7969 4.8002 6.3236 6.3281 6.6530 6.6588 7.2559 7.2565 7.4645 7.4712 8.0703 8.0731 8.1111 8.1112 8.2318 8.2320 9.0140 9.0141 9.0841 9.0865 9.1861 9.1862 9.3653 9.3670 9.8502 9.8502 14.7553 14.7571 15.0948 15.0993 15.8639 15.8656 16.0274 16.0346 k = 0.2000 0.1155 0.1225 ( 3260 PWs) bands (ev): -4.8311 -4.8311 -4.7452 -4.7452 -3.2589 -3.2579 -3.2410 -3.2401 -1.3415 -1.3373 1.9270 1.9299 4.7473 4.7506 4.7991 4.8027 6.1614 6.1660 6.5209 6.5268 7.1015 7.1025 7.3424 7.3494 7.9498 7.9530 8.0577 8.0578 8.1748 8.1749 8.9759 8.9760 9.0445 9.0475 9.1381 9.1382 9.3567 9.3580 9.8213 9.8214 14.6369 14.6383 14.9918 14.9965 15.7635 15.7652 15.9520 15.9591 k = 0.2083 0.1203 0.1225 ( 3262 PWs) bands (ev): -4.7716 -4.7715 -4.6854 -4.6854 -3.2031 -3.2020 -3.1844 -3.1835 -1.2950 -1.2907 1.9795 1.9824 4.7240 4.7275 4.7960 4.7998 6.0007 6.0055 6.3972 6.4031 6.9482 6.9496 7.2236 7.2309 7.8267 7.8303 8.0046 8.0046 8.1183 8.1184 8.9374 8.9374 9.0039 9.0075 9.0901 9.0903 9.3476 9.3487 9.7917 9.7917 14.5190 14.5201 14.8907 14.8956 15.6629 15.6646 15.8777 15.8848 k = 0.2167 0.1251 0.1225 ( 3260 PWs) bands (ev): -4.7098 -4.7098 -4.6234 -4.6234 -3.1454 -3.1442 -3.1257 -3.1247 -1.2472 -1.2427 2.0333 2.0363 4.6884 4.6920 4.7863 4.7903 5.8423 5.8472 6.2826 6.2883 6.7980 6.7999 7.1089 7.1164 7.7017 7.7057 7.9519 7.9519 8.0625 8.0625 8.8985 8.8985 8.9620 8.9660 9.0424 9.0426 9.3380 9.3388 9.7615 9.7615 14.4018 14.4026 14.7917 14.7968 15.5624 15.5642 15.8048 15.8118 k = 0.2250 0.1299 0.1225 ( 3264 PWs) bands (ev): -4.6458 -4.6458 -4.5591 -4.5591 -3.0858 -3.0845 -3.0650 -3.0640 -1.1983 -1.1935 2.0885 2.0914 4.6387 4.6423 4.7683 4.7724 5.6873 5.6923 6.1766 6.1817 6.6537 6.6564 6.9993 7.0069 7.5758 7.5802 7.8996 7.8997 8.0074 8.0075 8.8594 8.8594 8.9184 8.9229 8.9950 8.9952 9.3276 9.3281 9.7307 9.7307 14.2856 14.2861 14.6951 14.7004 15.4626 15.4643 15.7333 15.7403 k = 0.2333 0.1347 0.1225 ( 3262 PWs) bands (ev): -4.5796 -4.5795 -4.4926 -4.4925 -3.0243 -3.0230 -3.0021 -3.0011 -1.1483 -1.1434 2.1447 2.1477 4.5737 4.5771 4.7401 4.7443 5.5368 5.5419 6.0758 6.0801 6.5202 6.5238 6.8955 6.9031 7.4499 7.4546 7.8480 7.8480 7.9533 7.9534 8.8203 8.8203 8.8728 8.8778 8.9481 8.9483 9.3162 9.3166 9.6996 9.6996 14.1705 14.1707 14.6009 14.6063 15.3637 15.3654 15.6635 15.6704 k = 0.2417 0.1395 0.1225 ( 3258 PWs) bands (ev): -4.5112 -4.5112 -4.4238 -4.4238 -2.9611 -2.9598 -2.9373 -2.9362 -1.0973 -1.0923 2.2017 2.2047 4.4932 4.4965 4.6998 4.7040 5.3923 5.3973 5.9741 5.9772 6.4044 6.4092 6.7981 6.8057 7.3251 7.3302 7.7971 7.7972 7.9001 7.9002 8.7813 8.7813 8.8252 8.8305 8.9016 8.9019 9.3038 9.3039 9.6683 9.6683 14.0566 14.0567 14.5094 14.5148 15.2662 15.2678 15.5954 15.6022 k = 0.2500 0.1443 0.1225 ( 3262 PWs) bands (ev): -4.4407 -4.4406 -4.3529 -4.3529 -2.8963 -2.8949 -2.8705 -2.8694 -1.0457 -1.0404 2.2592 2.2623 4.3982 4.4012 4.6454 4.6493 5.2552 5.2601 5.8634 5.8654 6.3137 6.3195 6.7071 6.7144 7.2031 7.2086 7.7471 7.7471 7.8479 7.8480 8.7424 8.7425 8.7752 8.7809 8.8559 8.8562 9.2901 9.2902 9.6368 9.6368 13.9440 13.9443 14.4205 14.4260 15.1702 15.1719 15.5291 15.5357 k = 0.2583 0.1491 0.1225 ( 3266 PWs) bands (ev): -4.3680 -4.3680 -4.2799 -4.2798 -2.8299 -2.8284 -2.8018 -2.8007 -0.9935 -0.9880 2.3170 2.3199 4.2903 4.2928 4.5756 4.5790 5.1268 5.1314 5.7391 5.7402 6.2511 6.2576 6.6218 6.6287 7.0861 7.0921 7.6980 7.6980 7.7969 7.7970 8.7039 8.7040 8.7230 8.7289 8.8109 8.8111 9.2749 9.2753 9.6053 9.6053 13.8330 13.8335 14.3345 14.3400 15.0762 15.0778 15.4646 15.4712 k = 0.2667 0.1540 0.1225 ( 3264 PWs) bands (ev): -4.2933 -4.2933 -4.2047 -4.2046 -2.7620 -2.7605 -2.7312 -2.7301 -0.9409 -0.9353 2.3743 2.3773 4.1717 4.1738 4.4904 4.4930 5.0074 5.0115 5.6022 5.6028 6.2131 6.2199 6.5406 6.5468 6.9772 6.9837 7.6499 7.6500 7.7471 7.7471 8.6651 8.6659 8.6691 8.6745 8.7667 8.7669 9.2584 9.2589 9.5739 9.5740 13.7237 13.7244 14.2512 14.2567 14.9845 14.9860 15.4021 15.4086 k = 0.2750 0.1588 0.1225 ( 3256 PWs) bands (ev): -4.2166 -4.2165 -4.1275 -4.1274 -2.6927 -2.6911 -2.6587 -2.6576 -0.8882 -0.8824 2.4308 2.4336 4.0445 4.0462 4.3914 4.3932 4.8959 4.8996 5.4563 5.4567 6.1923 6.1992 6.4617 6.4672 6.8805 6.8875 7.6029 7.6030 7.6985 7.6986 8.6108 8.6172 8.6288 8.6288 8.7234 8.7236 9.2403 9.2410 9.5428 9.5428 13.6163 13.6172 14.1709 14.1764 14.8952 14.8967 15.3417 15.3480 k = 0.2833 0.1636 0.1225 ( 3248 PWs) bands (ev): -4.1380 -4.1379 -4.0482 -4.0481 -2.6222 -2.6206 -2.5845 -2.5834 -0.8356 -0.8297 2.4855 2.4882 3.9109 3.9122 4.2820 4.2829 4.7904 4.7938 5.3051 5.3055 6.1777 6.1845 6.3866 6.3912 6.8001 6.8075 7.5571 7.5572 7.6513 7.6513 8.5514 8.5580 8.5919 8.5919 8.6811 8.6813 9.2206 9.2215 9.5120 9.5121 13.5108 13.5119 14.0935 14.0989 14.8087 14.8101 15.2834 15.2895 k = 0.2917 0.1684 0.1225 ( 3248 PWs) bands (ev): -4.0574 -4.0573 -3.9670 -3.9669 -2.5506 -2.5489 -2.5087 -2.5076 -0.7836 -0.7775 2.5373 2.5398 3.7728 3.7738 4.1659 4.1661 4.6889 4.6921 5.1512 5.1516 6.1486 6.1551 6.3289 6.3330 6.7384 6.7460 7.5126 7.5126 7.6054 7.6054 8.4896 8.4964 8.5559 8.5559 8.6398 8.6400 9.1993 9.2004 9.4817 9.4817 13.4075 13.4087 14.0190 14.0244 14.7251 14.7265 15.2272 15.2331 k = 0.3000 0.1732 0.1225 ( 3244 PWs) bands (ev): -3.9750 -3.9748 -3.8839 -3.8837 -2.4781 -2.4763 -2.4313 -2.4301 -0.7323 -0.7261 2.5850 2.5873 3.6320 3.6325 4.0465 4.0469 4.5900 4.5933 4.9965 4.9969 6.0806 6.0863 6.3097 6.3139 6.6952 6.7028 7.4693 7.4694 7.5609 7.5610 8.4258 8.4327 8.5207 8.5207 8.5997 8.5999 9.1763 9.1775 9.4519 9.4519 13.3063 13.3076 13.9474 13.9527 14.6447 14.6460 15.1732 15.1790 k = 0.3083 0.1780 0.1225 ( 3244 PWs) bands (ev): -3.8908 -3.8906 -3.7989 -3.7987 -2.4048 -2.4029 -2.3523 -2.3512 -0.6823 -0.6760 2.6266 2.6286 3.4898 3.4900 3.9272 3.9281 4.4933 4.4968 4.8425 4.8431 5.9808 5.9860 6.3210 6.3252 6.6681 6.6754 7.4275 7.4275 7.5180 7.5180 8.3602 8.3671 8.4865 8.4865 8.5608 8.5609 9.1515 9.1528 9.4226 9.4227 13.2075 13.2089 13.8789 13.8841 14.5676 14.5689 15.1214 15.1271 k = 0.3167 0.1828 0.1225 ( 3254 PWs) bands (ev): -3.8049 -3.8047 -3.7120 -3.7118 -2.3310 -2.3291 -2.2720 -2.2709 -0.6340 -0.6275 2.6598 2.6615 3.3477 3.3477 3.8106 3.8118 4.3989 4.4027 4.6914 4.6923 5.8658 5.8707 6.3466 6.3508 6.6541 6.6610 7.3870 7.3870 7.4765 7.4766 8.2932 8.3000 8.4532 8.4532 8.5231 8.5232 9.1248 9.1264 9.3941 9.3942 13.1111 13.1126 13.8132 13.8183 14.4940 14.4952 15.0719 15.0774 k = 0.3250 0.1876 0.1225 ( 3258 PWs) bands (ev): -3.7175 -3.7173 -3.6235 -3.6232 -2.2569 -2.2549 -2.1905 -2.1893 -0.5879 -0.5813 2.6816 2.6829 3.2071 3.2074 3.6986 3.6999 4.3063 4.3102 4.5464 4.5478 5.7432 5.7480 6.3792 6.3831 6.6505 6.6570 7.3481 7.3481 7.4367 7.4367 8.2251 8.2319 8.4211 8.4211 8.4867 8.4868 9.0964 9.0981 9.3664 9.3664 13.0173 13.0188 13.7505 13.7555 14.4240 14.4251 15.0247 15.0300 k = 0.3333 0.1925 0.1225 ( 3266 PWs) bands (ev): -3.6285 -3.6283 -3.5333 -3.5330 -2.1828 -2.1807 -2.1078 -2.1066 -0.5446 -0.5379 2.6881 2.6890 3.0705 3.0712 3.5923 3.5936 4.2119 4.2155 4.4145 4.4171 5.6167 5.6214 6.4148 6.4184 6.6554 6.6614 7.3106 7.3107 7.3984 7.3985 8.1565 8.1632 8.3900 8.3900 8.4517 8.4518 9.0661 9.0679 9.3395 9.3395 12.9261 12.9278 13.6908 13.6956 14.3576 14.3587 14.9798 14.9849 k = 0.3417 0.1973 0.1225 ( 3262 PWs) bands (ev): -3.5382 -3.5380 -3.4415 -3.4411 -2.1090 -2.1069 -2.0241 -2.0230 -0.5048 -0.4980 2.6738 2.6744 2.9422 2.9431 3.4919 3.4931 4.1067 4.1094 4.3087 4.3132 5.4882 5.4928 6.4508 6.4539 6.6678 6.6734 7.2748 7.2748 7.3618 7.3619 8.0881 8.0946 8.3602 8.3602 8.4180 8.4181 9.0340 9.0360 9.3135 9.3135 12.8378 12.8395 13.6339 13.6386 14.2950 14.2960 14.9372 14.9421 k = 0.3500 0.2021 0.1225 ( 3258 PWs) bands (ev): -3.4467 -3.4464 -3.3482 -3.3478 -2.0360 -2.0337 -1.9397 -1.9386 -0.4691 -0.4622 2.6307 2.6310 2.8302 2.8314 3.3966 3.3975 3.9843 3.9859 4.2389 4.2453 5.3588 5.3633 6.4842 6.4867 6.6874 6.6927 7.2405 7.2406 7.3269 7.3270 8.0207 8.0269 8.3316 8.3317 8.3859 8.3859 9.0002 9.0022 9.2885 9.2885 12.7524 12.7541 13.5800 13.5845 14.2361 14.2370 14.8968 14.9016 k = 0.3583 0.2069 0.1225 ( 3262 PWs) bands (ev): -3.3541 -3.3538 -3.2535 -3.2531 -1.9641 -1.9618 -1.8547 -1.8536 -0.4382 -0.4313 2.5517 2.5521 2.7431 2.7443 3.3049 3.3054 3.8500 3.8510 4.2022 4.2100 5.2295 5.2339 6.5120 6.5139 6.7147 6.7197 7.2080 7.2080 7.2937 7.2938 7.9552 7.9611 8.3044 8.3044 8.3551 8.3552 8.9646 8.9667 9.2645 9.2646 12.6701 12.6718 13.5290 13.5333 14.1810 14.1819 14.8587 14.8632 k = 0.3667 0.2117 0.1225 ( 3270 PWs) bands (ev): -3.2606 -3.2603 -3.1576 -3.1571 -1.8939 -1.8915 -1.7694 -1.7683 -0.4130 -0.4061 2.4468 2.4474 2.6745 2.6756 3.2151 3.2153 3.7113 3.7120 4.1919 4.2005 5.1009 5.1053 6.5319 6.5329 6.7496 6.7544 7.1771 7.1771 7.2623 7.2623 7.8927 7.8981 8.2785 8.2785 8.3260 8.3260 8.9273 8.9296 9.2417 9.2417 12.5910 12.5927 13.4808 13.4849 14.1296 14.1305 14.8228 14.8271 k = 0.3750 0.2165 0.1225 ( 3274 PWs) bands (ev): -3.1665 -3.1661 -3.0606 -3.0600 -1.8260 -1.8235 -1.6841 -1.6829 -0.3942 -0.3874 2.3324 2.3332 2.6119 2.6130 3.1263 3.1263 