Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:24:43 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./ScAgSe2.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 21 6 2209 789 125 Max 42 22 8 2220 805 130 Sum 1495 757 223 79671 28725 4609 bravais-lattice index = 14 lattice parameter (alat) = 7.3282 a.u. unit-cell volume = 584.4516 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.328168 celldm(2)= 1.000000 celldm(3)= 1.714871 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 1.714871 ) 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 0.583134 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Sc 11.00 44.95590 Sc( 1.00) Ag 11.00 107.86820 Ag( 1.00) 12 Sym. Ops., with 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 = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 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 = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 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 = 6 180 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 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 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 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 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -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 -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 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 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 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 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 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 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 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 341 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0106383 0.0061420 -0.0000000), wk = 0.0029326 k( 3) = ( 0.0212766 0.0122841 -0.0000000), wk = 0.0029326 k( 4) = ( 0.0319149 0.0184261 -0.0000000), wk = 0.0029326 k( 5) = ( 0.0425532 0.0245681 -0.0000000), wk = 0.0029326 k( 6) = ( 0.0531915 0.0307101 -0.0000000), wk = 0.0029326 k( 7) = ( 0.0638298 0.0368521 -0.0000000), wk = 0.0029326 k( 8) = ( 0.0744681 0.0429942 -0.0000000), wk = 0.0029326 k( 9) = ( 0.0851064 0.0491362 -0.0000000), wk = 0.0029326 k( 10) = ( 0.0957447 0.0552782 -0.0000000), wk = 0.0029326 k( 11) = ( 0.1063830 0.0614202 -0.0000000), wk = 0.0029326 k( 12) = ( 0.1170213 0.0675623 -0.0000000), wk = 0.0029326 k( 13) = ( 0.1276596 0.0737043 -0.0000000), wk = 0.0029326 k( 14) = ( 0.1382979 0.0798463 -0.0000000), wk = 0.0029326 k( 15) = ( 0.1489362 0.0859883 -0.0000000), wk = 0.0029326 k( 16) = ( 0.1595745 0.0921304 -0.0000000), wk = 0.0029326 k( 17) = ( 0.1702128 0.0982724 -0.0000000), wk = 0.0029326 k( 18) = ( 0.1808511 0.1044144 -0.0000000), wk = 0.0029326 k( 19) = ( 0.1914894 0.1105564 -0.0000000), wk = 0.0029326 k( 20) = ( 0.2021277 0.1166985 -0.0000000), wk = 0.0029326 k( 21) = ( 0.2127660 0.1228405 -0.0000000), wk = 0.0029326 k( 22) = ( 0.2234043 0.1289825 -0.0000000), wk = 0.0029326 k( 23) = ( 0.2340425 0.1351245 -0.0000000), wk = 0.0029326 k( 24) = ( 0.2446809 0.1412666 -0.0000000), wk = 0.0029326 k( 25) = ( 0.2553191 0.1474086 -0.0000000), wk = 0.0029326 k( 26) = ( 0.2659574 0.1535506 -0.0000000), wk = 0.0029326 k( 27) = ( 0.2765957 0.1596926 -0.0000000), wk = 0.0029326 k( 28) = ( 0.2872340 0.1658347 -0.0000000), wk = 0.0029326 k( 29) = ( 0.2978723 0.1719767 -0.0000000), wk = 0.0029326 k( 30) = ( 0.3085106 0.1781187 -0.0000000), wk = 0.0029326 k( 31) = ( 0.3191489 0.1842607 -0.0000000), wk = 0.0029326 k( 32) = ( 0.3297872 0.1904027 -0.0000000), wk = 0.0029326 k( 33) = ( 0.3404255 0.1965448 -0.0000000), wk = 0.0029326 k( 34) = ( 0.3510638 0.2026868 -0.0000000), wk = 0.0029326 k( 35) = ( 0.3617021 0.2088288 -0.0000000), wk = 0.0029326 k( 36) = ( 0.3723404 0.2149708 -0.0000000), wk = 0.0029326 k( 37) = ( 0.3829787 0.2211129 -0.0000000), wk = 0.0029326 k( 38) = ( 0.3936170 0.2272549 -0.0000000), wk = 0.0029326 k( 39) = ( 0.4042553 0.2333969 -0.0000000), wk = 0.0029326 k( 40) = ( 0.4148936 0.2395389 -0.0000000), wk = 0.0029326 k( 41) = ( 0.4255319 0.2456810 -0.0000000), wk = 0.0029326 k( 42) = ( 0.4361702 0.2518230 -0.0000000), wk = 0.0029326 k( 43) = ( 0.4468085 0.2579650 -0.0000000), wk = 0.0029326 k( 44) = ( 0.4574468 0.2641070 -0.0000000), wk = 0.0029326 k( 45) = ( 0.4680851 0.2702491 -0.0000000), wk = 0.0029326 k( 46) = ( 0.4787234 0.2763911 -0.0000000), wk = 0.0029326 k( 47) = ( 0.4893617 0.2825331 -0.0000000), wk = 0.0029326 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029326 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029326 k( 50) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0029326 k( 51) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0029326 k( 52) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0029326 k( 53) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0029326 k( 54) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0029326 k( 55) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0029326 k( 56) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0029326 k( 57) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0029326 k( 58) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0029326 k( 59) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0029326 k( 60) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0029326 k( 61) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0029326 k( 62) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0029326 k( 63) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029326 k( 64) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0029326 k( 65) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0029326 k( 66) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0029326 k( 67) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0029326 k( 68) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0029326 k( 69) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0029326 k( 70) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0029326 k( 71) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0029326 k( 72) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0029326 k( 73) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0029326 k( 74) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0029326 k( 75) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0029326 k( 76) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0029326 k( 77) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029326 k( 78) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029326 k( 79) = ( 0.3272727 0.5668530 -0.0000000), wk = 0.0029326 k( 80) = ( 0.3212121 0.5563557 -0.0000000), wk = 0.0029326 k( 81) = ( 0.3151515 0.5458584 -0.0000000), wk = 0.0029326 k( 82) = ( 0.3090909 0.5353612 -0.0000000), wk = 0.0029326 k( 83) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0029326 k( 84) = ( 0.2969697 0.5143666 -0.0000000), wk = 0.0029326 k( 85) = ( 0.2909091 0.5038693 -0.0000000), wk = 0.0029326 k( 86) = ( 0.2848485 0.4933720 -0.0000000), wk = 0.0029326 k( 87) = ( 0.2787879 0.4828748 -0.0000000), wk = 0.0029326 k( 88) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0029326 k( 89) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0029326 k( 90) = ( 0.2606061 0.4513829 -0.0000000), wk = 0.0029326 k( 91) = ( 0.2545455 0.4408857 -0.0000000), wk = 0.0029326 k( 92) = ( 0.2484849 0.4303884 -0.0000000), wk = 0.0029326 k( 93) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0029326 k( 94) = ( 0.2363636 0.4093938 -0.0000000), wk = 0.0029326 k( 95) = ( 0.2303030 0.3988965 -0.0000000), wk = 0.0029326 k( 96) = ( 0.2242424 0.3883993 -0.0000000), wk = 0.0029326 k( 97) = ( 0.2181818 0.3779020 -0.0000000), wk = 0.0029326 k( 98) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0029326 k( 99) = ( 0.2060606 0.3569074 -0.0000000), wk = 0.0029326 k( 100) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0029326 k( 101) = ( 0.1939394 0.3359129 -0.0000000), wk = 0.0029326 k( 102) = ( 0.1878788 0.3254156 -0.0000000), wk = 0.0029326 k( 103) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0029326 k( 104) = ( 0.1757576 0.3044211 -0.0000000), wk = 0.0029326 k( 105) = ( 0.1696970 0.2939238 -0.0000000), wk = 0.0029326 k( 106) = ( 0.1636364 0.2834265 -0.0000000), wk = 0.0029326 k( 107) = ( 0.1575758 0.2729292 -0.0000000), wk = 0.0029326 k( 108) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0029326 k( 109) = ( 0.1454545 0.2519347 -0.0000000), wk = 0.0029326 k( 110) = ( 0.1393939 0.2414374 -0.0000000), wk = 0.0029326 k( 111) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0029326 k( 112) = ( 0.1272727 0.2204428 -0.0000000), wk = 0.0029326 k( 113) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0029326 k( 114) = ( 0.1151515 0.1994483 -0.0000000), wk = 0.0029326 k( 115) = ( 0.1090909 0.1889510 -0.0000000), wk = 0.0029326 k( 116) = ( 0.1030303 0.1784537 -0.0000000), wk = 0.0029326 k( 117) = ( 0.0969697 0.1679564 -0.0000000), wk = 0.0029326 k( 118) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0029326 k( 119) = ( 0.0848485 0.1469619 -0.0000000), wk = 0.0029326 k( 120) = ( 0.0787879 0.1364646 -0.0000000), wk = 0.0029326 k( 121) = ( 0.0727273 0.1259673 -0.0000000), wk = 0.0029326 k( 122) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0029326 k( 123) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0029326 k( 124) = ( 0.0545455 0.0944755 -0.0000000), wk = 0.0029326 k( 125) = ( 0.0484849 0.0839782 -0.0000000), wk = 0.0029326 k( 126) = ( 0.0424242 0.0734809 -0.0000000), wk = 0.0029326 k( 127) = ( 0.0363636 0.0629837 -0.0000000), wk = 0.0029326 k( 128) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0029326 k( 129) = ( 0.0242424 0.0419891 -0.0000000), wk = 0.0029326 k( 130) = ( 0.0181818 0.0314918 -0.0000000), wk = 0.0029326 k( 131) = ( 0.0121212 0.0209946 -0.0000000), wk = 0.0029326 k( 132) = ( 0.0060606 0.0104973 -0.0000000), wk = 0.0029326 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 135) = ( 0.0000000 0.0000000 0.0121486), wk = 0.0029326 k( 136) = ( 0.0000000 0.0000000 0.0242973), wk = 0.0029326 k( 137) = ( 0.0000000 0.0000000 0.0364459), wk = 0.0029326 k( 138) = ( 0.0000000 0.0000000 0.0485945), wk = 0.0029326 k( 139) = ( 0.0000000 0.0000000 0.0607431), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.0728918), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.0850404), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.0971890), wk = 0.0029326 k( 143) = ( 0.0000000 0.0000000 0.1093376), wk = 0.0029326 k( 144) = ( 0.0000000 0.0000000 0.1214863), wk = 0.0029326 k( 145) = ( 0.0000000 0.0000000 0.1336349), wk = 0.0029326 k( 146) = ( 0.0000000 0.0000000 0.1457835), wk = 0.0029326 k( 147) = ( 0.0000000 0.0000000 0.1579321), wk = 0.0029326 k( 148) = ( 0.0000000 0.0000000 0.1700808), wk = 0.0029326 k( 149) = ( 0.0000000 0.0000000 0.1822294), wk = 0.0029326 k( 150) = ( 0.0000000 0.0000000 0.1943780), wk = 0.0029326 k( 151) = ( 0.0000000 0.0000000 0.2065267), wk = 0.0029326 k( 152) = ( 0.0000000 0.0000000 0.2186753), wk = 0.0029326 k( 153) = ( 0.0000000 0.0000000 0.2308239), wk = 0.0029326 k( 154) = ( 0.0000000 0.0000000 0.2429725), wk = 0.0029326 k( 155) = ( 0.0000000 0.0000000 0.2551212), wk = 0.0029326 k( 156) = ( 0.0000000 0.0000000 0.2672698), wk = 0.0029326 k( 157) = ( 0.0000000 0.0000000 0.2794184), wk = 0.0029326 k( 158) = ( 0.0000000 0.0000000 0.2915670), wk = 0.0029326 k( 159) = ( 0.0000000 0.0000000 0.2915670), wk = 0.0029326 k( 160) = ( 0.0106383 0.0061420 0.2915670), wk = 0.0029326 k( 161) = ( 0.0212766 0.0122841 0.2915670), wk = 0.0029326 k( 162) = ( 0.0319149 0.0184261 0.2915670), wk = 0.0029326 k( 163) = ( 0.0425532 0.0245681 0.2915670), wk = 0.0029326 k( 164) = ( 0.0531915 0.0307101 0.2915670), wk = 0.0029326 k( 165) = ( 0.0638298 0.0368521 0.2915670), wk = 0.0029326 k( 166) = ( 0.0744681 0.0429942 0.2915670), wk = 0.0029326 k( 167) = ( 0.0851064 0.0491362 0.2915670), wk = 0.0029326 k( 168) = ( 0.0957447 0.0552782 0.2915670), wk = 0.0029326 k( 169) = ( 0.1063830 0.0614202 0.2915670), wk = 0.0029326 k( 170) = ( 0.1170213 0.0675623 0.2915670), wk = 0.0029326 k( 171) = ( 0.1276596 0.0737043 0.2915670), wk = 0.0029326 k( 172) = ( 0.1382979 0.0798463 0.2915670), wk = 0.0029326 k( 173) = ( 0.1489362 0.0859883 0.2915670), wk = 0.0029326 k( 174) = ( 0.1595745 0.0921304 0.2915670), wk = 0.0029326 k( 175) = ( 0.1702128 0.0982724 0.2915670), wk = 0.0029326 k( 176) = ( 0.1808511 0.1044144 0.2915670), wk = 0.0029326 k( 177) = ( 0.1914894 0.1105564 0.2915670), wk = 0.0029326 k( 178) = ( 0.2021277 0.1166985 0.2915670), wk = 0.0029326 k( 179) = ( 0.2127660 0.1228405 0.2915670), wk = 0.0029326 k( 180) = ( 0.2234043 0.1289825 0.2915670), wk = 0.0029326 k( 181) = ( 0.2340425 0.1351245 0.2915670), wk = 0.0029326 k( 182) = ( 0.2446809 0.1412666 0.2915670), wk = 0.0029326 k( 183) = ( 0.2553191 0.1474086 0.2915670), wk = 0.0029326 k( 184) = ( 0.2659574 0.1535506 0.2915670), wk = 0.0029326 k( 185) = ( 0.2765957 0.1596926 0.2915670), wk = 0.0029326 k( 186) = ( 0.2872340 0.1658347 0.2915670), wk = 0.0029326 k( 187) = ( 0.2978723 0.1719767 0.2915670), wk = 0.0029326 k( 188) = ( 0.3085106 0.1781187 0.2915670), wk = 0.0029326 k( 189) = ( 0.3191489 0.1842607 0.2915670), wk = 0.0029326 k( 190) = ( 0.3297872 0.1904027 0.2915670), wk = 0.0029326 k( 191) = ( 0.3404255 0.1965448 0.2915670), wk = 0.0029326 k( 192) = ( 0.3510638 0.2026868 0.2915670), wk = 0.0029326 k( 193) = ( 0.3617021 0.2088288 0.2915670), wk = 0.0029326 k( 194) = ( 0.3723404 0.2149708 0.2915670), wk = 0.0029326 k( 195) = ( 0.3829787 0.2211129 0.2915670), wk = 0.0029326 k( 196) = ( 0.3936170 0.2272549 0.2915670), wk = 0.0029326 k( 197) = ( 0.4042553 0.2333969 0.2915670), wk = 0.0029326 k( 198) = ( 0.4148936 0.2395389 0.2915670), wk = 0.0029326 k( 199) = ( 0.4255319 0.2456810 0.2915670), wk = 0.0029326 k( 200) = ( 0.4361702 0.2518230 0.2915670), wk = 0.0029326 k( 201) = ( 0.4468085 0.2579650 0.2915670), wk = 0.0029326 k( 202) = ( 0.4574468 0.2641070 0.2915670), wk = 0.0029326 k( 203) = ( 0.4680851 0.2702491 0.2915670), wk = 0.0029326 k( 204) = ( 0.4787234 0.2763911 0.2915670), wk = 0.0029326 k( 205) = ( 0.4893617 0.2825331 0.2915670), wk = 0.0029326 k( 206) = ( 0.5000000 0.2886751 0.2915670), wk = 0.0029326 k( 207) = ( 0.5000000 0.2886751 0.2915670), wk = 0.0029326 k( 208) = ( 0.4940476 0.2989850 0.2915670), wk = 0.0029326 k( 209) = ( 0.4880952 0.3092948 0.2915670), wk = 0.0029326 k( 210) = ( 0.4821429 0.3196046 0.2915670), wk = 0.0029326 k( 211) = ( 0.4761905 0.3299144 0.2915670), wk = 0.0029326 k( 212) = ( 0.4702381 0.3402243 0.2915670), wk = 0.0029326 k( 213) = ( 0.4642857 0.3505341 0.2915670), wk = 0.0029326 k( 214) = ( 0.4583333 0.3608439 0.2915670), wk = 0.0029326 k( 215) = ( 0.4523810 0.3711537 0.2915670), wk = 0.0029326 k( 216) = ( 0.4464286 0.3814636 0.2915670), wk = 0.0029326 k( 217) = ( 0.4404762 0.3917734 0.2915670), wk = 0.0029326 k( 218) = ( 0.4345238 0.4020832 0.2915670), wk = 0.0029326 k( 219) = ( 0.4285714 0.4123930 0.2915670), wk = 0.0029326 k( 220) = ( 0.4226190 0.4227029 0.2915670), wk = 0.0029326 k( 221) = ( 0.4166667 0.4330127 0.2915670), wk = 0.0029326 k( 222) = ( 0.4107143 0.4433225 0.2915670), wk = 0.0029326 k( 223) = ( 0.4047619 0.4536324 0.2915670), wk = 0.0029326 k( 224) = ( 0.3988095 0.4639422 0.2915670), wk = 0.0029326 k( 225) = ( 0.3928571 0.4742520 0.2915670), wk = 0.0029326 k( 226) = ( 0.3869048 0.4845618 0.2915670), wk = 0.0029326 k( 227) = ( 0.3809524 0.4948717 0.2915670), wk = 0.0029326 k( 228) = ( 0.3750000 0.5051815 0.2915670), wk = 0.0029326 k( 229) = ( 0.3690476 0.5154913 0.2915670), wk = 0.0029326 k( 230) = ( 0.3630952 0.5258011 0.2915670), wk = 0.0029326 k( 231) = ( 0.3571429 0.5361110 0.2915670), wk = 0.0029326 k( 232) = ( 0.3511905 0.5464208 0.2915670), wk = 0.0029326 k( 233) = ( 0.3452381 0.5567306 0.2915670), wk = 0.0029326 k( 234) = ( 0.3392857 0.5670404 0.2915670), wk = 0.0029326 k( 235) = ( 0.3333333 0.5773503 0.2915670), wk = 0.0029326 k( 236) = ( 0.3333333 0.5773503 0.2915670), wk = 0.0029326 k( 237) = ( 0.3272727 0.5668530 0.2915670), wk = 0.0029326 k( 238) = ( 0.3212121 0.5563557 0.2915670), wk = 0.0029326 k( 239) = ( 0.3151515 0.5458584 0.2915670), wk = 0.0029326 k( 240) = ( 0.3090909 0.5353612 0.2915670), wk = 0.0029326 k( 241) = ( 0.3030303 0.5248639 0.2915670), wk = 0.0029326 k( 242) = ( 0.2969697 0.5143666 0.2915670), wk = 0.0029326 k( 243) = ( 0.2909091 0.5038693 0.2915670), wk = 0.0029326 k( 244) = ( 0.2848485 0.4933720 0.2915670), wk = 0.0029326 k( 245) = ( 0.2787879 0.4828748 0.2915670), wk = 0.0029326 k( 246) = ( 0.2727273 0.4723775 0.2915670), wk = 0.0029326 k( 247) = ( 0.2666667 0.4618802 0.2915670), wk = 0.0029326 k( 248) = ( 0.2606061 0.4513829 0.2915670), wk = 0.0029326 k( 249) = ( 0.2545455 0.4408857 0.2915670), wk = 0.0029326 k( 250) = ( 0.2484849 0.4303884 0.2915670), wk = 0.0029326 k( 251) = ( 0.2424242 0.4198911 0.2915670), wk = 0.0029326 k( 252) = ( 0.2363636 0.4093938 0.2915670), wk = 0.0029326 k( 253) = ( 0.2303030 0.3988965 0.2915670), wk = 0.0029326 k( 254) = ( 0.2242424 0.3883993 0.2915670), wk = 0.0029326 k( 255) = ( 0.2181818 0.3779020 0.2915670), wk = 0.0029326 k( 256) = ( 0.2121212 0.3674047 0.2915670), wk = 0.0029326 k( 257) = ( 0.2060606 0.3569074 0.2915670), wk = 0.0029326 k( 258) = ( 0.2000000 0.3464102 0.2915670), wk = 0.0029326 k( 259) = ( 0.1939394 0.3359129 0.2915670), wk = 0.0029326 k( 260) = ( 0.1878788 0.3254156 0.2915670), wk = 0.0029326 k( 261) = ( 0.1818182 0.3149183 0.2915670), wk = 0.0029326 k( 262) = ( 0.1757576 0.3044211 0.2915670), wk = 0.0029326 k( 263) = ( 0.1696970 0.2939238 0.2915670), wk = 0.0029326 k( 264) = ( 0.1636364 0.2834265 0.2915670), wk = 0.0029326 k( 265) = ( 0.1575758 0.2729292 0.2915670), wk = 0.0029326 k( 266) = ( 0.1515151 0.2624319 0.2915670), wk = 0.0029326 k( 267) = ( 0.1454545 0.2519347 0.2915670), wk = 0.0029326 k( 268) = ( 0.1393939 0.2414374 0.2915670), wk = 0.0029326 k( 269) = ( 0.1333333 0.2309401 0.2915670), wk = 0.0029326 k( 270) = ( 0.1272727 0.2204428 0.2915670), wk = 0.0029326 k( 271) = ( 0.1212121 0.2099456 0.2915670), wk = 0.0029326 k( 272) = ( 0.1151515 0.1994483 0.2915670), wk = 0.0029326 k( 273) = ( 0.1090909 0.1889510 0.2915670), wk = 0.0029326 k( 274) = ( 0.1030303 0.1784537 0.2915670), wk = 0.0029326 k( 275) = ( 0.0969697 0.1679564 0.2915670), wk = 0.0029326 k( 276) = ( 0.0909091 0.1574592 0.2915670), wk = 0.0029326 k( 277) = ( 0.0848485 0.1469619 0.2915670), wk = 0.0029326 k( 278) = ( 0.0787879 0.1364646 0.2915670), wk = 0.0029326 k( 279) = ( 0.0727273 0.1259673 0.2915670), wk = 0.0029326 k( 280) = ( 0.0666667 0.1154701 0.2915670), wk = 0.0029326 k( 281) = ( 0.0606061 0.1049728 0.2915670), wk = 0.0029326 k( 282) = ( 0.0545455 0.0944755 0.2915670), wk = 0.0029326 k( 283) = ( 0.0484849 0.0839782 0.2915670), wk = 0.0029326 k( 284) = ( 0.0424242 0.0734809 0.2915670), wk = 0.0029326 k( 285) = ( 0.0363636 0.0629837 0.2915670), wk = 0.0029326 k( 286) = ( 0.0303030 0.0524864 0.2915670), wk = 0.0029326 k( 287) = ( 0.0242424 0.0419891 0.2915670), wk = 0.0029326 k( 288) = ( 0.0181818 0.0314918 0.2915670), wk = 0.0029326 k( 289) = ( 0.0121212 0.0209946 0.2915670), wk = 0.0029326 k( 290) = ( 0.0060606 0.0104973 0.2915670), wk = 0.0029326 k( 291) = ( 0.0000000 0.0000000 0.2915670), wk = 0.0029326 k( 292) = ( 0.5000000 0.2886751 0.2915670), wk = 0.0029326 k( 293) = ( 0.5000000 0.2886751 0.2794184), wk = 0.0029326 k( 294) = ( 0.5000000 0.2886751 0.2672698), wk = 0.0029326 k( 295) = ( 0.5000000 0.2886751 0.2551212), wk = 0.0029326 k( 296) = ( 0.5000000 0.2886751 0.2429725), wk = 0.0029326 k( 297) = ( 0.5000000 0.2886751 0.2308239), wk = 0.0029326 k( 298) = ( 0.5000000 0.2886751 0.2186753), wk = 0.0029326 k( 299) = ( 0.5000000 0.2886751 0.2065267), wk = 0.0029326 k( 300) = ( 0.5000000 0.2886751 0.1943780), wk = 0.0029326 k( 301) = ( 0.5000000 0.2886751 0.1822294), wk = 0.0029326 k( 302) = ( 0.5000000 0.2886751 0.1700808), wk = 0.0029326 k( 303) = ( 0.5000000 0.2886751 0.1579321), wk = 0.0029326 k( 304) = ( 0.5000000 0.2886751 0.1457835), wk = 0.0029326 k( 305) = ( 0.5000000 0.2886751 0.1336349), wk = 0.0029326 k( 306) = ( 0.5000000 0.2886751 0.1214863), wk = 0.0029326 k( 307) = ( 0.5000000 0.2886751 0.1093376), wk = 0.0029326 k( 308) = ( 0.5000000 0.2886751 0.0971890), wk = 0.0029326 k( 309) = ( 0.5000000 0.2886751 0.0850404), wk = 0.0029326 k( 310) = ( 0.5000000 0.2886751 0.0728918), wk = 0.0029326 k( 311) = ( 0.5000000 0.2886751 0.0607431), wk = 0.0029326 k( 312) = ( 0.5000000 0.2886751 0.0485945), wk = 0.0029326 k( 313) = ( 0.5000000 0.2886751 0.0364459), wk = 0.0029326 k( 314) = ( 0.5000000 0.2886751 0.0242973), wk = 0.0029326 k( 315) = ( 0.5000000 0.2886751 0.0121486), wk = 0.0029326 k( 316) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029326 k( 317) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029326 k( 318) = ( 0.3333333 0.5773503 0.0121486), wk = 0.0029326 k( 319) = ( 0.3333333 0.5773503 0.0242973), wk = 0.0029326 k( 320) = ( 0.3333333 0.5773503 0.0364459), wk = 0.0029326 k( 321) = ( 0.3333333 0.5773503 0.0485945), wk = 0.0029326 k( 322) = ( 0.3333333 0.5773503 0.0607431), wk = 0.0029326 k( 323) = ( 0.3333333 0.5773503 0.0728918), wk = 0.0029326 k( 324) = ( 0.3333333 0.5773503 0.0850404), wk = 0.0029326 k( 325) = ( 0.3333333 0.5773503 0.0971890), wk = 0.0029326 k( 326) = ( 0.3333333 0.5773503 0.1093376), wk = 0.0029326 k( 327) = ( 0.3333333 0.5773503 0.1214863), wk = 0.0029326 k( 328) = ( 0.3333333 0.5773503 0.1336349), wk = 0.0029326 k( 329) = ( 0.3333333 0.5773503 0.1457835), wk = 0.0029326 k( 330) = ( 0.3333333 0.5773503 0.1579321), wk = 0.0029326 k( 331) = ( 0.3333333 0.5773503 0.1700808), wk = 0.0029326 k( 332) = ( 0.3333333 0.5773503 0.1822294), wk = 0.0029326 k( 333) = ( 0.3333333 0.5773503 0.1943780), wk = 0.0029326 k( 334) = ( 0.3333333 0.5773503 0.2065267), wk = 0.0029326 k( 335) = ( 0.3333333 0.5773503 0.2186753), wk = 0.0029326 k( 336) = ( 0.3333333 0.5773503 0.2308239), wk = 0.0029326 k( 337) = ( 0.3333333 0.5773503 0.2429725), wk = 0.0029326 k( 338) = ( 0.3333333 0.5773503 0.2551212), wk = 0.0029326 k( 339) = ( 0.3333333 0.5773503 0.2672698), wk = 0.0029326 k( 340) = ( 0.3333333 0.5773503 0.2794184), wk = 0.0029326 k( 341) = ( 0.3333333 0.5773503 0.2915670), wk = 0.0029326 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0106383 -0.0000000 0.0000000), wk = 0.0029326 k( 3) = ( 0.0212766 -0.0000000 0.0000000), wk = 0.0029326 k( 4) = ( 0.0319149 0.0000000 0.0000000), wk = 0.0029326 k( 5) = ( 0.0425532 -0.0000000 -0.0000000), wk = 0.0029326 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0029326 k( 7) = ( 0.0638298 0.0000000 0.0000000), wk = 0.0029326 k( 8) = ( 0.0744681 -0.0000000 -0.0000000), wk = 0.0029326 k( 9) = ( 0.0851064 -0.0000000 -0.0000000), wk = 0.0029326 k( 10) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0029326 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0029326 k( 12) = ( 0.1170213 -0.0000000 0.0000000), wk = 0.0029326 k( 13) = ( 0.1276596 0.0000000 0.0000000), wk = 0.0029326 k( 14) = ( 0.1382979 0.0000000 0.0000000), wk = 0.0029326 k( 15) = ( 0.1489362 -0.0000000 0.0000000), wk = 0.0029326 k( 16) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0029326 k( 17) = ( 0.1702128 -0.0000000 0.0000000), wk = 0.0029326 k( 18) = ( 0.1808511 -0.0000000 0.0000000), wk = 0.0029326 k( 19) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0029326 k( 20) = ( 0.2021277 -0.0000000 0.0000000), wk = 0.0029326 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0029326 k( 22) = ( 0.2234043 0.0000000 0.0000000), wk = 0.0029326 k( 23) = ( 0.2340425 0.0000000 0.0000000), wk = 0.0029326 k( 24) = ( 0.2446809 -0.0000000 0.0000000), wk = 0.0029326 k( 25) = ( 0.2553191 0.0000000 0.0000000), wk = 0.0029326 k( 26) = ( 0.2659574 0.0000000 0.0000000), wk = 0.0029326 k( 27) = ( 0.2765957 0.0000000 0.0000000), wk = 0.0029326 k( 28) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0029326 k( 29) = ( 0.2978723 -0.0000000 0.0000000), wk = 0.0029326 k( 30) = ( 0.3085106 0.0000000 -0.0000000), wk = 0.0029326 k( 31) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0029326 k( 32) = ( 0.3297872 -0.0000000 -0.0000000), wk = 0.0029326 k( 33) = ( 0.3404255 0.0000000 -0.0000000), wk = 0.0029326 k( 34) = ( 0.3510638 -0.0000000 0.0000000), wk = 0.0029326 k( 35) = ( 0.3617021 -0.0000000 0.0000000), wk = 0.0029326 k( 36) = ( 0.3723404 -0.0000000 -0.0000000), wk = 0.0029326 k( 37) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0029326 k( 38) = ( 0.3936170 0.0000000 0.0000000), wk = 0.0029326 k( 39) = ( 0.4042553 -0.0000000 0.0000000), wk = 0.0029326 k( 40) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0029326 k( 41) = ( 0.4255319 -0.0000000 0.0000000), wk = 0.0029326 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0029326 k( 43) = ( 0.4468085 -0.0000000 0.0000000), wk = 0.0029326 k( 44) = ( 0.4574468 -0.0000000 -0.0000000), wk = 0.0029326 k( 45) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0029326 k( 46) = ( 0.4787234 -0.0000000 0.0000000), wk = 0.0029326 k( 47) = ( 0.4893617 -0.0000000 0.0000000), wk = 0.0029326 k( 48) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029326 k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029326 k( 50) = ( 0.4940476 0.0119048 0.0000000), wk = 0.0029326 k( 51) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0029326 k( 52) = ( 0.4821429 0.0357143 -0.0000000), wk = 0.0029326 k( 53) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0029326 k( 54) = ( 0.4702381 0.0595238 0.0000000), wk = 0.0029326 k( 55) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0029326 k( 56) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0029326 k( 57) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0029326 k( 58) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0029326 k( 59) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0029326 k( 60) = ( 0.4345238 0.1309524 0.0000000), wk = 0.0029326 k( 61) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0029326 k( 62) = ( 0.4226190 0.1547619 -0.0000000), wk = 0.0029326 k( 63) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0029326 k( 64) = ( 0.4107143 0.1785714 0.0000000), wk = 0.0029326 k( 65) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0029326 k( 66) = ( 0.3988095 0.2023810 0.0000000), wk = 0.0029326 k( 67) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0029326 k( 68) = ( 0.3869048 0.2261905 -0.0000000), wk = 0.0029326 k( 69) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0029326 k( 70) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0029326 k( 71) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0029326 k( 72) = ( 0.3630952 0.2738095 0.0000000), wk = 0.0029326 k( 73) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0029326 k( 74) = ( 0.3511905 0.2976190 -0.0000000), wk = 0.0029326 k( 75) = ( 0.3452381 0.3095238 -0.0000000), wk = 0.0029326 k( 76) = ( 0.3392857 0.3214286 -0.0000000), wk = 0.0029326 k( 77) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029326 k( 78) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029326 k( 79) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0029326 k( 80) = ( 0.3212121 0.3212121 0.0000000), wk = 0.0029326 k( 81) = ( 0.3151515 0.3151515 -0.0000000), wk = 0.0029326 k( 82) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0029326 k( 83) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0029326 k( 84) = ( 0.2969697 0.2969697 -0.0000000), wk = 0.0029326 k( 85) = ( 0.2909091 0.2909091 0.0000000), wk = 0.0029326 k( 86) = ( 0.2848485 0.2848485 0.0000000), wk = 0.0029326 k( 87) = ( 0.2787879 0.2787879 0.0000000), wk = 0.0029326 k( 88) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0029326 k( 89) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0029326 k( 90) = ( 0.2606061 0.2606061 -0.0000000), wk = 0.0029326 k( 91) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0029326 k( 92) = ( 0.2484849 0.2484849 0.0000000), wk = 0.0029326 k( 93) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0029326 k( 94) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0029326 k( 95) = ( 0.2303030 0.2303030 0.0000000), wk = 0.0029326 k( 96) = ( 0.2242424 0.2242424 0.0000000), wk = 0.0029326 k( 97) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0029326 k( 98) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0029326 k( 99) = ( 0.2060606 0.2060606 0.0000000), wk = 0.0029326 k( 100) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0029326 k( 101) = ( 0.1939394 0.1939394 0.0000000), wk = 0.0029326 k( 102) = ( 0.1878788 0.1878788 0.0000000), wk = 0.0029326 k( 103) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0029326 k( 104) = ( 0.1757576 0.1757576 -0.0000000), wk = 0.0029326 k( 105) = ( 0.1696970 0.1696970 0.0000000), wk = 0.0029326 k( 106) = ( 0.1636364 0.1636364 0.0000000), wk = 0.0029326 k( 107) = ( 0.1575758 0.1575758 -0.0000000), wk = 0.0029326 k( 108) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0029326 k( 109) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0029326 k( 110) = ( 0.1393939 0.1393939 0.0000000), wk = 0.0029326 k( 111) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0029326 k( 112) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0029326 k( 113) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0029326 k( 114) = ( 0.1151515 0.1151515 0.0000000), wk = 0.0029326 k( 115) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0029326 k( 116) = ( 0.1030303 0.1030303 0.0000000), wk = 0.0029326 k( 117) = ( 0.0969697 0.0969697 -0.0000000), wk = 0.0029326 k( 118) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0029326 k( 119) = ( 0.0848485 0.0848485 -0.0000000), wk = 0.0029326 k( 120) = ( 0.0787879 0.0787879 -0.0000000), wk = 0.0029326 k( 121) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0029326 k( 122) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0029326 k( 123) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0029326 k( 124) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0029326 k( 125) = ( 0.0484849 0.0484849 -0.0000000), wk = 0.0029326 k( 126) = ( 0.0424242 0.0424242 -0.0000000), wk = 0.0029326 k( 127) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0029326 k( 128) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0029326 k( 129) = ( 0.0242424 0.0242424 -0.0000000), wk = 0.0029326 k( 130) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0029326 k( 131) = ( 0.0121212 0.0121212 -0.0000000), wk = 0.0029326 k( 132) = ( 0.0060606 0.0060606 0.0000000), wk = 0.0029326 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 135) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0029326 k( 136) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0029326 k( 137) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0029326 k( 138) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0029326 k( 139) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029326 k( 143) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0029326 k( 144) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0029326 k( 145) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0029326 k( 146) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029326 k( 147) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0029326 k( 148) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0029326 k( 149) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0029326 k( 150) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029326 k( 151) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0029326 k( 152) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029326 k( 153) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0029326 k( 154) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0029326 k( 155) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0029326 k( 156) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0029326 k( 157) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0029326 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 160) = ( 0.0106383 -0.0000000 0.5000000), wk = 0.0029326 k( 161) = ( 0.0212766 -0.0000000 0.5000000), wk = 0.0029326 k( 162) = ( 0.0319149 0.0000000 0.5000000), wk = 0.0029326 k( 163) = ( 0.0425532 -0.0000000 0.5000000), wk = 0.0029326 k( 164) = ( 0.0531915 0.0000000 0.5000000), wk = 0.0029326 k( 165) = ( 0.0638298 0.0000000 0.5000000), wk = 0.0029326 k( 166) = ( 0.0744681 -0.0000000 0.5000000), wk = 0.0029326 k( 167) = ( 0.0851064 -0.0000000 0.5000000), wk = 0.0029326 k( 168) = ( 0.0957447 0.0000000 0.5000000), wk = 0.0029326 k( 169) = ( 0.1063830 0.0000000 0.5000000), wk = 0.0029326 k( 170) = ( 0.1170213 -0.0000000 0.5000000), wk = 0.0029326 k( 171) = ( 0.1276596 0.0000000 0.5000000), wk = 0.0029326 k( 172) = ( 0.1382979 0.0000000 0.5000000), wk = 0.0029326 k( 173) = ( 0.1489362 -0.0000000 0.5000000), wk = 0.0029326 k( 174) = ( 0.1595745 0.0000000 0.5000000), wk = 0.0029326 k( 175) = ( 0.1702128 -0.0000000 0.5000000), wk = 0.0029326 k( 176) = ( 0.1808511 -0.0000000 0.5000000), wk = 0.0029326 k( 177) = ( 0.1914894 0.0000000 0.5000000), wk = 0.0029326 k( 178) = ( 0.2021277 -0.0000000 0.5000000), wk = 0.0029326 k( 179) = ( 0.2127660 0.0000000 0.5000000), wk = 0.0029326 k( 180) = ( 0.2234043 0.0000000 0.5000000), wk = 0.0029326 k( 181) = ( 0.2340425 0.0000000 0.5000000), wk = 0.0029326 k( 182) = ( 0.2446809 -0.0000000 0.5000000), wk = 0.0029326 k( 183) = ( 0.2553191 0.0000000 0.5000000), wk = 0.0029326 k( 184) = ( 0.2659574 0.0000000 0.5000000), wk = 0.0029326 k( 185) = ( 0.2765957 0.0000000 0.5000000), wk = 0.0029326 k( 186) = ( 0.2872340 0.0000000 0.5000000), wk = 0.0029326 k( 187) = ( 0.2978723 -0.0000000 0.5000000), wk = 0.0029326 k( 188) = ( 0.3085106 0.0000000 0.5000000), wk = 0.0029326 k( 189) = ( 0.3191489 0.0000000 0.5000000), wk = 0.0029326 k( 190) = ( 0.3297872 -0.0000000 0.5000000), wk = 0.0029326 k( 191) = ( 0.3404255 0.0000000 0.5000000), wk = 0.0029326 k( 192) = ( 0.3510638 -0.0000000 0.5000000), wk = 0.0029326 k( 193) = ( 0.3617021 -0.0000000 0.5000000), wk = 0.0029326 k( 194) = ( 0.3723404 -0.0000000 0.5000000), wk = 0.0029326 k( 195) = ( 0.3829787 0.0000000 0.5000000), wk = 0.0029326 k( 196) = ( 0.3936170 0.0000000 0.5000000), wk = 0.0029326 k( 197) = ( 0.4042553 -0.0000000 0.5000000), wk = 0.0029326 k( 198) = ( 0.4148936 0.0000000 0.5000000), wk = 0.0029326 k( 199) = ( 0.4255319 -0.0000000 0.5000000), wk = 0.0029326 k( 200) = ( 0.4361702 0.0000000 0.5000000), wk = 0.0029326 k( 201) = ( 0.4468085 -0.0000000 0.5000000), wk = 0.0029326 k( 202) = ( 0.4574468 -0.0000000 0.5000000), wk = 0.0029326 k( 203) = ( 0.4680851 0.0000000 0.5000000), wk = 0.0029326 k( 204) = ( 0.4787234 -0.0000000 0.5000000), wk = 0.0029326 k( 205) = ( 0.4893617 -0.0000000 0.5000000), wk = 0.0029326 k( 206) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029326 k( 207) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029326 k( 208) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0029326 k( 209) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0029326 k( 210) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0029326 k( 211) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0029326 k( 212) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0029326 k( 213) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0029326 k( 214) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0029326 k( 215) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0029326 k( 216) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0029326 k( 217) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0029326 k( 218) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0029326 k( 219) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0029326 k( 220) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0029326 k( 221) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029326 k( 222) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0029326 k( 223) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0029326 k( 224) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0029326 k( 225) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0029326 k( 226) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0029326 k( 227) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0029326 k( 228) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0029326 k( 229) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0029326 k( 230) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0029326 k( 231) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0029326 k( 232) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0029326 k( 233) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0029326 k( 234) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0029326 k( 235) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029326 k( 236) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029326 k( 237) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0029326 k( 238) = ( 0.3212121 0.3212121 0.5000000), wk = 0.0029326 k( 239) = ( 0.3151515 0.3151515 0.5000000), wk = 0.0029326 k( 240) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0029326 k( 241) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0029326 k( 242) = ( 0.2969697 0.2969697 0.5000000), wk = 0.0029326 k( 243) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0029326 k( 244) = ( 0.2848485 0.2848485 0.5000000), wk = 0.0029326 k( 245) = ( 0.2787879 0.2787879 0.5000000), wk = 0.0029326 k( 246) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0029326 k( 247) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0029326 k( 248) = ( 0.2606061 0.2606061 0.5000000), wk = 0.0029326 k( 249) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0029326 k( 250) = ( 0.2484849 0.2484849 0.5000000), wk = 0.0029326 k( 251) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0029326 k( 252) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0029326 k( 253) = ( 0.2303030 0.2303030 0.5000000), wk = 0.0029326 k( 254) = ( 0.2242424 0.2242424 0.5000000), wk = 0.0029326 k( 255) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0029326 k( 256) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0029326 k( 257) = ( 0.2060606 0.2060606 0.5000000), wk = 0.0029326 k( 258) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0029326 k( 259) = ( 0.1939394 0.1939394 0.5000000), wk = 0.0029326 k( 260) = ( 0.1878788 0.1878788 0.5000000), wk = 0.0029326 k( 261) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0029326 k( 262) = ( 0.1757576 0.1757576 0.5000000), wk = 0.0029326 k( 263) = ( 0.1696970 0.1696970 0.5000000), wk = 0.0029326 k( 264) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0029326 k( 265) = ( 0.1575758 0.1575758 0.5000000), wk = 0.0029326 k( 266) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0029326 k( 267) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0029326 k( 268) = ( 0.1393939 0.1393939 0.5000000), wk = 0.0029326 k( 269) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0029326 k( 270) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0029326 k( 271) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0029326 k( 272) = ( 0.1151515 0.1151515 0.5000000), wk = 0.0029326 k( 273) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0029326 k( 274) = ( 0.1030303 0.1030303 0.5000000), wk = 0.0029326 k( 275) = ( 0.0969697 0.0969697 0.5000000), wk = 0.0029326 k( 276) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0029326 k( 277) = ( 0.0848485 0.0848485 0.5000000), wk = 0.0029326 k( 278) = ( 0.0787879 0.0787879 0.5000000), wk = 0.0029326 k( 279) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0029326 k( 280) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0029326 k( 281) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0029326 k( 282) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0029326 k( 283) = ( 0.0484849 0.0484849 0.5000000), wk = 0.0029326 k( 284) = ( 0.0424242 0.0424242 0.5000000), wk = 0.0029326 k( 285) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0029326 k( 286) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0029326 k( 287) = ( 0.0242424 0.0242424 0.5000000), wk = 0.0029326 k( 288) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0029326 k( 289) = ( 0.0121212 0.0121212 0.5000000), wk = 0.0029326 k( 290) = ( 0.0060606 0.0060606 0.5000000), wk = 0.0029326 k( 291) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 292) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029326 k( 293) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0029326 k( 294) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0029326 k( 295) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0029326 k( 296) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0029326 k( 297) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0029326 k( 298) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0029326 k( 299) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0029326 k( 300) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0029326 k( 301) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0029326 k( 302) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0029326 k( 303) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0029326 k( 304) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0029326 k( 305) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0029326 k( 306) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0029326 k( 307) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0029326 k( 308) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0029326 k( 309) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0029326 k( 310) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0029326 k( 311) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0029326 k( 312) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0029326 k( 313) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0029326 k( 314) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0029326 k( 315) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0029326 k( 316) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029326 k( 317) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029326 k( 318) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0029326 k( 319) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0029326 k( 320) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0029326 k( 321) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0029326 k( 322) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0029326 k( 323) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0029326 k( 324) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0029326 k( 325) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0029326 k( 326) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0029326 k( 327) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0029326 k( 328) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0029326 k( 329) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0029326 k( 330) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0029326 k( 331) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0029326 k( 332) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0029326 k( 333) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0029326 k( 334) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0029326 k( 335) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0029326 k( 336) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0029326 k( 337) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0029326 k( 338) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0029326 k( 339) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0029326 k( 340) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0029326 k( 341) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029326 Dense grid: 79671 G-vectors FFT dimensions: ( 48, 48, 81) Smooth grid: 28725 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 218, 42) NL pseudopotentials 0.16 Mb ( 109, 96) Each V/rho on FFT grid 0.11 Mb ( 6912) Each G-vector array 0.02 Mb ( 2211) G-vector shells 0.01 Mb ( 992) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 218, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.12 Mb ( 96, 2, 42) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./ScAgSe2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.5 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 4.9 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.5 secs Computing kpt #: 12 total cpu time spent up to now is 5.8 secs Computing kpt #: 13 total cpu time spent up to now is 6.1 secs Computing kpt #: 14 total cpu time spent up to now is 6.4 secs Computing kpt #: 15 total cpu time spent up to now is 6.8 secs Computing kpt #: 16 total cpu time spent up to now is 7.1 secs Computing kpt #: 17 total cpu time spent up to now is 7.4 secs Computing kpt #: 18 total cpu time spent up to now is 7.8 secs Computing kpt #: 19 total cpu time spent up to now is 8.0 secs Computing kpt #: 20 total cpu time spent up to now is 8.3 secs Computing kpt #: 21 total cpu time spent up to now is 8.6 secs Computing kpt #: 22 total cpu time spent up to now is 8.9 secs Computing kpt #: 23 total cpu time spent up to now is 9.2 secs Computing kpt #: 24 total cpu time spent up to now is 9.5 secs Computing kpt #: 25 total cpu time spent up to now is 9.8 secs Computing kpt #: 26 total cpu time spent up to now is 10.0 secs Computing kpt #: 27 total cpu time spent up to now is 10.3 secs Computing kpt #: 28 total cpu time spent up to now is 10.6 secs Computing kpt #: 29 total cpu time spent up to now is 10.9 secs Computing kpt #: 30 total cpu time spent up to now is 11.2 secs Computing kpt #: 31 total cpu time spent up to now is 11.5 secs Computing kpt #: 32 total cpu time spent up to now is 11.8 secs Computing kpt #: 33 total cpu time spent up to now is 12.0 secs Computing kpt #: 34 total cpu time spent up to now is 12.3 secs Computing kpt #: 35 total cpu time spent up to now is 12.6 secs Computing kpt #: 36 total cpu time spent up to now is 12.9 secs Computing kpt #: 37 total cpu time spent up to now is 13.2 secs Computing kpt #: 38 total cpu time spent up to now is 13.5 secs Computing kpt #: 39 total cpu time spent up to now is 13.8 secs Computing kpt #: 40 total cpu time spent up to now is 14.1 secs Computing kpt #: 41 total cpu time spent up to now is 14.4 secs Computing kpt #: 42 total cpu time spent up to now is 14.7 secs Computing kpt #: 43 total cpu time spent up to now is 14.9 secs Computing kpt #: 44 total cpu time spent up to now is 15.2 secs Computing kpt #: 45 total cpu time spent up to now is 15.5 secs Computing kpt #: 46 total cpu time spent up to now is 15.8 secs Computing kpt #: 47 total cpu time spent up to now is 16.1 secs Computing kpt #: 48 total cpu time spent up to now is 16.4 secs Computing kpt #: 49 total cpu time spent up to now is 16.7 secs Computing kpt #: 50 total cpu time spent up to now is 17.0 secs Computing kpt #: 51 total cpu time spent up to now is 17.3 secs Computing kpt #: 52 total cpu time spent up to now is 17.5 secs Computing kpt #: 53 total cpu time spent up to now is 17.8 secs Computing kpt #: 54 total cpu time spent up to now is 18.1 secs Computing kpt #: 55 total cpu time spent up to now is 18.4 secs Computing kpt #: 56 total cpu time spent up to now is 18.8 secs Computing kpt #: 57 total cpu time spent up to now is 19.1 secs Computing kpt #: 58 total cpu time spent up to now is 19.4 secs Computing kpt #: 59 total cpu time spent up to now is 19.7 secs Computing kpt #: 60 total cpu time spent up to now is 20.0 secs Computing kpt #: 61 total cpu time spent up to now is 20.4 secs Computing kpt #: 62 total cpu time spent up to now is 20.7 secs Computing kpt #: 63 total cpu time spent up to now is 21.0 secs Computing kpt #: 64 total cpu time spent up to now is 21.3 secs Computing kpt #: 65 total cpu time spent up to now is 21.6 secs Computing kpt #: 66 total cpu time spent up to now is 21.9 secs Computing kpt #: 67 total cpu time spent up to now is 22.2 secs Computing kpt #: 68 total cpu time spent up to now is 22.6 secs Computing kpt #: 69 total cpu time spent up to now is 22.9 secs Computing kpt #: 70 total cpu time spent up to now is 23.2 secs Computing kpt #: 71 total cpu time spent up to now is 23.5 secs Computing kpt #: 72 total cpu time spent up to now is 23.8 secs Computing kpt #: 73 total cpu time spent up to now is 24.1 secs Computing kpt #: 74 total cpu time spent up to now is 24.4 secs Computing kpt #: 75 total cpu time spent up to now is 24.7 secs Computing kpt #: 76 total cpu time spent up to now is 25.0 secs Computing kpt #: 77 total cpu time spent up to now is 25.3 secs Computing kpt #: 78 total cpu time spent up to now is 25.6 secs Computing kpt #: 79 total cpu time spent up to now is 26.0 secs Computing kpt #: 80 total cpu time spent up to now is 26.3 secs Computing kpt #: 81 total cpu time spent up to now is 26.6 secs Computing kpt #: 82 total cpu time spent up to now is 26.9 secs Computing kpt #: 83 total cpu time spent up to now is 27.2 secs Computing kpt #: 84 total cpu time spent up to now is 27.5 secs Computing kpt #: 85 total cpu time spent up to now is 27.8 secs Computing kpt #: 86 total cpu time spent up to now is 28.1 secs Computing kpt #: 87 total cpu time spent up to now is 28.4 secs Computing kpt #: 88 total cpu time spent up to now is 28.7 secs Computing kpt #: 89 total cpu time spent up to now is 29.0 secs Computing kpt #: 90 total cpu time spent up to now is 29.3 secs Computing kpt #: 91 total cpu time spent up to now is 29.6 secs Computing kpt #: 92 total cpu time spent up to now is 29.8 secs Computing kpt #: 93 total cpu time spent up to now is 30.1 secs Computing kpt #: 94 total cpu time spent up to now is 30.4 secs Computing kpt #: 95 total cpu time spent up to now is 30.7 secs Computing kpt #: 96 total cpu time spent up to now is 31.0 secs Computing kpt #: 97 total cpu time spent up to now is 31.3 secs Computing kpt #: 98 total cpu time spent up to now is 31.5 secs Computing kpt #: 99 total cpu time spent up to now is 31.8 secs Computing kpt #: 100 total cpu time spent up to now is 32.1 secs Computing kpt #: 101 total cpu time spent up to now is 32.4 secs Computing kpt #: 102 total cpu time spent up to now is 32.7 secs Computing kpt #: 103 total cpu time spent up to now is 33.0 secs Computing kpt #: 104 total cpu time spent up to now is 33.2 secs Computing kpt #: 105 total cpu time spent up to now is 33.5 secs Computing kpt #: 106 total cpu time spent up to now is 33.8 secs Computing kpt #: 107 total cpu time spent up to now is 34.1 secs Computing kpt #: 108 total cpu time spent up to now is 34.4 secs Computing kpt #: 109 total cpu time spent up to now is 34.7 secs Computing kpt #: 110 total cpu time spent up to now is 35.0 secs Computing kpt #: 111 total cpu time spent up to now is 35.3 secs Computing kpt #: 112 total cpu time spent up to now is 35.6 secs Computing kpt #: 113 total cpu time spent up to now is 35.9 secs Computing kpt #: 114 total cpu time spent up to now is 36.2 secs Computing kpt #: 115 total cpu time spent up to now is 36.5 secs Computing kpt #: 116 total cpu time spent up to now is 36.9 secs Computing kpt #: 117 total cpu time spent up to now is 37.2 secs Computing kpt #: 118 total cpu time spent up to now is 37.6 secs Computing kpt #: 119 total cpu time spent up to now is 38.0 secs Computing kpt #: 120 total cpu time spent up to now is 38.3 secs Computing kpt #: 121 total cpu time spent up to now is 38.6 secs Computing kpt #: 122 total cpu time spent up to now is 38.9 secs Computing kpt #: 123 total cpu time spent up to now is 39.2 secs Computing kpt #: 124 total cpu time spent up to now is 39.5 secs Computing kpt #: 125 total cpu time spent up to now is 39.8 secs Computing kpt #: 126 total cpu time spent up to now is 40.0 secs Computing kpt #: 127 total cpu time spent up to now is 40.3 secs Computing kpt #: 128 total cpu time spent up to now is 40.6 secs Computing kpt #: 129 total cpu time spent up to now is 40.8 secs Computing kpt #: 130 total cpu time spent up to now is 41.1 secs Computing kpt #: 131 total cpu time spent up to now is 41.4 secs Computing kpt #: 132 total cpu time spent up to now is 41.6 secs Computing kpt #: 133 total cpu time spent up to now is 41.9 secs Computing kpt #: 134 total cpu time spent up to now is 42.2 secs Computing kpt #: 135 total cpu time spent up to now is 42.4 secs Computing kpt #: 136 total cpu time spent up to now is 42.7 secs Computing kpt #: 137 total cpu time spent up to now is 43.0 secs Computing kpt #: 138 total cpu time spent up to now is 43.2 secs Computing kpt #: 139 total cpu time spent up to now is 43.5 secs Computing kpt #: 140 total cpu time spent up to now is 43.8 secs Computing kpt #: 141 total cpu time spent up to now is 44.0 secs Computing kpt #: 142 total cpu time spent up to now is 44.3 secs Computing kpt #: 143 total cpu time spent up to now is 44.6 secs Computing kpt #: 144 total cpu time spent up to now is 44.8 secs Computing kpt #: 145 total cpu time spent up to now is 45.1 secs Computing kpt #: 146 total cpu time spent up to now is 45.4 secs Computing kpt #: 147 total cpu time spent up to now is 45.7 secs Computing kpt #: 148 total cpu time spent up to now is 46.0 secs Computing kpt #: 149 total cpu time spent up to now is 46.3 secs Computing kpt #: 150 total cpu time spent up to now is 46.6 secs Computing kpt #: 151 total cpu time spent up to now is 47.0 secs Computing kpt #: 152 total cpu time spent up to now is 47.3 secs Computing kpt #: 153 total cpu time spent up to now is 47.6 secs Computing kpt #: 154 total cpu time spent up to now is 47.9 secs Computing kpt #: 155 total cpu time spent up to now is 48.2 secs Computing kpt #: 156 total cpu time spent up to now is 48.5 secs Computing kpt #: 157 total cpu time spent up to now is 48.8 secs Computing kpt #: 158 total cpu time spent up to now is 49.1 secs Computing kpt #: 159 total cpu time spent up to now is 49.4 secs Computing kpt #: 160 total cpu time spent up to now is 49.8 secs Computing kpt #: 161 total cpu time spent up to now is 50.1 secs Computing kpt #: 162 total cpu time spent up to now is 50.4 secs Computing kpt #: 163 total cpu time spent up to now is 50.7 secs Computing kpt #: 164 total cpu time spent up to now is 51.0 secs Computing kpt #: 165 total cpu time spent up to now is 51.3 secs Computing kpt #: 166 total cpu time spent up to now is 51.5 secs Computing kpt #: 167 total cpu time spent up to now is 51.8 secs Computing kpt #: 168 total cpu time spent up to now is 52.1 secs Computing kpt #: 169 total cpu time spent up to now is 52.4 secs Computing kpt #: 170 total cpu time spent up to now is 52.7 secs Computing kpt #: 171 total cpu time spent up to now is 52.9 secs Computing kpt #: 172 total cpu time spent up to now is 53.2 secs Computing kpt #: 173 total cpu time spent up to now is 53.5 secs Computing kpt #: 174 total cpu time spent up to now is 53.8 secs Computing kpt #: 175 total cpu time spent up to now is 54.0 secs Computing kpt #: 176 total cpu time spent up to now is 54.3 secs Computing kpt #: 177 total cpu time spent up to now is 54.6 secs Computing kpt #: 178 total cpu time spent up to now is 54.9 secs Computing kpt #: 179 total cpu time spent up to now is 55.1 secs Computing kpt #: 180 total cpu time spent up to now is 55.4 secs Computing kpt #: 181 total cpu time spent up to now is 55.7 secs Computing kpt #: 182 total cpu time spent up to now is 56.0 secs Computing kpt #: 183 total cpu time spent up to now is 56.3 secs Computing kpt #: 184 total cpu time spent up to now is 56.6 secs Computing kpt #: 185 total cpu time spent up to now is 56.9 secs Computing kpt #: 186 total cpu time spent up to now is 57.1 secs Computing kpt #: 187 total cpu time spent up to now is 57.4 secs Computing kpt #: 188 total cpu time spent up to now is 57.7 secs Computing kpt #: 189 total cpu time spent up to now is 58.0 secs Computing kpt #: 190 total cpu time spent up to now is 58.3 secs Computing kpt #: 191 total cpu time spent up to now is 58.6 secs Computing kpt #: 192 total cpu time spent up to now is 58.9 secs Computing kpt #: 193 total cpu time spent up to now is 59.2 secs Computing kpt #: 194 total cpu time spent up to now is 59.5 secs Computing kpt #: 195 total cpu time spent up to now is 59.8 secs Computing kpt #: 196 total cpu time spent up to now is 60.1 secs Computing kpt #: 197 total cpu time spent up to now is 60.5 secs Computing kpt #: 198 total cpu time spent up to now is 60.8 secs Computing kpt #: 199 total cpu time spent up to now is 61.1 secs Computing kpt #: 200 total cpu time spent up to now is 61.4 secs Computing kpt #: 201 total cpu time spent up to now is 61.7 secs Computing kpt #: 202 total cpu time spent up to now is 62.0 secs Computing kpt #: 203 total cpu time spent up to now is 62.4 secs Computing kpt #: 204 total cpu time spent up to now is 62.7 secs Computing kpt #: 205 total cpu time spent up to now is 63.0 secs Computing kpt #: 206 total cpu time spent up to now is 63.3 secs Computing kpt #: 207 total cpu time spent up to now is 63.7 secs Computing kpt #: 208 total cpu time spent up to now is 64.0 secs Computing kpt #: 209 total cpu time spent up to now is 64.3 secs Computing kpt #: 210 total cpu time spent up to now is 64.6 secs Computing kpt #: 211 total cpu time spent up to now is 64.9 secs Computing kpt #: 212 total cpu time spent up to now is 65.3 secs Computing kpt #: 213 total cpu time spent up to now is 65.6 secs Computing kpt #: 214 total cpu time spent up to now is 65.9 secs Computing kpt #: 215 total cpu time spent up to now is 66.2 secs Computing kpt #: 216 total cpu time spent up to now is 66.5 secs Computing kpt #: 217 total cpu time spent up to now is 66.8 secs Computing kpt #: 218 total cpu time spent up to now is 67.1 secs Computing kpt #: 219 total cpu time spent up to now is 67.5 secs Computing kpt #: 220 total cpu time spent up to now is 67.8 secs Computing kpt #: 221 total cpu time spent up to now is 68.1 secs Computing kpt #: 222 total cpu time spent up to now is 68.4 secs Computing kpt #: 223 total cpu time spent up to now is 68.7 secs Computing kpt #: 224 total cpu time spent up to now is 69.0 secs Computing kpt #: 225 total cpu time spent up to now is 69.3 secs Computing kpt #: 226 total cpu time spent up to now is 69.6 secs Computing kpt #: 227 total cpu time spent up to now is 69.9 secs Computing kpt #: 228 total cpu time spent up to now is 70.2 secs Computing kpt #: 229 total cpu time spent up to now is 70.5 secs Computing kpt #: 230 total cpu time spent up to now is 70.9 secs Computing kpt #: 231 total cpu time spent up to now is 71.2 secs Computing kpt #: 232 total cpu time spent up to now is 71.5 secs Computing kpt #: 233 total cpu time spent up to now is 71.8 secs Computing kpt #: 234 total cpu time spent up to now is 72.2 secs Computing kpt #: 235 total cpu time spent up to now is 72.5 secs Computing kpt #: 236 total cpu time spent up to now is 72.9 secs Computing kpt #: 237 total cpu time spent up to now is 73.3 secs Computing kpt #: 238 total cpu time spent up to now is 73.6 secs Computing kpt #: 239 total cpu time spent up to now is 74.0 secs Computing kpt #: 240 total cpu time spent up to now is 74.3 secs Computing kpt #: 241 total cpu time spent up to now is 74.6 secs Computing kpt #: 242 total cpu time spent up to now is 74.9 secs Computing kpt #: 243 total cpu time spent up to now is 75.3 secs Computing kpt #: 244 total cpu time spent up to now is 75.6 secs Computing kpt #: 245 total cpu time spent up to now is 76.0 secs Computing kpt #: 246 total cpu time spent up to now is 76.3 secs Computing kpt #: 247 total cpu time spent up to now is 76.7 secs Computing kpt #: 248 total cpu time spent up to now is 77.0 secs Computing kpt #: 249 total cpu time spent up to now is 77.3 secs Computing kpt #: 250 total cpu time spent up to now is 77.6 secs Computing kpt #: 251 total cpu time spent up to now is 77.9 secs Computing kpt #: 252 total cpu time spent up to now is 78.2 secs Computing kpt #: 253 total cpu time spent up to now is 78.5 secs Computing kpt #: 254 total cpu time spent up to now is 78.9 secs Computing kpt #: 255 total cpu time spent up to now is 79.2 secs Computing kpt #: 256 total cpu time spent up to now is 79.5 secs Computing kpt #: 257 total cpu time spent up to now is 79.8 secs Computing kpt #: 258 total cpu time spent up to now is 80.1 secs Computing kpt #: 259 total cpu time spent up to now is 80.5 secs Computing kpt #: 260 total cpu time spent up to now is 80.8 secs Computing kpt #: 261 total cpu time spent up to now is 81.1 secs Computing kpt #: 262 total cpu time spent up to now is 81.4 secs Computing kpt #: 263 total cpu time spent up to now is 81.7 secs Computing kpt #: 264 total cpu time spent up to now is 82.1 secs Computing kpt #: 265 total cpu time spent up to now is 82.4 secs Computing kpt #: 266 total cpu time spent up to now is 82.7 secs Computing kpt #: 267 total cpu time spent up to now is 83.0 secs Computing kpt #: 268 total cpu time spent up to now is 83.3 secs Computing kpt #: 269 total cpu time spent up to now is 83.6 secs Computing kpt #: 270 total cpu time spent up to now is 83.8 secs Computing kpt #: 271 total cpu time spent up to now is 84.1 secs Computing kpt #: 272 total cpu time spent up to now is 84.4 secs Computing kpt #: 273 total cpu time spent up to now is 84.7 secs Computing kpt #: 274 total cpu time spent up to now is 85.0 secs Computing kpt #: 275 total cpu time spent up to now is 85.2 secs Computing kpt #: 276 total cpu time spent up to now is 85.5 secs Computing kpt #: 277 total cpu time spent up to now is 85.8 secs Computing kpt #: 278 total cpu time spent up to now is 86.0 secs Computing kpt #: 279 total cpu time spent up to now is 86.3 secs Computing kpt #: 280 total cpu time spent up to now is 86.6 secs Computing kpt #: 281 total cpu time spent up to now is 86.9 secs Computing kpt #: 282 total cpu time spent up to now is 87.2 secs Computing kpt #: 283 total cpu time spent up to now is 87.4 secs Computing kpt #: 284 total cpu time spent up to now is 87.7 secs Computing kpt #: 285 total cpu time spent up to now is 88.0 secs Computing kpt #: 286 total cpu time spent up to now is 88.3 secs Computing kpt #: 287 total cpu time spent up to now is 88.6 secs Computing kpt #: 288 total cpu time spent up to now is 88.9 secs Computing kpt #: 289 total cpu time spent up to now is 89.2 secs Computing kpt #: 290 total cpu time spent up to now is 89.5 secs Computing kpt #: 291 total cpu time spent up to now is 89.8 secs Computing kpt #: 292 total cpu time spent up to now is 90.2 secs Computing kpt #: 293 total cpu time spent up to now is 90.5 secs Computing kpt #: 294 total cpu time spent up to now is 90.8 secs Computing kpt #: 295 total cpu time spent up to now is 91.2 secs Computing kpt #: 296 total cpu time spent up to now is 91.5 secs Computing kpt #: 297 total cpu time spent up to now is 91.8 secs Computing kpt #: 298 total cpu time spent up to now is 92.2 secs Computing kpt #: 299 total cpu time spent up to now is 92.5 secs Computing kpt #: 300 total cpu time spent up to now is 92.8 secs Computing kpt #: 301 total cpu time spent up to now is 93.1 secs Computing kpt #: 302 total cpu time spent up to now is 93.4 secs Computing kpt #: 303 total cpu time spent up to now is 93.7 secs Computing kpt #: 304 total cpu time spent up to now is 94.1 secs Computing kpt #: 305 total cpu time spent up to now is 94.4 secs Computing kpt #: 306 total cpu time spent up to now is 94.7 secs Computing kpt #: 307 total cpu time spent up to now is 95.0 secs Computing kpt #: 308 total cpu time spent up to now is 95.3 secs Computing kpt #: 309 total cpu time spent up to now is 95.6 secs Computing kpt #: 310 total cpu time spent up to now is 95.9 secs Computing kpt #: 311 total cpu time spent up to now is 96.2 secs Computing kpt #: 312 total cpu time spent up to now is 96.5 secs Computing kpt #: 313 total cpu time spent up to now is 96.8 secs Computing kpt #: 314 total cpu time spent up to now is 97.1 secs Computing kpt #: 315 total cpu time spent up to now is 97.4 secs Computing kpt #: 316 total cpu time spent up to now is 97.7 secs Computing kpt #: 317 total cpu time spent up to now is 98.0 secs Computing kpt #: 318 total cpu time spent up to now is 98.3 secs Computing kpt #: 319 total cpu time spent up to now is 98.6 secs Computing kpt #: 320 total cpu time spent up to now is 99.0 secs Computing kpt #: 321 total cpu time spent up to now is 99.3 secs Computing kpt #: 322 total cpu time spent up to now is 99.6 secs Computing kpt #: 323 total cpu time spent up to now is 99.9 secs Computing kpt #: 324 total cpu time spent up to now is 100.3 secs Computing kpt #: 325 total cpu time spent up to now is 100.7 secs Computing kpt #: 326 total cpu time spent up to now is 101.0 secs Computing kpt #: 327 total cpu time spent up to now is 101.4 secs Computing kpt #: 328 total cpu time spent up to now is 101.7 secs Computing kpt #: 329 total cpu time spent up to now is 102.0 secs Computing kpt #: 330 total cpu time spent up to now is 102.4 secs Computing kpt #: 331 total cpu time spent up to now is 102.7 secs Computing kpt #: 332 total cpu time spent up to now is 103.1 secs Computing kpt #: 333 total cpu time spent up to now is 103.4 secs Computing kpt #: 334 total cpu time spent up to now is 103.7 secs Computing kpt #: 335 total cpu time spent up to now is 104.1 secs Computing kpt #: 336 total cpu time spent up to now is 104.4 secs Computing kpt #: 337 total cpu time spent up to now is 104.7 secs Computing kpt #: 338 total cpu time spent up to now is 105.1 secs Computing kpt #: 339 total cpu time spent up to now is 105.5 secs Computing kpt #: 340 total cpu time spent up to now is 105.9 secs Computing kpt #: 341 total cpu time spent up to now is 106.3 secs ethr = 2.94E-08, avg # of iterations = 16.9 total cpu time spent up to now is 106.