3.5725 3.5731 4.2025 4.2117 4.9740 4.9783 6.5424 6.5424 6.7914 6.7961 7.1479 7.1479 7.2326 7.2327 7.8343 7.8391 8.2540 8.2540 8.2984 8.2984 8.8885 8.8908 9.2199 9.2200 12.5153 12.5170 13.4355 13.4394 14.0820 14.0828 14.7891 14.7931 k = 0.3833 0.2213 0.1225 ( 3268 PWs) bands (ev): -3.0721 -3.0716 -2.9626 -2.9620 -1.7610 -1.7585 -1.5990 -1.5979 -0.3824 -0.3757 2.2177 2.2186 2.5504 2.5514 3.0386 3.0387 3.4362 3.4367 4.2292 4.2388 4.8498 4.8540 6.5420 6.5429 6.8386 6.8431 7.1205 7.1205 7.2048 7.2048 7.7814 7.7855 8.2309 8.2310 8.2723 8.2724 8.8483 8.8506 9.1994 9.1995 12.4430 12.4447 13.3931 13.3968 14.0381 14.0388 14.7575 14.7613 k = 0.3917 0.2261 0.1225 ( 3272 PWs) bands (ev): -2.9775 -2.9771 -2.8638 -2.8631 -1.6998 -1.6973 -1.5147 -1.5136 -0.3782 -0.3717 2.1066 2.1077 2.4890 2.4900 2.9527 2.9529 3.3045 3.3049 4.2667 4.2766 4.7305 4.7346 6.5313 6.5333 6.8895 6.8938 7.0949 7.0949 7.1787 7.1787 7.7348 7.7383 8.2094 8.2094 8.2479 8.2480 8.8067 8.8092 9.1801 9.1802 12.3745 12.3762 13.3536 13.3570 13.9978 13.9985 14.7280 14.7315 k = 0.4000 0.2309 0.1225 ( 3264 PWs) bands (ev): -2.8833 -2.8828 -2.7644 -2.7636 -1.6433 -1.6407 -1.4314 -1.4304 -0.3819 -0.3756 2.0014 2.0027 2.4277 2.4286 2.8696 2.8698 3.1799 3.1802 4.3063 4.3161 4.6221 4.6261 6.5103 6.5133 6.9427 6.9469 7.0710 7.0711 7.1545 7.1546 7.6956 7.6983 8.1893 8.1893 8.2252 8.2252 8.7642 8.7666 9.1621 9.1622 12.3099 12.3115 13.3169 13.3201 13.9611 13.9617 14.7005 14.7038 k = 0.4083 0.2358 0.1225 ( 3270 PWs) bands (ev): -2.7900 -2.7894 -2.6646 -2.6637 -1.5924 -1.5898 -1.3499 -1.3490 -0.3935 -0.3875 1.9037 1.9051 2.3662 2.3670 2.7888 2.7890 3.0662 3.0664 4.3241 4.3330 4.5460 4.5509 6.4792 6.4832 6.9970 7.0011 7.0490 7.0491 7.1322 7.1322 7.6642 7.6662 8.1708 8.1708 8.2041 8.2042 8.7208 8.7233 9.1454 9.1455 12.2493 12.2508 13.2831 13.2861 13.9279 13.9284 14.6749 14.6779 k = 0.4167 0.2406 0.1225 ( 3270 PWs) bands (ev): -2.6979 -2.6974 -2.5647 -2.5637 -1.5483 -1.5456 -1.2708 -1.2698 -0.4128 -0.4071 1.8148 1.8162 2.3040 2.3047 2.7078 2.7080 2.9693 2.9695 4.2783 4.2849 4.5425 4.5495 6.4384 6.4433 7.0286 7.0289 7.0520 7.0555 7.1119 7.1119 7.6405 7.6418 8.1539 8.1539 8.1848 8.1848 8.6770 8.6795 9.1301 9.1301 12.1930 12.1945 13.2523 13.2550 13.8980 13.8985 14.6512 14.6540 k = 0.4250 0.2454 0.1225 ( 3262 PWs) bands (ev): -2.6080 -2.6074 -2.4649 -2.4639 -1.5119 -1.5092 -1.1948 -1.1939 -0.4390 -0.4337 1.7357 1.7372 2.2411 2.2416 2.6223 2.6225 2.8959 2.8960 4.1870 4.1923 4.5923 4.6003 6.3888 6.3945 7.0105 7.0106 7.0926 7.0927 7.1066 7.1100 7.6240 7.6248 8.1386 8.1386 8.1671 8.1672 8.6331 8.6355 9.1161 9.1161 12.1412 12.1426 13.2243 13.2267 13.8714 13.8719 14.6295 14.6320 k = 0.4333 0.2502 0.1225 ( 3272 PWs) bands (ev): -2.5209 -2.5203 -2.3658 -2.3646 -1.4846 -1.4819 -1.1227 -1.1219 -0.4711 -0.4662 1.6675 1.6690 2.1779 2.1784 2.5304 2.5306 2.8491 2.8492 4.0841 4.0888 4.6603 4.6685 6.3319 6.3381 6.9942 6.9942 7.0764 7.0765 7.1587 7.1621 7.6139 7.6142 8.1249 8.1249 8.1513 8.1513 8.5896 8.5920 9.1036 9.1036 12.0941 12.0953 13.1992 13.2014 13.8480 13.8484 14.6096 14.6118 k = 0.4417 0.2550 0.1225 ( 3264 PWs) bands (ev): -2.4378 -2.4372 -2.2676 -2.2663 -1.4672 -1.4645 -1.0558 -1.0550 -0.5073 -0.5029 1.6108 1.6123 2.1162 2.1166 2.4348 2.4350 2.8264 2.8267 3.9805 3.9847 4.7349 4.7431 6.2694 6.2760 6.9797 6.9797 7.0618 7.0618 7.2090 7.2121 7.6089 7.6090 8.1128 8.1128 8.1372 8.1372 8.5472 8.5495 9.0924 9.0924 12.0519 12.0530 13.1771 13.1790 13.8277 13.8280 14.5917 14.5936 k = 0.4500 0.2598 0.1225 ( 3268 PWs) bands (ev): -2.3599 -2.3593 -2.1710 -2.1696 -1.4607 -1.4581 -0.9953 -0.9946 -0.5456 -0.5417 1.5659 1.5673 2.0581 2.0585 2.3396 2.3399 2.8231 2.8236 3.8800 3.8839 4.8116 4.8197 6.2033 6.2101 6.9671 6.9671 7.0490 7.0491 7.2559 7.2588 7.6079 7.6081 8.1023 8.1023 8.1249 8.1249 8.5066 8.5088 9.0827 9.0827 12.0148 12.0158 13.1579 13.1595 13.8103 13.8106 14.5758 14.5774 k = 0.4583 0.2646 0.1225 ( 3268 PWs) bands (ev): -2.2888 -2.2882 -2.0766 -2.0751 -1.4658 -1.4632 -0.9428 -0.9421 -0.5835 -0.5801 1.5326 1.5338 2.0059 2.0063 2.2486 2.2489 2.8343 2.8350 3.7849 3.7884 4.8876 4.8953 6.1361 6.1428 6.9564 6.9564 7.0382 7.0382 7.2985 7.3010 7.6100 7.6103 8.0934 8.0934 8.1144 8.1144 8.4689 8.4709 9.0745 9.0745 11.9831 11.9839 13.1417 13.1430 13.7958 13.7961 14.5620 14.5634 k = 0.4667 0.2694 0.1225 ( 3262 PWs) bands (ev): -2.2261 -2.2256 -1.9851 -1.9834 -1.4827 -1.4802 -0.8999 -0.8993 -0.6176 -0.6149 1.5100 1.5111 1.9623 1.9627 2.1647 2.1651 2.8555 2.8563 3.6976 3.7007 4.9601 4.9670 6.0708 6.0770 6.9476 6.9477 7.0294 7.0294 7.3354 7.3375 7.6140 7.6144 8.0862 8.0862 8.1058 8.1058 8.4352 8.4369 9.0677 9.0677 11.9569 11.9576 13.1284 13.1295 13.7841 13.7843 14.5505 14.5516 k = 0.4750 0.2742 0.1225 ( 3262 PWs) bands (ev): -2.1741 -2.1737 -1.8975 -1.8958 -1.5115 -1.5091 -0.8685 -0.8680 -0.6448 -0.6428 1.4965 1.4974 1.9296 1.9300 2.0907 2.0911 2.8823 2.8832 3.6210 3.6236 5.0254 5.0314 6.0111 6.0166 6.9408 6.9408 7.0225 7.0225 7.3655 7.3672 7.6190 7.6194 8.0806 8.0806 8.0991 8.0991 8.4068 8.4081 9.0624 9.0625 11.9363 11.9368 13.1181 13.1189 13.7751 13.7752 14.5414 14.5421 k = 0.4833 0.2791 0.1225 ( 3254 PWs) bands (ev): -2.1348 -2.1345 -1.8151 -1.8132 -1.5515 -1.5492 -0.8493 -0.8488 -0.6625 -0.6613 1.4898 1.4904 1.9096 1.9100 2.0298 2.0302 2.9092 2.9100 3.5595 3.5614 5.0791 5.0836 5.9620 5.9661 6.9360 6.9360 7.0175 7.0176 7.3879 7.3890 7.6238 7.6241 8.0766 8.0766 8.0942 8.0942 8.3851 8.3861 9.0587 9.0587 11.9215 11.9219 13.1107 13.1113 13.7687 13.7688 14.5348 14.5353 k = 0.4917 0.2839 0.1225 ( 3252 PWs) bands (ev): -2.1103 -2.1101 -1.7398 -1.7379 -1.6010 -1.5989 -0.8403 -0.8400 -0.6712 -0.6706 1.4873 1.4876 1.9023 1.9026 1.9865 1.9869 2.9299 2.9303 3.5187 3.5197 5.1156 5.1180 5.9294 5.9316 6.9330 6.9330 7.0146 7.0146 7.4017 7.4023 7.6273 7.6274 8.0743 8.0743 8.0913 8.0913 8.3716 8.3721 9.0564 9.0564 11.9127 11.9129 13.1064 13.1067 13.7649 13.7649 14.5308 14.5311 k = 0.5000 0.2887 0.1225 ( 3252 PWs) bands (ev): -2.1019 -2.1019 -1.6881 -1.6881 -1.6422 -1.6422 -0.8379 -0.8379 -0.6734 -0.6734 1.4869 1.4869 1.9021 1.9021 1.9697 1.9697 2.9379 2.9379 3.5046 3.5046 5.1294 5.1294 5.9185 5.9185 6.9321 6.9321 7.0136 7.0136 7.4065 7.4065 7.6286 7.6286 8.0735 8.0735 8.0904 8.0904 8.3672 8.3672 9.0557 9.0557 11.9098 11.9098 13.1050 13.1050 13.7636 13.7636 14.5296 14.5296 k = 0.5000 0.2887 0.1225 ( 3252 PWs) bands (ev): -2.1019 -2.1019 -1.6881 -1.6881 -1.6422 -1.6422 -0.8379 -0.8379 -0.6734 -0.6734 1.4869 1.4869 1.9021 1.9021 1.9697 1.9697 2.9379 2.9379 3.5046 3.5046 5.1294 5.1294 5.9185 5.9185 6.9321 6.9321 7.0136 7.0136 7.4065 7.4065 7.6286 7.6286 8.0735 8.0735 8.0904 8.0904 8.3672 8.3672 9.0557 9.0557 11.9098 11.9098 13.1050 13.1050 13.7636 13.7636 14.5296 14.5296 k = 0.4952 0.2969 0.1225 ( 3248 PWs) bands (ev): -2.1008 -2.1008 -1.6872 -1.6871 -1.6413 -1.6411 -0.8373 -0.8372 -0.6730 -0.6728 1.4880 1.4881 1.9031 1.9032 1.9707 1.9708 2.9385 2.9387 3.5052 3.5052 5.1300 5.1301 5.9188 5.9190 6.9235 6.9244 7.0048 7.0057 7.4048 7.4053 7.6213 7.6236 8.0677 8.0690 8.0881 8.0912 8.3679 8.3681 9.0492 9.0496 11.9164 11.9170 13.1142 13.1147 13.7676 13.7677 14.5361 14.5364 k = 0.4905 0.3052 0.1225 ( 3252 PWs) bands (ev): -2.0977 -2.0975 -1.6843 -1.6841 -1.6385 -1.6382 -0.8356 -0.8355 -0.6714 -0.6710 1.4915 1.4916 1.9061 1.9063 1.9738 1.9739 2.9406 2.9409 3.5070 3.5071 5.1320 5.1323 5.9197 5.9202 6.8990 6.9007 6.9795 6.9813 7.3997 7.4008 7.6018 7.6062 8.0516 8.0541 8.0856 8.0913 8.3699 8.3703 9.0303 9.0311 11.9365 11.9376 13.1419 13.1429 13.7793 13.7797 14.5559 14.5566 k = 0.4857 0.3134 0.1225 ( 3252 PWs) bands (ev): -2.0924 -2.0922 -1.6796 -1.6793 -1.6338 -1.6334 -0.8328 -0.8326 -0.6687 -0.6681 1.4973 1.4975 1.9112 1.9115 1.9790 1.9791 2.9441 2.9445 3.5099 3.5101 5.1353 5.1357 5.9212 5.9219 6.8593 6.8619 6.9387 6.9413 7.3903 7.3919 7.5703 7.5764 8.0267 8.0304 8.0835 8.0913 8.3722 8.3728 8.9993 9.0004 11.9694 11.9711 13.1876 13.1890 13.7984 13.7990 14.5886 14.5895 k = 0.4810 0.3217 0.1225 ( 3254 PWs) bands (ev): -2.0850 -2.0847 -1.6729 -1.6725 -1.6273 -1.6266 -0.8289 -0.8285 -0.6650 -0.6642 1.5055 1.5058 1.9183 1.9187 1.9863 1.9864 2.9491 2.9496 3.5141 3.5143 5.1398 5.1404 5.9231 5.9242 6.8056 6.8089 6.8837 6.8870 7.3748 7.3771 7.5271 7.5343 7.9959 8.0009 8.0820 8.0913 8.3738 8.3744 8.9566 8.9581 12.0141 12.0163 13.2499 13.2517 13.8242 13.8249 14.6334 14.6345 k = 0.4762 0.3299 0.1225 ( 3266 PWs) bands (ev): -2.0755 -2.0751 -1.6644 -1.6639 -1.6188 -1.6180 -0.8239 -0.8234 -0.6602 -0.6592 1.5160 1.5164 1.9274 1.9279 1.9956 1.9957 2.9553 2.9560 3.5193 3.5196 5.1454 5.1462 5.9253 5.9267 6.7391 6.7432 6.8160 6.8199 7.3517 7.3545 7.4724 7.4803 7.9625 7.9685 8.0811 8.0914 8.3737 8.3744 8.9029 8.9046 12.0693 12.0719 13.3271 13.3292 13.8558 13.8567 14.6895 14.6908 k = 0.4714 0.3382 0.1225 ( 3274 PWs) bands (ev): -2.0638 -2.0634 -1.6539 -1.6533 -1.6085 -1.6075 -0.8178 -0.8173 -0.6544 -0.6532 1.5288 1.5293 1.9386 1.9392 2.0069 2.0071 2.9629 2.9637 3.5255 