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3599 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8398 -19.8398 -19.8084 -19.8084 -4.9314 -4.9314 -3.9913 -3.9913 3.0196 3.0196 4.2343 4.2343 4.2764 4.2764 4.8121 4.8121 5.0478 5.0478 5.1584 5.1584 6.9096 6.9096 7.0100 7.0100 7.3321 7.3321 7.8065 7.8065 7.9810 7.9810 10.1174 10.1174 10.1251 10.1251 10.3151 10.3151 10.6831 10.6831 k = 0.0106 0.0061-0.0000 ( 3597 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8398 -19.8398 -19.8084 -19.8084 -4.9305 -4.9305 -3.9911 -3.9911 3.0210 3.0210 4.2344 4.2344 4.2764 4.2764 4.8120 4.8120 5.0474 5.0474 5.1582 5.1582 6.9023 6.9023 7.0018 7.0018 7.3429 7.3429 7.8047 7.8047 7.9753 7.9753 10.1184 10.1184 10.1261 10.1261 10.3173 10.3173 10.6899 10.6899 k = 0.0213 0.0123-0.0000 ( 3607 PWs) bands (ev): -41.3953 -41.3953 -20.3341 -20.3341 -19.8398 -19.8398 -19.8086 -19.8086 -4.9279 -4.9279 -3.9906 -3.9906 3.0253 3.0253 4.2345 4.2345 4.2763 4.2763 4.8118 4.8118 5.0463 5.0463 5.1574 5.1574 6.8770 6.8770 6.9859 6.9859 7.3696 7.3696 7.7994 7.7994 7.9595 7.9595 10.1205 10.1205 10.1297 10.1297 10.3237 10.3237 10.7105 10.7105 k = 0.0319 0.0184-0.0000 ( 3617 PWs) bands (ev): -41.3952 -41.3952 -20.3342 -20.3342 -19.8399 -19.8399 -19.8088 -19.8088 -4.9236 -4.9236 -3.9899 -3.9899 3.0324 3.0324 4.2347 4.2347 4.2761 4.2761 4.8114 4.8114 5.0445 5.0445 5.1561 5.1561 6.8315 6.8315 6.9738 6.9738 7.3998 7.3998 7.7911 7.7911 7.9372 7.9372 10.1217 10.1217 10.1373 10.1373 10.3328 10.3328 10.7453 10.7453 k = 0.0426 0.0246-0.0000 ( 3613 PWs) bands (ev): -41.3952 -41.3952 -20.3343 -20.3343 -19.8399 -19.8399 -19.8092 -19.8092 -4.9176 -4.9176 -3.9888 -3.9888 3.0423 3.0423 4.2351 4.2351 4.2760 4.2760 4.8108 4.8108 5.0421 5.0421 5.1543 5.1543 6.7715 6.7715 6.9669 6.9669 7.4218 7.4218 7.7812 7.7812 7.9143 7.9143 10.1213 10.1213 10.1486 10.1486 10.3434 10.3434 10.7948 10.7948 k = 0.0532 0.0307-0.0000 ( 3611 PWs) bands (ev): -41.3951 -41.3951 -20.3345 -20.3345 -19.8400 -19.8400 -19.8096 -19.8096 -4.9099 -4.9099 -3.9874 -3.9874 3.0550 3.0550 4.2355 4.2355 4.2758 4.2758 4.8100 4.8100 5.0390 5.0390 5.1520 5.1520 6.7031 6.7031 6.9625 6.9625 7.4244 7.4244 7.7723 7.7723 7.8977 7.8977 10.1189 10.1189 10.1631 10.1631 10.3539 10.3539 10.8580 10.8580 k = 0.0638 0.0369-0.0000 ( 3603 PWs) bands (ev): -41.3951 -41.3951 -20.3347 -20.3347 -19.8400 -19.8400 -19.8101 -19.8101 -4.9005 -4.9005 -3.9857 -3.9857 3.0705 3.0705 4.2359 4.2359 4.2757 4.2757 4.8090 4.8090 5.0352 5.0352 5.1492 5.1492 6.6299 6.6299 6.9593 6.9593 7.4005 7.4005 7.7652 7.7652 7.8940 7.8940 10.1146 10.1146 10.1805 10.1805 10.3639 10.3639 10.9332 10.9332 k = 0.0745 0.0430-0.0000 ( 3603 PWs) bands (ev): -41.3950 -41.3950 -20.3350 -20.3350 -19.8401 -19.8401 -19.8107 -19.8107 -4.8895 -4.8895 -3.9837 -3.9837 3.0888 3.0888 4.2362 4.2362 4.2756 4.2756 4.8074 4.8074 5.0306 5.0306 5.1458 5.1458 6.5541 6.5541 6.9564 6.9564 7.3509 7.3509 7.7565 7.7565 7.9068 7.9068 10.1082 10.1082 10.2004 10.2004 10.3730 10.3730 11.0176 11.0176 k = 0.0851 0.0491-0.0000 ( 3609 PWs) bands (ev): -41.3950 -41.3950 -20.3353 -20.3353 -19.8403 -19.8403 -19.8114 -19.8114 -4.8769 -4.8769 -3.9814 -3.9814 3.1098 3.1098 4.2365 4.2365 4.2754 4.2754 4.8052 4.8052 5.0254 5.0254 5.1418 5.1418 6.4766 6.4766 6.9532 6.9532 7.2819 7.2819 7.7439 7.7439 7.9335 7.9335 10.0997 10.0997 10.2225 10.2225 10.3817 10.3817 11.1075 11.1075 k = 0.0957 0.0553-0.0000 ( 3607 PWs) bands (ev): -41.3949 -41.3949 -20.3357 -20.3357 -19.8404 -19.8404 -19.8121 -19.8121 -4.8627 -4.8627 -3.9789 -3.9789 3.1334 3.1334 4.2366 4.2366 4.2755 4.2755 4.8024 4.8024 5.0194 5.0194 5.1373 5.1373 6.3985 6.3985 6.9494 6.9494 7.2005 7.2005 7.7276 7.7276 7.9683 7.9683 10.0891 10.0891 10.2465 10.2465 10.3902 10.3902 11.1977 11.1977 k = 0.1064 0.0614-0.0000 ( 3611 PWs) bands (ev): -41.3948 -41.3948 -20.3361 -20.3361 -19.8406 -19.8406 -19.8129 -19.8129 -4.8469 -4.8469 -3.9761 -3.9761 3.1596 3.1596 4.2367 4.2367 4.2755 4.2755 4.7984 4.7984 5.0129 5.0129 5.1322 5.1322 6.3202 6.3202 6.9442 6.9442 7.1125 7.1125 7.7089 7.7089 8.0062 8.0062 10.0763 10.0763 10.2719 10.2719 10.3990 10.3990 11.2800 11.2800 k = 0.1170 0.0676-0.0000 ( 3611 PWs) bands (ev): -41.3947 -41.3947 -20.3365 -20.3365 -19.8407 -19.8407 -19.8138 -19.8138 -4.8297 -4.8297 -3.9731 -3.9731 3.1884 3.1884 4.2366 4.2366 4.2756 4.2756 4.7931 4.7931 5.0057 5.0057 5.1267 5.1267 6.2421 6.2421 6.9334 6.9334 7.0251 7.0251 7.6886 7.6886 8.0438 8.0438 10.0612 10.0612 10.2986 10.2986 10.4084 10.4084 11.3423 11.3423 k = 0.1277 0.0737-0.0000 ( 3615 PWs) bands (ev): -41.3946 -41.3946 -20.3370 -20.3370 -19.8410 -19.8410 -19.8147 -19.8147 -4.8109 -4.8109 -3.9698 -3.9698 3.2196 3.2196 4.2364 4.2364 4.2757 4.2757 4.7860 4.7860 4.9981 4.9981 5.1208 5.1208 6.1648 6.1648 6.8928 6.8928 6.9653 6.9653 7.6672 7.6672 8.0791 8.0791 10.0439 10.0439 10.3262 10.3262 10.4188 10.4188 11.3755 11.3755 k = 0.1383 0.0798-0.0000 ( 3619 PWs) bands (ev): -41.3945 -41.3945 -20.3375 -20.3375 -19.8412 -19.8412 -19.8157 -19.8157 -4.7908 -4.7908 -3.9663 -3.9663 3.2532 3.2532 4.2361 4.2361 4.2758 4.2758 4.7763 4.7763 4.9901 4.9901 5.1145 5.1145 6.0886 6.0886 6.8092 6.8092 6.9479 6.9479 7.6450 7.6450 8.1108 8.1108 10.0242 10.0242 10.3543 10.3543 10.4305 10.4305 11.3851 11.3851 k = 0.1489 0.0860-0.0000 ( 3613 PWs) bands (ev): -41.3943 -41.3943 -20.3380 -20.3380 -19.8415 -19.8415 -19.8166 -19.8166 -4.7693 -4.7693 -3.9626 -3.9626 3.2891 3.2891 4.2358 4.2358 4.2758 4.2758 4.7635 4.7635 4.9821 4.9821 5.1082 5.1082 6.0139 6.0139 6.7174 6.7174 6.9395 6.9395 7.6224 7.6224 8.1379 8.1379 10.0024 10.0024 10.3827 10.3827 10.4436 10.4436 11.3840 11.3840 k = 0.1596 0.0921-0.0000 ( 3615 PWs) bands (ev): -41.3942 -41.3942 -20.3385 -20.3385 -19.8418 -19.8418 -19.8176 -19.8176 -4.7465 -4.7465 -3.9587 -3.9587 3.3271 3.3271 4.2355 4.2355 4.2755 4.2755 4.7467 4.7467 4.9743 4.9743 5.1018 5.1018 5.9411 5.9411 6.6263 6.6263 6.9324 6.9324 7.5995 7.5995 8.1595 8.1595 9.9786 9.9786 10.4110 10.4110 10.4584 10.4584 11.3807 11.3807 k = 0.1702 0.0983-0.0000 ( 3615 PWs) bands (ev): -41.3941 -41.3941 -20.3391 -20.3391 -19.8421 -19.8421 -19.8187 -19.8187 -4.7225 -4.7225 -3.9547 -3.9547 3.3671 3.3671 4.2354 4.2354 4.2751 4.2751 4.7250 4.7250 4.9669 4.9669 5.0957 5.0957 5.8707 5.8707 6.5382 6.5382 6.9251 6.9251 7.5766 7.5766 8.1753 8.1753 9.9530 9.9530 10.4391 10.4391 10.4748 10.4748 11.3793 11.3793 k = 0.1809 0.1044-0.0000 ( 3611 PWs) bands (ev): -41.3939 -41.3939 -20.3397 -20.3397 -19.8425 -19.8425 -19.8197 -19.8197 -4.6974 -4.6974 -3.9505 -3.9505 3.4088 3.4088 4.2353 4.2353 4.2742 4.2742 4.6978 4.6978 4.9603 4.9603 5.0902 5.0902 5.8028 5.8028 6.4542 6.4542 6.9173 6.9173 7.5539 7.5539 8.1848 8.1848 9.9259 9.9259 10.4666 10.4666 10.4931 10.4931 11.3817 11.3817 k = 0.1915 0.1106-0.0000 ( 3619 PWs) bands (ev): -41.3938 -41.3938 -20.3404 -20.3404 -19.8430 -19.8430 -19.8207 -19.8207 -4.6712 -4.6712 -3.9462 -3.9462 3.4522 3.4522 4.2354 4.2354 4.2727 4.2727 4.6648 4.6648 4.9544 4.9544 5.0853 5.0853 5.7379 5.7379 6.3751 6.3751 6.9087 6.9087 7.5315 7.5315 8.1877 8.1877 9.8977 9.8977 10.4933 10.4933 10.5131 10.5131 11.3888 11.3888 k = 0.2021 0.1167-0.0000 ( 3617 PWs) bands (ev): -41.3937 -41.3937 -20.3410 -20.3410 -19.8435 -19.8435 -19.8217 -19.8217 -4.6440 -4.6440 -3.9418 -3.9418 3.4968 3.4968 4.2354 4.2354 4.2707 4.2707 4.6263 4.6263 4.9493 4.9493 5.0813 5.0813 5.6763 5.6763 6.3015 6.3015 6.8993 6.8993 7.5097 7.5097 8.1841 8.1841 9.8689 9.8689 10.5192 10.5192 10.5348 10.5348 11.4005 11.4005 k = 0.2128 0.1228-0.0000 ( 3613 PWs) bands (ev): -41.3935 -41.3935 -20.3417 -20.3417 -19.8440 -19.8440 -19.8227 -19.8227 -4.6159 -4.6159 -3.9373 -3.9373 3.5425 3.5425 4.2347 4.2347 4.2683 4.2683 4.5829 4.5829 4.9448 4.9448 5.0784 5.0784 5.6177 5.6177 6.2338 6.2338 6.8890 6.8890 7.4884 7.4884 8.1738 8.1738 9.8400 9.8400 10.5444 10.5444 10.5579 10.5579 11.4167 11.4167 k = 0.2234 0.1290-0.0000 ( 3612 PWs) bands (ev): -41.3934 -41.3934 -20.3424 -20.3424 -19.8446 -19.8446 -19.8236 -19.8236 -4.5870 -4.5870 -3.9328 -3.9328 3.5887 3.5887 4.2319 4.2319 4.2661 4.2661 4.5364 4.5364 4.9408 4.9408 5.0767 5.0767 5.5622 5.5622 6.1722 6.1722 6.8776 6.8776 7.4679 7.4679 8.1569 8.1569 9.8114 9.8114 10.5689 10.5689 10.5820 10.5820 11.4370 11.4370 k = 0.2340 0.1351-0.0000 ( 3610 PWs) bands (ev): -41.3932 -41.3932 -20.3430 -20.3430 -19.8453 -19.8453 -19.8245 -19.8245 -4.5574 -4.5574 -3.9282 -3.9282 3.6350 3.6350 4.2238 4.2238 4.2654 4.2654 4.4895 4.4895 4.9369 4.9369 5.0761 5.0761 5.5098 5.5098 6.1168 6.1168 6.8652 6.8652 7.4481 7.4481 8.1338 8.1338 9.7835 9.7835 10.5930 10.5930 10.6069 10.6069 11.4605 11.4605 k = 0.2447 0.1413-0.0000 ( 3612 PWs) bands (ev): -41.3930 -41.3930 -20.3438 -20.3438 -19.8460 -19.8460 -19.8253 -19.8253 -4.5272 -4.5272 -3.9237 -3.9237 3.6807 3.6807 4.2064 4.2064 4.2669 4.2669 4.4467 4.4467 4.9332 4.9332 5.0765 5.0765 5.4604 5.4604 6.0675 6.0675 6.8519 6.8519 7.4293 7.4293 8.1045 8.1045 9.7566 9.7566 10.6164 10.6164 10.6325 10.6325 11.4865 11.4865 k = 0.2553 0.1474-0.0000 ( 3600 PWs) bands (ev): -41.3929 -41.3929 -20.3444 -20.3444 -19.8468 -19.8468 -19.8260 -19.8260 -4.4965 -4.4965 -3.9191 -3.9191 3.7251 3.7251 4.1764 4.1764 4.2700 4.2700 4.4139 4.4139 4.9294 4.9294 5.0777 5.0777 5.4141 5.4141 6.0241 6.0241 6.8376 6.8376 7.4114 7.4114 8.0696 8.0696 9.7310 9.7310 10.6391 10.6391 10.6589 10.6589 11.5141 11.5141 k = 0.2660 0.1536-0.0000 ( 3604 PWs) bands (ev): -41.3927 -41.3927 -20.3452 -20.3452 -19.8476 -19.8476 -19.8267 -19.8267 -4.4654 -4.4654 -3.9147 -3.9147 3.7671 3.7671 4.1326 4.1326 4.2732 4.2732 4.3953 4.3953 4.9255 4.9255 5.0790 5.0790 5.3710 5.3710 5.9863 5.9863 6.8222 6.8222 7.3944 7.3944 8.0293 8.0293 9.7069 9.7069 10.6610 10.6610 10.6862 10.6862 11.5423 11.5423 k = 0.2766 0.1597-0.0000 ( 3602 PWs) bands (ev): -41.3926 -41.3926 -20.3459 -20.3459 -19.8485 -19.8485 -19.8273 -19.8273 -4.4341 -4.4341 -3.9103 -3.9103 3.8053 3.8053 4.0780 4.0780 4.2749 4.2749 4.3920 4.3920 4.9215 4.9215 5.0797 5.0797 5.3319 5.3319 5.9536 5.9536 6.8060 6.8060 7.3784 7.3784 7.9843 7.9843 9.6844 9.6844 10.6821 10.6821 10.7141 10.7141 11.5700 11.5700 k = 0.2872 0.1658-0.0000 ( 3606 PWs) bands (ev): -41.3924 -41.3924 -20.3466 -20.3466 -19.8495 -19.8495 -19.8279 -19.8279 -4.4026 -4.4026 -3.9060 -3.9060 3.8369 3.8369 4.0185 4.0185 4.2744 4.2744 4.4022 4.4022 4.9173 4.9173 5.0785 5.0785 5.2977 5.2977 5.9255 5.9255 6.7890 6.7890 7.3634 7.3634 7.9349 7.9349 9.6635 9.6635 10.7024 10.7024 10.7427 10.7427 11.5962 11.5962 k = 0.2979 0.1720-0.0000 ( 3600 PWs) bands (ev): -41.3923 -41.3923 -20.3473 -20.3473 -19.8504 -19.8504 -19.8284 -19.8284 -4.3712 -4.3712 -3.9019 -3.9019 3.8526 3.8526 3.9663 3.9663 4.2721 4.2721 4.4233 4.4233 4.9130 4.9130 5.0740 5.0740 5.2702 5.2702 5.9016 5.9016 6.7712 6.7712 7.3494 7.3494 7.8817 7.8817 9.6443 9.6443 10.7221 10.7221 10.7716 10.7716 11.6199 11.6199 k = 0.3085 0.1781-0.0000 ( 3596 PWs) bands (ev): -41.3921 -41.3921 -20.3480 -20.3480 -19.8514 -19.8514 -19.8288 -19.8288 -4.3399 -4.3399 -3.8979 -3.8979 3.8279 3.8279 3.9480 3.9480 4.2687 4.2687 4.4529 4.4529 4.9085 4.9085 5.0647 5.0647 5.2508 5.2508 5.8813 5.8813 6.7529 6.7529 7.3362 7.3362 7.8254 7.8254 9.6267 9.6267 10.7413 10.7413 10.8008 10.8008 11.6401 11.6401 k = 0.3191 0.1843-0.0000 ( 3588 PWs) bands (ev): -41.3920 -41.3920 -20.3486 -20.3486 -19.8524 -19.8524 -19.8292 -19.8292 -4.3089 -4.3089 -3.8942 -3.8942 3.7693 3.7693 3.9587 3.9587 4.2647 4.2647 4.4891 4.4891 4.9037 4.9037 5.0505 5.0505 5.2400 5.2400 5.8643 5.8643 6.7341 6.7341 7.3238 7.3238 7.7663 7.7663 9.6107 9.6107 10.7600 10.7600 10.8302 10.8302 11.6561 11.6561 k = 0.3298 0.1904-0.0000 ( 3578 PWs) bands (ev): -41.3919 -41.3919 -20.3493 -20.3493 -19.8534 -19.8534 -19.8295 -19.8295 -4.2783 -4.2783 -3.8907 -3.8907 3.7017 3.7017 3.9750 3.9750 4.2604 4.2604 4.5303 4.5303 4.8983 4.8983 5.0331 5.0331 5.2369 5.2369 5.8498 5.8498 6.7150 6.7150 7.3123 7.3123 7.7050 7.7050 9.5960 9.5960 10.7781 10.7781 10.8594 10.8594 11.6674 11.6674 k = 0.3404 0.1965-0.0000 ( 3580 PWs) bands (ev): -41.3917 -41.3917 -20.3499 -20.3499 -19.8544 -19.8544 -19.8298 -19.8298 -4.2482 -4.2482 -3.8875 -3.8875 3.6326 3.6326 3.9906 3.9906 4.2560 4.2560 4.5744 4.5744 4.8917 4.8917 5.0157 5.0157 5.2395 5.2395 5.8376 5.8376 6.6957 6.6957 7.3014 7.3014 7.6422 7.6422 9.5827 9.5827 10.7958 10.7958 10.8883 10.8883 11.6739 11.6739 k = 0.3511 0.2027-0.0000 ( 3580 PWs) bands (ev): -41.3916 -41.3916 -20.3505 -20.3505 -19.8554 -19.8554 -19.8300 -19.8300 -4.2189 -4.2189 -3.8846 -3.8846 3.5645 3.5645 4.0044 4.0044 4.2515 4.2515 4.6195 4.6195 4.8828 4.8828 5.0020 5.0020 5.2460 5.2460 5.8273 5.8273 6.6764 6.6764 7.2910 7.2910 7.5784 7.5784 9.5705 9.5705 10.8130 10.8130 10.9167 10.9167 11.6756 11.6756 k = 0.3617 0.2088-0.0000 ( 3580 PWs) bands (ev): -41.3915 -41.3915 -20.3511 -20.3511 -19.8563 -19.8563 -19.8302 -19.8302 -4.1904 -4.1904 -3.8821 -3.8821 3.4986 3.4986 4.0163 4.0163 4.2472 4.2472 4.6629 4.6629 4.8709 4.8709 4.9961 4.9961 5.2550 5.2550 5.8184 5.8184 6.6572 6.6572 7.2808 7.2808 7.5143 7.5143 9.5595 9.5595 10.8296 10.8296 10.9442 10.9442 11.6733 11.6733 k = 0.3723 0.2150-0.0000 ( 3580 PWs) bands (ev): -41.3914 -41.3914 -20.3517 -20.3517 -19.8572 -19.8572 -19.8304 -19.8304 -4.1629 -4.1629 -3.8800 -3.8800 3.4356 3.4356 4.0265 4.0265 4.2429 4.2429 4.7012 4.7012 4.8560 4.8560 5.0007 5.0007 5.2658 5.2658 5.8108 5.8108 6.6385 6.6385 7.2705 7.2705 7.4511 7.4511 9.5495 9.5495 10.8456 10.8456 10.9705 10.9705 11.6677 11.6677 k = 0.3830 0.2211-0.0000 ( 3580 PWs) bands (ev): -41.3913 -41.3913 -20.3522 -20.3522 -19.8581 -19.8581 -19.8306 -19.8306 -4.1365 -4.1365 -3.8784 -3.8784 3.3760 3.3760 4.0354 4.0354 4.2388 4.2388 4.7311 4.7311 4.8400 4.8400 5.0173 5.0173 5.2778 5.2778 5.8041 5.8041 6.6203 6.6203 7.2586 7.2586 7.3903 7.3903 9.5403 9.5403 10.8610 10.8610 10.9952 10.9952 11.6599 11.6599 k = 0.3936 0.2273-0.0000 ( 3580 PWs) bands (ev): -41.3912 -41.3912 -20.3527 -20.3527 -19.8589 -19.8589 -19.8308 -19.8308 -4.1114 -4.1114 -3.8772 -3.8772 3.3203 3.3203 4.0431 4.0431 4.2350 4.2350 4.7493 4.7493 4.8260 4.8260 5.0454 5.0454 5.2905 5.2905 5.7980 5.7980 6.6028 6.6028 7.2417 7.2417 7.3362 7.3362 9.5321 9.5321 10.8755 10.8755 11.0179 11.0179 11.6510 11.6510 k = 0.4043 0.2334-0.0000 ( 3580 PWs) bands (ev): -41.3911 -41.3911 -20.3532 -20.3532 -19.8596 -19.8596 -19.8309 -19.8309 -4.0877 -4.0877 -3.8766 -3.8766 3.2688 3.2688 4.0499 4.0499 4.2315 4.2315 4.7541 4.7541 4.8175 4.8175 5.0825 5.0825 5.3039 5.3039 5.7923 5.7923 6.5863 6.5863 7.2119 7.2119 7.2972 7.2972 9.5246 9.5246 10.8892 10.8892 11.0382 11.0382 11.6422 11.6422 k = 0.4149 0.2395-0.0000 ( 3574 PWs) bands (ev): -41.3910 -41.3910 -20.3536 -20.3536 -19.8603 -19.8603 -19.8310 -19.8310 -4.0655 -4.0655 -3.8765 -3.8765 3.2220 3.2220 4.0558 4.0558 4.2283 4.2283 4.7475 4.7475 4.8152 4.8152 5.1249 5.1249 5.3182 5.3182 5.7868 5.7868 6.5709 6.5709 7.1670 7.1670 7.2763 7.2763 9.5180 9.5180 10.9018 10.9018 11.0557 11.0557 11.6345 11.6345 k = 0.4255 0.2457-0.0000 ( 3578 PWs) bands (ev): -41.3909 -41.3909 -20.3540 -20.3540 -19.8609 -19.8609 -19.8310 -19.8310 -4.0450 -4.0450 -3.8769 -3.8769 3.1800 3.1800 4.0609 4.0609 4.2254 4.2254 4.7354 4.7354 4.8155 4.8155 5.1686 5.1686 5.3335 5.3335 5.7812 5.7812 6.5568 6.5568 7.1161 7.1161 7.2651 7.2651 9.5120 9.5120 10.9133 10.9133 11.0702 11.0702 11.6286 11.6286 k = 0.4362 0.2518-0.0000 ( 3572 PWs) bands (ev): -41.3908 -41.3908 -20.3543 -20.3543 -19.8615 -19.8615 -19.8311 -19.8311 -4.0263 -4.0263 -3.8779 -3.8779 3.1432 3.1432 4.0653 4.0653 4.2230 4.2230 4.7222 4.7222 4.8163 4.8163 5.2099 5.2099 5.3508 5.3508 5.7755 5.7755 6.5443 6.5443 7.0659 7.0659 7.2580 7.2580 9.5069 9.5069 10.9236 10.9236 11.0817 11.0817 11.6249 11.6249 k = 0.4468 0.2580-0.0000 ( 3576 PWs) bands (ev): -41.3908 -41.3908 -20.3546 -20.3546 -19.8619 -19.8619 -19.8312 -19.8312 -4.0095 -4.0095 -3.8795 -3.8795 3.1117 3.1117 4.0690 4.0690 4.2208 4.2208 4.7097 4.7097 4.8167 4.8167 5.2451 5.2451 5.3711 5.3711 5.7694 5.7694 6.5335 6.5335 7.0194 7.0194 7.2529 7.2529 9.5025 9.5025 10.9325 10.9325 11.0903 11.0903 11.6234 11.6234 k = 0.4574 0.2641-0.0000 ( 3578 PWs) bands (ev): -41.3907 -41.3907 -20.3548 -20.3548 -19.8623 -19.8623 -19.8312 -19.8312 -3.9949 -3.9949 -3.8815 -3.8815 3.0856 3.0856 4.0720 4.0720 4.2191 4.2191 4.6989 4.6989 4.8169 4.8169 5.2721 5.2721 5.3944 5.3944 5.7631 5.7631 6.5245 6.5245 6.9785 6.9785 7.2491 7.2491 9.4988 9.4988 10.9399 10.9399 11.0963 11.0963 11.6236 11.6236 k = 0.4681 0.2702-0.0000 ( 3578 PWs) bands (ev): -41.3907 -41.3907 -20.3550 -20.3550 -19.8626 -19.8626 -19.8313 -19.8313 -3.9828 -3.9828 -3.8837 -3.8837 3.0652 3.0652 4.0744 4.0744 4.2178 4.2178 4.6902 4.6902 4.8169 4.8169 5.2906 5.2906 5.4187 5.4187 5.7568 5.7568 6.5174 6.5174 6.9448 6.9448 7.2464 7.2464 9.4960 9.4960 10.9458 10.9458 11.1003 11.1003 11.6249 11.6249 k = 0.4787 0.2764-0.0000 ( 3582 PWs) bands (ev): -41.3907 -41.3907 -20.3551 -20.3551 -19.8629 -19.8629 -19.8313 -19.8313 -3.9736 -3.9736 -3.8858 -3.8858 3.0506 3.0506 4.0761 4.0761 4.2168 4.2168 4.6837 4.6837 4.8167 4.8167 5.3022 5.3022 5.4400 5.4400 5.7512 5.7512 6.5124 6.5124 6.9196 6.9196 7.2445 7.2445 9.4939 9.4939 10.9501 10.9501 11.1027 11.1027 11.6266 11.6266 k = 0.4894 0.2825-0.0000 ( 3578 PWs) bands (ev): -41.3907 -41.3907 -20.3552 -20.3552 -19.8630 -19.8630 -19.8313 -19.8313 -3.9677 -3.9677 -3.8874 -3.8874 3.0417 3.0417 4.0772 4.0772 4.2163 4.2163 4.6798 4.6798 4.8167 4.8167 5.3087 5.3087 5.4546 5.4546 5.7473 5.7473 6.5094 6.5094 6.9039 6.9039 7.2434 7.2434 9.4927 9.4927 10.9527 10.9527 11.1040 11.1040 11.6280 11.6280 k = 0.5000 0.2887-0.0000 ( 3582 PWs) bands (ev): -41.3907 -41.3907 -20.3552 -20.3552 -19.8630 -19.8630 -19.8313 -19.8313 -3.9657 -3.9657 -3.8880 -3.8880 3.0388 3.0388 4.0775 4.0775 4.2161 4.2161 4.6785 4.6785 4.8166 4.8166 5.3106 5.3106 5.4598 5.4598 5.7458 5.7458 6.5084 6.5084 6.8986 6.8986 7.2430 7.2430 9.4923 9.4923 10.9535 10.9535 11.1043 11.1043 11.6285 11.6285 k = 0.5000 0.2887-0.0000 ( 3582 PWs) bands (ev): -41.3907 -41.3907 -20.3552 -20.3552 -19.8630 -19.8630 -19.8313 -19.8313 -3.9657 -3.9657 -3.8880 -3.8880 3.0388 3.0388 4.0775 4.0775 4.2161 4.2161 4.6785 4.6785 4.8166 4.8166 5.3106 5.3106 5.4598 5.4598 5.7458 5.7458 6.5084 6.5084 6.8986 6.8986 7.2430 7.2430 9.4923 9.4923 10.9535 10.9535 11.1043 11.1043 11.6285 11.6285 k = 0.4940 0.2990-0.0000 ( 3590 PWs) bands (ev): -41.3907 -41.3907 -20.3552 -20.3552 -19.8630 -19.8630 -19.8314 -19.8314 -3.9654 -3.9654 -3.8879 -3.8879 3.0397 3.0397 4.0778 4.0778 4.2138 4.2138 4.6804 4.6804 4.8168 4.8168 5.3049 5.3049 5.4653 5.4653 5.7456 5.7456 6.5048 6.5048 6.8991 6.8991 7.2413 7.2413 9.4963 9.4963 10.9526 10.9526 11.1035 11.1035 11.6286 11.6286 k = 0.4881 0.3093-0.0000 ( 3582 PWs) bands (ev): -41.3907 -41.3907 -20.3552 -20.3552 -19.8630 -19.8630 -19.8314 -19.8314 -3.9644 -3.9644 -3.8876 -3.8876 3.0425 3.0425 4.0788 4.0788 4.2072 4.2072 4.6852 4.6852 4.8181 4.8181 5.2899 5.2899 5.4799 5.4799 5.7453 5.7453 6.4944 6.4944 6.9005 6.9005 7.2362 7.2362 9.5082 9.5082 10.9499 10.9499 11.1008 11.1008 11.6289 11.6289 k = 0.4821 0.3196-0.0000 ( 3582 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8629 -19.8629 -19.8316 -19.8316 -3.9627 -3.9627 -3.8872 -3.8872 3.0471 3.0471 4.0802 4.0802 4.1972 4.1972 4.6913 4.6913 4.8212 4.8212 5.2693 5.2693 5.4996 5.4996 5.7446 5.7446 6.4777 6.4777 6.9026 6.9026 7.2277 7.2277 9.5275 9.5275 10.9455 10.9455 11.0964 11.0964 11.6293 11.6293 k = 0.4762 0.3299-0.0000 ( 3586 PWs) bands (ev): -41.3906 -41.3906 -20.3553 -20.3553 -19.8628 -19.8628 -19.8319 -19.8319 -3.9605 -3.9605 -3.8866 -3.8866 3.0535 3.0535 4.0814 4.0814 4.1851 4.1851 4.6959 4.6959 4.8280 4.8280 5.2459 5.2459 5.5216 5.5216 5.7440 5.7440 6.4555 6.4555 6.9053 6.9053 7.2160 7.2160 9.5538 9.5538 10.9396 10.9396 11.0902 11.0902 11.6299 11.6299 k = 0.4702 0.3402-0.0000 ( 3586 PWs) bands (ev): -41.3906 -41.3906 -20.3553 -20.3553 -19.8626 -19.8626 -19.8322 -19.8322 -3.9576 -3.9576 -3.8859 -3.8859 3.0617 3.0617 4.0816 4.0816 4.1727 4.1727 4.6964 4.6964 4.8401 4.8401 5.2214 5.2214 5.5441 5.5441 5.7435 5.7435 6.4288 6.4288 6.9084 6.9084 7.2010 7.2010 9.5861 9.5861 10.9323 10.9323 11.0824 11.0824 11.6307 11.6307 k = 0.4643 0.3505-0.0000 ( 3584 PWs) bands (ev): -41.3906 -41.3906 -20.3554 -20.3554 -19.8625 -19.8625 -19.8326 -19.8326 -3.9541 -3.9541 -3.8850 -3.8850 3.0717 3.0717 4.0789 4.0789 4.1624 4.1624 4.6912 4.6912 4.8576 4.8576 5.1970 5.1970 5.5657 5.5657 5.7437 5.7437 6.3987 6.3987 6.9117 6.9117 7.1830 7.1830 9.6236 9.6236 10.9240 10.9240 11.0729 11.0729 11.6317 11.6317 k = 0.4583 0.3608-0.0000 ( 3584 PWs) bands (ev): -41.3906 -41.3906 -20.3554 -20.3554 -19.8623 -19.8623 -19.8330 -19.8330 -3.9500 -3.9500 -3.8839 -3.8839 3.0834 3.0834 4.0716 4.0716 4.1567 4.1567 4.6802 4.6802 4.8792 4.8792 5.1739 5.1739 5.5854 5.5854 5.7453 5.7453 6.3665 6.3665 6.9149 6.9149 7.1620 7.1620 9.6653 9.6653 10.9150 10.9150 11.0620 11.0620 11.6328 11.6328 k = 0.4524 0.3712-0.0000 ( 3592 PWs) bands (ev): -41.3906 -41.3906 -20.3555 -20.3555 -19.8621 -19.8621 -19.8335 -19.8335 -3.9455 -3.9455 -3.8828 -3.8828 3.0968 3.0968 4.0592 4.0592 4.1563 4.1563 4.6640 4.6640 4.9026 