3.5260 5.1519 5.1529 5.9274 5.9292 6.6615 6.6664 6.7370 6.7415 7.3191 7.3224 7.4071 7.4152 7.9296 7.9365 8.0810 8.0918 8.3713 8.3720 8.8390 8.8410 12.1335 12.1364 13.4168 13.4192 13.8927 13.8938 14.7558 14.7573 k = 0.4667 0.3464 0.1225 ( 3276 PWs) bands (ev): -2.0501 -2.0496 -1.6416 -1.6409 -1.5963 -1.5952 -0.8108 -0.8102 -0.6477 -0.6463 1.5440 1.5445 1.9517 1.9524 2.0203 2.0205 2.9717 2.9726 3.5327 3.5332 5.1589 5.1603 5.9290 5.9312 6.5746 6.5802 6.6486 6.6535 7.2755 7.2791 7.3321 7.3402 7.8998 7.9073 8.0814 8.0923 8.3664 8.3671 8.7657 8.7680 12.2051 12.2083 13.5154 13.5181 13.9350 13.9365 14.8311 14.8328 k = 0.4619 0.3547 0.1225 ( 3284 PWs) bands (ev): -2.0343 -2.0338 -1.6274 -1.6267 -1.5823 -1.5810 -0.8028 -0.8021 -0.6400 -0.6384 1.5614 1.5620 1.9667 1.9675 2.0357 2.0359 2.9816 2.9826 3.5408 3.5413 5.1661 5.1678 5.9294 5.9322 6.4802 6.4865 6.5524 6.5578 7.2197 7.2234 7.2495 7.2569 7.8750 7.8829 8.0820 8.0927 8.3588 8.3594 8.6844 8.6867 12.2825 12.2858 13.6176 13.6204 13.9848 13.9866 14.9141 14.9158 k = 0.4571 0.3629 0.1225 ( 3284 PWs) bands (ev): -2.0164 -2.0158 -1.6114 -1.6106 -1.5665 -1.5650 -0.7940 -0.7932 -0.6315 -0.6297 1.5812 1.5818 1.9837 1.9846 2.0530 2.0533 2.9925 2.9937 3.5495 3.5501 5.1729 5.1750 5.9276 5.9310 6.3803 6.3873 6.4503 6.4562 7.1455 7.1504 7.1673 7.1720 7.8560 7.8640 8.0822 8.0925 8.3482 8.3487 8.5963 8.5987 12.3643 12.3677 13.7147 13.7173 14.0470 14.0495 15.0033 15.0049 k = 0.4524 0.3712 0.1225 ( 3288 PWs) bands (ev): -1.9964 -1.9958 -1.5936 -1.5927 -1.5489 -1.5473 -0.7844 -0.7835 -0.6223 -0.6203 1.6032 1.6040 2.0025 2.0035 2.0723 2.0726 3.0044 3.0057 3.5587 3.5594 5.1784 5.1809 5.9219 5.9261 6.2771 6.2848 6.3447 6.3510 7.0501 7.0561 7.0904 7.0933 7.8429 7.8506 8.0809 8.0906 8.3344 8.3352 8.5037 8.5058 12.4489 12.4524 13.7954 13.7976 14.1295 14.1325 15.0966 15.0982 k = 0.4476 0.3794 0.1225 ( 3288 PWs) bands (ev): -1.9744 -1.9737 -1.5740 -1.5730 -1.5295 -1.5277 -0.7741 -0.7732 -0.6125 -0.6102 1.6275 1.6283 2.0231 2.0242 2.0935 2.0938 3.0170 3.0184 3.5682 3.5690 5.1813 5.1843 5.9096 5.9147 6.1731 6.1816 6.2385 6.2452 6.9456 6.9513 7.0108 7.0132 7.8347 7.8421 8.0758 8.0846 8.3159 8.3185 8.4106 8.4119 12.5354 12.5388 13.8526 13.8543 14.2360 14.2395 15.1919 15.1935 k = 0.4429 0.3876 0.1225 ( 3298 PWs) bands (ev): -1.9504 -1.9496 -1.5527 -1.5516 -1.5085 -1.5065 -0.7633 -0.7623 -0.6020 -0.5995 1.6541 1.6549 2.0454 2.0466 2.1165 2.1168 3.0301 3.0316 3.5778 3.5786 5.1798 5.1834 5.8853 5.8915 6.0717 6.0809 6.1368 6.1435 6.8358 6.8410 6.9291 6.9312 7.8307 7.8376 8.0612 8.0687 8.2846 8.2944 8.3265 8.3330 12.6226 12.6259 13.8878 13.8890 14.3614 14.3652 15.2864 15.2878 k = 0.4381 0.3959 0.1225 ( 3302 PWs) bands (ev): -1.9243 -1.9235 -1.5297 -1.5285 -1.4857 -1.4836 -0.7520 -0.7509 -0.5912 -0.5885 1.6828 1.6838 2.0694 2.0707 2.1414 2.1417 3.0436 3.0453 3.5872 3.5881 5.1712 5.1754 5.8401 5.8471 5.9770 5.9869 6.0478 6.0534 6.7222 6.7269 6.8482 6.8505 7.8294 7.8361 8.0245 8.0304 8.2296 8.2410 8.2868 8.2938 12.7099 12.7131 13.9062 13.9071 14.4968 14.5007 15.3768 15.3781 k = 0.4333 0.4041 0.1225 ( 3298 PWs) bands (ev): -1.8962 -1.8953 -1.5051 -1.5038 -1.4614 -1.4591 -0.7404 -0.7393 -0.5801 -0.5771 1.7138 1.7148 2.0949 2.0963 2.1680 2.1683 3.0572 3.0590 3.5959 3.5969 5.1522 5.1568 5.7669 5.7741 5.8934 5.9040 5.9778 5.9812 6.6061 6.6103 6.7720 6.7749 7.8290 7.8357 7.9542 7.9587 8.1896 8.1995 8.2636 8.2686 12.7967 12.7997 13.9122 13.9129 14.6338 14.6376 15.4598 15.4609 k = 0.4286 0.4124 0.1225 ( 3306 PWs) bands (ev): -1.8662 -1.8653 -1.4789 -1.4775 -1.4355 -1.4330 -0.7288 -0.7275 -0.5689 -0.5657 1.7469 1.7479 2.1219 2.1233 2.1962 2.1966 3.0706 3.0725 3.6037 3.6048 5.1190 5.1239 5.6719 5.6792 5.8246 5.8356 5.9188 5.9211 6.4886 6.4923 6.7044 6.7081 7.8152 7.8237 7.8704 7.8738 8.1695 8.1778 8.2423 8.2459 12.8826 12.8853 13.9086 13.9092 14.7641 14.7678 15.5325 15.5334 k = 0.4238 0.4206 0.1225 ( 3302 PWs) bands (ev): -1.8343 -1.8333 -1.4511 -1.4496 -1.4080 -1.4054 -0.7171 -0.7158 -0.5577 -0.5543 1.7821 1.7832 2.1502 2.1517 2.2261 2.2265 3.0834 3.0854 3.6100 3.6111 5.0691 5.0739 5.5669 5.5745 5.7739 5.7848 5.8576 5.8607 6.3712 6.3744 6.6487 6.6531 7.7259 7.7319 7.8513 7.8530 8.1555 8.1614 8.2250 8.2265 12.9672 12.9698 13.8975 13.8981 14.8797 14.8830 15.5929 15.5937 k = 0.4190 0.4289 0.1225 ( 3298 PWs) bands (ev): -1.8005 -1.7994 -1.4218 -1.4202 -1.3792 -1.3764 -0.7058 -0.7044 -0.5468 -0.5431 1.8194 1.8206 2.1797 2.1813 2.2575 2.2579 3.0954 3.0975 3.6142 3.6154 5.0026 5.0070 5.4594 5.4671 5.7413 5.7514 5.7891 5.7925 6.2551 6.2578 6.6068 6.6118 7.6069 7.6123 7.8530 7.8547 8.1383 8.1414 8.2139 8.2150 13.0507 13.0529 13.8806 13.8813 14.9724 14.9753 15.6383 15.6393 k = 0.4143 0.4371 0.1225 ( 3302 PWs) bands (ev): -1.7648 -1.7636 -1.3912 -1.3895 -1.3489 -1.3460 -0.6949 -0.6935 -0.5365 -0.5325 1.8588 1.8600 2.2101 2.2118 2.2902 2.2907 3.1061 3.1082 3.6157 3.6169 4.9223 4.9261 5.3532 5.3610 5.7005 5.7064 5.7343 5.7415 6.1422 6.1444 6.5788 6.5841 7.4818 7.4870 7.8559 7.8569 8.1153 8.1165 8.2087 8.2117 13.1328 13.1348 13.8593 13.8600 15.0367 15.0391 15.6657 15.6668 k = 0.4095 0.4454 0.1225 ( 3306 PWs) bands (ev): -1.7273 -1.7260 -1.3593 -1.3575 -1.3174 -1.3143 -0.6848 -0.6833 -0.5269 -0.5227 1.9000 1.9013 2.2413 2.2431 2.3241 2.3246 3.1151 3.1172 3.6137 3.6149 4.8325 4.8357 5.2505 5.2585 5.6132 5.6193 5.7272 5.7345 6.0353 6.0371 6.5630 6.5684 7.3540 7.3591 7.8563 7.8567 8.0892 8.0900 8.2085 8.2123 13.2136 13.2153 13.8349 13.8358 15.0715 15.0737 15.6731 15.6742 k = 0.4048 0.4536 0.1225 ( 3298 PWs) bands (ev): -1.6880 -1.6866 -1.3262 -1.3243 -1.2847 -1.2815 -0.6757 -0.6741 -0.5182 -0.5138 1.9432 1.9446 2.2730 2.2748 2.3591 2.3597 3.1218 3.1241 3.6075 3.6087 4.7372 4.7401 5.1529 5.1610 5.5163 5.5227 5.7262 5.7313 5.9405 5.9427 6.5572 6.5625 7.2250 7.2300 7.8505 7.8523 8.0643 8.0656 8.2108 8.2149 13.2933 13.2947 13.8088 13.8097 15.0800 15.0821 15.6614 15.6625 k = 0.4000 0.4619 0.1225 ( 3302 PWs) bands (ev): -1.6470 -1.6455 -1.2919 -1.2900 -1.2510 -1.2476 -0.6679 -0.6662 -0.5110 -0.5063 1.9882 1.9896 2.3049 2.3069 2.3950 2.3955 3.1261 3.1283 3.5962 3.5973 4.6398 4.6424 5.0616 5.0697 5.4149 5.4215 5.7100 5.7108 5.8744 5.8797 6.5589 6.5642 7.0959 7.1008 7.8361 7.8395 8.0447 8.0468 8.2143 8.2183 13.3718 13.3730 13.7819 13.7829 15.0672 15.0694 15.6334 15.6344 k = 0.3952 0.4701 0.1225 ( 3298 PWs) bands (ev): -1.6043 -1.6028 -1.2567 -1.2547 -1.2163 -1.2127 -0.6617 -0.6600 -0.5054 -0.5005 2.0349 2.0363 2.3367 2.3388 2.4314 2.4319 3.1274 3.1296 3.5791 3.5801 4.5429 4.5453 4.9774 4.9854 5.3121 5.3190 5.6544 5.6569 5.8578 5.8656 6.5661 6.5712 6.9677 6.9724 7.8111 7.8159 8.0333 8.0361 8.2181 8.2220 13.4492 13.4501 13.7553 13.7563 15.0382 15.0405 15.5922 15.5933 k = 0.3905 0.4784 0.1225 ( 3300 PWs) bands (ev): -1.5600 -1.5584 -1.2207 -1.2186 -1.1808 -1.1771 -0.6575 -0.6557 -0.5019 -0.4967 2.0831 2.0846 2.3681 2.3702 2.4679 2.4685 3.1257 3.1279 3.5557 3.5566 4.4481 4.4504 4.9003 4.9082 5.2112 5.2182 5.5796 5.5831 5.8744 5.8826 6.5765 6.5817 6.8416 6.8459 7.7761 7.7819 8.0302 8.0333 8.2218 8.2254 13.5250 13.5255 13.7303 13.7314 14.9971 14.9995 15.5411 15.5421 k = 0.3857 0.4866 0.1225 ( 3300 PWs) bands (ev): -1.5141 -1.5125 -1.1841 -1.1818 -1.1447 -1.1409 -0.6556 -0.6538 -0.5008 -0.4954 2.1327 2.1342 2.3985 2.4007 2.5043 2.5049 3.1211 3.1231 3.5258 3.5265 4.3566 4.3587 4.8297 4.8373 5.1154 5.1227 5.5041 5.5080 5.9049 5.9128 6.5867 6.5926 6.7203 6.7237 7.7332 7.7396 8.0334 8.0366 8.2251 8.2284 13.5972 13.5973 13.7098 13.7108 14.9473 14.9497 15.4826 15.4837 k = 0.3810 0.4949 0.1225 ( 3304 PWs) bands (ev): -1.4669 -1.4651 -1.1470 -1.1446 -1.1082 -1.1042 -0.6564 -0.6545 -0.5025 -0.4969 2.1835 2.1850 2.4275 2.4298 2.5398 2.5405 3.1138 3.1158 3.4895 3.4901 4.2691 4.2709 4.7637 4.7709 5.0289 5.0365 5.4343 5.4385 5.9423 5.9500 6.5679 6.5767 6.6318 6.6331 7.6851 7.6917 8.0409 8.0439 8.2276 8.2307 13.6475 13.6485 13.7118 13.7129 14.8913 14.8939 15.4192 15.4204 k = 0.3762 0.5031 0.1225 ( 3316 PWs) bands (ev): -1.4182 -1.4164 -1.1097 -1.1072 -1.0715 -1.0673 -0.6602 -0.6583 -0.5075 -0.5018 2.2352 2.2367 2.4546 2.4570 2.5739 2.5746 3.1046 3.1064 3.4475 3.4480 4.1858 4.1874 4.6994 4.7061 4.9565 4.9643 5.3720 5.3765 5.9843 5.9917 6.4673 6.4736 6.6307 6.6320 7.6340 7.6405 8.0510 8.0538 8.2292 8.2320 13.6459 13.6471 13.7678 13.7686 14.8313 14.8339 15.3529 15.3542 k = 0.3714 0.5114 0.1225 ( 3316 PWs) bands (ev): -1.3684 -1.3664 -1.0724 -1.0699 -1.0348 -1.0305 -0.6673 -0.6653 -0.5162 -0.5103 2.2874 2.2889 2.4794 2.4819 2.6056 2.6064 3.0944 3.0961 3.4010 3.4016 4.1071 4.1084 4.6343 4.6405 4.9021 4.9100 5.3178 5.3226 6.0297 6.0369 6.3579 6.3633 6.6413 6.6428 7.5816 7.5880 8.0628 8.0652 8.2298 8.2322 13.6312 13.6324 13.8390 13.8397 14.7692 14.7718 15.2855 15.2869 k = 0.3667 0.5196 0.1225 ( 3320 PWs) bands (ev): -1.3174 -1.3153 -1.0356 -1.0330 -0.9985 -0.9940 -0.6780 -0.6759 -0.5290 -0.5229 2.3395 2.3410 2.5014 2.5040 2.6339 2.6348 3.0845 3.0860 3.3514 3.3521 4.0332 