4.9026 5.1534 5.1534 5.6017 5.6017 5.7491 5.7491 6.3333 6.3333 6.9180 6.9180 7.1383 7.1383 9.7100 9.7100 10.9057 10.9057 11.0496 11.0496 11.6339 11.6339 k = 0.4464 0.3815-0.0000 ( 3594 PWs) bands (ev): -41.3905 -41.3905 -20.3556 -20.3556 -19.8618 -19.8618 -19.8341 -19.8341 -3.9405 -3.9405 -3.8814 -3.8814 3.1119 3.1119 4.0431 4.0431 4.1605 4.1605 4.6434 4.6434 4.9245 4.9245 5.1377 5.1377 5.6134 5.6134 5.7563 5.7563 6.3000 6.3000 6.9207 6.9207 7.1121 7.1121 9.7569 9.7569 10.8964 10.8964 11.0360 11.0360 11.6350 11.6350 k = 0.4405 0.3918-0.0000 ( 3602 PWs) bands (ev): -41.3905 -41.3905 -20.3557 -20.3557 -19.8615 -19.8615 -19.8347 -19.8347 -3.9350 -3.9350 -3.8800 -3.8800 3.1286 3.1286 4.0248 4.0248 4.1674 4.1674 4.6188 4.6188 4.9409 4.9409 5.1303 5.1303 5.6197 5.6197 5.7673 5.7673 6.2678 6.2678 6.9228 6.9228 7.0839 7.0839 9.8047 9.8047 10.8876 10.8876 11.0215 11.0215 11.6359 11.6359 k = 0.4345 0.4021-0.0000 ( 3590 PWs) bands (ev): -41.3905 -41.3905 -20.3558 -20.3558 -19.8612 -19.8612 -19.8353 -19.8353 -3.9292 -3.9292 -3.8785 -3.8785 3.1468 3.1468 4.0058 4.0058 4.1763 4.1763 4.5910 4.5910 4.9476 4.9476 5.1347 5.1347 5.6209 5.6209 5.7820 5.7820 6.2373 6.2373 6.9241 6.9241 7.0541 7.0541 9.8527 9.8527 10.8797 10.8797 11.0063 11.0063 11.6359 11.6359 k = 0.4286 0.4124-0.0000 ( 3590 PWs) bands (ev): -41.3905 -41.3905 -20.3559 -20.3559 -19.8609 -19.8609 -19.8359 -19.8359 -3.9231 -3.9231 -3.8768 -3.8768 3.1665 3.1665 3.9867 3.9867 4.1857 4.1857 4.5603 4.5603 4.9435 4.9435 5.1515 5.1515 5.6179 5.6179 5.7994 5.7994 6.2092 6.2092 6.9239 6.9239 7.0236 7.0236 9.8996 9.8996 10.8729 10.8729 10.9907 10.9907 11.6313 11.6313 k = 0.4226 0.4227-0.0000 ( 3592 PWs) bands (ev): -41.3904 -41.3904 -20.3559 -20.3559 -19.8606 -19.8606 -19.8366 -19.8366 -3.9167 -3.9167 -3.8751 -3.8751 3.1876 3.1876 3.9679 3.9679 4.1949 4.1949 4.5276 4.5276 4.9313 4.9313 5.1779 5.1779 5.6119 5.6119 5.8183 5.8183 6.1840 6.1840 6.9208 6.9208 6.9939 6.9939 9.9446 9.9446 10.8677 10.8677 10.9753 10.9753 11.6074 11.6074 k = 0.4167 0.4330-0.0000 ( 3596 PWs) bands (ev): -41.3904 -41.3904 -20.3561 -20.3561 -19.8602 -19.8602 -19.8374 -19.8374 -3.9102 -3.9102 -3.8733 -3.8733 3.2100 3.2100 3.9498 3.9498 4.2028 4.2028 4.4942 4.4942 4.9144 4.9144 5.2100 5.2100 5.6039 5.6039 5.8378 5.8378 6.1617 6.1617 6.9113 6.9113 6.9687 6.9687 9.9868 9.9868 10.8642 10.8642 10.9606 10.9606 11.5734 11.5734 k = 0.4107 0.4433-0.0000 ( 3592 PWs) bands (ev): -41.3904 -41.3904 -20.3561 -20.3561 -19.8598 -19.8598 -19.8381 -19.8381 -3.9036 -3.9036 -3.8714 -3.8714 3.2336 3.2336 3.9328 3.9328 4.2076 4.2076 4.4619 4.4619 4.8952 4.8952 5.2453 5.2453 5.5948 5.5948 5.8571 5.8571 6.1427 6.1427 6.8915 6.8915 6.9526 6.9526 10.0255 10.0255 10.8626 10.8626 10.9471 10.9471 11.5406 11.5406 k = 0.4048 0.4536-0.0000 ( 3590 PWs) bands (ev): -41.3903 -41.3903 -20.3562 -20.3562 -19.8595 -19.8595 -19.8388 -19.8388 -3.8970 -3.8970 -3.8695 -3.8695 3.2582 3.2582 3.9169 3.9169 4.2067 4.2067 4.4335 4.4335 4.8750 4.8750 5.2820 5.2820 5.5853 5.5853 5.8756 5.8756 6.1269 6.1269 6.8634 6.8634 6.9438 6.9438 10.0599 10.0599 10.8629 10.8629 10.9355 10.9355 11.5105 11.5105 k = 0.3988 0.4639-0.0000 ( 3594 PWs) bands (ev): -41.3903 -41.3903 -20.3564 -20.3564 -19.8591 -19.8591 -19.8396 -19.8396 -3.8905 -3.8905 -3.8675 -3.8675 3.2837 3.2837 3.9022 3.9022 4.1972 4.1972 4.4123 4.4123 4.8547 4.8547 5.3189 5.3189 5.5760 5.5760 5.8929 5.8929 6.1140 6.1140 6.8324 6.8324 6.9374 6.9374 10.0893 10.0893 10.8650 10.8650 10.9265 10.9265 11.4833 11.4833 k = 0.3929 0.4743-0.0000 ( 3598 PWs) bands (ev): -41.3903 -41.3903 -20.3565 -20.3565 -19.8587 -19.8587 -19.8403 -19.8403 -3.8841 -3.8841 -3.8655 -3.8655 3.3099 3.3099 3.8888 3.8888 4.1770 4.1770 4.4007 4.4007 4.8348 4.8348 5.3550 5.3550 5.5676 5.5676 5.9083 5.9083 6.1040 6.1040 6.8017 6.8017 6.9310 6.9310 10.1134 10.1134 10.8686 10.8686 10.9207 10.9207 11.4592 11.4592 k = 0.3869 0.4846-0.0000 ( 3606 PWs) bands (ev): -41.3902 -41.3902 -20.3566 -20.3566 -19.8584 -19.8584 -19.8411 -19.8411 -3.8781 -3.8781 -3.8635 -3.8635 3.3367 3.3367 3.8769 3.8769 4.1470 4.1470 4.3982 4.3982 4.8157 4.8157 5.3893 5.3893 5.5610 5.5610 5.9214 5.9214 6.0964 6.0964 6.7728 6.7728 6.9235 6.9235 10.1321 10.1321 10.8736 10.8736 10.9186 10.9186 11.4382 11.4382 k = 0.3810 0.4949-0.0000 ( 3598 PWs) bands (ev): -41.3902 -41.3902 -20.3567 -20.3567 -19.8580 -19.8580 -19.8417 -19.8417 -3.8725 -3.8725 -3.8614 -3.8614 3.3636 3.3636 3.8667 3.8667 4.1103 4.1103 4.4022 4.4022 4.7978 4.7978 5.4201 5.4201 5.5575 5.5575 5.9319 5.9319 6.0910 6.0910 6.7473 6.7473 6.9144 6.9144 10.1455 10.1455 10.8795 10.8795 10.9202 10.9202 11.4206 11.4206 k = 0.3750 0.5052-0.0000 ( 3594 PWs) bands (ev): -41.3902 -41.3902 -20.3567 -20.3567 -19.8576 -19.8576 -19.8423 -19.8423 -3.8674 -3.8674 -3.8592 -3.8592 3.3905 3.3905 3.8581 3.8581 4.0700 4.0700 4.4100 4.4100 4.7813 4.7813 5.4452 5.4452 5.5588 5.5588 5.9396 5.9396 6.0871 6.0871 6.7261 6.7261 6.9034 6.9034 10.1540 10.1540 10.8861 10.8861 10.9251 10.9251 11.4065 11.4065 k = 0.3690 0.5155-0.0000 ( 3588 PWs) bands (ev): -41.3902 -41.3902 -20.3568 -20.3568 -19.8573 -19.8573 -19.8429 -19.8429 -3.8631 -3.8631 -3.8568 -3.8568 3.4167 3.4167 3.8512 3.8512 4.0286 4.0286 4.4195 4.4195 4.7666 4.7666 5.4624 5.4624 5.5669 5.5669 5.9446 5.9446 6.0842 6.0842 6.7104 6.7104 6.8901 6.8901 10.1584 10.1584 10.8933 10.8933 10.9323 10.9323 11.3964 11.3964 k = 0.3631 0.5258-0.0000 ( 3580 PWs) bands (ev): -41.3901 -41.3901 -20.3569 -20.3569 -19.8570 -19.8570 -19.8434 -19.8434 -3.8598 -3.8598 -3.8542 -3.8542 3.4418 3.4418 3.8461 3.8461 3.9881 3.9881 4.4294 4.4294 4.7538 4.7538 5.4715 5.4715 5.5814 5.5814 5.9471 5.9471 6.0815 6.0815 6.7012 6.7012 6.8745 6.8745 10.1596 10.1596 10.9010 10.9010 10.9408 10.9408 11.3908 11.3908 k = 0.3571 0.5361-0.0000 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3570 -20.3570 -19.8568 -19.8568 -19.8439 -19.8439 -3.8573 -3.8573 -3.8516 -3.8516 3.4648 3.4648 3.8429 3.8429 3.9502 3.9502 4.4385 4.4385 4.7433 4.7433 5.4749 5.4749 5.5991 5.5991 5.9476 5.9476 6.0787 6.0787 6.6989 6.6989 6.8564 6.8564 10.1586 10.1586 10.9086 10.9086 10.9493 10.9493 11.3901 11.3901 k = 0.3512 0.5464-0.0000 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3570 -20.3570 -19.8566 -19.8566 -19.8442 -19.8442 -3.8554 -3.8554 -3.8494 -3.8494 3.4847 3.4847 3.8416 3.8416 3.9166 3.9166 4.4462 4.4462 4.7351 4.7351 5.4756 5.4756 5.6163 5.6163 5.9467 5.9467 6.0759 6.0759 6.7039 6.7039 6.8358 6.8358 10.1564 10.1564 10.9157 10.9157 10.9570 10.9570 11.3947 11.3947 k = 0.3452 0.5567-0.0000 ( 3586 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8564 -19.8564 -19.8445 -19.8445 -3.8539 -3.8539 -3.8478 -3.8478 3.5003 3.5003 3.8424 3.8424 3.8892 3.8892 4.4519 4.4519 4.7296 4.7296 5.4752 5.4752 5.6304 5.6304 5.9452 5.9452 6.0732 6.0732 6.7161 6.7161 6.8129 6.8129 10.1540 10.1540 10.9215 10.9215 10.9630 10.9630 11.4048 11.4048 k = 0.3393 0.5670-0.0000 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8564 -19.8564 -19.8447 -19.8447 -3.8528 -3.8528 -3.8469 -3.8469 3.5102 3.5102 3.8449 3.8449 3.8699 3.8699 4.4554 4.4554 4.7264 4.7264 5.4747 5.4747 5.6395 5.6395 5.9439 5.9439 6.0711 6.0711 6.7349 6.7349 6.7878 6.7878 10.1521 10.1521 10.9253 10.9253 10.9668 10.9668 11.4197 11.4197 k = 0.3333 0.5774-0.0000 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8447 -19.8447 -3.8524 -3.8524 -3.8467 -3.8467 3.5136 3.5136 3.8467 3.8467 3.8624 3.8624 4.4565 4.4565 4.7255 4.7255 5.4745 5.4745 5.6427 5.6427 5.9434 5.9434 6.0703 6.0703 6.7565 6.7565 6.7642 6.7642 10.1513 10.1513 10.9267 10.9267 10.9681 10.9681 11.4315 11.4315 k = 0.3333 0.5774-0.0000 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8447 -19.8447 -3.8524 -3.8524 -3.8467 -3.8467 3.5136 3.5136 3.8467 3.8467 3.8624 3.8624 4.4565 4.4565 4.7255 4.7255 5.4745 5.4745 5.6427 5.6427 5.9434 5.9434 6.0703 6.0703 6.7565 6.7565 6.7642 6.7642 10.1513 10.1513 10.9267 10.9267 10.9681 10.9681 11.4315 11.4315 k = 0.3273 0.5669-0.0000 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8564 -19.8564 -19.8447 -19.8447 -3.8531 -3.8531 -3.8467 -3.8467 3.5104 3.5104 3.8464 3.8464 3.8685 3.8685 4.4554 4.4554 4.7263 4.7263 5.4747 5.4747 5.6395 5.6395 5.9438 5.9438 6.0714 6.0714 6.7308 6.7308 6.7919 6.7919 10.1522 10.1522 10.9252 10.9252 10.9668 10.9668 11.4178 11.4178 k = 0.3212 0.5564-0.0000 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8564 -19.8564 -19.8445 -19.8445 -3.8554 -3.8554 -3.8467 -3.8467 3.5018 3.5018 3.8493 3.8493 3.8819 3.8819 4.4524 4.4524 4.7282 4.7282 5.4752 5.4752 5.6306 5.6306 5.9442 5.9442 6.0752 6.0752 6.7007 6.7007 6.8280 6.8280 10.1551 10.1551 10.9209 10.9209 10.9626 10.9626 11.3975 11.3975 k = 0.3152 0.5459-0.0000 ( 3584 PWs) bands (ev): -41.3901 -41.3901 -20.3570 -20.3570 -19.8565 -19.8565 -19.8443 -19.8443 -3.8594 -3.8594 -3.8464 -3.8464 3.4899 3.4899 3.8561 3.8561 3.8999 3.8999 4.4478 4.4478 4.7306 4.7306 5.4754 5.4754 5.6177 5.6177 5.9433 5.9433 6.0824 6.0824 6.6701 6.6701 6.8685 6.8685 10.1599 10.1599 10.9139 10.9139 10.9559 10.9559 11.3789 11.3789 k = 0.3091 0.5354-0.0000 ( 3586 PWs) bands (ev): -41.3901 -41.3901 -20.3569 -20.3569 -19.8566 -19.8566 -19.8440 -19.8440 -3.8651 -3.8651 -3.8463 -3.8463 3.4768 3.4768 3.8661 3.8661 3.9216 3.9216 4.4421 4.4421 4.7327 4.7327 5.4745 5.4745 5.6030 5.6030 5.9396 5.9396 6.0932 6.0932 6.6400 6.6400 6.9126 6.9126 10.1666 10.1666 10.9046 10.9046 10.9470 10.9470 11.3627 11.3627 k = 0.3030 0.5249-0.0000 ( 3592 PWs) bands (ev): -41.3902 -41.3902 -20.3568 -20.3568 -19.8567 -19.8567 -19.8436 -19.8436 -3.8724 -3.8724 -3.8462 -3.8462 3.4640 3.4640 3.8784 3.8784 3.9459 3.9459 4.4354 4.4354 4.7340 4.7340 5.4709 5.4709 5.5894 5.5894 5.9319 5.9319 6.1078 6.1078 6.6114 6.6114 6.9599 6.9599 10.1748 10.1748 10.8935 10.8935 10.9365 10.9365 11.3488 11.3488 k = 0.2970 0.5144-0.0000 ( 3588 PWs) bands (ev): -41.3902 -41.3902 -20.3567 -20.3567 -19.8568 -19.8568 -19.8432 -19.8432 -3.8813 -3.8813 -3.8463 -3.8463 3.4529 3.4529 3.8927 3.8927 3.9722 3.9722 4.4283 4.4283 4.7339 4.7339 5.4626 5.4626 5.5796 5.5796 5.9198 5.9198 6.1255 6.1255 6.5854 6.5854 7.0099 7.0099 10.1841 10.1841 10.8810 10.8810 10.9251 10.9251 11.3366 11.3366 k = 0.2909 0.5039-0.0000 ( 3596 PWs) bands (ev): -41.3902 -41.3902 -20.3565 -20.3565 -19.8569 -19.8569 -19.8428 -19.8428 -3.8918 -3.8918 -3.8467 -3.8467 3.4443 3.4443 3.9089 3.9089 3.9996 3.9996 4.4208 4.4208 4.7321 4.7321 5.4489 5.4489 5.5754 5.5754 5.9030 5.9030 6.1457 6.1457 6.5628 6.5628 7.0620 7.0620 10.1939 10.1939 10.8674 10.8674 10.9139 10.9139 11.3256 11.3256 k = 0.2848 0.4934-0.0000 ( 3592 PWs) bands (ev): -41.3903 -41.3903 -20.3563 -20.3563 -19.8569 -19.8569 -19.8423 -19.8423 -3.9039 -3.9039 -3.8472 -3.8472 3.4388 3.4388 3.9268 3.9268 4.0276 4.0276 4.4133 4.4133 4.7283 4.7283 5.4304 5.4304 5.5763 5.5763 5.8816 5.8816 6.1682 6.1682 6.5447 6.5447 7.1160 7.1160 10.2034 10.2034 10.8528 10.8528 10.9041 10.9041 11.3149 11.3149 k = 0.2788 0.4829-0.0000 ( 3596 PWs) bands (ev): -41.3903 -41.3903 -20.3561 -20.3561 -19.8568 -19.8568 -19.8418 -19.8418 -3.9177 -3.9177 -3.8480 -3.8480 3.4368 3.4368 3.9463 3.9463 4.0557 4.0557 4.4056 4.4056 4.7221 4.7221 5.4090 5.4090 5.5806 5.5806 5.8562 5.8562 6.1923 6.1923 6.5314 6.5314 7.1716 7.1716 10.2119 10.2119 10.8369 10.8369 10.8970 10.8970 11.3040 11.3040 k = 0.2727 0.4724-0.0000 ( 3594 PWs) bands (ev): -41.3904 -41.3904 -20.3559 -20.3559 -19.8568 -19.8568 -19.8412 -19.8412 -3.9330 -3.9330 -3.8490 -3.8490 3.4386 3.4386 3.9673 3.9673 4.0837 4.0837 4.3981 4.3981 4.7136 4.7136 5.3864 5.3864 5.5863 5.5863 5.8277 5.8277 6.2179 6.2179 6.5233 6.5233 7.2285 7.2285 10.2187 10.2187 10.8196 10.8196 10.8938 10.8938 11.2924 11.2924 k = 0.2667 0.4619-0.0000 ( 3590 PWs) bands (ev): -41.3905 -41.3905 -20.3556 -20.3556 -19.8566 -19.8566 -19.8407 -19.8407 -3.9500 -3.9500 -3.8503 -3.8503 3.4445 3.4445 3.9897 3.9897 4.1113 4.1113 4.3908 4.3908 4.7025 4.7025 5.3637 5.3637 5.5914 5.5914 5.7979 5.7979 6.2448 6.2448 6.5205 6.5205 7.2863 7.2863 10.2232 10.2232 10.8006 10.8006 10.8951 10.8951 11.2795 11.2795 k = 0.2606 0.4514-0.0000 ( 3594 PWs) bands (ev): -41.3905 -41.3905 -20.3552 -20.3552 -19.8565 -19.8565 -19.8401 -19.8401 -3.9685 -3.9685 -3.8518 -3.8518 3.4543 3.4543 4.0132 4.0132 4.1381 4.1381 4.3837 4.3837 4.6889 4.6889 5.3416 5.3416 5.5931 5.5931 5.7696 5.7696 6.2729 6.2729 6.5226 6.5226 7.3449 7.3449 10.2252 10.2252 10.7802 10.7802 10.9014 10.9014 11.2651 11.2651 k = 0.2545 0.4409-0.0000 ( 3584 PWs) bands (ev): -41.3906 -41.3906 -20.3549 -20.3549 -19.8562 -19.8562 -19.8396 -19.8396 -3.9885 -3.9885 -3.8536 -3.8536 3.4683 3.4683 4.0376 4.0376 4.1642 4.1642 4.3769 4.3769 4.6728 4.6728 5.3206 5.3206 5.5880 5.5880 5.7470 5.7470 6.3022 6.3022 6.5294 6.5294 7.4041 7.4041 10.2246 10.2246 10.7583 10.7583 10.9125 10.9125 11.2489 11.2489 k = 0.2485 0.4304-0.0000 ( 3588 PWs) bands (ev): -41.3907 -41.3907 -20.3545 -20.3545 -19.8559 -19.8559 -19.8390 -19.8390 -4.0100 -4.0100 -3.8556 -3.8556 3.4862 3.4862 4.0627 4.0627 4.1893 4.1893 4.3705 4.3705 4.6546 4.6546 5.3011 5.3011 5.5727 5.5727 5.7339 5.7339 6.3326 6.3326 6.5403 6.5403 7.4635 7.4635 10.2215 10.2215 10.7350 10.7350 10.9279 10.9279 11.2308 11.2308 k = 0.2424 0.4199-0.0000 ( 3590 PWs) bands (ev): -41.3908 -41.3908 -20.3541 -20.3541 -19.8556 -19.8556 -19.8384 -19.8384 -4.0329 -4.0329 -3.8579 -3.8579 3.5080 3.5080 4.0880 4.0880 4.2130 4.2130 4.3646 4.3646 4.6346 4.6346 5.2833 5.2833 5.5474 5.5474 5.7307 5.7307 6.3641 6.3641 6.5548 6.5548 7.5230 7.5230 10.2164 10.2164 10.7106 10.7106 10.9472 10.9472 11.2108 11.2108 k = 0.2364 0.4094-0.0000 ( 3598 PWs) bands (ev): -41.3909 -41.3909 -20.3536 -20.3536 -19.8552 -19.8552 -19.8378 -19.8378 -4.0570 -4.0570 -3.8605 -3.8605 3.5335 3.5335 4.1131 4.1131 4.2352 4.2352 4.3592 4.3592 4.6133 4.6133 5.2673 5.2673 5.5157 5.5157 5.7347 5.7347 6.3967 6.3967 6.5723 6.5723 7.5823 7.5823 10.2097 10.2097 10.6850 10.6850 10.9695 10.9695 11.1888 11.1888 k = 0.2303 0.3989-0.0000 ( 3592 PWs) bands (ev): -41.3910 -41.3910 -20.3531 -20.3531 -19.8547 -19.8547 -19.8372 -19.8372 -4.0824 -4.0824 -3.8632 -3.8632 3.5625 3.5625 4.1370 4.1370 4.2552 4.2552 4.3548 4.3548 4.5921 4.5921 5.2530 5.2530 5.4813 5.4813 5.7430 5.7430 6.4306 6.4306 6.5925 6.5925 7.6414 7.6414 10.2019 10.2019 10.6585 10.6585 10.9941 10.9941 11.1650 11.1650 k = 0.2242 0.3884-0.0000 ( 3596 PWs) bands (ev): -41.3911 -41.3911 -20.3526 -20.3526 -19.8543 -19.8543 -19.8366 -19.8366 -4.1089 -4.1089 -3.8662 -3.8662 3.5945 3.5945 4.1588 4.1588 4.2723 4.2723 4.3515 4.3515 4.5724 4.5724 5.2405 5.2405 5.4469 5.4469 5.7537 5.7537 6.4657 6.4657 6.6148 6.6148 7.6999 7.6999 10.1937 10.1937 10.6311 10.6311 11.0202 11.0202 11.1396 11.1396 k = 0.2182 0.3779-0.0000 ( 3590 PWs) bands (ev): -41.3912 -41.3912 -20.3521 -20.3521 -19.8537 -19.8537 -19.8360 -19.8360 -4.1365 -4.1365 -3.8694 -3.8694 3.6293 3.6293 4.1768 4.1768 4.2856 4.2856 4.3494 4.3494 4.5568 4.5568 5.2294 5.2294 5.4144 5.4144 5.7661 5.7661 6.5020 6.5020 6.6388 6.6388 7.7575 7.7575 10.1855 10.1855 10.6029 10.6029 11.0464 11.0464 11.1137 11.1137 k = 0.2121 0.3674-0.0000 ( 3588 PWs) bands (ev): -41.3913 -41.3913 -20.3515 -20.3515 -19.8531 -19.8531 -19.8353 -19.8353 -4.1649 -4.1649 -3.8728 -3.8728 3.6663 3.6663 4.1889 4.1889 4.2947 4.2947 4.3487 4.3487 4.5483 4.5483 5.2193 5.2193 5.3850 5.3850 5.7795 5.7795 6.5394 6.5394 6.6639 6.6639 7.8142 7.8142 10.1776 10.1776 10.5742 10.5742 11.0636 11.0636 11.0961 11.0961 k = 0.2061 0.3569-0.0000 ( 3592 PWs) bands (ev): -41.3915 -41.3915 -20.3509 -20.3509 -19.8525 -19.8525 -19.8347 -19.8347 -4.1942 -4.1942 -3.8764 -3.8764 3.7047 3.7047 4.1925 4.1925 4.2993 4.2993 4.3501 4.3501 4.5493 4.5493 5.2095 5.2095 5.3601 5.3601 5.7939 5.7939 6.5780 6.5780 6.6898 6.6898 7.8695 7.8695 10.1706 10.1706 10.5450 10.5450 11.0452 11.0452 11.1132 11.1132 k = 0.2000 0.3464-0.0000 ( 3596 PWs) bands (ev): -41.3916 -41.3916 -20.3503 -20.3503 -19.8518 -19.8518 -19.8340 -19.8340 -4.2241 -4.2241 -3.8802 -3.8802 3.7436 3.7436 4.1858 4.1858 4.2995 4.2995 4.3556 4.3556 4.5601 4.5601 5.1991 5.1991 5.3411 5.3411 5.8092 5.8092 6.6177 6.6177 6.7162 6.7162 7.9232 7.9232 10.1646 10.1646 10.5156 10.5156 11.0151 11.0151 11.1410 11.1410 k = 0.1939 0.3359-0.0000 ( 3594 PWs) bands (ev): -41.3917 -41.3917 -20.3497 -20.3497 -19.8511 -19.8511 -19.8333 -19.8333 -4.2546 -4.2546 -3.8842 -3.8842 3.7816 3.7816 4.1698 4.1698 4.2966 4.2966 4.3663 4.3663 4.5792 4.5792 5.1874 5.1874 5.3290 5.3290 5.8258 5.8258 6.6583 6.6583 6.7427 6.7427 7.9750 7.9750 10.1599 10.1599 10.4862 10.4862 10.9828 10.9828 11.1702 11.1702 k = 0.1879 0.3254-0.0000 ( 3598 PWs) bands (ev): -41.3919 -41.3919 -20.3490 -20.3490 -19.8504 -19.8504 -19.8326 -19.8326 -4.2856 -4.2856 -3.8883 -3.8883 3.8164 3.8164 4.1477 4.1477 4.2922 4.2922 4.3809 4.3809 4.6044 4.6044 5.1740 5.1740 5.3242 5.3242 5.8437 5.8437 6.6997 6.6997 6.7693 6.7693 8.0245 8.0245 10.1565 10.1565 10.4571 10.4571 10.9493 10.9493 11.1999 11.1999 k = 0.1818 0.3149-0.0000 ( 3606 PWs) bands (ev): -41.3920 -41.3920 -20.3484 -20.3484 -19.8497 -19.8497 -19.8319 -19.8319 -4.3169 -4.3169 -3.8925 -3.8925 3.8444 3.8444 4.1251 4.1251 4.2876 4.2876 4.3982 4.3982 4.6335 4.6335 5.1594 5.1594 5.3265 5.3265 5.8634 5.8634 6.7414 6.7414 6.7960 6.7960 8.0715 8.0715 10.1546 10.1546 10.4285 10.4285 10.9151 10.9151 11.2298 11.2298 k = 0.1758 0.3044-0.0000 ( 3610 PWs) bands (ev): -41.3922 -41.3922 -20.3477 -20.3477 -19.8491 -19.8491 -19.8311 -19.8311 -4.3484 -4.3484 -3.8969 -3.8969 3.8604 3.8604 4.1085 4.1085 4.2832 4.2832 4.4176 4.4176 4.6651 4.6651 5.1446 5.1446 5.3351 5.3351 5.8852 5.8852 6.7822 6.7822 6.8238 6.8238 8.1154 8.1154 10.1541 10.1541 10.4006 10.4006 10.8805 10.8805 11.2598 11.2598 k = 0.1697 0.2939-0.0000 ( 3604 PWs) bands (ev): -41.3923 -41.3923 -20.3470 -20.3470 -19.8483 -19.8483 -19.8303 -19.8303 -4.3800 -4.3800 -3.9013 -3.9013 3.8588 3.8588 4.1043 4.1043 4.2792 4.2792 4.4390 4.4390 4.6980 4.6980 5.1300 5.1300 5.3497 5.3497 5.9095 5.9095 6.8190 6.8190 6.8555 6.8555 8.1561 8.1561 10.1551 10.1551 10.3739 10.3739 10.8456 10.8456 11.2900 11.2900 k = 0.1636 0.2834-0.0000 ( 3601 PWs) bands (ev): -41.3925 -41.3925 -20.3463 -20.3463 -19.8476 -19.8476 -19.8295 -19.8295 -4.4116 -4.4116 -3.9059 -3.9059 3.8393 3.8393 4.1130 4.1130 4.2757 4.2757 4.4624 4.4624 4.7311 4.7311 5.1164 5.1164 5.3697 5.3697 5.9367 5.9367 6.8485 6.8485 6.8940 6.8940 8.1930 8.1930 10.1573 10.1573 10.3486 10.3486 10.8108 10.8108 11.3204 11.3204 k = 0.1576 0.2729-0.0000 ( 3593 PWs) bands (ev): -41.3926 -41.3926 -20.3456 -20.3456 -19.8469 -19.8469 -19.8286 -19.8286 -4.4431 -4.4431 -3.9105 -3.9105 3.8066 3.8066 4.1298 4.1298 4.2727 4.2727 4.4879 4.4879 4.7637 4.7637 5.1041 5.1041 5.3949 5.3949 5.9674 5.9674 6.8723 6.8723 6.9375 6.9375 8.2257 8.2257 10.1608 10.1608 10.3248 10.3248 10.7762 10.7762 11.3509 11.3509 k = 0.1515 0.2624-0.0000 ( 3595 PWs) bands (ev): -41.3928 -41.3928 -20.3449 -20.3449 -19.8463 -19.8463 -19.8277 -19.8277 -4.4743 -4.4743 -3.9151 -3.9151 3.7661 3.7661 4.1495 4.1495 4.2702 4.2702 4.5152 4.5152 4.7949 4.7949 5.0933 5.0933 5.4251 5.4251 6.0019 6.0019 6.8928 6.8928 6.9836 6.9836 8.2538 8.2538 10.1652 10.1652 10.3030 10.3030 10.7420 10.7420 11.3815 11.3815 k = 0.1455 0.2519-0.0000 ( 3591 PWs) bands (ev): -41.3929 -41.3929 -20.3442 -20.3442 -19.8456 -19.8456 -19.8268 -19.8268 -4.5052 -4.5052 -3.9198 -3.9198 3.7216 3.7216 4.1686 4.1686 4.2683 4.2683 4.5442 4.5442 4.8244 4.8244 5.0845 5.0845 5.4603 5.4603 6.0408 6.0408 6.9110 6.9110 7.0309 7.0309 8.2770 8.2770 10.1705 10.1705 10.2831 10.2831 10.7085 10.7085 11.4121 11.4121 k = 0.1394 0.2414-0.0000 ( 3601 PWs) bands (ev): -41.3931 -41.3931 -20.3435 -20.3435 -19.8451 -19.8451 -19.8259 -19.8259 -4.5356 -4.5356 -3.9245 -3.9245 3.6750 3.6750 4.1853 4.1853 4.2670 4.2670 4.5740 4.5740 4.8516 4.8516 5.0776 5.0776 5.5002 5.5002 6.0844 6.0844 6.9273 6.9273 7.0789 7.0789 8.2948 8.2948 10.1763 10.1763 10.2654 10.2654 10.6757 10.6757 11.4426 11.4426 k = 0.1333 0.2309-0.0000 ( 3601 PWs) bands (ev): -41.3932 -41.3932 -20.3428 -20.3428 -19.8445 -19.8445 -19.8249 -19.8249 -4.5654 -4.5654 -3.9291 -3.9291 3.6276 3.6276 4.1991 4.1991 4.2665 4.2665 4.6040 4.6040 4.8762 4.8762 5.0729 5.0729 5.5449 5.5449 6.1332 6.1332 6.9419 6.9419 7.1273 7.1273 8.3071 8.3071 10.1824 10.1824 10.2499 10.2499 10.6440 10.6440 11.4725 11.4725 k = 0.1273 0.2204-0.0000 ( 3605 PWs) bands (ev): -41.3934 -41.3934 -20.3421 -20.3421 -19.8440 -19.8440 -19.8238 -19.8238 -4.5946 -4.5946 -3.9337 -3.9337 3.5803 3.5803 4.2099 4.2099 4.2667 4.2667 4.6333 4.6333 4.8980 4.8980 5.0706 5.0706 5.5940 5.5940 6.1872 6.1872 6.9550 6.9550 7.1758 7.1758 8.3135 8.3135 10.1886 10.1886 10.2366 10.2366 10.6134 10.6134 11.5014 11.5014 k = 0.1212 0.2099-0.0000 ( 3605 PWs) bands (ev): -41.3935 -41.3935 -20.3415 -20.3415 -19.8435 -19.8435 -19.8228 -19.8228 -4.6230 -4.6230 -3.9383 -3.9383 3.5335 3.5335 4.2180 4.2180 4.2676 4.2676 4.6610 4.6610 4.9168 4.9168 5.0707 5.0707 5.6472 5.6472 6.2466 6.2466 6.9667 6.9667 7.2242 7.2242 8.3139 8.3139 10.1944 10.1944 10.2253 10.2253 10.5842 10.5842 11.5284 11.5284 k = 0.1152 0.1994-0.0000 ( 3609 PWs) bands (ev): -41.3937 -41.3937 -20.3408 -20.3408 -19.8431 -19.8431 -19.8217 -19.8217 -4.6507 -4.6507 -3.9427 -3.9427 3.4878 3.4878 4.2237 4.2237 4.2688 4.2688 4.6866 4.6866 4.9327 4.9327 5.0731 5.0731 5.7044 5.7044 6.3113 6.3113 6.9773 6.9773 7.2723 7.2723 8.3084 8.3084 10.1993 10.1993 10.2161 10.2161 10.5565 10.5565 11.5520 11.5520 k = 0.1091 0.1890-0.0000 ( 3613 PWs) bands (ev): -41.3938 -41.3938 -20.3402 -20.3402 -19.8427 -19.8427 -19.8207 -19.8207 -4.6773 -4.6773 -3.9471 -3.9471 3.4433 3.4433 4.2277 4.2277 4.2703 4.2703 4.7095 4.7095 4.9462 4.9462 5.0776 5.0776 5.7650 5.7650 6.3809 6.3809 6.9870 6.9870 7.3198 7.3198 8.2970 8.2970 10.2012 10.2012 10.2106 10.2106 10.5305 10.5305 11.5668 11.5668 k = 0.1030 0.1785-0.0000 ( 3613 PWs) bands (ev): -41.3940 -41.3940 -20.3396 -20.3396 -19.8423 -19.8423 -19.8196 -19.8196 -4.7030 -4.7030 -3.9514 -3.9514 3.4003 3.4003 4.2305 4.2305 4.2717 4.2717 4.7296 4.7296 4.9576 4.9576 5.0837 5.0837 5.8288 5.8288 6.4549 6.4549 6.9963 6.9963 7.3664 7.3664 8.2798 8.2798 10.1970 10.1970 10.2112 10.2112 10.5065 10.5065 11.5630 11.5630 k = 0.0970 0.1680-0.0000 ( 3615 PWs) bands (ev): -41.3941 -41.3941 -20.3390 -20.3390 -19.8420 -19.8420 -19.8186 -19.8186 -4.7276 -4.7276 -3.9555 -3.9555 3.3591 3.3591 4.2324 4.2324 4.2728 4.2728 4.7467 4.7467 4.9676 4.9676 5.0907 5.0907 5.8953 5.8953 6.5324 6.5324 7.0057 7.0057 7.4119 7.4119 8.2571 8.2571 10.1910 10.1910 10.2131 10.2131 10.4845 10.4845 11.5534 11.5534 k = 0.0909 0.1575-0.0000 ( 3615 PWs) bands (ev): -41.3942 -41.3942 -20.3384 -20.3384 -19.8417 -19.8417 -19.8175 -19.8175 -4.7511 -4.7511 -3.9595 -3.9595 3.3198 3.3198 4.2338 4.2338 4.2737 4.2737 4.7610 4.7610 4.9766 4.9766 5.0983 5.0983 5.9643 5.9643 6.6119 6.6119 7.0162 7.0162 7.4560 7.4560 8.2293 8.2293 10.1849 10.1849 10.2140 10.2140 10.4647 10.4647 11.5474 11.5474 k = 0.0848 0.1470-0.0000 ( 3619 PWs) bands (ev): -41.3944 -41.3944 -20.3379 -20.3379 -19.8414 -19.8414 -19.8165 -19.8165 -4.7734 -4.7734 -3.9633 -3.9633 3.2826 3.2826 4.2348 4.2348 4.2743 4.2743 4.7726 4.7726 4.9849 4.9849 5.1059 5.1059 6.0354 6.0354 6.6911 6.6911 7.0292 7.0292 7.4986 7.4986 8.1969 8.1969 10.1788 10.1788 10.2133 10.2133 10.4472 10.4472 11.5413 11.5413 k = 0.0788 0.1365-0.0000 ( 3623 PWs) bands (ev): -41.3945 -41.3945 -20.3374 -20.3374 -19.8411 -19.8411 -19.8155 -19.8155 -4.7943 -4.7943 -3.9669 -3.9669 3.2475 3.2475 4.2356 4.2356 4.2747 4.2747 4.7820 4.7820 4.9928 4.9928 5.1133 5.1133 6.1082 6.1082 6.7664 6.7664 7.0478 7.0478 7.5393 7.5393 8.1604 8.1604 10.1727 10.1727 10.2110 10.2110 10.4320 10.4320 11.5129 11.5129 k = 0.0727 0.1260-0.0000 ( 3623 PWs) bands (ev): -41.3946 -41.3946 -20.3369 -20.3369 -19.8409 -19.8409 -19.8146 -19.8146 -4.8140 -4.8140 -3.9703 -3.9703 3.2146 3.2146 4.2361 4.2361 4.2749 4.2749 4.7894 4.7894 5.0004 5.0004 5.1202 5.1202 6.1824 6.1824 6.8320 6.8320 7.0766 7.0766 7.5779 7.5779 8.1205 8.1205 10.1665 10.1665 10.2070 10.2070 10.4189 10.4189 11.4535 11.4535 k = 0.0667 0.1155-0.0000 ( 3621 PWs) bands (ev): -41.3947 -41.3947 -20.3365 -20.3365 -19.8407 -19.8407 -19.8137 -19.8137 -4.8323 -4.8323 -3.9735 -3.9735 3.1841 3.1841 4.2364 4.2364 4.2751 4.2751 4.7951 4.7951 5.0075 5.0075 5.1266 5.1266 6.2577 6.2577 6.8815 6.8815 7.1206 7.1206 7.6141 7.6141 8.0782 8.0782 10.1602 10.1602 10.2015 10.2015 10.4077 10.4077 11.3757 11.3757 k = 0.0606 0.1050-0.0000 ( 3617 PWs) bands (ev): -41.3948 -41.3948 -20.3360 -20.3360 -19.8405 -19.8405 -19.8128 -19.8128 -4.8491 -4.8491 -3.9765 -3.9765 3.1561 3.1561 4.2366 4.2366 4.2752 4.2752 4.7996 4.7996 5.0142 5.0142 5.1324 5.1324 6.3338 6.3338 6.9136 6.9136 7.1796 7.1796 7.6478 7.6478 8.0348 8.0348 10.1541 10.1541 10.1948 10.1948 10.3979 10.3979 11.2874 11.2874 k = 0.0545 0.0945-0.0000 ( 3609 PWs) bands (ev): -41.3949 -41.3949 -20.3356 -20.3356 -19.8404 -19.8404 -19.8120 -19.8120 -4.8645 -4.8645 -3.9792 -3.9792 3.1305 3.1305 4.2366 4.2366 4.2753 4.2753 4.8031 4.8031 5.0205 5.0205 5.1375 5.1375 6.4103 6.4103 6.9327 6.9327 7.2466 7.2466 7.6786 7.6786 7.9921 7.9921 10.1483 10.1483 10.1870 10.1870 10.3891 10.3891 11.1942 11.1942 k = 0.0485 0.0840-0.0000 ( 3605 PWs) bands (ev): -41.3950 -41.3950 -20.3353 -20.3353 -19.8402 -19.8402 -19.8113 -19.8113 -4.8783 -4.8783 -3.9817 -3.9817 3.1074 3.1074 4.2365 4.2365 4.2754 4.2754 4.8057 4.8057 5.0261 5.0261 5.1421 5.1421 6.4866 6.4866 6.9444 6.9444 7.3128 7.3128 7.7063 7.7063 7.9529 7.9529 10.1428 10.1428 10.1786 10.1786 10.3807 10.3807 11.1008 11.1008 k = 0.0424 0.0735-0.0000 ( 3601 PWs) bands (ev): -41.3950 -41.3950 -20.3350 -20.3350 -19.8401 -19.8401 -19.8106 -19.8106 -4.8906 -4.8906 -3.9839 -3.9839 3.0870 3.0870 4.2362 4.2362 4.2755 4.2755 4.8076 4.8076 5.0312 5.0312 5.1461 5.1461 6.5623 6.5623 6.9519 6.9519 7.3700 7.3700 7.7304 7.7304 7.9215 7.9215 10.1377 10.1377 10.1698 10.1698 10.3722 10.3722 11.0107 11.0107 k = 0.0364 0.0630-0.0000 ( 3593 PWs) bands (ev): -41.3951 -41.3951 -20.3347 -20.3347 -19.8400 -19.8400 -19.8100 -19.8100 -4.9014 -4.9014 -3.9858 -3.9858 3.0692 3.0692 4.2359 4.2359 4.2757 4.2757 4.8091 4.8091 5.0356 5.0356 5.1495 5.1495 6.6366 6.6366 6.9573 6.9573 7.4104 7.4104 7.7505 7.7505 7.9034 7.9034 10.1333 10.1333 10.1608 10.1608 10.3632 10.3632 10.9274 10.9274 k = 0.0303 0.0525-0.0000 ( 3605 PWs) bands (ev): -41.3952 -41.3952 -20.3345 -20.3345 -19.8400 -19.8400 -19.8095 -19.8095 -4.9105 -4.9105 -3.9875 -3.9875 3.0541 3.0541 4.2355 4.2355 4.2759 4.2759 4.8101 4.8101 5.0393 5.0393 5.1522 5.1522 6.7081 6.7081 6.9618 6.9618 7.4277 7.4277 7.7667 7.7667 7.9024 7.9024 10.1294 10.1294 10.1518 10.1518 10.3533 10.3533 10.8536 10.8536 k = 0.0242 0.0420-0.0000 ( 3611 PWs) bands (ev): -41.3952 -41.3952 -20.3343 -20.3343 -19.8399 -19.8399 -19.8092 -19.8092 -4.9180 -4.9180 -3.9888 -3.9888 3.0417 3.0417 4.2351 4.2351 4.2760 4.2760 4.8109 4.8109 5.0423 5.0423 5.1544 5.1544 6.7751 6.7751 6.9668 6.9668 7.4218 7.4218 7.7801 7.7801 7.9165 7.9165 10.1261 10.1261 10.1431 10.1431 10.3428 10.3428 10.7919 10.7919 k = 0.0182 0.0315-0.0000 ( 3615 PWs) bands (ev): -41.3952 -41.3952 -20.3342 -20.3342 -19.8399 -19.8399 -19.8088 -19.8088 -4.9238 -4.9238 -3.9899 -3.9899 3.0320 3.0320 4.2347 4.2347 4.2762 4.2762 4.8114 4.8114 5.0446 5.0446 5.1561 5.1561 6.8337 6.8337 6.9741 6.9741 7.3989 7.3989 7.7912 7.7912 7.9383 7.9383 10.1233 10.1233 10.1353 10.1353 10.3325 10.3325 10.7437 10.7437 k = 0.0121 0.0210-0.0000 ( 3611 PWs) bands (ev): -41.3953 -41.3953 -20.3341 -20.3341 -19.8398 -19.8398 -19.8086 -19.8086 -4.9280 -4.9280 -3.9906 -3.9906 3.0251 3.0251 4.2345 4.2345 4.2763 4.2763 4.8118 4.8118 5.0464 5.0464 5.1574 5.1574 6.8779 6.8779 6.9863 6.9863 7.3688 7.3688 7.7996 7.7996 7.9600 7.9600 10.1207 10.1207 10.1294 10.1294 10.3234 10.3234 10.7097 10.7097 k = 0.0061 0.0105-0.0000 ( 3599 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8398 -19.8398 -19.8084 -19.8084 -4.9305 -4.9305 -3.9911 -3.9911 3.0210 3.0210 4.2344 4.2344 4.2764 4.2764 4.8120 4.8120 5.0474 5.0474 5.1582 5.1582 6.9025 6.9025 7.0020 7.0020 7.3427 7.3427 7.8047 7.8047 7.9754 7.9754 10.1184 10.1184 10.1261 10.1261 10.3173 10.3173 10.6897 10.6897 k = 0.0000 0.0000 0.0000 ( 3599 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8398 -19.8398 -19.8084 -19.8084 -4.9314 -4.9314 -3.9913 -3.9913 3.0196 3.0196 4.2343 4.2343 4.2764 4.2764 4.8121 4.8121 5.0478 5.0478 5.1584 5.1584 6.9096 6.9096 7.0100 7.0100 7.3321 7.3321 7.8065 7.8065 7.9810 7.9810 10.1174 10.1174 10.1251 10.1251 10.3151 10.3151 10.6831 10.6831 k = 0.0000 0.0000 0.0000 ( 3599 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8398 -19.8398 -19.8084 -19.8084 -4.9314 -4.9314 -3.9913 -3.9913 3.0196 3.0196 4.2343 4.2343 4.2764 4.2764 4.8121 4.8121 5.0478 5.0478 5.1584 5.1584 6.9096 6.9096 7.0100 7.0100 7.3321 7.3321 7.8065 7.8065 7.9810 7.9810 10.1174 10.1174 10.1251 10.1251 10.3151 10.3151 10.6831 10.6831 k = 0.0000 0.0000 0.0121 ( 3605 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8398 -19.8398 -19.8084 -19.8084 -4.9306 -4.9306 -3.9924 -3.9924 3.0225 3.0225 4.2346 4.2346 4.2768 4.2768 4.8122 4.8122 5.0479 5.0479 5.1584 5.1584 6.9036 6.9036 7.0061 7.0061 7.3284 7.3284 7.8067 7.8067 7.9853 7.9853 10.1169 10.1169 10.1246 10.1246 10.3218 10.3218 10.6847 10.6847 k = 0.0000 0.0000 0.0243 ( 3599 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8398 -19.8398 -19.8084 -19.8084 -4.9284 -4.9284 -3.9957 -3.9957 3.0312 3.0312 4.2355 4.2355 4.2781 4.2781 4.8128 4.8128 5.0484 5.0484 5.1585 5.1585 6.8863 6.8863 6.9947 6.9947 7.3161 7.3161 7.8088 7.8088 7.9982 7.9982 10.1155 10.1155 10.1232 10.1232 10.3404 10.3404 10.6905 10.6905 k = 0.0000 0.0000 0.0364 ( 3611 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8398 -19.8398 -19.8084 -19.8084 -4.9247 -4.9247 -4.0013 -4.0013 3.0457 3.0457 4.2369 4.2369 4.2801 4.2801 4.8137 4.8137 5.0490 5.0490 5.1586 5.1586 6.8594 6.8594 6.9764 6.9765 7.2919 7.2919 7.8155 7.8155 8.0188 8.0188 10.1132 10.1132 10.1209 10.1209 10.3662 10.3662 10.7044 10.7044 k = 0.0000 0.0000 0.0486 ( 3605 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8398 -19.8398 -19.8084 -19.8084 -4.9195 -4.9195 -4.0090 -4.0090 3.0659 3.0659 4.2390 4.2390 4.2830 4.2830 4.8150 4.8150 5.0500 5.0500 5.1587 5.1587 6.8250 6.8250 6.9524 6.9524 7.2528 7.2528 7.8295 7.8295 8.0461 8.0461 10.1099 10.1099 10.1178 10.1178 10.3914 10.3914 10.7325 10.7325 k = 0.0000 0.0000 0.0607 ( 3611 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8398 -19.8398 -19.8084 -19.8084 -4.9129 -4.9129 -4.0188 -4.0188 3.0917 3.0917 4.2416 4.2416 4.2866 4.2866 4.8166 4.8166 5.0512 5.0512 5.1588 5.1588 6.7850 6.7850 6.9236 6.9237 7.1982 7.1982 7.8521 7.8521 8.0791 8.0791 10.1059 10.1059 10.1137 10.1137 10.4080 10.4080 10.7808 10.7808 k = 0.0000 0.0000 0.0729 ( 3617 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8084 -19.8084 -4.9049 -4.9049 -4.0306 -4.0306 3.1229 3.1229 4.2447 4.2447 4.2909 4.2909 4.8184 4.8184 5.0526 5.0526 5.1588 5.1588 6.7408 6.7408 6.8913 6.8913 7.1294 7.1294 7.8825 7.8825 8.1165 8.1165 10.1009 10.1009 10.1089 10.1089 10.4124 10.4124 10.8513 10.8513 k = 0.0000 0.0000 0.0850 ( 3617 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8084 -19.8084 -4.8955 -4.8955 -4.0443 -4.0443 3.1595 3.1595 4.2483 4.2483 4.2960 4.2960 4.8204 4.8204 5.0543 5.0543 5.1587 5.1587 6.6935 6.6935 6.8564 6.8564 7.0492 7.0492 7.9191 7.9191 8.1573 8.1573 10.0953 10.0953 10.1032 10.1032 10.4054 10.4054 10.9413 10.9413 k = 0.0000 0.0000 0.0972 ( 3605 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8084 -19.8084 -4.8847 -4.8847 -4.0597 -4.0597 3.2011 3.2011 4.2523 4.2523 4.3017 4.3017 4.8225 4.8225 5.0564 5.0564 5.1586 5.1586 6.6437 6.6437 6.8199 6.8199 6.9609 6.9609 7.9603 7.9603 8.2005 8.2005 10.0889 10.0889 10.0969 10.0969 10.3904 10.3904 11.0463 11.0463 k = 0.0000 0.0000 0.1093 ( 3605 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8084 -19.8084 -4.8727 -4.8727 -4.0768 -4.0768 3.2477 3.2477 4.2567 4.2567 4.3079 4.3079 4.8246 4.8246 5.0585 5.0585 5.1581 5.1581 6.5910 6.5910 6.7825 6.7825 6.8681 6.8681 8.0044 8.0044 8.2451 8.2451 10.0820 10.0820 10.0900 10.0900 10.3699 10.3699 11.1620 11.1620 k = 0.0000 0.0000 0.1215 ( 3605 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8084 -19.8084 -4.8594 -4.8594 -4.0954 -4.0954 3.2989 3.2989 4.2613 4.2613 4.3146 4.3146 4.8264 4.8264 5.0608 5.0608 5.1573 5.1573 6.5347 6.5347 6.7449 6.7449 6.7746 6.7746 8.0500 8.0500 8.2905 8.2905 10.0744 10.0744 10.0824 10.0824 10.3460 10.3460 11.2853 11.2853 k = 0.0000 0.0000 0.1336 ( 3605 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8084 -19.8084 -4.8451 -4.8451 -4.1153 -4.1153 3.3545 3.3545 4.2660 4.2660 4.3218 4.3218 4.8279 4.8279 5.0632 5.0632 5.1560 5.1560 6.4723 6.4723 6.6851 6.6851 6.7077 6.7077 8.0963 8.0963 8.3360 8.3360 10.0665 10.0665 10.0744 10.0744 10.3202 10.3202 11.4136 11.4136 k = 0.0000 0.0000 0.1458 ( 3605 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8084 -19.8084 -4.8296 -4.8296 -4.1363 -4.1363 3.4140 3.4140 4.2710 4.2710 4.3294 4.3294 4.8287 4.8287 5.0658 5.0658 5.1541 5.1541 6.4012 6.4012 6.6047 6.6047 6.6714 6.6714 8.1422 8.1422 8.3810 8.3810 10.0582 10.0582 10.0661 10.0661 10.2935 10.2935 11.5449 11.5449 k = 0.0000 0.0000 0.1579 ( 3605 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8084 -19.8084 -4.8132 -4.8132 -4.1582 -4.1582 3.4771 3.4771 4.2759 4.2759 4.3374 4.3374 4.8286 4.8286 5.0684 5.0684 5.1515 5.1515 6.3201 6.3201 6.5365 6.5365 6.6364 6.6364 8.1871 8.1871 8.4248 8.4248 10.0497 10.0497 10.0575 10.0575 10.2668 10.2668 11.6771 11.6771 k = 0.0000 0.0000 0.1701 ( 3598 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8084 -19.8084 -4.7961 -4.7961 -4.1808 -4.1808 3.5433 3.5433 4.2808 4.2808 4.3457 4.3457 4.8273 4.8273 5.0711 5.0711 5.1479 5.1479 6.2315 6.2315 6.4800 6.4800 6.6032 6.6032 8.2304 8.2304 8.4670 8.4670 10.0411 10.0411 10.0487 10.0487 10.2407 10.2407 11.8084 11.8084 k = 0.0000 0.0000 0.1822 ( 3604 PWs) bands (ev): -41.3953 -41.3953 -20.3341 -20.3341 -19.8399 -19.8399 -19.8084 -19.8084 -4.7782 -4.7782 -4.2038 -4.2038 3.6118 3.6118 4.2856 4.2856 4.3543 4.3543 4.8242 4.8242 5.0738 5.0738 5.1431 5.1431 6.1397 6.1397 6.4327 6.4327 6.5720 6.5720 8.2714 8.2714 8.5070 8.5070 10.0326 10.0326 10.0400 10.0400 10.2156 10.2156 11.9365 11.9365 k = 0.0000 0.0000 0.1944 ( 3616 PWs) bands (ev): -41.3953 -41.3953 -20.3341 -20.3341 -19.8400 -19.8400 -19.8084 -19.8084 -4.7600 -4.7600 -4.2270 -4.2270 3.6820 3.6820 4.2900 4.2900 4.3634 4.3634 4.8187 4.8187 5.0762 5.0762 5.1370 5.1370 6.0490 6.0490 6.3923 6.3923 6.5432 6.5432 8.3097 8.3097 8.5444 8.5444 10.0243 10.0243 10.0315 10.0315 10.1922 10.1922 11.9992 11.9992 k = 0.0000 0.0000 0.2065 ( 3604 PWs) bands (ev): -41.3953 -41.3953 -20.3341 -20.3341 -19.8400 -19.8400 -19.8084 -19.8084 -4.7416 -4.7416 -4.2499 -4.2499 3.7527 3.7527 4.2944 4.2944 4.3732 4.3732 4.8102 4.8102 5.0788 5.0788 5.1297 5.1297 5.9628 5.9628 6.3575 6.3575 6.5172 6.5172 8.3448 8.3448 8.5788 8.5788 10.0165 10.0165 10.0233 10.0233 10.1708 10.1708 11.9883 11.9883 k = 0.0000 0.0000 0.2187 ( 3592 PWs) bands (ev): -41.3953 -41.3953 -20.3341 -20.3341 -19.8399 -19.8399 -19.8084 -19.8084 -4.7234 -4.7234 -4.2722 -4.2722 3.8227 3.8227 4.2983 4.2983 4.3840 4.3840 4.7978 4.7978 5.0811 5.0811 5.1212 5.1212 5.8839 5.8839 6.3277 6.3277 6.4941 6.4941 8.3762 8.3762 8.6096 8.6096 10.0092 10.0092 10.0158 10.0158 10.1516 10.1516 11.9780 11.9780 k = 0.0000 0.0000 0.2308 ( 3580 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8084 -19.8084 -4.7059 -4.7059 -4.2933 -4.2933 3.8901 3.8901 4.3017 4.3017 4.3963 4.3963 4.7805 4.7805 5.0833 5.0833 5.1118 5.1118 5.8144 5.8144 6.3026 6.3026 6.4741 6.4741 8.4036 8.4036 8.6365 8.6365 10.0026 10.0026 10.0090 10.0090 10.1349 10.1349 11.9689 11.9689 k = 0.0000 0.0000 0.2430 ( 3580 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8084 -19.8084 -4.6896 -4.6896 -4.3125 -4.3125 3.9522 3.9522 4.3046 4.3046 4.4105 4.4105 4.7580 4.7580 5.0851 5.0851 5.1022 5.1022 5.7563 5.7563 6.2819 6.2819 6.4575 6.4575 8.4265 8.4265 8.6590 8.6590 9.9970 9.9970 10.0030 10.0030 10.1210 10.1210 11.9613 11.9613 k = 0.0000 0.0000 0.2551 ( 3580 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8084 -19.8084 -4.6754 -4.6754 -4.3291 -4.3291 4.0061 4.0061 4.3069 4.3069 4.4271 4.4271 4.7310 4.7310 5.0865 5.0865 5.0934 5.0934 5.7107 5.7107 6.2658 6.2658 6.4443 6.4443 8.4447 8.4447 8.6770 8.6770 9.9924 9.9924 9.9982 9.9982 10.1100 10.1100 11.9551 11.9551 k = 0.0000 0.0000 0.2673 ( 3562 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8083 -19.8083 -4.6642 -4.6642 -4.3421 -4.3421 4.0481 4.0481 4.3087 4.3087 4.4457 4.4457 4.7024 4.7024 5.0865 5.0865 5.0876 5.0876 5.6782 5.6782 6.2543 6.2543 6.4350 6.4350 8.4579 8.4579 8.6900 8.6900 9.9890 9.9890 9.9947 9.9947 10.1021 10.1021 11.9507 11.9507 k = 0.0000 0.0000 0.2794 ( 3568 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8083 -19.8083 -4.6569 -4.6569 -4.3504 -4.3504 4.0747 4.0747 4.3097 4.3097 4.4623 4.4623 4.6784 4.6784 5.0820 5.0820 5.0882 5.0882 5.6587 5.6587 6.2473 6.2473 6.4292 6.4292 8.4659 8.4659 8.6979 8.6979 9.9870 9.9870 9.9925 9.9925 10.0973 10.0973 11.9479 11.9479 k = 0.0000 0.0000 0.2916 ( 3568 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8083 -19.8083 -4.6544 -4.6544 -4.3533 -4.3533 4.0839 4.0839 4.3101 4.3101 4.4695 4.4695 4.6685 4.6685 5.0805 5.0805 5.0885 5.0885 5.6523 5.6523 6.2450 6.2450 6.4273 6.4273 8.4686 8.4686 8.7005 8.7005 9.9863 9.9863 9.9918 9.9918 10.0957 10.0957 11.9470 11.9470 k = 0.0000 0.0000 0.2916 ( 3568 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8083 -19.8083 -4.6544 -4.6544 -4.3533 -4.3533 4.0839 4.0839 4.3101 4.3101 4.4695 4.4695 4.6685 4.6685 5.0805 5.0805 5.0885 5.0885 5.6523 5.6523 6.2450 6.2450 6.4273 6.4273 8.4686 8.4686 8.7005 8.7005 9.9863 9.9863 9.9918 9.9918 10.0957 10.0957 11.9470 11.9470 k = 0.0106 0.0061 0.2916 ( 3590 PWs) bands (ev): -41.3953 -41.3953 -20.3341 -20.3341 -19.8400 -19.8400 -19.8084 -19.8084 -4.6536 -4.6536 -4.3529 -4.3529 4.0841 4.0841 4.3078 4.3078 4.4652 4.4652 4.6753 4.6753 5.0800 5.0800 5.0884 5.0884 5.6453 5.6453 6.2491 6.2491 6.4305 6.4305 8.4619 8.4619 8.6927 8.6927 9.9889 9.9889 9.9943 9.9943 10.1001 10.1001 11.9358 11.9358 k = 0.0213 0.0123 0.2916 ( 3594 PWs) bands (ev): -41.3953 -41.3953 -20.3342 -20.3342 -19.8400 -19.8400 -19.8086 -19.8086 -4.6515 -4.6515 -4.3515 -4.3515 4.0850 4.0850 4.3012 4.3012 4.4547 4.4547 4.6937 4.6937 5.0787 5.0787 5.0888 5.0888 5.6255 5.6255 6.2602 6.2602 6.4407 6.4407 8.4416 8.4416 8.6704 8.6704 9.9937 9.9937 10.0036 10.0036 10.1144 10.1144 11.8965 11.8965 k = 0.0319 0.0184 0.2916 ( 3590 PWs) bands (ev): -41.3952 -41.3952 -20.3343 -20.3343 -19.8400 -19.8400 -19.8088 -19.8088 -4.6480 -4.6480 -4.3492 -4.3492 4.0866 4.0866 4.2899 4.2899 4.4422 4.4422 4.7195 4.7195 5.0764 5.0764 5.0899 5.0899 5.5952 5.5952 6.2755 6.2755 6.4584 6.4584 8.4068 8.4068 8.6371 8.6371 9.9961 9.9961 10.0204 10.0204 10.1395 10.1395 11.8285 11.8285 k = 0.0426 0.0246 0.2916 ( 3594 PWs) bands (ev): -41.3952 -41.3952 -20.3344 -20.3344 -19.8401 -19.8401 -19.8092 -19.8092 -4.6431 -4.6431 -4.3460 -4.3460 4.0885 4.0885 4.2738 4.2738 4.4310 4.4310 4.7491 4.7491 5.0729 5.0729 5.0921 5.0921 5.5575 5.5575 6.2918 6.2918 6.4840 6.4840 8.3568 8.3568 8.5970 8.5970 9.9952 9.9952 10.0435 10.0435 10.1748 10.1748 11.7435 11.7435 k = 0.0532 0.0307 0.2916 ( 3598 PWs) bands (ev): -41.3951 -41.3951 -20.3346 -20.3346 -19.8401 -19.8401 -19.8096 -19.8096 -4.6369 -4.6369 -4.3419 -4.3419 4.0906 4.0906 4.2535 4.2535 4.4224 4.4224 4.7797 4.7797 5.0682 5.0682 5.0959 5.0959 5.5150 5.5150 6.3069 6.3069 6.5171 6.5171 8.2914 8.2914 8.5537 8.5537 9.9908 9.9908 10.0717 10.0717 10.2177 10.2177 11.6510 11.6510 k = 0.0638 0.0369 0.2916 ( 3598 PWs) bands (ev): -41.3951 -41.3951 -20.3348 -20.3348 -19.8402 -19.8402 -19.8101 -19.8101 -4.6292 -4.6292 -4.3370 -4.3370 4.0925 4.0925 4.2306 4.2306 4.4167 4.4167 4.8087 4.8087 5.0625 5.0625 5.1021 5.1021 5.4704 5.4704 6.3202 6.3202 6.5561 6.5561 8.2123 8.2123 8.5092 8.5092 9.9836 9.9836 10.1043 10.1043 10.2654 10.2654 11.5560 11.5560 k = 0.0745 0.0430 0.2916 ( 3594 PWs) bands (ev): -41.3950 -41.3950 -20.3351 -20.3351 -19.8403 -19.8403 -19.8107 -19.8107 -4.6203 -4.6203 -4.3312 -4.3312 4.0933 4.0933 4.2069 4.2069 4.4132 4.4132 4.8333 4.8333 5.0561 5.0561 5.1116 5.1116 5.4259 5.4259 6.3319 6.3319 6.5993 6.5993 8.1218 8.1218 8.4644 8.4644 9.9740 9.9740 10.1406 10.1406 10.3153 10.3153 11.4611 11.4611 k = 0.0851 0.0491 0.2916 ( 3590 PWs) bands (ev): -41.3950 -41.3950 -20.3354 -20.3354 -19.8404 -19.8404 -19.8113 -19.8113 -4.6100 -4.6100 -4.3245 -4.3245 4.0914 4.0914 4.1850 4.1850 4.4115 4.4115 4.8508 4.8508 5.0495 5.0495 5.1254 5.1254 5.3838 5.3838 6.3425 6.3425 6.6450 6.6450 8.0225 8.0225 8.4194 8.4194 9.9622 9.9622 10.1796 10.1796 10.3654 10.3654 11.3683 11.3683 k = 0.0957 0.0553 0.2916 ( 3598 PWs) bands (ev): -41.3949 -41.3949 -20.3358 -20.3358 -19.8406 -19.8406 -19.8121 -19.8121 -4.5985 -4.5985 -4.3171 -4.3171 4.0841 4.0841 4.1682 4.1682 4.4108 4.4108 4.8581 4.8581 5.0432 5.0432 5.1439 5.1439 5.3463 5.3463 6.3521 6.3521 6.6917 6.6917 7.9169 7.9169 8.3742 8.3742 9.9483 9.9483 10.2207 10.2207 10.4142 10.4142 11.2790 11.2790 k = 0.1064 0.0614 0.2916 ( 3592 PWs) bands (ev): -41.3948 -41.3948 -20.3361 -20.3361 -19.8407 -19.8407 -19.8129 -19.8129 -4.5858 -4.5858 -4.3088 -4.3088 4.0691 4.0691 4.1591 4.1591 4.4110 4.4110 4.8538 4.8538 5.0381 5.0381 5.1654 5.1654 5.3168 5.3168 6.3611 6.3611 6.7381 6.7381 7.8070 7.8070 8.3289 8.3289 9.9326 9.9326 10.2633 10.2633 10.4603 10.4603 11.1948 11.1948 k = 0.1170 0.0676 0.2916 ( 3598 PWs) bands (ev): -41.3947 -41.3947 -20.3366 -20.3366 -19.8409 -19.8409 -19.8138 -19.8138 -4.5718 -4.5718 -4.2998 -4.2998 4.0477 4.0477 4.1567 4.1567 4.4117 4.4117 4.8379 4.8379 5.0341 5.0341 5.1843 5.1843 5.3011 5.3011 6.3696 6.3696 6.7832 6.7832 7.6946 7.6946 8.2838 8.2838 9.9149 9.9149 10.3067 10.3067 10.5020 10.5020 11.1174 11.1174 k = 0.1277 0.0737 0.2916 ( 3598 PWs) bands (ev): -41.3946 -41.3946 -20.3370 -20.3370 -19.8411 -19.8411 -19.8147 -19.8147 -4.5567 -4.5567 -4.2900 -4.2900 4.0228 4.0228 4.1581 4.1581 4.4125 4.4125 4.8124 4.8124 5.0312 5.0312 5.1916 5.1916 5.3073 5.3073 6.3776 6.3776 6.8257 6.8257 7.5814 7.5814 8.2390 8.2390 9.8953 9.8953 10.3504 10.3504 10.5376 10.5376 11.0492 11.0492 k = 0.1383 0.0798 0.2916 ( 3598 PWs) bands (ev): -41.3945 -41.3945 -20.3375 -20.3375 -19.8414 -19.8414 -19.8156 -19.8156 -4.5406 -4.5406 -4.2796 -4.2796 3.9963 3.9963 4.1613 4.1613 4.4133 4.4133 4.7796 4.7796 5.0289 5.0289 5.1867 5.1867 5.3341 5.3341 6.3851 6.3851 6.8639 6.8639 7.4697 7.4697 8.1948 8.1948 9.8737 9.8737 10.3939 10.3939 10.5643 10.5643 10.9934 10.9934 k = 0.1489 0.0860 0.2916 ( 3604 PWs) bands (ev): -41.3943 -41.3943 -20.3381 -20.3381 -19.8416 -19.8416 -19.8166 -19.8166 -4.5234 -4.5234 -4.2685 -4.2685 3.9694 3.9694 4.1648 4.1648 4.4134 4.4134 4.7424 4.7424 5.0270 5.0270 5.1773 5.1773 5.3721 5.3721 6.3918 6.3918 6.8947 6.8947 7.3630 7.3630 8.1516 8.1516 9.8500 9.8500 10.4367 10.4367 10.5787 10.5787 10.9540 10.9540 k = 0.1596 0.0921 0.2916 ( 3610 PWs) bands (ev): -41.3942 -41.3942 -20.3386 -20.3386 -19.8419 -19.8419 -19.8177 -19.8177 -4.5052 -4.5052 -4.2567 -4.2567 3.9427 3.9427 4.1678 4.1678 4.4125 4.4125 4.7033 4.7033 5.0251 5.0251 5.1679 5.1679 5.4153 5.4153 6.3978 6.3978 6.9118 6.9118 7.2683 7.2683 8.1097 8.1097 9.8241 9.8241 10.4783 10.4783 10.5786 10.5786 10.9342 10.9342 k = 0.1702 0.0983 0.2916 ( 3614 PWs) bands (ev): -41.3941 -41.3941 -20.3392 -20.3392 -19.8423 -19.8423 -19.8187 -19.8187 -4.4861 -4.4861 -4.2444 -4.2444 3.9165 3.9165 4.1695 4.1695 4.4099 4.4099 4.6652 4.6652 5.0235 5.0235 5.1598 5.1598 5.4608 5.4608 6.4029 