4.0343 4.5680 4.5741 4.8670 4.8749 5.2708 5.2759 6.0779 6.0849 6.2540 6.2589 6.6502 6.6515 7.5300 7.5361 8.0755 8.0777 8.2290 8.2311 13.6167 13.6178 13.9118 13.9126 14.7063 14.7089 15.2186 15.2201 k = 0.3619 0.5279 0.1225 ( 3326 PWs) bands (ev): -1.2654 -1.2633 -0.9997 -0.9971 -0.9631 -0.9584 -0.6921 -0.6901 -0.5462 -0.5401 2.3909 2.3923 2.5204 2.5230 2.6578 2.6589 3.0759 3.0774 3.3004 3.3014 3.9650 3.9660 4.5031 4.5092 4.8496 4.8575 5.2297 5.2351 6.1259 6.1317 6.1615 6.1658 6.6545 6.6555 7.4811 7.4866 8.0889 8.0907 8.2267 8.2285 13.6041 13.6052 13.9842 13.9852 14.6441 14.6466 15.1538 15.1553 k = 0.3571 0.5361 0.1225 ( 3322 PWs) bands (ev): -1.2127 -1.2105 -0.9655 -0.9630 -0.9290 -0.9242 -0.7094 -0.7074 -0.5682 -0.5621 2.4403 2.4418 2.5363 2.5390 2.6764 2.6777 3.0698 3.0712 3.2499 3.2510 3.9035 3.9045 4.4430 4.4492 4.8472 4.8550 5.1922 5.1979 6.0708 6.0747 6.1837 6.1906 6.6515 6.6527 7.4369 7.4417 8.1025 8.1041 8.2229 8.2243 13.5939 13.5949 14.0554 14.0566 14.5837 14.5862 15.0926 15.0941 k = 0.3524 0.5444 0.1225 ( 3326 PWs) bands (ev): -1.1595 -1.1572 -0.9345 -0.9323 -0.8972 -0.8923 -0.7285 -0.7265 -0.5951 -0.5890 2.4863 2.4876 2.5494 2.5520 2.6894 2.6908 3.0665 3.0677 3.2018 3.2031 3.8502 3.8514 4.3907 4.3971 4.8572 4.8648 5.1560 5.1620 5.9989 6.0023 6.2382 6.2450 6.6389 6.6410 7.3996 7.4035 8.1164 8.1177 8.2173 8.2184 13.5861 13.5870 14.1242 14.1256 14.5263 14.5287 15.0366 15.0381 k = 0.3476 0.5526 0.1225 ( 3328 PWs) bands (ev): -1.1063 -1.1039 -0.9104 -0.9087 -0.8688 -0.8638 -0.7458 -0.7436 -0.6267 -0.6207 2.5261 2.5275 2.5602 2.5626 2.6969 2.6987 3.0657 3.0668 3.1585 3.1600 3.8068 3.8081 4.3486 4.3551 4.8774 4.8849 5.1187 5.1250 5.9416 5.9446 6.2949 6.3017 6.6153 6.6185 7.3708 7.3737 8.1303 8.1314 8.2099 8.2107 13.5805 13.5814 14.1894 14.1909 14.4728 14.4751 14.9880 14.9892 k = 0.3429 0.5609 0.1225 ( 3332 PWs) bands (ev): -1.0537 -1.0512 -0.9013 -0.9005 -0.8445 -0.8395 -0.7539 -0.7510 -0.6624 -0.6565 2.5549 2.5571 2.5710 2.5721 2.7004 2.7024 3.0665 3.0675 3.1229 3.1245 3.7750 3.7764 4.3180 4.3246 4.9063 4.9136 5.0788 5.0853 5.9009 5.9034 6.3533 6.3600 6.5798 6.5842 7.3512 7.3532 8.1443 8.1452 8.2006 8.2011 13.5769 13.5777 14.2486 14.2503 14.4246 14.4267 14.9491 14.9502 k = 0.3381 0.5691 0.1225 ( 3332 PWs) bands (ev): -1.0037 -1.0007 -0.9155 -0.9142 -0.8248 -0.8197 -0.7471 -0.7431 -0.6995 -0.6941 2.5674 2.5709 2.5833 2.5836 2.7014 2.7036 3.0682 3.0690 3.0986 3.1004 3.7557 3.7573 4.2996 4.3063 4.9419 4.9491 5.0365 5.0431 5.8771 5.8793 6.4132 6.4199 6.5328 6.5383 7.3405 7.3418 8.1579 8.1589 8.1895 8.1901 13.5750 13.5758 14.2981 14.2999 14.3834 14.3853 14.9233 14.9241 k = 0.3333 0.5774 0.1225 ( 3336 PWs) bands (ev): -0.9705 -0.9651 -0.9393 -0.9355 -0.8155 -0.8104 -0.7311 -0.7278 -0.7256 -0.7238 2.5706 2.5741 2.5886 2.5890 2.7014 2.7036 3.0690 3.0697 3.0898 3.0918 3.7494 3.7510 4.2936 4.3003 4.9724 4.9799 5.0035 5.0098 5.8695 5.8716 6.4690 6.4749 6.4831 6.4854 7.3374 7.3383 8.1670 8.1689 8.1802 8.1818 13.5745 13.5752 14.3243 14.3261 14.3607 14.3622 14.9140 14.9147 k = 0.3333 0.5774 0.1225 ( 3336 PWs) bands (ev): -0.9705 -0.9651 -0.9393 -0.9355 -0.8155 -0.8104 -0.7311 -0.7278 -0.7256 -0.7238 2.5706 2.5741 2.5886 2.5890 2.7014 2.7036 3.0690 3.0697 3.0898 3.0918 3.7494 3.7510 4.2936 4.3003 4.9724 4.9799 5.0035 5.0098 5.8695 5.8716 6.4690 6.4749 6.4831 6.4854 7.3374 7.3383 8.1670 8.1689 8.1802 8.1818 13.5745 13.5752 14.3243 14.3261 14.3607 14.3622 14.9140 14.9147 k = 0.3286 0.5691 0.1225 ( 3336 PWs) bands (ev): -1.0045 -1.0016 -0.9194 -0.9191 -0.8219 -0.8176 -0.7371 -0.7328 -0.7071 -0.7020 2.5671 2.5707 2.5836 2.5841 2.7023 2.7045 3.0694 3.0701 3.0973 3.0992 3.7554 3.7570 4.2994 4.3061 4.9393 4.9465 5.0396 5.0463 5.8764 5.8787 6.4081 6.4155 6.5376 6.5440 7.3399 7.3410 8.1567 8.1577 8.1908 8.1913 13.5749 13.5756 14.3072 14.3089 14.3742 14.3758 14.9239 14.9248 k = 0.3238 0.5609 0.1225 ( 3330 PWs) bands (ev): -1.0595 -1.0571 -0.9375 -0.9343 -0.8102 -0.8080 -0.7289 -0.7245 -0.6828 -0.6773 2.5567 2.5602 2.5699 2.5703 2.7079 2.7101 3.0725 3.0733 3.1163 3.1181 3.7724 3.7739 4.3162 4.3229 4.8967 4.9039 5.0927 5.0994 5.8960 5.8985 6.3348 6.3427 6.6010 6.6074 7.3465 7.3478 8.1392 8.1402 8.2063 8.2066 13.5761 13.5769 14.2868 14.2883 14.3848 14.3865 14.9531 14.9545 k = 0.3190 0.5526 0.1225 ( 3326 PWs) bands (ev): -1.1225 -1.1203 -0.9915 -0.9871 -0.7800 -0.7780 -0.7185 -0.7140 -0.6558 -0.6499 2.5411 2.5446 2.5491 2.5494 2.7212 2.7233 3.0791 3.0800 3.1426 3.1443 3.7989 3.8003 4.3429 4.3495 4.8585 4.8657 5.1512 5.1579 5.9262 5.9289 6.2562 6.2644 6.6653 6.6718 7.3552 7.3568 8.1191 8.1203 8.2231 8.2235 13.5779 13.5789 14.2730 14.2743 14.3857 14.3873 14.9994 15.0012 k = 0.3143 0.5444 0.1225 ( 3328 PWs) bands (ev): -1.1918 -1.1896 -1.0594 -1.0549 -0.7521 -0.7502 -0.7109 -0.7063 -0.6239 -0.6178 2.5222 2.5233 2.5254 2.5273 2.7428 2.7447 3.0894 3.0905 3.1725 3.1741 3.8336 3.8349 4.3784 4.3849 4.8279 4.8350 5.2140 5.2207 5.9649 5.9680 6.1741 6.1824 6.7303 6.7367 7.3646 7.3662 8.0969 8.0983 8.2414 8.2420 13.5804 13.5814 14.2666 14.2679 14.3798 14.3813 15.0587 15.0609 k = 0.3095 0.5361 0.1225 ( 3324 PWs) bands (ev): -1.2663 -1.2642 -1.1350 -1.1306 -0.7341 -0.7321 -0.7076 -0.7031 -0.5859 -0.5798 2.4972 2.4975 2.5070 2.5100 2.7719 2.7735 3.1037 3.1048 3.2028 3.2043 3.8753 3.8765 4.4213 4.4278 4.8072 4.8141 5.2807 5.2874 6.0086 6.0133 6.0921 6.0988 6.7957 6.8021 7.3732 7.3749 8.0727 8.0744 8.2616 8.2622 13.5836 13.5848 14.2679 14.2692 14.3707 14.3721 15.1274 15.1299 k = 0.3048 0.5279 0.1225 ( 3324 PWs) bands (ev): -1.3455 -1.3435 -1.2162 -1.2120 -0.7272 -0.7248 -0.7096 -0.7054 -0.5433 -0.5373 2.4734 2.4738 2.4924 2.4954 2.8073 2.8087 3.1212 3.1222 3.2319 3.2333 3.9234 3.9246 4.4705 4.4769 4.7980 4.8047 5.3508 5.3574 5.9941 6.0064 6.0714 6.0739 6.8612 6.8675 7.3800 7.3816 8.0470 8.0489 8.2838 8.2845 13.5881 13.5893 14.2765 14.2778 14.3610 14.3623 15.2026 15.2054 k = 0.3000 0.5196 0.1225 ( 3332 PWs) bands (ev): -1.4289 -1.4270 -1.3019 -1.2979 -0.7304 -0.7274 -0.7174 -0.7136 -0.4984 -0.4925 2.4540 2.4544 2.4822 2.4850 2.8482 2.8493 3.1403 3.1413 3.2599 3.2615 3.9777 3.9789 4.5248 4.5311 4.8013 4.8076 5.4240 5.4306 5.9109 5.9219 6.1269 6.1295 6.9265 6.9327 7.3841 7.3855 8.0199 8.0220 8.3084 8.3091 13.5941 13.5954 14.2919 14.2933 14.3525 14.3537 15.2825 15.2855 k = 0.2952 0.5114 0.1225 ( 3324 PWs) bands (ev): -1.5160 -1.5142 -1.3915 -1.3877 -0.7427 -0.7391 -0.7310 -0.7278 -0.4533 -0.4474 2.4406 2.4411 2.4774 2.4801 2.8935 2.8944 3.1588 3.1598 3.2893 3.2910 4.0378 4.0392 4.5829 4.5892 4.8171 4.8230 5.5000 5.5067 5.8256 5.8364 6.1895 6.1923 6.9910 6.9972 7.3848 7.3861 7.9919 7.9943 8.3354 8.3361 13.6023 13.6037 14.3135 14.3150 14.3466 14.3476 15.3655 15.3688 k = 0.2905 0.5031 0.1225 ( 3308 PWs) bands (ev): -1.6062 -1.6044 -1.4842 -1.4806 -0.7633 -0.7592 -0.7512 -0.7483 -0.4093 -0.4033 2.4343 2.4348 2.4790 2.4815 2.9416 2.9423 3.1747 3.1756 3.3233 3.3252 4.1034 4.1050 4.6435 4.6496 4.8448 4.8504 5.5787 5.5854 5.7425 5.7532 6.2565 6.2594 7.0542 7.0602 7.3819 7.3828 7.9639 7.9664 8.3650 8.3658 13.6132 13.6145 14.3397 14.3414 14.3447 14.3455 15.4507 15.4541 k = 0.2857 0.4949 0.1225 ( 3304 PWs) bands (ev): -1.6991 -1.6974 -1.5795 -1.5762 -0.7913 -0.7871 -0.7781 -0.7754 -0.3674 -0.3613 2.4357 2.4363 2.4877 2.4899 2.9896 2.9900 3.1889 3.1898 3.3645 3.3665 4.1742 4.1759 4.7047 4.7106 4.8835 4.8886 5.6587 5.6645 5.6664 5.6745 6.3271 6.3302 7.1152 7.1210 7.3749 7.3756 7.9365 7.9391 8.3972 8.3979 13.6271 13.6285 14.3440 14.3450 14.3730 14.3746 15.5372 15.5408 k = 0.2810 0.4866 0.1225 ( 3308 PWs) bands (ev): -1.7943 -1.7928 -1.6772 -1.6741 -0.8264 -0.8221 -0.8118 -0.8093 -0.3285 -0.3222 2.4453 2.4460 2.5038 2.5058 3.0314 3.0315 3.2079 3.2086 3.4135 3.4156 4.2494 4.2513 4.7642 4.7699 4.9316 4.9364 5.5917 5.6023 5.7431 5.7498 6.4009 6.4041 7.1727 7.1781 7.3640 7.3644 7.9111 7.9137 8.4318 8.4325 13.6446 13.6459 14.3485 14.3493 14.4091 14.4107 15.6242 15.6278 k = 0.2762 0.4784 0.1225 ( 3300 PWs) bands (ev): -1.8914 -1.8900 -1.7765 -1.7737 -0.8679 -0.8638 -0.8520 -0.8496 -0.2931 -0.2867 2.4631 2.4638 2.5274 2.5292 3.0588 3.0592 3.2414 3.2419 3.4699 3.4720 4.3282 4.3300 4.8185 4.8237 4.9879 4.9924 5.5314 5.5416 5.8284 5.8351 6.4775 6.4808 7.2250 7.2299 7.3494 7.3496 7.8895 7.8920 8.4686 8.4693 13.6658 13.6671 14.3568 14.3576 14.4486 14.4503 15.7108 15.7144 k = 0.2714 0.4701 0.1225 ( 3296 PWs) bands (ev): -1.9901 -1.9887 -1.8774 -1.8747 -0.9155 -0.9115 -0.8986 -0.8962 -0.2619 -0.2553 2.4889 2.4897 2.5586 2.5600 3.0697 3.0704 3.2935 3.2940 3.5328 3.5349 4.4090 4.4109 4.8626 4.8674 5.0509 5.0554 5.4883 5.4979 5.9155 5.9223 6.5567 6.5601 7.2691 7.2729 7.3320 7.3324 7.8741 7.8761 8.5074 8.5081 13.6912 13.6924 14.3689 14.3696 14.4910 14.4927 15.7960 15.7996 k = 0.2667 0.4619 0.1225 ( 3288 PWs) bands (ev): -2.0899 -2.0886 -1.9792 -1.9768 -0.9687 -0.9649 -0.9508 -0.9485 -0.2353 -0.2286 2.5225 2.5234 2.5971 2.5982 3.0701 3.0711 3.3600 3.3607 3.6015 3.6036 4.4899 4.4916 4.8911 4.8959 5.1199 5.1243 5.4693 5.4781 6.0042 6.0110 6.6381 6.6415 7.2935 7.2943 7.3209 7.3234 7.8676 7.8691 8.5479 8.5486 13.7208 13.7219 14.3848 14.3855 14.5357 14.5374 15.8784 15.8819 k = 0.2619 0.4536 0.1225 ( 3286 PWs) bands (ev): -2.1907 -2.1895 -2.0819 -2.0796 -1.0269 -1.0233 -1.0084 -1.0060 -0.2140 -0.2070 2.5635 2.5643 2.6424 2.6433 3.0664 3.0676 3.4360 3.4369 3.6755 3.6775 4.5664 4.5679 4.9033 4.9090 5.1939 5.1985 5.4789 5.4867 6.0944 6.1012 6.7214 6.7249 7.2767 7.2780 7.3347 7.3374 7.8728 7.8734 8.5898 8.5905 13.7547 13.7557 14.4043 14.4050 14.5821 14.5838 15.9564 15.9596 k = 0.2571 0.4454 0.1225 ( 3274 PWs) bands (ev): -2.2920 -2.2909 -2.1850 -2.1829 -1.0897 -1.0862 -1.0706 -1.0683 -0.1980 -0.1910 2.6110 2.6119 2.6942 2.6948 3.0626 3.0639 3.5188 3.5199 3.7543 3.7563 4.6289 4.6301 4.9106 4.9173 5.2722 5.2769 5.5155 5.5224 6.1857 6.1926 6.8064 6.8100 7.2501 7.2516 7.3430 7.3446 7.8907 7.8913 8.6326 8.6334 13.7930 13.7939 14.4273 14.4280 14.6296 14.6313 16.0273 16.0301 k = 0.2524 0.4371 0.1225 ( 3270 PWs) bands (ev): -2.3936 -2.3926 -2.2883 -2.2864 -1.1563 -1.1530 -1.1369 -1.1346 -0.1879 -0.1807 2.6645 2.6654 2.7517 2.7521 3.0610 3.0624 3.6068 3.6081 3.8375 3.8394 4.6599 4.6625 4.9365 4.9431 5.3540 5.3587 5.5727 5.5791 6.2780 6.2849 6.8928 6.8965 7.2206 7.2225 7.3388 7.3401 7.9206 7.9222 8.6762 8.6770 13.8356 13.8364 14.4535 14.4543 14.6778 14.6795 16.0880 16.0901 k = 0.2476 0.4289 0.1225 ( 3274 PWs) bands (ev): -2.4953 -2.4944 -2.3916 -2.3898 -1.2264 -1.2233 -1.2067 -1.2045 -0.1837 -0.1764 2.7226 2.7236 2.8142 2.8144 3.0635 3.0648 3.6993 3.7008 3.9247 3.9266 4.6531 4.6577 4.9944 5.0002 5.4384 5.4432 5.6442 5.6501 6.3707 6.3776 6.9802 6.9841 7.1899 7.1919 7.3242 7.3261 7.9611 7.9634 8.7202 8.7210 13.8825 13.8832 14.4827 14.4835 14.7262 14.7278 16.1349 16.1361 k = 0.2429 0.4206 0.1225 ( 3284 PWs) bands (ev): -2.5969 -2.5960 -2.4946 -2.4930 -1.2994 -1.2964 -1.2796 -1.2774 -0.1856 -0.1782 2.7835 2.7846 2.8803 2.8806 3.0723 3.0735 3.7957 3.7974 4.0157 4.0176 4.6232 4.6293 5.0751 5.0803 5.5248 5.5295 5.7252 5.7308 6.4633 6.4703 7.0673 7.0718 7.1596 7.1613 7.3028 7.3054 8.0092 8.0123 8.7643 8.7651 13.9335 13.9342 14.5146 14.5156 14.7744 14.7759 16.1655 16.1658 k = 0.2381 0.4124 0.1225 ( 3282 PWs) bands (ev): -2.6982 -2.6974 -2.5972 -2.5957 -1.3748 -1.3720 -1.3549 -1.3528 -0.1935 -0.1860 2.8439 2.8450 2.9486 2.9489 3.0912 3.0921 3.8956 3.8975 4.1102 4.1120 4.5852 4.5922 5.1675 5.1723 5.6124 5.6170 5.8125 5.8179 6.5549 6.5618 7.1231 7.1293 7.1586 7.1607 7.2805 7.2832 8.0628 8.0663 8.8082 8.8091 13.9885 13.9893 14.5492 14.5502 14.8219 14.8234 16.1795 16.1802 k = 0.2333 0.4041 0.1225 ( 3282 PWs) bands (ev): -2.7989 -2.7982 -2.6992 -2.6978 -1.4521 -1.4494 -1.4323 -1.4302 -0.2071 -0.1996 2.8971 2.8982 3.0171 3.0177 3.1263 3.1272 3.9988 4.0008 4.2076 4.2095 4.5476 4.5552 5.2659 5.2704 5.7004 5.7048 5.9043 5.9093 6.6436 6.6504 7.1004 7.1043 7.2126 7.2175 7.2847 7.2875 8.1198 8.1235 8.8518 8.8526 14.0474 14.0482 14.5860 14.5870 14.8685 14.8699 16.1804 16.1817 k = 0.2286 0.3959 0.1225 ( 3282 PWs) bands (ev): -2.8990 -2.8983 -2.8004 -2.7992 -1.5309 -1.5284 -1.5112 -1.5091 -0.2263 -0.2187 2.9351 2.9362 3.0877 3.0883 3.1821 3.1834 4.1050 4.1071 4.3070 4.3090 4.5160 4.5238 5.3676 5.3721 5.7879 5.7921 5.9989 6.0038 6.7254 6.7320 7.0824 7.0863 7.2008 7.2066 7.3581 7.3614 8.1788 8.1828 8.8946 8.8954 14.1100 14.1108 14.6248 14.6259 14.9138 14.9151 16.1726 16.1743 k = 0.2238 0.3876 0.1225 ( 3286 PWs) bands (ev): -2.9982 -2.9976 -2.9007 -2.8996 -1.6109 -1.6085 -1.5913 -1.5893 -0.2506 -0.2431 2.9553 2.9566 3.1644 3.1648 3.2548 3.2565 4.2137 4.2159 4.4035 4.4062 4.4985 4.5058 5.4713 5.4757 5.8740 5.8780 6.0954 6.0999 6.7923 6.7985 7.0809 7.0850 7.1759 7.1823 7.4477 7.4511 8.2388 8.2429 8.9366 8.9374 14.1760 14.1768 14.6654 14.6666 14.9576 14.9587 16.1597 16.1616 k = 0.2190 0.3794 0.1225 ( 3282 PWs) bands (ev): -3.0965 -3.0959 -3.0000 -2.9989 -1.6916 -1.6893 -1.6722 -1.6703 -0.2798 -0.2724 2.9615 2.9631 3.2477 3.2480 3.3377 3.3397 4.3240 4.3261 4.4551 4.4617 4.5410 4.5428 5.5759 5.5802 5.9575 5.9612 6.1925 6.1967 6.8331 6.8390 7.1070 7.1110 7.1536 7.1611 7.5401 7.5435 8.2991 8.3033 8.9775 8.9784 14.2452 14.2461 14.7075 14.7088 14.9996 15.0007 16.1444 16.1464 k = 0.2143 0.3712 0.1225 ( 3282 PWs) bands (ev): -3.1936 -3.1931 -3.0981 -3.0971 -1.7729 -1.7707 -1.7536 -1.7517 -0.3134 -0.3060 2.9571 2.9588 3.3365 3.3368 3.4266 3.4288 4.4251 4.4284 4.4743 4.4797 4.6420 4.6424 5.6806 5.6849 6.0370 6.0403 6.2889 6.2927 6.8471 6.8529 7.1278 7.1318 7.1731 7.1805 7.6335 7.6370 8.3591 8.3634 9.0172 9.0181 14.3173 14.3183 14.7510 14.7523 15.0399 15.0408 16.1285 16.1306 k = 0.2095 0.3629 0.1225 ( 3268 PWs) bands (ev): -3.2896 -3.2891 -3.1949 -3.1940 -1.8543 -1.8522 -1.8352 -1.8334 -0.3509 -0.3436 2.9435 2.9454 3.4292 3.4297 3.5193 3.5217 4.4606 4.4684 4.5658 4.5688 4.7523 4.7528 5.7844 5.7887 6.1108 6.1136 6.3827 6.3860 6.8480 6.8541 7.1174 7.1233 7.2503 7.2574 7.7275 7.7309 8.4185 8.4227 9.0555 9.0564 14.3920 14.3932 14.7956 14.7970 15.0784 15.0791 16.1132 16.1154 k = 0.2048 0.3547 0.1225 ( 3264 PWs) bands (ev): -3.3842 -3.3838 -3.2903 -3.2895 -1.9356 -1.9336 -1.9168 -1.9150 -0.3918 -0.3846 2.9217 2.9238 3.5250 3.5256 3.6145 3.6171 4.4860 4.4941 4.6824 4.6854 4.8664 4.8669 5.8862 5.8905 6.1771 6.1794 6.4706 6.4734 6.8503 6.8567 7.1148 7.1213 7.3396 7.3467 7.8216 7.8251 8.4767 8.4809 9.0922 9.0932 14.4689 14.4702 14.8413 14.8427 15.1153 15.1159 16.0994 16.1016 k = 0.2000 0.3464 0.1225 ( 3268 PWs) bands (ev): -3.4775 -3.4771 -3.3843 -3.3836 -2.0167 -2.0148 -1.9981 -1.9964 -0.4357 -0.4286 2.8922 2.8945 3.6230 3.6237 3.7114 3.7142 4.5223 4.5303 4.8032 4.8061 4.9831 4.9836 5.9843 5.9886 6.2342 6.2358 6.5470 6.5501 6.8655 6.8725 7.1236 7.1304 7.4342 7.4414 7.9157 7.9192 8.5335 8.5377 9.1273 9.1283 14.5476 14.5490 14.8877 14.8892 15.1509 15.1512 16.0874 16.0898 k = 0.1952 0.3382 0.1225 ( 3268 PWs) bands (ev): -3.5692 -3.5689 -3.4768 -3.4761 -2.0973 -2.0955 -2.0789 -2.0772 -0.4822 -0.4752 2.8559 2.8583 3.7225 3.7234 3.8091 3.8120 4.5704 4.5782 4.9264 4.9294 5.1021 5.1025 6.0765 6.0807 6.2807 6.2817 6.6071 6.6116 6.9034 6.9109 7.1458 7.1527 7.5315 7.5388 8.0097 8.0131 8.5888 8.5928 9.1608 9.1618 14.6275 14.6291 14.9349 14.9364 15.1855 15.1857 16.0778 16.0802 k = 0.1905 0.3299 0.1225 ( 3264 PWs) bands (ev): -3.6594 -3.6591 -3.5676 -3.5670 -2.1773 -2.1755 -2.1591 -2.1574 -0.5307 -0.5239 2.8136 2.8162 3.8228 3.8240 3.9069 3.9100 4.6297 4.6373 5.0517 5.0547 5.2230 5.2234 6.1596 6.1636 6.3164 6.3171 6.6539 6.6597 6.9661 6.9740 7.1819 7.1889 7.6301 7.6375 8.1032 8.1067 8.6423 8.6462 9.1924 9.1934 14.7079 14.7096 14.9827 14.9843 15.2199 15.2200 16.0704 16.0730 k = 0.1857 0.3217 0.1225 ( 3268 PWs) bands (ev): -3.7480 -3.7477 -3.6568 -3.6562 -2.2564 -2.2547 -2.2384 -2.2368 -0.5810 -0.5743 2.7663 2.7690 3.9232 3.9246 4.0039 4.0073 4.6992 4.7066 5.1788 5.1818 5.3456 5.3459 6.2300 6.2337 6.3421 6.3435 6.6988 6.7051 7.0472 7.0551 7.2314 7.2383 7.7295 7.7368 8.1962 8.1997 8.6938 8.6976 9.2221 9.2233 14.7880 14.7898 15.0311 15.0327 15.2547 15.2550 16.0651 16.0681 k = 0.1810 0.3134 0.1225 ( 3264 PWs) bands (ev): -3.8348 -3.8346 -3.7442 -3.7437 -2.3345 -2.3328 -2.3167 -2.3151 -0.6325 -0.6260 2.7149 2.7178 4.0228 4.0246 4.0995 4.1030 4.7778 4.7850 5.3076 5.3106 5.4695 5.4697 6.2854 6.2886 6.3605 6.3627 6.7527 6.7589 7.1389 7.1466 7.2925 7.2993 7.8290 7.8363 8.2885 8.2919 8.7432 8.7469 9.2500 9.2513 14.8666 14.8685 15.0800 15.0816 15.2914 15.2919 16.0582 16.0627 k = 0.1762 0.3052 0.1225 ( 3256 PWs) bands (ev): -3.9199 -3.9197 -3.8298 -3.8293 -2.4115 -2.4099 -2.3939 -2.3924 -0.6851 -0.6787 2.6605 2.6635 4.1207 4.1228 4.1925 4.1962 4.8644 4.8715 5.4378 5.4408 5.5944 5.5947 6.3265 6.3296 6.3747 6.3778 6.8202 6.8260 7.2361 7.2437 7.3631 7.3697 7.9283 7.9357 8.3800 8.3833 8.7905 8.7940 9.2761 9.2774 14.9424 14.9443 15.1294 15.1310 15.3314 15.3321 16.0405 16.0466 k = 0.1714 0.2969 0.1225 ( 3260 PWs) bands (ev): -4.0032 -4.0030 -3.9136 -3.9132 -2.4873 -2.4858 -2.4699 -2.4684 -0.7384 -0.7322 2.6038 2.6069 4.2159 4.2183 4.2821 4.2859 4.9582 4.9651 5.5692 5.5722 5.7196 5.7201 6.3580 6.3612 6.3878 6.3916 6.9003 6.9055 7.3361 7.3435 7.4409 7.4473 8.0272 8.0345 8.4704 8.4736 8.8355 8.8388 9.3003 9.3017 15.0138 15.0157 15.1792 15.1808 15.3763 15.3771 16.0209 16.0272 k = 0.1667 0.2887 0.1225 ( 3256 PWs) bands (ev): -4.0846 -4.0844 -3.9954 -3.9950 -2.5618 -2.5603 -2.5446 -2.5431 -0.7921 -0.7860 2.5455 2.5486 4.3071 4.3099 4.3671 4.3711 5.0582 5.0650 5.7017 5.7046 5.8444 5.8453 6.3857 6.3895 6.4033 6.4077 6.9895 6.9943 7.4373 7.4445 7.5241 7.5303 8.1254 8.1327 8.5595 8.5627 8.8782 8.8813 9.3226 9.3242 15.0793 15.0811 15.2294 15.2309 15.4279 15.4287 16.0042 16.0107 k = 0.1619 0.2804 0.1225 ( 3250 PWs) bands (ev): -4.1641 -4.1639 -4.0753 -4.0750 -2.6348 -2.6334 -2.6178 -2.6164 -0.8459 -0.8401 2.4861 2.4893 4.3932 4.3962 4.4464 4.4506 5.1638 5.1705 5.8348 5.8377 5.9678 5.9692 6.4139 6.4186 6.4255 