6.4029 6.9019 6.9019 7.1990 7.1990 8.0693 8.0693 9.7961 9.7961 10.5168 10.5168 10.5666 10.5666 10.9331 10.9331 k = 0.1809 0.1044 0.2916 ( 3612 PWs) bands (ev): -41.3939 -41.3939 -20.3398 -20.3398 -19.8427 -19.8427 -19.8197 -19.8197 -4.4661 -4.4661 -4.2316 -4.2316 3.8909 3.8909 4.1690 4.1690 4.4046 4.4046 4.6306 4.6306 5.0218 5.0218 5.1533 5.1533 5.5071 5.5071 6.4070 6.4070 6.8527 6.8527 7.1683 7.1683 8.0307 8.0307 9.7662 9.7662 10.5317 10.5317 10.5678 10.5678 10.9463 10.9463 k = 0.1915 0.1106 0.2916 ( 3608 PWs) bands (ev): -41.3938 -41.3938 -20.3405 -20.3405 -19.8431 -19.8431 -19.8207 -19.8207 -4.4454 -4.4454 -4.2183 -4.2183 3.8662 3.8662 4.1651 4.1651 4.3958 4.3958 4.6022 4.6022 5.0203 5.0203 5.1485 5.1485 5.5531 5.5531 6.4099 6.4099 6.7724 6.7724 7.1684 7.1684 7.9941 7.9941 9.7345 9.7345 10.5099 10.5099 10.6008 10.6008 10.9687 10.9687 k = 0.2021 0.1167 0.2916 ( 3604 PWs) bands (ev): -41.3937 -41.3937 -20.3411 -20.3411 -19.8436 -19.8436 -19.8217 -19.8217 -4.4240 -4.4240 -4.2046 -4.2046 3.8423 3.8423 4.1564 4.1564 4.3835 4.3835 4.5817 4.5817 5.0187 5.0187 5.1451 5.1451 5.5979 5.5979 6.4114 6.4114 6.6783 6.6783 7.1831 7.1831 7.9598 7.9598 9.7013 9.7013 10.4847 10.4847 10.6357 10.6357 10.9963 10.9963 k = 0.2128 0.1228 0.2916 ( 3604 PWs) bands (ev): -41.3935 -41.3935 -20.3418 -20.3418 -19.8442 -19.8442 -19.8227 -19.8227 -4.4020 -4.4020 -4.1905 -4.1905 3.8194 3.8194 4.1418 4.1418 4.3689 4.3689 4.5693 4.5693 5.0172 5.0172 5.1430 5.1430 5.6403 5.6403 6.4110 6.4110 6.5809 6.5809 7.2032 7.2032 7.9278 7.9278 9.6672 9.6672 10.4616 10.4616 10.6691 10.6691 11.0270 11.0270 k = 0.2234 0.1290 0.2916 ( 3596 PWs) bands (ev): -41.3934 -41.3934 -20.3424 -20.3424 -19.8448 -19.8448 -19.8236 -19.8236 -4.3794 -4.3794 -4.1761 -4.1761 3.7976 3.7976 4.1203 4.1203 4.3546 4.3546 4.5638 4.5638 5.0156 5.0156 5.1422 5.1422 5.6790 5.6790 6.4072 6.4072 6.4869 6.4869 7.2248 7.2248 7.8985 7.8985 9.6326 9.6326 10.4422 10.4422 10.7004 10.7004 11.0593 11.0593 k = 0.2340 0.1351 0.2916 ( 3600 PWs) bands (ev): -41.3932 -41.3932 -20.3431 -20.3431 -19.8454 -19.8454 -19.8245 -19.8245 -4.3564 -4.3564 -4.1615 -4.1615 3.7768 3.7768 4.0920 4.0920 4.3421 4.3421 4.5633 4.5633 5.0140 5.0140 5.1425 5.1425 5.7120 5.7120 6.3780 6.3780 6.4219 6.4219 7.2466 7.2466 7.8717 7.8717 9.5982 9.5982 10.4268 10.4268 10.7296 10.7296 11.0924 11.0924 k = 0.2447 0.1413 0.2916 ( 3596 PWs) bands (ev): -41.3930 -41.3930 -20.3438 -20.3438 -19.8461 -19.8461 -19.8253 -19.8253 -4.3331 -4.3331 -4.1467 -4.1467 3.7572 3.7572 4.0581 4.0581 4.3321 4.3321 4.5662 4.5662 5.0123 5.0123 5.1437 5.1437 5.7370 5.7370 6.3029 6.3029 6.4097 6.4097 7.2679 7.2679 7.8478 7.8478 9.5643 9.5643 10.4156 10.4156 10.7564 10.7564 11.1259 11.1259 k = 0.2553 0.1474 0.2916 ( 3592 PWs) bands (ev): -41.3929 -41.3929 -20.3445 -20.3445 -19.8469 -19.8469 -19.8260 -19.8260 -4.3095 -4.3095 -4.1317 -4.1317 3.7387 3.7387 4.0200 4.0200 4.3244 4.3244 4.5713 4.5713 5.0104 5.0104 5.1457 5.1457 5.7503 5.7503 6.2333 6.2333 6.4029 6.4029 7.2890 7.2890 7.8266 7.8266 9.5316 9.5316 10.4084 10.4084 10.7810 10.7810 11.1593 11.1593 k = 0.2660 0.1536 0.2916 ( 3588 PWs) bands (ev): -41.3927 -41.3927 -20.3452 -20.3452 -19.8478 -19.8478 -19.8267 -19.8267 -4.2858 -4.2858 -4.1167 -4.1167 3.7215 3.7215 3.9794 3.9794 4.3182 4.3182 4.5775 4.5775 5.0081 5.0081 5.1482 5.1482 5.7482 5.7482 6.1793 6.1793 6.3955 6.3955 7.3099 7.3099 7.8081 7.8081 9.5003 9.5003 10.4051 10.4051 10.8032 10.8032 11.1924 11.1924 k = 0.2766 0.1597 0.2916 ( 3584 PWs) bands (ev): -41.3926 -41.3926 -20.3459 -20.3459 -19.8486 -19.8486 -19.8273 -19.8273 -4.2620 -4.2620 -4.1017 -4.1017 3.7054 3.7054 3.9375 3.9375 4.3130 4.3130 4.5841 4.5841 5.0053 5.0053 5.1511 5.1511 5.7290 5.7290 6.1437 6.1437 6.3872 6.3872 7.3311 7.3311 7.7924 7.7924 9.4706 9.4706 10.4054 10.4054 10.8232 10.8232 11.2248 11.2248 k = 0.2872 0.1658 0.2916 ( 3578 PWs) bands (ev): -41.3924 -41.3924 -20.3466 -20.3466 -19.8496 -19.8496 -19.8279 -19.8279 -4.2383 -4.2383 -4.0867 -4.0867 3.6906 3.6906 3.8952 3.8952 4.3083 4.3083 4.5902 4.5902 5.0017 5.0017 5.1541 5.1541 5.6956 5.6956 6.1243 6.1243 6.3777 6.3777 7.3533 7.3533 7.7792 7.7793 9.4429 9.4429 10.4091 10.4091 10.8410 10.8410 11.2563 11.2563 k = 0.2979 0.1720 0.2916 ( 3578 PWs) bands (ev): -41.3923 -41.3923 -20.3473 -20.3473 -19.8505 -19.8505 -19.8284 -19.8284 -4.2148 -4.2148 -4.0719 -4.0719 3.6769 3.6769 3.8533 3.8533 4.3038 4.3038 4.5950 4.5950 4.9968 4.9968 5.1571 5.1571 5.6544 5.6544 6.1155 6.1155 6.3673 6.3673 7.3769 7.3769 7.7686 7.7686 9.4169 9.4169 10.4158 10.4158 10.8567 10.8567 11.2865 11.2865 k = 0.3085 0.1781 0.2916 ( 3578 PWs) bands (ev): -41.3921 -41.3921 -20.3480 -20.3480 -19.8515 -19.8515 -19.8289 -19.8289 -4.1915 -4.1915 -4.0574 -4.0574 3.6644 3.6644 3.8124 3.8124 4.2993 4.2993 4.5978 4.5978 4.9902 4.9902 5.1599 5.1599 5.6121 5.6121 6.1115 6.1115 6.3559 6.3559 7.4023 7.4023 7.7603 7.7603 9.3928 9.3928 10.4255 10.4255 10.8704 10.8704 11.3149 11.3149 k = 0.3191 0.1843 0.2916 ( 3590 PWs) bands (ev): -41.3920 -41.3920 -20.3487 -20.3487 -19.8525 -19.8525 -19.8293 -19.8293 -4.1687 -4.1687 -4.0431 -4.0431 3.6528 3.6528 3.7731 3.7731 4.2946 4.2946 4.5975 4.5975 4.9813 4.9813 5.1627 5.1627 5.5737 5.5737 6.1083 6.1083 6.3435 6.3435 7.4299 7.4299 7.7543 7.7543 9.3704 9.3704 10.4380 10.4380 10.8823 10.8823 11.3412 11.3412 k = 0.3298 0.1904 0.2916 ( 3594 PWs) bands (ev): -41.3919 -41.3919 -20.3494 -20.3494 -19.8535 -19.8535 -19.8296 -19.8296 -4.1464 -4.1464 -4.0291 -4.0291 3.6418 3.6418 3.7360 3.7360 4.2898 4.2898 4.5934 4.5934 4.9701 4.9701 5.1660 5.1660 5.5425 5.5425 6.1035 6.1035 6.3302 6.3302 7.4600 7.4600 7.7504 7.7504 9.3494 9.3494 10.4532 10.4532 10.8925 10.8925 11.3647 11.3647 k = 0.3404 0.1965 0.2916 ( 3590 PWs) bands (ev): -41.3917 -41.3917 -20.3500 -20.3500 -19.8545 -19.8545 -19.8299 -19.8299 -4.1247 -4.1247 -4.0156 -4.0156 3.6305 3.6305 3.7024 3.7024 4.2848 4.2848 4.5845 4.5845 4.9570 4.9570 5.1704 5.1704 5.5198 5.5198 6.0961 6.0961 6.3158 6.3158 7.4926 7.4926 7.7486 7.7486 9.3297 9.3297 10.4711 10.4711 10.9011 10.9011 11.3849 11.3849 k = 0.3511 0.2027 0.2916 ( 3596 PWs) bands (ev): -41.3916 -41.3916 -20.3507 -20.3507 -19.8555 -19.8555 -19.8302 -19.8302 -4.1037 -4.1037 -4.0026 -4.0026 3.6167 3.6167 3.6746 3.6746 4.2795 4.2795 4.5701 4.5701 4.9429 4.9429 5.1762 5.1762 5.5056 5.5056 6.0854 6.0854 6.3001 6.3001 7.5272 7.5272 7.7488 7.7488 9.3111 9.3111 10.4914 10.4914 10.9084 10.9084 11.4011 11.4011 k = 0.3617 0.2088 0.2916 ( 3598 PWs) bands (ev): -41.3915 -41.3915 -20.3513 -20.3513 -19.8564 -19.8564 -19.8304 -19.8304 -4.0836 -4.0836 -3.9901 -3.9901 3.5977 3.5977 3.6554 3.6554 4.2737 4.2737 4.5502 4.5502 4.9291 4.9291 5.1838 5.1838 5.4992 5.4992 6.0718 6.0718 6.2832 6.2832 7.5632 7.5632 7.7513 7.7513 9.2931 9.2931 10.5144 10.5144 10.9144 10.9144 11.4126 11.4126 k = 0.3723 0.2150 0.2916 ( 3602 PWs) bands (ev): -41.3914 -41.3914 -20.3518 -20.3518 -19.8574 -19.8574 -19.8306 -19.8306 -4.0644 -4.0644 -3.9783 -3.9783 3.5738 3.5738 3.6447 3.6447 4.2675 4.2675 4.5251 4.5251 4.9168 4.9168 5.1932 5.1932 5.4993 5.4993 6.0553 6.0553 6.2651 6.2651 7.5994 7.5994 7.7565 7.7565 9.2757 9.2757 10.5398 10.5398 10.9194 10.9194 11.4186 11.4186 k = 0.3830 0.2211 0.2916 ( 3610 PWs) bands (ev): -41.3913 -41.3913 -20.3524 -20.3524 -19.8582 -19.8582 -19.8308 -19.8308 -4.0463 -4.0463 -3.9671 -3.9671 3.5482 3.5482 3.6394 3.6394 4.2606 4.2606 4.4960 4.4960 4.9065 4.9065 5.2044 5.2044 5.5048 5.5048 6.0364 6.0364 6.2459 6.2459 7.6341 7.6341 7.7656 7.7656 9.2587 9.2587 10.5678 10.5678 10.9234 10.9234 11.4185 11.4185 k = 0.3936 0.2273 0.2916 ( 3608 PWs) bands (ev): -41.3912 -41.3912 -20.3529 -20.3529 -19.8590 -19.8590 -19.8309 -19.8309 -4.0294 -4.0294 -3.9567 -3.9567 3.5232 3.5232 3.6373 3.6373 4.2527 4.2527 4.4647 4.4647 4.8983 4.8983 5.2170 5.2170 5.5146 5.5146 6.0155 6.0155 6.2259 6.2259 7.6644 7.6644 7.7804 7.7804 9.2419 9.2419 10.5983 10.5983 10.9266 10.9266 11.4118 11.4118 k = 0.4043 0.2334 0.2916 ( 3608 PWs) bands (ev): -41.3911 -41.3911 -20.3533 -20.3533 -19.8598 -19.8598 -19.8310 -19.8310 -4.0138 -4.0138 -3.9471 -3.9471 3.4996 3.4996 3.6375 3.6375 4.2435 4.2435 4.4332 4.4332 4.8921 4.8921 5.2305 5.2305 5.5279 5.5279 5.9928 5.9928 6.2056 6.2056 7.6877 7.6877 7.8025 7.8025 9.2252 9.2252 10.6314 10.6314 10.9291 10.9291 11.3980 11.3980 k = 0.4149 0.2395 0.2916 ( 3604 PWs) bands (ev): -41.3910 -41.3910 -20.3537 -20.3537 -19.8605 -19.8605 -19.8311 -19.8311 -3.9995 -3.9995 -3.9384 -3.9384 3.4780 3.4780 3.6392 3.6392 4.2325 4.2325 4.4033 4.4033 4.8875 4.8875 5.2446 5.2446 5.5440 5.5440 5.9687 5.9687 6.1855 6.1855 7.7038 7.7038 7.8315 7.8315 9.2088 9.2088 10.6669 10.6669 10.9311 10.9311 11.3771 11.3771 k = 0.4255 0.2457 0.2916 ( 3602 PWs) bands (ev): -41.3909 -41.3909 -20.3541 -20.3541 -19.8611 -19.8611 -19.8312 -19.8312 -3.9867 -3.9867 -3.9306 -3.9306 3.4587 3.4587 3.6423 3.6423 4.2193 4.2193 4.3768 4.3768 4.8841 4.8841 5.2585 5.2585 5.5623 5.5623 5.9435 5.9435 6.1659 6.1659 7.7145 7.7145 7.8641 7.8641 9.1928 9.1928 10.7049 10.7049 10.9326 10.9326 11.3493 11.3493 k = 0.4362 0.2518 0.2916 ( 3602 PWs) bands (ev): -41.3908 -41.3908 -20.3544 -20.3544 -19.8616 -19.8616 -19.8313 -19.8313 -3.9754 -3.9754 -3.9237 -3.9237 3.4418 3.4418 3.6463 3.6463 4.2038 4.2038 4.3550 4.3550 4.8815 4.8815 5.2720 5.2720 5.5825 5.5825 5.9175 5.9175 6.1476 6.1476 7.7218 7.7218 7.8975 7.8975 9.1775 9.1775 10.7452 10.7452 10.9337 10.9337 11.3153 11.3153 k = 0.4468 0.2580 0.2916 ( 3606 PWs) bands (ev): -41.3908 -41.3908 -20.3547 -20.3547 -19.8621 -19.8621 -19.8314 -19.8314 -3.9658 -3.9658 -3.9178 -3.9178 3.4273 3.4273 3.6509 3.6509 4.1867 4.1867 4.3381 4.3381 4.8797 4.8797 5.2844 5.2844 5.6042 5.6042 5.8909 5.8909 6.1309 6.1309 7.7271 7.7271 7.9291 7.9291 9.1632 9.1632 10.7878 10.7878 10.9345 10.9345 11.2760 11.2760 k = 0.4574 0.2641 0.2916 ( 3602 PWs) bands (ev): -41.3907 -41.3907 -20.3549 -20.3549 -19.8625 -19.8625 -19.8314 -19.8314 -3.9578 -3.9578 -3.9129 -3.9129 3.4154 3.4154 3.6556 3.6556 4.1697 4.1697 4.3260 4.3260 4.8784 4.8784 5.2954 5.2954 5.6269 5.6269 5.8640 5.8640 6.1165 6.1165 7.7311 7.7311 7.9573 7.9573 9.1504 9.1504 10.8323 10.8323 10.9352 10.9352 11.2324 11.2324 k = 0.4681 0.2702 0.2916 ( 3602 PWs) bands (ev): -41.3907 -41.3907 -20.3551 -20.3551 -19.8628 -19.8628 -19.8314 -19.8314 -3.9515 -3.9515 -3.9091 -3.9091 3.4061 3.4061 3.6600 3.6600 4.1542 4.1542 4.3175 4.3175 4.8774 4.8774 5.3045 5.3045 5.6501 5.6501 5.8376 5.8376 6.1048 6.1048 7.7340 7.7340 7.9807 7.9807 9.1397 9.1397 10.8782 10.8782 10.9359 10.9359 11.1859 11.1859 k = 0.4787 0.2764 0.2916 ( 3602 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8630 -19.8630 -19.8315 -19.8315 -3.9470 -3.9470 -3.9064 -3.9064 3.3994 3.3994 3.6636 3.6636 4.1420 4.1420 4.3120 4.3120 4.8768 4.8768 5.3113 5.3113 5.6726 5.6726 5.8128 5.8128 6.0961 6.0961 7.7360 7.7360 7.9982 7.9982 9.1315 9.1315 10.9226 10.9226 10.9390 10.9390 11.1379 11.1379 k = 0.4894 0.2825 0.2916 ( 3602 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8631 -19.8631 -19.8315 -19.8315 -3.9443 -3.9443 -3.9047 -3.9047 3.3954 3.3954 3.6660 3.6660 4.1341 4.1341 4.3089 4.3089 4.8765 4.8765 5.3155 5.3155 5.6916 5.6916 5.7924 5.7924 6.0908 6.0908 7.7371 7.7371 8.0091 8.0091 9.1265 9.1265 10.9341 10.9341 10.9737 10.9737 11.0911 11.0911 k = 0.5000 0.2887 0.2916 ( 3604 PWs) bands (ev): -41.3907 -41.3907 -20.3554 -20.3554 -19.8632 -19.8632 -19.8315 -19.8315 -3.9434 -3.9434 -3.9042 -3.9042 3.3941 3.3941 3.6668 3.6668 4.1314 4.1314 4.3079 4.3079 4.8764 4.8764 5.3169 5.3169 5.7000 5.7000 5.7834 5.7834 6.0889 6.0889 7.7375 7.7375 8.0128 8.0128 9.1247 9.1247 10.9346 10.9346 11.0022 11.0022 11.0619 11.0619 k = 0.5000 0.2887 0.2916 ( 3604 PWs) bands (ev): -41.3907 -41.3907 -20.3554 -20.3554 -19.8632 -19.8632 -19.8315 -19.8315 -3.9434 -3.9434 -3.9042 -3.9042 3.3941 3.3941 3.6668 3.6668 4.1314 4.1314 4.3079 4.3079 4.8764 4.8764 5.3169 5.3169 5.7000 5.7000 5.7834 5.7834 6.0889 6.0889 7.7375 7.7375 8.0128 8.0128 9.1247 9.1247 10.9346 10.9346 11.0022 11.0022 11.0619 11.0619 k = 0.4940 0.2990 0.2916 ( 3608 PWs) bands (ev): -41.3907 -41.3907 -20.3554 -20.3554 -19.8631 -19.8631 -19.8315 -19.8315 -3.9431 -3.9431 -3.9040 -3.9040 3.3951 3.3951 3.6677 3.6677 4.1316 4.1316 4.3075 4.3075 4.8753 4.8753 5.3156 5.3156 5.7005 5.7005 5.7834 5.7834 6.0876 6.0876 7.7322 7.7322 8.0108 8.0108 9.1297 9.1297 10.9227 10.9227 11.0183 11.0183 11.0611 11.0611 k = 0.4881 0.3093 0.2916 ( 3604 PWs) bands (ev): -41.3907 -41.3907 -20.3554 -20.3554 -19.8631 -19.8631 -19.8316 -19.8316 -3.9423 -3.9423 -3.9036 -3.9036 3.3982 3.3982 3.6704 3.6704 4.1322 4.1322 4.3062 4.3062 4.8723 4.8723 5.3117 5.3117 5.7019 5.7019 5.7833 5.7833 6.0835 6.0835 7.7167 7.7167 8.0052 8.0052 9.1445 9.1445 10.9015 10.9015 11.0507 11.0507 11.0604 11.0604 k = 0.4821 0.3196 0.2916 ( 3608 PWs) bands (ev): -41.3906 -41.3906 -20.3554 -20.3554 -19.8630 -19.8630 -19.8318 -19.8318 -3.9411 -3.9411 -3.9028 -3.9028 3.4033 3.4033 3.6749 3.6749 4.1331 4.1331 4.3042 4.3042 4.8671 4.8671 5.3055 5.3055 5.7037 5.7037 5.7831 5.7831 6.0770 6.0770 7.6918 7.6918 7.9960 7.9960 9.1681 9.1681 10.8811 10.8811 11.0532 11.0532 11.0950 11.0950 k = 0.4762 0.3299 0.2916 ( 3608 PWs) bands (ev): -41.3906 -41.3906 -20.3555 -20.3555 -19.8629 -19.8629 -19.8321 -19.8321 -3.9393 -3.9393 -3.9018 -3.9018 3.4105 3.4105 3.6811 3.6811 4.1344 4.1344 4.3015 4.3015 4.8598 4.8598 5.2969 5.2969 5.7055 5.7055 5.7831 5.7831 6.0681 6.0681 7.6590 7.6590 7.9837 7.9837 9.1993 9.1993 10.8639 10.8639 11.0473 11.0473 11.1410 11.1410 k = 0.4702 0.3402 0.2916 ( 3604 PWs) bands (ev): -41.3906 -41.3906 -20.3555 -20.3555 -19.8628 -19.8628 -19.8323 -19.8323 -3.9370 -3.9370 -3.9004 -3.9004 3.4197 3.4197 3.6890 3.6890 4.1362 4.1362 4.2982 4.2982 4.8504 4.8504 5.2865 5.2865 5.7067 5.7067 5.7833 5.7833 6.0571 6.0571 7.6200 7.6200 7.9687 7.9687 9.2367 9.2367 10.8502 10.8502 11.0394 11.0394 11.1904 11.1904 k = 0.4643 0.3505 0.2916 ( 3606 PWs) bands (ev): -41.3906 -41.3906 -20.3555 -20.3555 -19.8626 -19.8626 -19.8327 -19.8327 -3.9343 -3.9343 -3.8988 -3.8988 3.4309 3.4309 3.6985 3.6985 4.1382 4.1382 4.2943 4.2943 4.8387 4.8387 5.2742 5.2742 5.7067 5.7067 5.7837 5.7837 6.0443 6.0443 7.5766 7.5766 7.9512 7.9512 9.2791 9.2791 10.8399 10.8399 11.0298 11.0298 11.2422 11.2422 k = 0.4583 0.3608 0.2916 ( 3606 PWs) bands (ev): -41.3906 -41.3906 -20.3556 -20.3556 -19.8624 -19.8624 -19.8332 -19.8332 -3.9312 -3.9312 -3.8970 -3.8970 3.4441 3.4441 3.7095 3.7095 4.1407 4.1407 4.2901 4.2901 4.8248 4.8248 5.2603 5.2603 5.7051 5.7051 5.7840 5.7840 6.0301 6.0301 7.5307 7.5307 7.9316 7.9316 9.3253 9.3253 10.8328 10.8328 11.0184 11.0184 11.2953 11.2953 k = 0.4524 0.3712 0.2916 ( 3604 PWs) bands (ev): -41.3906 -41.3906 -20.3557 -20.3557 -19.8622 -19.8622 -19.8336 -19.8336 -3.9277 -3.9277 -3.8949 -3.8949 3.4592 3.4592 3.7220 3.7220 4.1436 4.1436 4.2857 4.2857 4.8085 4.8085 5.2449 5.2449 5.7016 5.7016 5.7839 5.7839 6.0149 6.0149 7.4843 7.4843 7.9101 7.9101 9.3744 9.3744 10.8284 10.8284 11.0052 11.0052 11.3485 11.3485 k = 0.4464 0.3815 0.2916 ( 3592 PWs) bands (ev): -41.3905 -41.3905 -20.3557 -20.3557 -19.8619 -19.8619 -19.8342 -19.8342 -3.9238 -3.9238 -3.8926 -3.8926 3.4762 3.4762 3.7359 3.7359 4.1469 4.1469 4.2812 4.2812 4.7900 4.7900 5.2281 5.2281 5.6963 5.6963 5.7829 5.7829 5.9991 5.9991 7.4388 7.4388 7.8869 7.8869 9.4256 9.4256 10.8260 10.8260 10.9904 10.9904 11.4002 11.4002 k = 0.4405 0.3918 0.2916 ( 3596 PWs) bands (ev): -41.3905 -41.3905 -20.3558 -20.3558 -19.8616 -19.8616 -19.8348 -19.8348 -3.9195 -3.9195 -3.8901 -3.8901 3.4950 3.4950 3.7509 3.7509 4.1506 4.1506 4.2767 4.2767 4.7689 4.7689 5.2097 5.2097 5.6892 5.6892 5.7805 5.7805 5.9830 5.9830 7.3958 7.3958 7.8622 7.8622 9.4782 9.4782 10.8251 10.8251 10.9739 10.9739 11.4490 11.4490 k = 0.4345 0.4021 0.2916 ( 3600 PWs) bands (ev): -41.3905 -41.3905 -20.3559 -20.3559 -19.8613 -19.8613 -19.8354 -19.8354 -3.9150 -3.9150 -3.8874 -3.8874 3.5156 3.5156 3.7669 3.7669 4.1548 4.1548 4.2725 4.2725 4.7455 4.7455 5.1896 5.1896 5.6805 5.6805 5.7763 5.7763 5.9668 5.9668 7.3566 7.3566 7.8363 7.8363 9.5321 9.5321 10.8249 10.8249 10.9558 10.9558 11.4938 11.4938 k = 0.4286 0.4124 0.2916 ( 3600 PWs) bands (ev): -41.3905 -41.3905 -20.3560 -20.3560 -19.8610 -19.8610 -19.8361 -19.8361 -3.9103 -3.9103 -3.8846 -3.8846 3.5378 3.5378 3.7837 3.7837 4.1596 4.1596 4.2688 4.2688 4.7199 4.7199 5.1678 5.1678 5.6703 5.6703 5.7700 5.7700 5.9510 5.9510 7.3222 7.3222 7.8094 7.8094 9.5868 9.5868 10.8247 10.8247 10.9361 10.9361 11.5343 11.5343 k = 0.4226 0.4227 0.2916 ( 3596 PWs) bands (ev): -41.3904 -41.3904 -20.3560 -20.3560 -19.8606 -19.8606 -19.8368 -19.8368 -3.9053 -3.9053 -3.8816 -3.8816 3.5617 3.5617 3.8010 3.8010 4.1651 4.1651 4.2658 4.2658 4.6921 4.6921 5.1441 5.1441 5.6588 5.6588 5.7617 5.7617 5.9357 5.9357 7.2935 7.2935 7.7819 7.7819 9.6422 9.6422 10.8239 10.8239 10.9150 10.9150 11.5711 11.5711 k = 0.4167 0.4330 0.2916 ( 3596 PWs) bands (ev): -41.3904 -41.3904 -20.3561 -20.3561 -19.8603 -19.8603 -19.8375 -19.8375 -3.9002 -3.9002 -3.8785 -3.8785 3.5871 3.5871 3.8186 3.8186 4.1713 4.1713 4.2635 4.2635 4.6622 4.6622 5.1180 5.1180 5.6464 5.6464 5.7515 5.7515 5.9209 5.9209 7.2707 7.2707 7.7538 7.7538 9.6980 9.6980 10.8217 10.8217 10.8927 10.8927 11.6060 11.6060 k = 0.4107 0.4433 0.2916 ( 3604 PWs) bands (ev): -41.3904 -41.3904 -20.3563 -20.3563 -19.8599 -19.8599 -19.8382 -19.8382 -3.8950 -3.8950 -3.8754 -3.8754 3.6139 3.6139 3.8362 3.8362 4.1784 4.1784 4.2621 4.2621 4.6306 4.6306 5.0895 5.0895 5.6332 5.6332 5.7397 5.7397 5.9069 5.9069 7.2541 7.2541 7.7253 7.7253 9.7543 9.7543 10.8177 10.8177 10.8693 10.8693 11.6404 11.6404 k = 0.4048 0.4536 0.2916 ( 3596 PWs) bands (ev): -41.3903 -41.3903 -20.3563 -20.3563 -19.8595 -19.8595 -19.8390 -19.8390 -3.8898 -3.8898 -3.8723 -3.8723 3.6419 3.6419 3.8534 3.8534 4.1866 4.1866 4.2617 4.2617 4.5977 4.5977 5.0583 5.0583 5.6196 5.6196 5.7269 5.7269 5.8938 5.8938 7.2437 7.2437 7.6969 7.6969 9.8108 9.8108 10.8111 10.8111 10.8454 10.8454 11.6758 11.6758 k = 0.3988 0.4639 0.2916 ( 3600 PWs) bands (ev): -41.3903 -41.3903 -20.3565 -20.3565 -19.8592 -19.8592 -19.8397 -19.8397 -3.8847 -3.8847 -3.8692 -3.8692 3.6711 3.6711 3.8699 3.8699 4.1960 4.1960 4.2623 4.2623 4.5637 4.5637 5.0242 5.0242 5.6060 5.6060 5.7133 5.7133 5.8815 5.8815 7.2392 7.2392 7.6684 7.6684 9.8674 9.8674 10.7998 10.7998 10.8231 10.8231 11.7131 11.7131 k = 0.3929 0.4743 0.2916 ( 3596 PWs) bands (ev): -41.3903 -41.3903 -20.3566 -20.3566 -19.8588 -19.8588 -19.8405 -19.8405 -3.8797 -3.8797 -3.8661 -3.8661 3.7011 3.7011 3.8854 3.8854 4.2065 4.2065 4.2640 4.2640 4.5295 4.5295 4.9872 4.9872 5.5928 5.5928 5.6995 5.6995 5.8702 5.8702 7.2401 7.2401 7.6403 7.6403 9.9241 9.9241 10.7807 10.7807 10.8055 10.8055 11.7530 11.7530 k = 0.3869 0.4846 0.2916 ( 3592 PWs) bands (ev): -41.3902 -41.3902 -20.3566 -20.3566 -19.8584 -19.8584 -19.8412 -19.8412 -3.8748 -3.8748 -3.8630 -3.8630 3.7317 3.7317 3.8997 3.8997 4.2179 4.2179 4.2667 4.2667 4.4959 4.4959 4.9474 4.9474 5.5804 5.5804 5.6859 5.6859 5.8599 5.8599 7.2458 7.2458 7.6126 7.6126 9.9806 9.9806 10.7557 10.7557 10.7911 10.7911 11.7956 11.7956 k = 0.3810 0.4949 0.2916 ( 3596 PWs) bands (ev): -41.3902 -41.3902 -20.3567 -20.3567 -19.8580 -19.8580 -19.8419 -19.8419 -3.8702 -3.8702 -3.8601 -3.8601 3.7626 3.7626 3.9127 3.9127 4.2291 4.2291 4.2703 4.2703 4.4644 4.4644 4.9051 4.9051 5.5690 5.5690 5.6728 5.6728 5.8506 5.8506 7.2556 7.2556 7.5854 7.5854 10.0367 10.0367 10.7286 10.7286 10.7765 10.7765 11.8410 11.8410 k = 0.3750 0.5052 0.2916 ( 3592 PWs) bands (ev): -41.3902 -41.3902 -20.3568 -20.3568 -19.8576 -19.8576 -19.8425 -19.8425 -3.8660 -3.8660 -3.8573 -3.8573 3.7934 3.7934 3.9245 3.9245 4.2378 4.2378 4.2755 4.2755 4.4370 4.4370 4.8608 4.8608 5.5590 5.5590 5.6606 5.6606 5.8423 5.8423 7.2688 7.2688 7.5590 7.5590 10.0922 10.0922 10.7009 10.7009 10.7607 10.7607 11.8889 11.8889 k = 0.3690 0.5155 0.2916 ( 3592 PWs) bands (ev): -41.3902 -41.3902 -20.3569 -20.3569 -19.8573 -19.8573 -19.8431 -19.8431 -3.8622 -3.8622 -3.8547 -3.8547 3.8235 3.8235 3.9351 3.9351 4.2403 4.2403 4.2830 4.2830 4.4170 4.4170 4.8152 4.8152 5.5506 5.5506 5.6493 5.6493 5.8350 5.8350 7.2847 7.2847 7.5334 7.5334 10.1464 10.1464 10.6735 10.6735 10.7436 10.7436 11.9390 11.9390 k = 0.3631 0.5258 0.2916 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3570 -20.3570 -19.8570 -19.8570 -19.8436 -19.8436 -3.8589 -3.8589 -3.8522 -3.8522 3.8521 3.8521 3.9449 3.9449 4.2339 4.2339 4.2928 4.2928 4.4075 4.4075 4.7691 4.7691 5.5438 5.5438 5.6392 5.6392 5.8287 5.8287 7.3026 7.3026 7.5088 7.5088 10.1987 10.1987 10.6475 10.6475 10.7251 10.7251 11.9908 11.9908 k = 0.3571 0.5361 0.2916 ( 3590 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8568 -19.8568 -19.8441 -19.8441 -3.8561 -3.8561 -3.8500 -3.8500 3.8781 3.8781 3.9540 3.9540 4.2196 4.2196 4.3032 4.3032 4.4087 4.4087 4.7240 4.7240 5.5387 5.5387 5.6304 5.6304 5.8233 5.8233 7.3218 7.3218 7.4852 7.4852 10.2477 10.2477 10.6241 10.6241 10.7055 10.7055 12.0436 12.0436 k = 0.3512 0.5464 0.2916 ( 3590 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8566 -19.8566 -19.8444 -19.8444 -3.8540 -3.8540 -3.8481 -3.8481 3.9003 3.9003 3.9626 3.9626 4.2014 4.2014 4.3136 4.3136 4.4174 4.4174 4.6819 4.6819 5.5351 5.5351 5.6232 5.6232 5.8191 5.8191 7.3415 7.3415 7.4629 7.4629 10.2914 10.2914 10.6057 10.6057 10.6848 10.6848 12.0965 12.0965 k = 0.3452 0.5567 0.2916 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8564 -19.8564 -19.8447 -19.8447 -3.8524 -3.8524 -3.8467 -3.8467 3.9175 3.9175 3.9700 3.9700 4.1842 4.1842 4.3232 4.3232 4.4287 4.4287 4.6458 4.6458 5.5330 5.5330 5.6177 5.6177 5.8160 5.8160 7.3612 7.3612 7.4421 7.4421 10.3262 10.3262 10.5955 10.5955 10.6632 10.6632 12.1484 12.1484 k = 0.3393 0.5670 0.2916 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8564 -19.8564 -19.8449 -19.8449 -3.8515 -3.8515 -3.8457 -3.8457 