6.4300 7.0845 7.0889 7.5387 7.5459 7.6109 7.6169 8.2227 8.2299 8.6473 8.6504 8.9185 8.9215 9.3433 9.3450 15.1382 15.1396 15.2800 15.2815 15.4868 15.4875 15.9910 15.9977 k = 0.1571 0.2722 0.1225 ( 3254 PWs) bands (ev): -4.2416 -4.2414 -4.1532 -4.1529 -2.7063 -2.7049 -2.6895 -2.6881 -0.8997 -0.8940 2.4263 2.4295 4.4727 4.4760 4.5190 4.5233 5.2743 5.2809 5.9683 5.9711 6.0877 6.0898 6.4437 6.4493 6.4615 6.4656 7.1830 7.1871 7.6397 7.6468 7.7001 7.7059 8.3189 8.3261 8.7334 8.7365 8.9566 8.9594 9.3622 9.3640 15.1905 15.1915 15.3312 15.3326 15.5527 15.5533 15.9817 15.9885 k = 0.1524 0.2639 0.1225 ( 3254 PWs) bands (ev): -4.3171 -4.3169 -4.2291 -4.2288 -2.7763 -2.7749 -2.7596 -2.7582 -0.9532 -0.9477 2.3663 2.3695 4.5445 4.5481 4.5838 4.5882 5.3895 5.3960 6.1015 6.1042 6.2016 6.2046 6.4797 6.4859 6.5140 6.5178 7.2831 7.2870 7.7399 7.7469 7.7907 7.7963 8.4138 8.4209 8.8178 8.8207 8.9925 8.9950 9.3795 9.3815 15.2372 15.2379 15.3833 15.3846 15.6240 15.6246 15.9764 15.9834 k = 0.1476 0.2557 0.1225 ( 3262 PWs) bands (ev): -4.3906 -4.3905 -4.3029 -4.3027 -2.8445 -2.8432 -2.8280 -2.8267 -1.0063 -1.0009 2.3066 2.3098 4.6074 4.6113 4.6401 4.6445 5.5088 5.5151 6.2335 6.2360 6.3067 6.3107 6.5261 6.5325 6.5855 6.5888 7.3839 7.3876 7.8389 7.8457 7.8818 7.8872 8.5072 8.5143 8.9000 8.9027 9.0263 9.0286 9.3953 9.3975 15.2801 15.2806 15.4363 15.4374 15.6987 15.6993 15.9753 15.9826 k = 0.1429 0.2474 0.1225 ( 3264 PWs) bands (ev): -4.4620 -4.4619 -4.3747 -4.3745 -2.9111 -2.9098 -2.8947 -2.8934 -1.0587 -1.0535 2.2475 2.2507 4.6609 4.6649 4.6874 4.6918 5.6319 5.6382 6.3625 6.3650 6.4027 6.4077 6.5856 6.5919 6.6772 6.6799 7.4844 7.4880 7.9362 7.9430 7.9729 7.9782 8.5990 8.6060 8.9793 8.9817 9.0589 9.0607 9.4097 9.4122 15.3207 15.3214 15.4902 15.4913 15.7744 15.7753 15.9790 15.9864 k = 0.1381 0.2392 0.1225 ( 3260 PWs) bands (ev): -4.5313 -4.5312 -4.4443 -4.4441 -2.9758 -2.9746 -2.9596 -2.9584 -1.1103 -1.1052 2.1891 2.1923 4.7046 4.7086 4.7257 4.7300 5.7586 5.7647 6.4837 6.4874 6.4955 6.5001 6.6610 6.6669 6.7857 6.7878 7.5841 7.5875 8.0317 8.0384 8.0634 8.0685 8.6890 8.6959 9.0527 9.0540 9.0938 9.0946 9.4230 9.4256 15.3604 15.3616 15.5453 15.5461 15.8486 15.8496 15.9884 15.9960 k = 0.1333 0.2309 0.1225 ( 3272 PWs) bands (ev): -4.5984 -4.5984 -4.5117 -4.5116 -3.0388 -3.0376 -3.0226 -3.0215 -1.1609 -1.1561 2.1317 2.1348 4.7385 4.7425 4.7552 4.7593 5.8884 5.8944 6.5805 6.5869 6.6039 6.6072 6.7549 6.7599 6.9056 6.9072 7.6825 7.6858 8.1250 8.1316 8.1528 8.1577 8.7770 8.7837 9.1017 9.1034 9.1467 9.1488 9.4353 9.4381 15.4006 15.4021 15.6013 15.6020 15.9165 15.9177 16.0068 16.0140 k = 0.1286 0.2227 0.1225 ( 3270 PWs) bands (ev): -4.6634 -4.6634 -4.5770 -4.5769 -3.0998 -3.0987 -3.0838 -3.0826 -1.2106 -1.2059 2.0755 2.0786 4.7633 4.7671 4.7764 4.7804 6.0212 6.0270 6.6742 6.6807 6.7110 6.7156 6.8658 6.8700 7.0322 7.0335 7.7792 7.7823 8.2160 8.2224 8.2407 8.2455 8.8628 8.8695 9.1307 9.1326 9.2158 9.2181 9.4468 9.4499 15.4420 15.4439 15.6584 15.6590 15.9681 15.9709 16.0426 16.0479 k = 0.1238 0.2144 0.1225 ( 3270 PWs) bands (ev): -4.7263 -4.7262 -4.6401 -4.6399 -3.1589 -3.1578 -3.1430 -3.1419 -1.2591 -1.2546 2.0207 2.0236 4.7796 4.7833 4.7903 4.7941 6.1565 6.1622 6.7726 6.7791 6.8157 6.8211 6.9880 6.9916 7.1629 7.1638 7.8738 7.8769 8.3043 8.3105 8.3269 8.3316 8.9463 8.9528 9.1549 9.1567 9.2854 9.2874 9.4579 9.4614 15.4852 15.4875 15.7167 15.7171 16.0009 16.0061 16.0965 16.0999 k = 0.1190 0.2062 0.1225 ( 3260 PWs) bands (ev): -4.7869 -4.7868 -4.7009 -4.7008 -3.2160 -3.2150 -3.2002 -3.1992 -1.3063 -1.3020 1.9672 1.9702 4.7886 4.7920 4.7979 4.8014 6.2939 6.2995 6.8765 6.8830 6.9219 6.9278 7.1159 7.1191 7.2958 7.2964 7.9662 7.9691 8.3898 8.3958 8.4110 8.4156 9.0271 9.0335 9.1767 9.1785 9.3525 9.3539 9.4693 9.4734 15.5306 15.5333 15.7759 15.7764 16.0276 16.0340 16.1549 16.1576 k = 0.1143 0.1979 0.1225 ( 3260 PWs) bands (ev): -4.8453 -4.8452 -4.7595 -4.7594 -3.2711 -3.2702 -3.2554 -3.2544 -1.3522 -1.3480 1.9154 1.9182 4.7913 4.7945 4.8000 4.8033 6.4332 6.4387 6.9858 6.9921 7.0316 7.0377 7.2460 7.2490 7.4297 7.4301 8.0561 8.0589 8.4722 8.4779 8.4927 8.4973 9.1048 9.1114 9.1970 9.1990 9.4146 9.4153 9.4829 9.4881 15.5787 15.5817 15.8362 15.8369 16.0546 16.0617 16.2103 16.2128 k = 0.1095 0.1897 0.1225 ( 3248 PWs) bands (ev): -4.9014 -4.9013 -4.8158 -4.8158 -3.3242 -3.3233 -3.3086 -3.3076 -1.3967 -1.3927 1.8652 1.8679 4.7888 4.7917 4.7974 4.8005 6.5740 6.5793 7.0998 7.1059 7.1451 7.1513 7.3766 7.3793 7.5638 7.5640 8.1432 8.1460 8.5513 8.5567 8.5719 8.5764 9.1775 9.1849 9.2170 9.2204 9.4620 9.4644 9.5074 9.5141 15.6294 15.6329 15.8974 15.8984 16.0835 16.0911 16.2606 16.2631 k = 0.1048 0.1815 0.1225 ( 3244 PWs) bands (ev): -4.9552 -4.9552 -4.8699 -4.8698 -3.3752 -3.3743 -3.3597 -3.3588 -1.4396 -1.4358 1.8167 1.8194 4.7822 4.7849 4.7911 4.7939 6.7158 6.7209 7.2177 7.2236 7.2622 7.2683 7.5063 7.5089 7.6974 7.6975 8.2275 8.2301 8.6269 8.6320 8.6483 8.6528 9.2258 9.2301 9.2596 9.2629 9.4868 9.4890 9.5546 9.5601 15.6830 15.6867 15.9594 15.9607 16.1144 16.1225 16.3053 16.3075 k = 0.1000 0.1732 0.1225 ( 3244 PWs) bands (ev): -5.0068 -5.0068 -4.9216 -4.9216 -3.4241 -3.4232 -3.4087 -3.4078 -1.4811 -1.4774 1.7700 1.7726 4.7725 4.7750 4.7817 4.7843 6.8582 6.8632 7.3387 7.3444 7.3822 7.3883 7.6344 7.6368 7.8297 7.8300 8.3087 8.3112 8.6988 8.7037 8.7219 8.7263 9.2463 9.2484 9.3247 9.3281 9.5033 9.5054 9.6088 9.6132 15.7392 15.7433 16.0218 16.0235 16.1467 16.1553 16.3447 16.3464 k = 0.0952 0.1650 0.1225 ( 3248 PWs) bands (ev): -5.0561 -5.0560 -4.9711 -4.9710 -3.4709 -3.4701 -3.4555 -3.4547 -1.5209 -1.5174 1.7252 1.7277 4.7603 4.7626 4.7699 4.7723 7.0008 7.0056 7.4621 7.4675 7.5045 7.5105 7.7600 7.7622 7.9602 7.9608 8.3867 8.3891 8.7669 8.7715 8.7923 8.7967 9.2632 9.2651 9.3868 9.3898 9.5207 9.5228 9.6620 9.6658 15.7978 15.8022 16.0841 16.0863 16.1797 16.1888 16.3792 16.3805 k = 0.0905 0.1567 0.1225 ( 3252 PWs) bands (ev): -5.1030 -5.1030 -5.0182 -5.0181 -3.5155 -3.5147 -3.5002 -3.4994 -1.5590 -1.5557 1.6824 1.6847 4.7464 4.7485 4.7563 4.7585 7.1432 7.1479 7.5869 7.5921 7.6284 7.6341 7.8824 7.8845 8.0883 8.0891 8.4614 8.4638 8.8311 8.8354 8.8595 8.8638 9.2796 9.2816 9.4408 9.4440 9.5434 9.5459 9.7127 9.7161 15.8583 15.8629 16.1452 16.1480 16.2124 16.2218 16.4098 16.4114 k = 0.0857 0.1485 0.1225 ( 3256 PWs) bands (ev): -5.1477 -5.1476 -5.0629 -5.0629 -3.5580 -3.5572 -3.5427 -3.5420 -1.5954 -1.5923 1.6415 1.6437 4.7312 4.7331 4.7415 4.7435 7.2849 7.2894 7.7126 7.7174 7.7530 7.7586 8.0009 8.0028 8.2130 8.2142 8.5327 8.5350 8.8912 8.8952 8.9232 8.9275 9.2964 9.2987 9.4825 9.4868 9.5757 9.5795 9.7604 9.7635 15.9196 15.9245 16.2015 16.2057 16.2458 16.2541 16.4386 16.4413 k = 0.0810 0.1402 0.1225 ( 3246 PWs) bands (ev): -5.1899 -5.1899 -5.1053 -5.1053 -3.5982 -3.5975 -3.5830 -3.5823 -1.6301 -1.6272 1.6026 1.6048 4.7153 4.7171 4.7258 4.7276 7.4254 7.4297 7.8382 7.8428 7.8778 7.8831 8.1148 8.1166 8.3336 8.3352 8.6004 8.6028 8.9473 8.9511 8.9833 8.9875 9.3144 9.3171 9.5127 9.5180 9.6185 9.6230 9.8051 9.8080 15.9801 15.9851 16.2420 16.2503 16.2881 16.2919 16.4686 16.4722 k = 0.0762 0.1320 0.1225 ( 3244 PWs) bands (ev): -5.2298 -5.2298 -5.1454 -5.1453 -3.6362 -3.6356 -3.6211 -3.6204 -1.6629 -1.6602 1.5658 1.5679 4.6990 4.7006 4.7097 4.7114 7.5642 7.5684 7.9631 7.9674 8.0019 8.0070 8.2233 8.2250 8.4489 8.4509 8.6644 8.6669 8.9995 9.0031 9.0394 9.0435 9.3345 9.3376 9.5375 9.5432 9.6663 9.6708 9.8466 9.8493 16.0363 16.0413 16.2651 16.2758 16.3396 16.3413 16.5018 16.5060 k = 0.0714 0.1237 0.1225 ( 3236 PWs) bands (ev): -5.2674 -5.2673 -5.1830 -5.1830 -3.6720 -3.6714 -3.6570 -3.6563 -1.6940 -1.6914 1.5311 1.5330 4.6826 4.6841 4.6935 4.6950 7.7007 7.7047 8.0865 8.0905 8.1247 8.1295 8.3257 8.3272 8.5576 8.5601 8.7247 8.7273 9.0479 9.0513 9.0912 9.0952 9.3579 9.3615 9.5613 9.5671 9.7146 9.7189 9.8849 9.8873 16.0815 16.0861 16.2843 16.2952 16.3905 16.3922 16.5386 16.5430 k = 0.0667 0.1155 0.1225 ( 3236 PWs) bands (ev): -5.3025 -5.3025 -5.2183 -5.2183 -3.7056 -3.7050 -3.6906 -3.6900 -1.7231 -1.7207 1.4985 1.5003 4.6664 4.6677 4.6774 4.6788 7.8343 7.8381 8.2075 8.2112 8.2454 8.2499 8.4214 8.4226 8.6582 8.6611 8.7809 8.7838 9.0930 9.0961 9.1382 9.1422 9.3859 9.3900 9.5865 9.5922 9.7614 9.7653 9.9198 9.9221 16.1062 16.1096 16.3116 16.3214 16.4366 16.4383 16.5780 16.5823 k = 0.0619 0.1072 0.1225 ( 3232 PWs) bands (ev): -5.3353 -5.3353 -5.2512 -5.2511 -3.7369 -3.7363 -3.7219 -3.7214 -1.7503 -1.7481 1.4681 1.4698 4.6506 4.6518 4.6617 4.6629 7.9644 7.9680 8.3254 8.3286 8.3633 8.3675 8.5099 8.5110 8.7488 8.7523 8.8331 8.8361 9.1350 9.1378 9.1802 9.1841 9.4198 9.4244 9.6139 9.6194 9.8057 9.8092 9.9514 9.9535 16.1056 16.1075 16.3512 16.3593 16.4751 16.4767 16.6188 16.6228 k = 0.0571 0.0990 0.1225 ( 3220 PWs) bands (ev): -5.3657 -5.3656 -5.2816 -5.2816 -3.7659 -3.7654 -3.7510 -3.7505 -1.7756 -1.7736 1.4398 1.4414 4.6354 4.6364 4.6466 4.6477 8.0903 8.0937 8.4388 8.4416 8.4776 8.4815 8.5914 8.5922 8.8276 8.8315 8.8814 8.8846 9.1743 9.1769 9.2172 9.2209 9.4606 9.4655 9.6440 9.6493 9.8470 9.8501 9.9797 9.9816 16.0844 16.0852 16.3961 16.4023 16.5040 16.5054 16.6608 16.6645 k = 0.0524 0.0907 0.1225 ( 3210 PWs) bands (ev): -5.3937 -5.3936 -5.3097 -5.3097 -3.7926 -3.7922 -3.7778 -3.7773 -1.7990 -1.7971 1.4138 1.4152 4.6209 4.6219 4.6322 4.6332 8.2111 8.2144 8.5460 8.5482 8.5877 8.5911 8.6666 8.6673 8.8920 8.8962 8.9272 8.9304 9.2112 9.2134 9.2496 9.2532 9.5081 9.5133 9.6770 9.6818 9.8851 9.8878 10.0045 10.0063 16.0494 16.0497 16.4361 16.4403 16.5218 16.5229 16.7055 16.7093 k = 0.0476 0.0825 0.1225 ( 3210 PWs) bands (ev): -5.4192 -5.4192 -5.3353 -5.3353 -3.8171 -3.8167 -3.8022 -3.8018 -1.8204 -1.8186 1.3899 1.3912 4.6074 4.6082 4.6187 4.6195 8.3262 8.3292 8.6434 8.6448 8.6925 8.6955 8.7383 8.7395 8.9402 8.9443 8.9718 8.9752 9.2455 9.2474 9.2783 9.2817 9.5614 9.5666 9.7124 9.7168 9.9198 9.9222 10.0260 10.0276 16.0056 16.0060 16.4630 16.4654 16.5278 16.5287 16.7557 16.7599 k = 0.0429 0.0742 0.1225 ( 3210 PWs) bands (ev): -5.4424 -5.4423 -5.3585 -5.3585 -3.8392 -3.8389 -3.8244 -3.8240 -1.8398 -1.8382 1.3683 1.3695 4.5948 4.5955 4.6061 4.6069 8.4346 8.4374 8.7248 8.7255 8.7911 8.7936 8.8124 8.8144 8.9759 8.9797 9.0126 9.0160 9.2769 9.2784 9.3037 9.3069 9.6187 9.6236 9.7496 9.7535 9.9510 9.9531 10.0440 10.0454 15.9564 15.9570 16.4732 16.4742 16.5227 16.5232 16.8128 16.8177 k = 0.0381 0.0660 0.1225 ( 3202 PWs) bands (ev): -5.4631 -5.4631 -5.3793 -5.3793 -3.8591 -3.8587 -3.8443 -3.8439 -1.8571 -1.8557 1.3489 1.3500 4.5833 4.5840 4.5947 4.5954 8.5354 8.5380 8.7864 8.7872 8.8823 8.8844 8.8922 8.8945 9.0045 9.0078 9.0465 9.0496 9.3048 9.3059 9.3261 9.3290 9.6777 9.6823 9.7878 9.7911 9.9787 9.9804 10.0587 10.0600 15.9047 15.9054 16.4680 16.4682 16.5081 16.5084 16.8760 16.8810 k = 0.0333 0.0577 0.1225 ( 3214 PWs) bands (ev): -5.4814 -5.4814 -5.3977 -5.3977 -3.8766 -3.8763 -3.8618 -3.8615 -1.8725 -1.8713 1.3318 1.3327 4.5730 4.5736 4.5844 4.5850 8.6277 8.6300 8.8330 8.8339 8.9659 8.9677 8.9707 8.9724 9.0301 9.0326 9.0739 9.0765 9.3284 9.3292 9.3454 9.3480 9.7361 9.7403 9.8259 9.8286 10.0027 10.0043 10.0700 10.0711 15.8528 15.8536 16.4510 16.4515 16.4864 16.4867 16.9422 16.9471 k = 0.0286 0.0495 0.1225 ( 3218 PWs) bands (ev): -5.4973 -5.4972 -5.4136 -5.4136 -3.8918 -3.8915 -3.8770 -3.8768 -1.8858 -1.8848 1.3170 1.3178 4.5640 4.5645 4.5754 4.5759 8.7105 8.7125 8.8695 8.8703 9.0268 9.0286 9.0418 9.0430 9.0673 9.0676 9.0980 9.0999 9.3474 9.3481 9.3611 9.3634 9.7919 9.7956 9.8626 9.8647 10.0231 10.0246 10.0780 10.0790 15.8028 15.8036 16.4274 16.4281 16.4605 16.4610 17.0083 17.0125 k = 0.0238 0.0412 0.1225 ( 3216 PWs) bands (ev): -5.5107 -5.5107 -5.4271 -5.4270 -3.9047 -3.9044 -3.8899 -3.8897 -1.8971 -1.8962 1.3044 1.3051 4.5563 4.5566 4.5677 4.5681 8.7828 8.7845 8.8984 8.8991 9.0491 9.0514 9.0940 9.0957 9.1221 9.1233 9.1358 9.1378 9.3614 9.3621 9.3728 9.3747 9.8433 9.8465 9.8966 9.8982 10.0398 10.0413 10.0829 10.0838 15.7568 15.7575 16.4012 16.4020 16.4335 16.4340 17.0710 17.0740 k = 0.0190 0.0330 0.1225 ( 3222 PWs) bands (ev): -5.5217 -5.5217 -5.4381 -5.4381 -3.9152 -3.9150 -3.9005 -3.9003 -1.9063 -1.9056 1.2941 1.2947 4.5499 4.5502 4.5613 4.5616 8.8435 8.8449 8.9211 8.9216 9.0619 9.0638 9.1122 9.1141 9.1803 9.1816 9.1911 9.1926 9.3702 9.3710 9.3798 9.3812 9.8889 9.8915 9.9268 9.9280 10.0528 10.0543 10.0848 10.0855 15.7165 15.7172 16.3756 16.3764 16.4078 16.4083 17.1255 17.1263 k = 0.0143 0.0247 0.1225 ( 3220 PWs) bands (ev): -5.5302 -5.5302 -5.4467 -5.4467 -3.9234 -3.9232 -3.9086 -3.9085 -1.9135 -1.9130 1.2861 1.2865 4.5449 4.5451 4.5563 4.5566 8.8916 8.8927 8.9384 8.9388 9.0708 9.0723 9.1220 9.1233 9.2326 9.2336 9.2413 9.2423 9.3736 9.3744 9.3815 9.3825 9.9273 9.9294 9.9520 9.9529 10.0624 10.0638 10.0841 10.0847 15.6835 15.6840 16.3533 16.3539 16.3856 16.3860 17.1602 17.1626 k = 0.0095 0.0165 0.1225 ( 3228 PWs) bands (ev): -5.5364 -5.5363 -5.4528 -5.4528 -3.9292 -3.9291 -3.9145 -3.9144 -1.9186 -1.9182 1.2805 1.2807 4.5413 4.5415 4.5528 4.5529 8.9257 8.9265 8.9514 8.9516 9.0770 9.0779 9.1281 9.1290 9.2759 9.2766 9.2830 9.2835 9.3712 9.3718 9.3779 9.3784 9.9569 9.9584 9.9717 9.9723 10.0682 10.0694 10.0819 10.0823 15.6590 15.6594 16.3361 16.3365 16.3686 16.3689 17.1694 17.1728 k = 0.0048 0.0082 0.1225 ( 3224 PWs) bands (ev): -5.5400 -5.5400 -5.4565 -5.4565 -3.9327 -3.9327 -3.9180 -3.9180 -1.9216 -1.9214 1.2771 1.2772 4.5392 4.5393 4.5506 4.5507 8.9444 8.9447 8.9613 8.9614 9.0806 9.0811 9.1316 9.1320 9.3079 9.3083 9.3161 9.3163 9.3621 9.3624 9.3702 9.3703 9.9752 9.9759 9.9858 9.9860 10.0701 10.0707 10.0804 10.0805 15.6440 15.6442 16.3253 16.3255 16.3580 16.3581 17.1677 17.1696 k = 0.0000 0.0000 0.1225 ( 3230 PWs) bands (ev): -5.5412 -5.5412 -5.4577 -5.4577 -3.9338 -3.9338 -3.9192 -3.9192 -1.9226 -1.9226 1.2760 1.2760 4.5385 4.5385 4.5499 4.5499 8.9496 8.9496 8.9657 8.9657 9.0820 9.0820 9.1329 9.1329 9.3216 9.3216 9.3361 9.3361 9.3502 9.3502 9.3647 9.3647 9.9812 9.9812 9.9916 9.9916 10.0700 10.0700 10.0802 10.0802 15.6390 15.6390 16.3216 16.3216 16.3544 16.3544 17.1669 17.1669 k = 0.5000 0.2887 0.1225 ( 3252 PWs) bands (ev): -2.1019 -2.1019 -1.6881 -1.6881 -1.6422 -1.6422 -0.8379 -0.8379 -0.6734 -0.6734 1.4869 1.4869 1.9021 1.9021 1.9697 1.9697 2.9379 2.9379 3.5046 3.5046 5.1294 5.1294 5.9185 5.9185 6.9321 6.9321 7.0136 7.0136 7.4065 7.4065 7.6286 7.6286 8.0735 8.0735 8.0904 8.0904 8.3672 8.3672 9.0557 9.0557 11.9098 11.9098 13.1050 13.1050 13.7636 13.7636 14.5296 14.5296 k = 0.5000 0.2887 0.1131 ( 3252 PWs) bands (ev): -2.1017 -2.1016 -1.7003 -1.6987 -1.6301 -1.6285 -0.8432 -0.8429 -0.6701 -0.6700 1.4863 1.4864 1.8837 1.8840 1.9942 1.9946 2.9320 2.9321 3.4999 3.5002 5.1355 5.1361 5.9244 5.9246 6.9264 6.9265 7.0210 7.0210 7.3813 7.3819 7.6400 7.6400 8.0268 8.0269 8.1371 8.1371 8.3722 8.3728 9.0537 9.0537 11.9126 11.9129 13.1048 13.1050 13.7577 13.7577 14.5297 14.5301 k = 0.5000 0.2887 0.1036 ( 3260 PWs) bands (ev): -2.1012 -2.1010 -1.7210 -1.7192 -1.6055 -1.6035 -0.8578 -0.8572 -0.6613 -0.6610 1.4844 1.4846 1.8562 1.8565 2.0413 2.0418 2.9147 2.9150 3.4861 3.4866 5.1545 5.1555 5.9418 5.9423 6.9135 6.9135 7.0392 7.0392 7.3194 7.3205 7.6613 7.6614 7.9730 7.9730 8.1914 8.1914 8.3879 8.3890 9.0478 9.0478 11.9211 11.9217 13.1044 13.1048 13.7406 13.7406 14.5302 14.5309 k = 0.5000 0.2887 0.0942 ( 3258 PWs) bands (ev): -2.1003 -2.1000 -1.7423 -1.7405 -1.5771 -1.5751 -0.8792 -0.8784 -0.6491 -0.6488 1.4804 1.4807 1.8347 1.8350 2.0959 2.0965 2.8873 2.8876 3.4634 3.4641 5.1857 5.1872 5.9700 5.9707 6.8982 6.8983 7.0631 7.0632 7.2381 7.2396 7.6765 7.6766 7.9193 7.9194 8.2457 8.2457 8.4136 8.4151 9.0380 9.0380 11.9349 11.9357 13.1039 13.1046 13.7139 13.7139 14.5300 14.5311 k = 0.5000 0.2887 0.0848 ( 3266 PWs) bands (ev): -2.0990 -2.0987 -1.7627 -1.7609 -1.5468 -1.5447 -0.9054 -0.9044 -0.6357 -0.6354 1.4735 1.4740 1.8228 1.8230 2.1551 2.1557 2.8512 2.8515 3.4323 3.4330 5.2285 5.2303 6.0075 6.0082 6.8830 6.8830 7.0905 7.0906 7.1459 7.1478 7.6793 7.6793 7.8661 7.8661 8.2997 8.2997 8.4478 8.4494 9.0245 9.0245 11.9531 11.9541 13.1035 13.1044 13.6798 13.6799 14.5279 14.5292 k = 0.5000 0.2887 0.0754 ( 3266 PWs) bands (ev): -2.0975 -2.0972 -1.7817 -1.7799 -1.5151 -1.5130 -0.9349 -0.9338 -0.6222 -0.6220 1.4636 1.4641 1.8211 1.8213 2.2175 2.2181 2.8083 2.8086 3.3933 3.3940 5.2818 5.2837 6.0525 6.0532 6.8686 6.8687 7.0471 7.0492 7.1207 7.1208 7.6689 7.6690 7.8135 7.8135 8.3533 8.3533 8.4879 8.4896 9.0072 9.0072 11.9747 11.9758 13.1036 13.1047 13.6410 13.6410 14.5227 14.5242 k = 0.5000 0.2887 0.0659 ( 3266 PWs) bands (ev): -2.0958 -2.0954 -1.7989 -1.7973 -1.4822 -1.4800 -0.9668 -0.9656 -0.6095 -0.6093 1.4510 1.4515 1.8293 1.8294 2.2821 2.2827 2.7607 2.7610 3.3474 3.3481 5.3440 5.3460 6.1028 6.1033 6.8556 6.8557 6.9449 6.9475 7.1528 7.1529 7.6471 7.6475 7.7616 7.7616 8.4063 8.4063 8.5310 8.5326 8.9864 8.9864 11.9985 11.9997 13.1043 13.1055 13.5996 13.5997 14.5140 14.5156 k = 0.5000 0.2887 0.0565 ( 3274 PWs) bands (ev): -2.0939 -2.0935 -1.8143 -1.8129 -1.4482 -1.4461 -1.0005 -0.9992 -0.5981 -0.5979 1.4370 1.4375 1.8457 1.8457 2.3481 2.3487 2.7107 2.7110 3.2957 3.2964 5.4136 5.4155 6.1560 6.1561 6.8411 6.8419 6.8445 6.8466 7.1868 7.1868 7.6170 7.6175 7.7104 7.7105 8.4584 8.4584 8.5741 8.5755 8.9621 8.9621 12.0231 12.0243 13.1059 13.1072 13.5580 13.5582 14.5021 14.5036 k = 0.5000 0.2887 0.0471 ( 3274 PWs) bands (ev): -2.0919 -2.0916 -1.8277 -1.8264 -1.4134 -1.4114 -1.0355 -1.0341 -0.5881 -0.5879 1.4229 1.4233 1.8680 1.8681 2.4140 2.4145 2.6608 2.6610 3.2400 3.2405 5.4882 5.4901 6.2090 6.2094 6.7386 6.7420 6.8345 6.8345 7.2225 7.2226 7.5818 7.5825 7.6602 7.6602 8.5095 8.5095 8.6146 8.6158 8.9347 8.9347 12.0471 12.0483 13.1084 13.1097 13.5182 13.5184 14.4880 14.4894 k = 0.5000 0.2887 0.0377 ( 3286 PWs) bands (ev): -2.0901 -2.0898 -1.8390 -1.8379 -1.3780 -1.3760 -1.0714 -1.0699 -0.5798 -0.5796 1.4099 1.4102 1.8938 1.8939 2.4770 2.4775 2.6149 2.6151 3.1821 3.1824 5.5653 5.5669 6.2585 6.2598 6.6396 6.6437 6.8264 6.8264 7.2599 7.2600 7.5452 7.5460 7.6110 7.6110 8.5591 8.5592 8.6504 8.6514 8.9043 8.9043 12.0690 12.0701 13.1119 13.1131 13.4819 13.4822 14.4732 14.4744 k = 0.5000 0.2887 0.0283 ( 3276 PWs) bands (ev): -2.0885 -2.0882 -1.8479 -1.8470 -1.3422 -1.3402 -1.1077 -1.1062 -0.5732 -0.5731 1.3989 1.3991 1.9200 1.9201 2.5239 2.5241 2.5872 2.5872 3.1247 3.1249 5.6407 5.6421 6.3008 6.3033 6.5487 6.5537 6.8201 6.8201 7.2989 7.2989 7.5109 7.5116 7.5628 7.5628 8.6071 8.6071 8.6799 8.6807 8.8714 8.8714 12.0878 12.0887 13.1159 13.1170 13.4510 13.4513 14.4596 14.4606 k = 0.5000 0.2887 0.0188 ( 3284 PWs) bands (ev): -2.0872 -2.0870 -1.8543 -1.8537 -1.3066 -1.3048 -1.1436 -1.1421 -0.5684 -0.5684 1.3906 1.3908 1.9432 1.9432 2.5165 2.5165 2.6148 2.6150 3.0722 3.0724 5.7081 5.7092 6.3305 6.3347 6.4739 6.4798 6.8156 6.8156 7.3393 7.3393 7.4826 7.4833 7.5158 7.5159 8.6524 8.6525 8.7019 8.7024 8.8368 8.8368 12.1020 12.1027 13.1199 13.1207 13.4272 13.4274 14.4486 14.4493 k = 0.5000 0.2887 0.0094 ( 3292 PWs) bands (ev): -2.0863 -2.0862 -1.8582 -1.8579 -1.2734 -1.2719 -1.1769 -1.1755 -0.5656 -0.5655 1.3855 1.3855 1.9594 1.9594 2.4969 2.4969 2.6523 2.6525 3.0325 3.0326 5.7577 5.7582 6.3415 6.3455 6.4300 6.4350 6.8129 6.8129 7.3809 7.3810 7.4632 7.4639 7.4707 7.4710 8.6926 8.6927 8.7155 8.7157 8.8030 8.8031 12.1110 12.1113 13.1229 13.1234 13.4120 13.4122 14.4415 14.4419 k = 0.5000 0.2887-0.0000 ( 3292 PWs) bands (ev): -2.0860 -2.0860 -1.8594 -1.8594 -1.2542 -1.2542 -1.1948 -1.1948 -0.5646 -0.5646 1.3838 1.3838 1.9653 1.9653 2.4893 2.4893 2.6678 2.6678 3.0170 3.0170 5.7766 5.7766 6.3414 6.3414 6.4215 6.4215 6.8120 6.8120 7.4181 7.4181 7.4313 7.4313 7.4582 7.4582 8.7138 8.7138 8.7204 8.7204 8.7838 8.7838 12.1142 12.1142 13.1242 13.1242 13.4069 13.4069 14.4392 14.4392 k = 0.3333 0.5774-0.0000 ( 3306 PWs) bands (ev): -0.9760 -0.9706 -0.9456 -0.9420 -0.8156 -0.8104 -0.7230 -0.7185 -0.7175 -0.7148 2.4240 2.4276 2.4363 2.4365 2.7505 2.7528 3.4044 3.4054 3.4285 3.4293 3.4878 3.4881 4.5422 4.5501 4.5770 4.5831 4.8306 4.8373 5.3830 5.3833 7.1173 7.1204 7.1235 7.1237 7.5504 7.5509 7.7007 7.7039 7.7228 7.7235 13.1368 13.1377 14.6849 14.6867 14.7333 14.7347 15.7839 15.7843 k = 0.3333 0.5774 0.0094 ( 3306 PWs) bands (ev): -0.9759 -0.9705 -0.9456 -0.9419 -0.8156 -0.8104 -0.7231 -0.7187 -0.7176 -0.7150 2.4256 2.4292 2.4379 2.4381 2.7497 2.7519 3.3994 3.4003 3.4232 3.4240 3.4907 3.4911 4.5487 4.5565 4.5833 4.5894 4.8195 4.8261 5.3941 5.3943 7.1032 7.1065 7.1091 7.1095 7.5477 7.5482 7.7132 7.7163 7.7348 7.7355 13.1417 13.1426 14.6786 14.6804 14.7267 14.7281 15.7693 15.7697 k = 0.3333 0.5774 0.0188 ( 3297 PWs) bands (ev): -0.9756 -0.9703 -0.9453 -0.9417 -0.8156 -0.8104 -0.7234 -0.7191 -0.7180 -0.7153 2.4303 2.4339 2.4427 2.4429 2.7473 2.7496 3.3846 3.3855 3.4078 3.4088 3.4994 3.4998 4.5676 4.5753 4.6016 4.6077 4.7889 4.7953 5.4245 5.4246 7.0640 7.0680 7.0694 7.0705 7.5395 7.5400 7.7472 7.7501 7.7674 7.7682 13.1563 13.1572 14.6602 14.6620 14.7074 14.7088 15.7272 15.7276 k = 0.3333 0.5774 0.0283 ( 3297 PWs) bands (ev): -0.9753 -0.9699 -0.9449 -0.9412 -0.8156 -0.8104 -0.7240 -0.7197 -0.7185 -0.7159 2.4381 2.4417 2.4507 2.4509 2.7435 2.7458 3.3614 3.3621 3.3837 3.3848 3.5136 3.5139 4.5974 4.6051 4.6307 4.6367 4.7444 4.7504 5.4684 5.4689 7.0072 7.0122 7.0122 7.0143 7.5263 7.5269 7.7948 7.7976 7.8136 7.8144 13.1801 13.1810 14.6315 14.6333 14.6774 14.6788 15.6625 15.6627 k = 0.3333 0.5774 0.0377 ( 3300 PWs) bands (ev): -0.9748 -0.9694 -0.9443 -0.9406 -0.8156 -0.8104 -0.7247 -0.7205 -0.7192 -0.7167 2.4487 2.4523 2.4616 2.4617 2.7387 2.7410 3.3313 3.3319 3.3527 3.3539 3.5328 3.5331 4.6361 4.6436 4.6686 4.6746 4.6911 4.6970 5.5204 5.5212 6.9398 6.9446 6.9460 6.9478 7.5086 7.5092 7.8492 7.8519 7.8667 7.8676 13.2125 13.2135 14.5950 14.5969 14.6395 14.6409 15.5809 15.5809 k = 0.3333 0.5774 0.0471 ( 3300 PWs) bands (ev): -0.9742 -0.9688 -0.9436 -0.9400 -0.8155 -0.8104 -0.7255 -0.7215 -0.7201 -0.7177 2.4619 2.4654 2.4751 2.4752 2.7332 2.7354 3.2964 3.2968 3.3169 3.3183 3.5564 3.5566 4.6334 4.6390 4.6812 4.6887 4.7130 4.7189 5.5761 5.5772 6.8672 6.8720 6.8746 6.8763 7.4872 7.4879 7.9054 7.9079 7.9217 7.9228 13.2525 13.2534 14.5537 14.5556 14.5966 14.5980 15.4881 15.4882 k = 0.3333 0.5774 0.0565 ( 3306 PWs) bands (ev): -0.9736 -0.9682 -0.9429 -0.9392 -0.8155 -0.8104 -0.7265 -0.7225 -0.7210 -0.7187 2.4772 2.4808 2.4909 2.4909 2.7273 2.7295 3.2585 3.2588 3.2783 3.2798 3.5836 3.5836 4.5739 4.5795 4.7304 4.7378 4.7616 4.7674 5.6324 5.6337 6.7932 6.7982 6.8018 6.8035 7.4632 7.4639 7.9600 7.9624 7.9755 7.9767 13.2987 13.2996 14.5104 14.5122 14.5518 14.5532 15.3895 15.3897 k = 0.3333 0.5774 0.0659 ( 3300 PWs) bands (ev): -0.9729 -0.9675 -0.9421 -0.9384 -0.8155 -0.8104 -0.7275 -0.7236 -0.7220 -0.7198 2.4941 2.4976 2.5084 2.5084 2.7214 2.7237 3.2196 3.2197 3.2388 3.2405 3.6133 3.6135 4.5150 4.5207 4.7809 4.7883 4.8117 4.8176 5.6868 5.6884 6.7210 6.7261 6.7306 6.7324 7.4378 7.4385 8.0108 8.0131 8.0257 8.0269 13.3494 13.3502 14.4676 14.4695 14.5077 14.5091 15.2897 15.2900 k = 0.3333 0.5774 0.0754 ( 3294 PWs) bands (ev): -0.9723 -0.9669 -0.9414 -0.9376 -0.8155 -0.8103 -0.7284 -0.7247 -0.7229 -0.7208 2.5118 2.5154 2.5267 2.5268 2.7159 2.7181 3.1813 3.1815 3.2004 3.2022 3.6443 3.6447 4.4586 4.4643 4.8304 4.8378 4.8610 4.8670 5.7372 5.7390 6.6531 6.6584 6.6638 6.6657 7.4123 7.4131 8.0562 8.0584 8.0705 8.0719 13.4021 13.4029 14.4277 14.4296 14.4667 14.4681 15.1930 15.1934 k = 0.3333 0.5774 0.0848 ( 3303 PWs) bands (ev): -0.9717 -0.9663 -0.9407 -0.9369 -0.8155 -0.8103 -0.7293 -0.7257 -0.7238 -0.7218 2.5294 2.5329 2.5450 2.5452 2.7110 2.7132 3.1456 3.1459 3.1649 3.1668 3.6752 3.6758 4.4065 4.4124 4.8762 4.8837 4.9068 4.9128 5.7818 5.7837 6.5922 6.5977 6.6040 6.6060 7.3883 7.3892 8.0949 8.0970 8.1088 8.1102 13.4540 13.4548 14.3925 14.3943 14.4305 14.4320 15.1037 15.1042 k = 0.3333 0.5774 0.0942 ( 3324 PWs) bands (ev): -0.9712 -0.9658 -0.9401 -0.9363 -0.8155 -0.8104 -0.7300 -0.7266 -0.7246 -0.7227 2.5455 2.5491 2.5620 2.5623 2.7069 2.7091 3.1145 3.1150 3.1343 3.1362 3.7038 3.7048 4.3611 4.3673 4.9157 4.9232 4.9464 4.9526 5.8187 5.8207 6.5410 6.5466 6.5536 6.5557 7.3675 7.3683 8.1259 8.1279 8.1395 8.1410 13.5013 13.5021 14.3635 14.3653 14.4008 14.4023 15.0264 15.0270 k = 0.3333 0.5774 0.1036 ( 3333 PWs) bands (ev): -0.9708 -0.9654 -0.9397 -0.9358 -0.8155 -0.8104 -0.7306 -0.7273 -0.7252 -0.7233 2.5587 2.5623 2.5759 2.5763 2.7039 2.7061 3.0901 3.0907 3.1104 3.1123 3.7276 3.7289 4.3252 4.3316 4.9463 4.9538 4.9772 4.9834 5.8464 5.8485 6.5019 6.5077 6.5153 6.5175 7.3512 7.3521 8.1486 8.1505 8.1620 8.1635 13.5400 13.5407 14.3420 14.3438 14.3788 14.3803 14.9661 14.9667 k = 0.3333 0.5774 0.1131 ( 3333 PWs) bands (ev): -0.9706 -0.9651 -0.9394 -0.9355 -0.8155 -0.8104 -0.7310 -0.7277 -0.7255 -0.7237 2.5675 2.5710 2.5853 2.5857 2.7020 2.7043 3.0744 3.0751 3.0951 3.0970 3.7437 3.7452 4.3018 4.3084 4.9657 4.9733 4.9968 5.0031 5.8636 5.8658 6.4774 6.4833 6.4913 6.4936 7.3409 7.3418 8.1624 8.1643 8.1757 8.1772 13.5655 13.5662 14.3287 14.3306 14.3653 14.3667 14.9274 14.9281 k = 0.3333 0.5774 0.1225 ( 3336 PWs) bands (ev): -0.9705 -0.9651 -0.9393 -0.9355 -0.8155 -0.8104 -0.7311 -0.7278 -0.7256 -0.7238 2.5706 2.5741 2.5886 2.5890 2.7014 2.7036 3.0690 3.0697 3.0898 3.0918 3.7494 3.7510 4.2936 4.3003 4.9724 4.9799 5.0035 5.0098 5.8695 5.8716 6.4690 6.4749 6.4831 6.4854 7.3374 7.3383 8.1670 8.1689 8.1802 8.1818 13.5745 13.5752 14.3243 14.3261 14.3607 14.3622 14.9140 14.9147 Writing output data file SiC.save init_run : 0.35s CPU 1.22s WALL ( 1 calls) electrons : 323.25s CPU 326.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.31s WALL ( 1 calls) potinit : 0.05s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 323.25s CPU 326.70s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.03s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 378 calls) cegterg : 301.42s CPU 304.22s WALL ( 801 calls) Called by sum_band: Called by *egterg: h_psi : 176.06s CPU 183.27s WALL ( 12795 calls) s_psi : 9.44s CPU 9.71s WALL ( 12795 calls) g_psi : 0.34s CPU 0.39s WALL ( 11616 calls) cdiaghg : 96.27s CPU 92.09s WALL ( 11994 calls) cegterg:over : 15.69s CPU 14.21s WALL ( 11616 calls) cegterg:upda : 3.29s CPU 6.41s WALL ( 11616 calls) cegterg:last : 3.92s CPU 4.74s WALL ( 2175 calls) Called by h_psi: h_psi:vloc : 161.01s CPU 165.65s WALL ( 12795 calls) h_psi:vnl : 14.94s CPU 17.25s WALL ( 12795 calls) add_vuspsi : 5.20s CPU 7.32s WALL ( 12795 calls) General routines calbec : 9.66s CPU 9.81s WALL ( 12795 calls) fft : 0.03s CPU 0.09s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 157.11s CPU 156.37s WALL ( 1282900 calls) interpolate : 0.01s CPU 0.02s WALL ( 4 calls) davcio : 0.05s CPU 0.11s WALL ( 756 calls) Parallel routines fft_scatter : 127.31s CPU 98.47s WALL ( 1282923 calls) PWSCF : 5m47.23s CPU 6m20.52s WALL This run was terminated on: 4:34:10 28Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=