3.9287 3.9287 3.9745 3.9745 4.1721 4.1721 4.3311 4.3311 4.4370 4.4370 4.6209 4.6209 5.5319 5.5319 5.6142 5.6142 5.8140 5.8140 7.3793 7.3793 7.4236 7.4236 10.3482 10.3482 10.5975 10.5975 10.6411 10.6411 12.1973 12.1973 k = 0.3333 0.5774 0.2916 ( 3576 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8563 -19.8563 -19.8449 -19.8449 -3.8511 -3.8511 -3.8454 -3.8454 3.9330 3.9330 3.9757 3.9757 4.1679 4.1679 4.3347 4.3347 4.4394 4.4394 4.6121 4.6121 5.5317 5.5317 5.6130 5.6130 5.8133 5.8133 7.3897 7.3897 7.4132 7.4132 10.3551 10.3551 10.6083 10.6083 10.6239 10.6239 12.2390 12.2390 k = 0.3333 0.5774 0.2916 ( 3576 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8563 -19.8563 -19.8449 -19.8449 -3.8511 -3.8511 -3.8454 -3.8454 3.9330 3.9330 3.9757 3.9757 4.1679 4.1679 4.3347 4.3347 4.4394 4.4394 4.6121 4.6121 5.5317 5.5317 5.6130 5.6130 5.8133 5.8133 7.3897 7.3897 7.4132 7.4132 10.3551 10.3551 10.6083 10.6083 10.6239 10.6239 12.2390 12.2390 k = 0.3273 0.5669 0.2916 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8563 -19.8563 -19.8449 -19.8449 -3.8515 -3.8515 -3.8458 -3.8458 3.9279 3.9279 3.9758 3.9758 4.1716 4.1716 4.3295 4.3295 4.4397 4.4397 4.6200 4.6200 5.5318 5.5318 5.6143 5.6143 5.8141 5.8141 7.3802 7.3802 7.4225 7.4225 10.3495 10.3495 10.5902 10.5902 10.6470 10.6470 12.2003 12.2003 k = 0.3212 0.5564 0.2916 ( 3592 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8564 -19.8564 -19.8447 -19.8447 -3.8526 -3.8526 -3.8468 -3.8468 3.9134 3.9134 3.9775 3.9775 4.1801 4.1801 4.3141 4.3141 4.4453 4.4453 4.6398 4.6398 5.5319 5.5319 5.6187 5.6187 5.8165 5.8165 7.3655 7.3655 7.4365 7.4365 10.3360 10.3360 10.5652 10.5652 10.6837 10.6837 12.1592 12.1592 k = 0.3152 0.5459 0.2916 ( 3596 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8565 -19.8565 -19.8445 -19.8445 -3.8545 -3.8545 -3.8486 -3.8486 3.8930 3.8930 3.9799 3.9799 4.1889 4.1889 4.2939 4.2939 4.4578 4.4578 4.6662 4.6662 5.5318 5.5318 5.6263 5.6263 5.8208 5.8208 7.3514 7.3514 7.4489 7.4489 10.3186 10.3186 10.5390 10.5390 10.7240 10.7240 12.1176 12.1176 k = 0.3091 0.5354 0.2916 ( 3596 PWs) bands (ev): -41.3901 -41.3901 -20.3570 -20.3570 -19.8566 -19.8566 -19.8442 -19.8442 -3.8575 -3.8575 -3.8511 -3.8511 3.8702 3.8702 3.9813 3.9813 4.1923 4.1923 4.2784 4.2784 4.4750 4.4750 4.6963 4.6963 5.5311 5.5311 5.6370 5.6370 5.8274 5.8274 7.3387 7.3387 7.4587 7.4587 10.3000 10.3000 10.5118 10.5118 10.7651 10.7651 12.0760 12.0760 k = 0.3030 0.5249 0.2916 ( 3596 PWs) bands (ev): -41.3902 -41.3902 -20.3569 -20.3569 -19.8567 -19.8567 -19.8438 -19.8438 -3.8615 -3.8615 -3.8541 -3.8541 3.8468 3.8468 3.9800 3.9800 4.1863 4.1863 4.2748 4.2748 4.4950 4.4950 4.7283 4.7283 5.5300 5.5300 5.6507 5.6507 5.8364 5.8364 7.3275 7.3275 7.4654 7.4654 10.2815 10.2815 10.4838 10.4838 10.8052 10.8052 12.0351 12.0351 k = 0.2970 0.5144 0.2916 ( 3596 PWs) bands (ev): -41.3902 -41.3902 -20.3568 -20.3568 -19.8568 -19.8568 -19.8434 -19.8434 -3.8668 -3.8668 -3.8577 -3.8577 3.8240 3.8240 3.9745 3.9745 4.1750 4.1750 4.2815 4.2815 4.5163 4.5163 4.7615 4.7615 5.5281 5.5281 5.6673 5.6673 5.8482 5.8482 7.3178 7.3178 7.4685 7.4685 10.2641 10.2641 10.4550 10.4550 10.8432 10.8432 11.9952 11.9952 k = 0.2909 0.5039 0.2916 ( 3598 PWs) bands (ev): -41.3902 -41.3902 -20.3566 -20.3566 -19.8569 -19.8569 -19.8429 -19.8429 -3.8732 -3.8732 -3.8619 -3.8619 3.8026 3.8026 3.9637 3.9637 4.1658 4.1658 4.2931 4.2931 4.5382 4.5382 4.7952 4.7952 5.5256 5.5256 5.6865 5.6865 5.8632 5.8632 7.3098 7.3098 7.4679 7.4679 10.2483 10.2483 10.4254 10.4254 10.8783 10.8783 11.9569 11.9569 k = 0.2848 0.4934 0.2916 ( 3598 PWs) bands (ev): -41.3903 -41.3903 -20.3564 -20.3564 -19.8569 -19.8569 -19.8425 -19.8425 -3.8809 -3.8809 -3.8668 -3.8668 3.7830 3.7830 3.9476 3.9476 4.1620 4.1620 4.3064 4.3064 4.5598 4.5598 4.8292 4.8292 5.5222 5.5222 5.7079 5.7079 5.8816 5.8816 7.3034 7.3034 7.4633 7.4633 10.2344 10.2344 10.3949 10.3949 10.9099 10.9099 11.9206 11.9206 k = 0.2788 0.4829 0.2916 ( 3594 PWs) bands (ev): -41.3903 -41.3903 -20.3562 -20.3562 -19.8569 -19.8569 -19.8419 -19.8419 -3.8898 -3.8898 -3.8723 -3.8723 3.7656 3.7656 3.9274 3.9274 4.1640 4.1640 4.3205 4.3205 4.5808 4.5808 4.8634 4.8634 5.5181 5.5181 5.7313 5.7313 5.9039 5.9039 7.2986 7.2986 7.4547 7.4547 10.2225 10.2225 10.3637 10.3637 10.9375 10.9375 11.8866 11.8866 k = 0.2727 0.4724 0.2916 ( 3590 PWs) bands (ev): -41.3904 -41.3904 -20.3559 -20.3559 -19.8568 -19.8568 -19.8414 -19.8414 -3.8999 -3.8999 -3.8785 -3.8785 3.7506 3.7506 3.9050 3.9050 4.1706 4.1706 4.3349 4.3349 4.6005 4.6005 4.8978 4.8978 5.5129 5.5129 5.7562 5.7562 5.9302 5.9302 7.2954 7.2954 7.4421 7.4421 10.2127 10.2127 10.3319 10.3319 10.9609 10.9609 11.8546 11.8546 k = 0.2667 0.4619 0.2916 ( 3594 PWs) bands (ev): -41.3904 -41.3904 -20.3557 -20.3557 -19.8567 -19.8567 -19.8408 -19.8408 -3.9112 -3.9112 -3.8853 -3.8853 3.7381 3.7381 3.8817 3.8817 4.1805 4.1805 4.3494 4.3494 4.6188 4.6188 4.9323 4.9323 5.5069 5.5069 5.7819 5.7819 5.9608 5.9608 7.2938 7.2938 7.4255 7.4255 10.2049 10.2049 10.2996 10.2996 10.9799 10.9799 11.8209 11.8209 k = 0.2606 0.4514 0.2916 ( 3590 PWs) bands (ev): -41.3905 -41.3905 -20.3553 -20.3553 -19.8565 -19.8565 -19.8403 -19.8403 -3.9237 -3.9237 -3.8929 -3.8929 3.7282 3.7282 3.8589 3.8589 4.1927 4.1927 4.3641 4.3641 4.6354 4.6354 4.9671 4.9671 5.5001 5.5001 5.8079 5.8079 5.9959 5.9959 7.2936 7.2936 7.4052 7.4052 10.1988 10.1988 10.2670 10.2670 10.9948 10.9948 11.7730 11.7730 k = 0.2545 0.4409 0.2916 ( 3590 PWs) bands (ev): -41.3906 -41.3906 -20.3550 -20.3550 -19.8563 -19.8563 -19.8397 -19.8397 -3.9373 -3.9373 -3.9012 -3.9012 3.7210 3.7210 3.8373 3.8373 4.2061 4.2061 4.3790 4.3790 4.6505 4.6505 5.0023 5.0023 5.4925 5.4925 5.8337 5.8337 6.0356 6.0356 7.2947 7.2947 7.3814 7.3814 10.1938 10.1938 10.2346 10.2346 11.0057 11.0057 11.7180 11.7180 k = 0.2485 0.4304 0.2916 ( 3590 PWs) bands (ev): -41.3907 -41.3907 -20.3546 -20.3546 -19.8560 -19.8560 -19.8391 -19.8391 -3.9521 -3.9521 -3.9101 -3.9101 3.7164 3.7164 3.8176 3.8176 4.2201 4.2201 4.3944 4.3944 4.6638 4.6638 5.0380 5.0380 5.4844 5.4844 5.8588 5.8588 6.0796 6.0796 7.2967 7.2967 7.3548 7.3548 10.1867 10.1867 10.2058 10.2058 11.0132 11.0132 11.6639 11.6639 k = 0.2424 0.4199 0.2916 ( 3590 PWs) bands (ev): -41.3908 -41.3908 -20.3542 -20.3542 -19.8557 -19.8557 -19.8385 -19.8385 -3.9680 -3.9680 -3.9198 -3.9198 3.7143 3.7143 3.8002 3.8002 4.2342 4.2342 4.4101 4.4101 4.6758 4.6758 5.0741 5.0741 5.4761 5.4761 5.8827 5.8827 6.1279 6.1279 7.2978 7.2978 7.3275 7.3275 10.1636 10.1636 10.1942 10.1942 11.0179 11.0179 11.6120 11.6120 k = 0.2364 0.4094 0.2916 ( 3582 PWs) bands (ev): -41.3909 -41.3909 -20.3537 -20.3537 -19.8553 -19.8553 -19.8379 -19.8379 -3.9848 -3.9848 -3.9300 -3.9300 3.7143 3.7143 3.7857 3.7857 4.2479 4.2479 4.4262 4.4262 4.6864 4.6864 5.1107 5.1107 5.4681 5.4681 5.9051 5.9051 6.1799 6.1799 7.2840 7.2840 7.3137 7.3137 10.1329 10.1329 10.1916 10.1916 11.0205 11.0205 11.5623 11.5623 k = 0.2303 0.3989 0.2916 ( 3578 PWs) bands (ev): -41.3910 -41.3910 -20.3532 -20.3532 -19.8548 -19.8548 -19.8373 -19.8373 -4.0027 -4.0027 -3.9409 -3.9409 3.7155 3.7155 3.7750 3.7750 4.2607 4.2607 4.4427 4.4427 4.6960 4.6960 5.1473 5.1473 5.4609 5.4609 5.9256 5.9256 6.2353 6.2353 7.2524 7.2524 7.3166 7.3166 10.1022 10.1022 10.1903 10.1903 11.0216 11.0216 11.5149 11.5149 k = 0.2242 0.3884 0.2916 ( 3582 PWs) bands (ev): -41.3911 -41.3911 -20.3527 -20.3527 -19.8543 -19.8543 -19.8367 -19.8367 -4.0215 -4.0215 -3.9524 -3.9524 3.7167 3.7167 3.7696 3.7696 4.2724 4.2724 4.4593 4.4593 4.7049 4.7049 5.1831 5.1831 5.4559 5.4559 5.9438 5.9438 6.2936 6.2936 7.2169 7.2169 7.3226 7.3226 10.0725 10.0725 10.1893 10.1893 11.0219 11.0219 11.4696 11.4696 k = 0.2182 0.3779 0.2916 ( 3578 PWs) bands (ev): -41.3912 -41.3912 -20.3521 -20.3521 -19.8538 -19.8538 -19.8360 -19.8360 -4.0412 -4.0412 -3.9645 -3.9645 3.7163 3.7163 3.7709 3.7709 4.2829 4.2829 4.4758 4.4758 4.7135 4.7135 5.2167 5.2167 5.4547 5.4547 5.9594 5.9594 6.3544 6.3544 7.1799 7.1799 7.3299 7.3299 10.0446 10.0446 10.1882 10.1882 11.0219 11.0219 11.4260 11.4260 k = 0.2121 0.3674 0.2916 ( 3574 PWs) bands (ev): -41.3913 -41.3913 -20.3516 -20.3516 -19.8532 -19.8532 -19.8354 -19.8354 -4.0617 -4.0617 -3.9770 -3.9770 3.7144 3.7144 3.7790 3.7790 4.2919 4.2919 4.4920 4.4920 4.7221 4.7221 5.2456 5.2456 5.4603 5.4603 5.9722 5.9722 6.4172 6.4172 7.1424 7.1424 7.3377 7.3377 10.0187 10.0187 10.1866 10.1866 11.0219 11.0219 11.3840 11.3840 k = 0.2061 0.3569 0.2916 ( 3582 PWs) bands (ev): -41.3915 -41.3915 -20.3510 -20.3510 -19.8526 -19.8526 -19.8347 -19.8347 -4.0828 -4.0828 -3.9901 -3.9901 3.7120 3.7120 3.7923 3.7923 4.2995 4.2995 4.5073 4.5073 4.7310 4.7310 5.2665 5.2665 5.4759 5.4759 5.9816 5.9816 6.4815 6.4815 7.1051 7.1051 7.3459 7.3459 9.9955 9.9955 10.1844 10.1844 11.0222 11.0222 11.3434 11.3434 k = 0.2000 0.3464 0.2916 ( 3578 PWs) bands (ev): -41.3916 -41.3916 -20.3504 -20.3504 -19.8519 -19.8519 -19.8341 -19.8341 -4.1047 -4.1047 -4.0036 -4.0036 3.7103 3.7103 3.8099 3.8099 4.3057 4.3057 4.5214 4.5214 4.7406 4.7406 5.2780 5.2780 5.5034 5.5034 5.9876 5.9876 6.5468 6.5468 7.0688 7.0688 7.3543 7.3543 9.9753 9.9753 10.1815 10.1815 11.0227 11.0227 11.3037 11.3037 k = 0.1939 0.3359 0.2916 ( 3582 PWs) bands (ev): -41.3917 -41.3917 -20.3498 -20.3498 -19.8512 -19.8512 -19.8334 -19.8334 -4.1271 -4.1271 -4.0174 -4.0174 3.7100 3.7100 3.8308 3.8308 4.3106 4.3106 4.5340 4.5340 4.7512 4.7512 5.2808 5.2808 5.5417 5.5417 5.9899 5.9899 6.6125 6.6125 7.0341 7.0341 7.3627 7.3627 9.9584 9.9584 10.1779 10.1779 11.0232 11.0232 11.2650 11.2650 k = 0.1879 0.3254 0.2916 ( 3590 PWs) bands (ev): -41.3919 -41.3919 -20.3491 -20.3491 -19.8506 -19.8506 -19.8327 -19.8327 -4.1499 -4.1499 -4.0316 -4.0316 3.7113 3.7113 3.8546 3.8546 4.3142 4.3142 4.5449 4.5449 4.7628 4.7628 5.2778 5.2778 5.5880 5.5880 5.9886 5.9886 6.6777 6.6777 7.0020 7.0020 7.3712 7.3712 9.9454 9.9454 10.1736 10.1736 11.0234 11.0234 11.2270 11.2270 k = 0.1818 0.3149 0.2916 ( 3594 PWs) bands (ev): -41.3920 -41.3920 -20.3485 -20.3485 -19.8499 -19.8499 -19.8320 -19.8320 -4.1732 -4.1732 -4.0461 -4.0461 3.7144 3.7144 3.8810 3.8810 4.3166 4.3166 4.5540 4.5540 4.7755 4.7755 5.2712 5.2712 5.6395 5.6395 5.9841 5.9841 6.7410 6.7410 6.9739 6.9739 7.3798 7.3798 9.9364 9.9364 10.1686 10.1686 11.0229 11.0229 11.1897 11.1897 k = 0.1758 0.3044 0.2916 ( 3592 PWs) bands (ev): -41.3922 -41.3922 -20.3478 -20.3478 -19.8492 -19.8492 -19.8312 -19.8312 -4.1967 -4.1967 -4.0608 -4.0608 3.7192 3.7192 3.9095 3.9095 4.3182 4.3182 4.5615 4.5615 4.7893 4.7893 5.2626 5.2626 5.6930 5.6930 5.9776 5.9776 6.7998 6.7998 6.9522 6.9522 7.3887 7.3887 9.9318 9.9318 10.1631 10.1631 11.0210 11.0210 11.1530 11.1530 k = 0.1697 0.2939 0.2916 ( 3588 PWs) bands (ev): -41.3923 -41.3923 -20.3471 -20.3471 -19.8484 -19.8484 -19.8304 -19.8304 -4.2205 -4.2205 -4.0757 -4.0757 3.7259 3.7259 3.9399 3.9399 4.3190 4.3190 4.5675 4.5675 4.8040 4.8040 5.2531 5.2531 5.7446 5.7446 5.9719 5.9719 6.8456 6.8456 6.9449 6.9449 7.3987 7.3987 9.9317 9.9317 10.1572 10.1572 11.0172 11.0172 11.1172 11.1172 k = 0.1636 0.2834 0.2916 ( 3588 PWs) bands (ev): -41.3925 -41.3925 -20.3464 -20.3464 -19.8477 -19.8477 -19.8295 -19.8295 -4.2444 -4.2444 -4.0907 -4.0907 3.7343 3.7343 3.9716 3.9716 4.3193 4.3193 4.5722 4.5722 4.8194 4.8194 5.2432 5.2432 5.7861 5.7861 5.9740 5.9740 6.8629 6.8629 6.9664 6.9664 7.4106 7.4106 9.9363 9.9363 10.1510 10.1510 11.0105 11.0105 11.0826 11.0826 k = 0.1576 0.2729 0.2916 ( 3594 PWs) bands (ev): -41.3926 -41.3926 -20.3457 -20.3457 -19.8471 -19.8471 -19.8287 -19.8287 -4.2683 -4.2683 -4.1058 -4.1058 3.7444 3.7444 4.0041 4.0041 4.3193 4.3193 4.5761 4.5761 4.8352 4.8352 5.2334 5.2334 5.8059 5.8059 5.9949 5.9949 6.8606 6.8606 7.0066 7.0066 7.4261 7.4261 9.9456 9.9456 10.1445 10.1445 10.9998 10.9998 11.0503 11.0503 k = 0.1515 0.2624 0.2916 ( 3600 PWs) bands (ev): -41.3928 -41.3928 -20.3450 -20.3450 -19.8464 -19.8464 -19.8278 -19.8278 -4.2922 -4.2922 -4.1208 -4.1208 3.7562 3.7562 4.0368 4.0368 4.3196 4.3196 4.5797 4.5797 4.8513 4.8513 5.2240 5.2240 5.8006 5.8006 6.0372 6.0372 6.8563 6.8563 7.0464 7.0464 7.4473 7.4473 9.9594 9.9594 10.1379 10.1379 10.9831 10.9831 11.0221 11.0221 k = 0.1455 0.2519 0.2916 ( 3600 PWs) bands (ev): -41.3929 -41.3929 -20.3443 -20.3443 -19.8458 -19.8458 -19.8269 -19.8269 -4.3159 -4.3159 -4.1358 -4.1358 3.7696 3.7696 4.0687 4.0687 4.3206 4.3206 4.5833 4.5833 4.8674 4.8674 5.2152 5.2152 5.7785 5.7785 6.0914 6.0914 6.8562 6.8562 7.0781 7.0781 7.4761 7.4761 9.9775 9.9775 10.1313 10.1313 10.9596 10.9596 10.9991 10.9991 k = 0.1394 0.2414 0.2916 ( 3606 PWs) bands (ev): -41.3931 -41.3931 -20.3436 -20.3436 -19.8452 -19.8452 -19.8259 -19.8259 -4.3393 -4.3393 -4.1507 -4.1507 3.7846 3.7846 4.0985 4.0985 4.3232 4.3232 4.5877 4.5877 4.8834 4.8834 5.2072 5.2072 5.7471 5.7471 6.1488 6.1488 6.8630 6.8630 7.0989 7.0989 7.5137 7.5137 9.9994 9.9994 10.1247 10.1247 10.9326 10.9326 10.9784 10.9784 k = 0.1333 0.2309 0.2916 ( 3602 PWs) bands (ev): -41.3932 -41.3932 -20.3429 -20.3429 -19.8447 -19.8447 -19.8249 -19.8249 -4.3625 -4.3625 -4.1654 -4.1654 3.8012 3.8012 4.1248 4.1248 4.3281 4.3281 4.5936 4.5936 4.8993 4.8993 5.2002 5.2002 5.7099 5.7099 6.2041 6.2041 6.8789 6.8789 7.1087 7.1087 7.5599 7.5599 10.0243 10.0243 10.1182 10.1182 10.9056 10.9056 10.9571 10.9571 k = 0.1273 0.2204 0.2916 ( 3598 PWs) bands (ev): -41.3934 -41.3934 -20.3422 -20.3422 -19.8442 -19.8442 -19.8239 -19.8239 -4.3852 -4.3852 -4.1799 -4.1799 3.8191 3.8191 4.1460 4.1460 4.3361 4.3361 4.6017 4.6017 4.9148 4.9148 5.1943 5.1943 5.6690 5.6690 6.2538 6.2538 6.9054 6.9054 7.1087 7.1087 7.6131 7.6131 10.0513 10.0513 10.1119 10.1119 10.8809 10.8809 10.9341 10.9341 k = 0.1212 0.2099 0.2916 ( 3598 PWs) bands (ev): -41.3935 -41.3935 -20.3416 -20.3416 -19.8437 -19.8437 -19.8228 -19.8228 -4.4075 -4.4075 -4.1941 -4.1941 3.8384 3.8384 4.1611 4.1611 4.3470 4.3470 4.6131 4.6131 4.9299 4.9299 5.1896 5.1896 5.6254 5.6254 6.2954 6.2954 6.9430 6.9430 7.1016 7.1016 7.6715 7.6715 10.0786 10.0786 10.1064 10.1064 10.8596 10.8596 10.9095 10.9095 k = 0.1152 0.1994 0.2916 ( 3598 PWs) bands (ev): -41.3937 -41.3937 -20.3409 -20.3409 -19.8432 -19.8432 -19.8218 -19.8218 -4.4292 -4.4292 -4.2080 -4.2080 3.8591 3.8591 4.1703 4.1703 4.3598 4.3598 4.6287 4.6287 4.9445 4.9445 5.1863 5.1863 5.5800 5.5800 6.3278 6.3278 6.9882 6.9882 7.0929 7.0929 7.7334 7.7334 10.0954 10.0954 10.1108 10.1108 10.8419 10.8419 10.8848 10.8848 k = 0.1091 0.1890 0.2916 ( 3600 PWs) bands (ev): -41.3938 -41.3938 -20.3403 -20.3403 -19.8428 -19.8428 -19.8207 -19.8207 -4.4502 -4.4502 -4.2214 -4.2214 3.8809 3.8809 4.1745 4.1745 4.3727 4.3727 4.6491 4.6491 4.9585 4.9585 5.1845 5.1845 5.5336 5.5336 6.3510 6.3510 7.0190 7.0190 7.1051 7.1051 7.7974 7.7974 10.0915 10.0915 10.1334 10.1334 10.8238 10.8238 10.8660 10.8660 k = 0.1030 0.1785 0.2916 ( 3600 PWs) bands (ev): -41.3940 -41.3940 -20.3397 -20.3397 -19.8425 -19.8425 -19.8196 -19.8196 -4.4705 -4.4705 -4.2345 -4.2345 3.9039 3.9039 4.1751 4.1751 4.3840 4.3840 4.6742 4.6742 4.9718 4.9718 5.1846 5.1846 5.4867 5.4867 6.3662 6.3662 7.0095 7.0095 7.1635 7.1635 7.8624 7.8624 10.0860 10.0860 10.1533 10.1533 10.7975 10.7975 10.8625 10.8625 k = 0.0970 0.1680 0.2916 ( 3602 PWs) bands (ev): -41.3941 -41.3941 -20.3391 -20.3391 -19.8421 -19.8421 -19.8186 -19.8186 -4.4901 -4.4901 -4.2470 -4.2470 3.9278 3.9278 4.1732 4.1732 4.3929 4.3929 4.7034 4.7034 4.9843 4.9843 5.1866 5.1866 5.4400 5.4400 6.3749 6.3749 6.9824 6.9824 7.2441 7.2441 7.9279 7.9279 10.0803 10.0803 10.1673 10.1673 10.7637 10.7637 10.8755 10.8755 k = 0.0909 0.1575 0.2916 ( 3598 PWs) bands (ev): -41.3942 -41.3942 -20.3385 -20.3385 -19.8418 -19.8418 -19.8175 -19.8175 -4.5088 -4.5088 -4.2591 -4.2591 3.9526 3.9526 4.1699 4.1699 4.3994 4.3994 4.7351 4.7351 4.9959 4.9959 5.1910 5.1910 5.3946 5.3946 6.3788 6.3788 6.9486 6.9486 7.3346 7.3346 7.9930 7.9930 10.0749 10.0749 10.1743 10.1743 10.7253 10.7253 10.9029 10.9029 k = 0.0848 0.1470 0.2916 ( 3586 PWs) bands (ev): -41.3944 -41.3944 -20.3379 -20.3379 -19.8415 -19.8415 -19.8165 -19.8165 -4.5266 -4.5266 -4.2705 -4.2705 3.9780 3.9780 4.1658 4.1658 4.4037 4.4037 4.7675 4.7675 5.0066 5.0066 5.1974 5.1974 5.3518 5.3518 6.3789 6.3789 6.9106 6.9106 7.4313 7.4313 8.0574 8.0574 10.0695 10.0695 10.1741 10.1741 10.6835 10.6835 10.9433 10.9433 k = 0.0788 0.1365 0.2916 ( 3582 PWs) bands (ev): -41.3945 -41.3945 -20.3374 -20.3374 -19.8413 -19.8413 -19.8155 -19.8155 -4.5434 -4.5434 -4.2814 -4.2814 4.0036 4.0036 4.1616 4.1616 4.4063 4.4063 4.7983 4.7983 5.0161 5.0161 5.2041 5.2041 5.3149 5.3149 6.3763 6.3763 6.8696 6.8696 7.5320 7.5320 8.1207 8.1207 10.0643 10.0643 10.1675 10.1675 10.6387 10.6387 10.9955 10.9955 k = 0.0727 0.1260 0.2916 ( 3586 PWs) bands (ev): -41.3946 -41.3946 -20.3369 -20.3369 -19.8410 -19.8410 -19.8145 -19.8145 -4.5592 -4.5592 -4.2916 -4.2916 4.0289 4.0289 4.1583 4.1583 4.4077 4.4077 4.8250 4.8250 5.0245 5.0245 5.2043 5.2043 5.2922 5.2922 6.3716 6.3716 6.8261 6.8261 7.6351 7.6351 8.1824 8.1824 10.0593 10.0593 10.1558 10.1558 10.5912 10.5912 11.0580 11.0580 k = 0.0667 0.1155 0.2916 ( 3590 PWs) bands (ev): -41.3947 -41.3947 -20.3365 -20.3365 -19.8408 -19.8408 -19.8136 -19.8136 -4.5739 -4.5739 -4.3011 -4.3011 4.0525 4.0525 4.1571 4.1571 4.4085 4.4085 4.8454 4.8454 5.0319 5.0319 5.1890 5.1890 5.2944 5.2944 6.3655 6.3655 6.7808 6.7808 7.7392 7.7392 8.2422 8.2422 10.0545 10.0545 10.1404 10.1404 10.5413 10.5413 11.1290 11.1290 k = 0.0606 0.1050 0.2916 ( 3586 PWs) bands (ev): -41.3948 -41.3948 -20.3361 -20.3361 -19.8407 -19.8407 -19.8128 -19.8128 -4.5875 -4.5875 -4.3099 -4.3099 4.0724 4.0724 4.1601 4.1601 4.4091 4.4091 4.8571 4.8571 5.0387 5.0387 5.1648 5.1648 5.3162 5.3162 6.3583 6.3583 6.7344 6.7344 7.8430 7.8430 8.3000 8.3000 10.0498 10.0498 10.1226 10.1226 10.4891 10.4891 11.2071 11.2071 k = 0.0545 0.0945 0.2916 ( 3598 PWs) bands (ev): -41.3949 -41.3949 -20.3357 -20.3357 -19.8405 -19.8405 -19.8120 -19.8120 -4.6000 -4.6000 -4.3180 -4.3180 4.0858 4.0858 4.1700 4.1700 4.4097 4.4097 4.8585 4.8585 5.0451 5.0451 5.1416 5.1416 5.3485 5.3485 6.3500 6.3500 6.6874 6.6874 7.9449 7.9449 8.3555 8.3555 10.0452 10.0452 10.1034 10.1034 10.4351 10.4351 11.2910 11.2910 k = 0.0485 0.0840 0.2916 ( 3598 PWs) bands (ev): -41.3950 -41.3950 -20.3354 -20.3354 -19.8404 -19.8404 -19.8113 -19.8113 -4.6112 -4.6112 -4.3253 -4.3253 4.0920 4.0920 4.1873 4.1873 4.4109 4.4109 4.8495 4.8495 5.0515 5.0515 5.1231 5.1231 5.3871 5.3871 6.3409 6.3409 6.6408 6.6408 8.0435 8.0435 8.4086 8.4086 10.0406 10.0406 10.0839 10.0839 10.3801 10.3801 11.3793 11.3793 k = 0.0424 0.0735 0.2916 ( 3592 PWs) bands (ev): -41.3950 -41.3950 -20.3351 -20.3351 -19.8403 -19.8403 -19.8106 -19.8106 -4.6212 -4.6212 -4.3318 -4.3318 4.0934 4.0934 4.2092 4.2092 4.4132 4.4132 4.8314 4.8314 5.0578 5.0578 5.1099 5.1099 5.4296 5.4296 6.3307 6.3307 6.5955 6.5955 8.1368 8.1368 8.4594 8.4594 10.0359 10.0359 10.0650 10.0650 10.3249 10.3249 11.4708 11.4708 k = 0.0364 0.0630 0.2916 ( 3594 PWs) bands (ev): -41.3951 -41.3951 -20.3348 -20.3348 -19.8402 -19.8402 -19.8101 -19.8101 -4.6299 -4.6299 -4.3374 -4.3374 4.0924 4.0924 4.2325 4.2325 4.4169 4.4169 4.8065 4.8065 5.0636 5.0636 5.1010 5.1010 5.4738 5.4738 6.3191 6.3191 6.5530 6.5530 8.2224 8.2224 8.5080 8.5080 10.0308 10.0308 10.0472 10.0472 10.2709 10.2709 11.5642 11.5642 k = 0.0303 0.0525 0.2916 ( 3594 PWs) bands (ev): -41.3951 -41.3951 -20.3346 -20.3346 -19.8401 -19.8401 -19.8096 -19.8096 -4.6373 -4.6373 -4.3422 -4.3422 4.0905 4.0905 4.2550 4.2550 4.4228 4.4228 4.7777 4.7777 5.0688 5.0688 5.0954 5.0954 5.5179 5.5179 6.3059 6.3059 6.5147 6.5147 8.2977 8.2977 8.5545 8.5545 10.0245 10.0245 10.0316 10.0316 10.2201 10.2201 11.6577 11.6577 k = 0.0242 0.0420 0.2916 ( 3598 PWs) bands (ev): -41.3952 -41.3952 -20.3344 -20.3344 -19.8401 -19.8401 -19.8091 -19.8091 -4.6434 -4.6434 -4.3462 -4.3462 4.0883 4.0883 4.2748 4.2748 4.4315 4.4315 4.7475 4.7475 5.0732 5.0732 5.0918 5.0918 5.5596 5.5596 6.2909 6.2909 6.4825 6.4825 8.3603 8.3603 8.5985 8.5985 10.0148 10.0148 10.0204 10.0204 10.1752 10.1752 11.7484 11.7484 k = 0.0182 0.0315 0.2916 ( 3594 PWs) bands (ev): -41.3952 -41.3952 -20.3343 -20.3343 -19.8400 -19.8400 -19.8088 -19.8088 -4.6482 -4.6482 -4.3493 -4.3493 4.0865 4.0865 4.2905 4.2905 4.4427 4.4427 4.7184 4.7184 5.0765 5.0765 5.0898 5.0898 5.5966 5.5966 6.2749 6.2749 6.4576 6.4576 8.4086 8.4086 8.6385 8.6385 10.0040 10.0040 10.0111 10.0111 10.1390 10.1390 11.8316 11.8316 k = 0.0121 0.0210 0.2916 ( 3596 PWs) bands (ev): -41.3953 -41.3953 -20.3342 -20.3342 -19.8400 -19.8400 -19.8086 -19.8086 -4.6516 -4.6516 -4.3515 -4.3515 4.0850 4.0850 4.3014 4.3014 4.4550 4.4550 4.6931 4.6931 5.0787 5.0787 5.0888 5.0888 5.6261 5.6261 6.2599 6.2599 6.4404 6.4404 8.4423 8.4423 8.6712 8.6712 9.9953 9.9953 10.0014 10.0014 10.1139 10.1139 11.8980 11.8980 k = 0.0061 0.0105 0.2916 ( 3588 PWs) bands (ev): -41.3953 -41.3953 -20.3341 -20.3341 -19.8400 -19.8400 -19.8084 -19.8084 -4.6537 -4.6537 -4.3529 -4.3529 4.0841 4.0841 4.3079 4.3079 4.4653 4.4653 4.6751 4.6751 5.0800 5.0800 5.0885 5.0885 5.6455 5.6455 6.2490 6.2490 6.4305 6.4305 8.4621 8.4621 8.6929 8.6929 9.9889 9.9889 9.9942 9.9942 10.1000 10.1000 11.9361 11.9361 k = 0.0000 0.0000 0.2916 ( 3568 PWs) bands (ev): -41.3953 -41.3953 -20.3340 -20.3340 -19.8399 -19.8399 -19.8083 -19.8083 -4.6544 -4.6544 -4.3533 -4.3533 4.0839 4.0839 4.3101 4.3101 4.4695 4.4695 4.6685 4.6685 5.0805 5.0805 5.0885 5.0885 5.6523 5.6523 6.2450 6.2450 6.4273 6.4273 8.4686 8.4686 8.7005 8.7005 9.9863 9.9863 9.9918 9.9918 10.0957 10.0957 11.9470 11.9470 k = 0.5000 0.2887 0.2916 ( 3604 PWs) bands (ev): -41.3907 -41.3907 -20.3554 -20.3554 -19.8632 -19.8632 -19.8315 -19.8315 -3.9434 -3.9434 -3.9042 -3.9042 3.3941 3.3941 3.6668 3.6668 4.1314 4.1314 4.3079 4.3079 4.8764 4.8764 5.3169 5.3169 5.7000 5.7000 5.7834 5.7834 6.0889 6.0889 7.7375 7.7375 8.0128 8.0128 9.1247 9.1247 10.9346 10.9346 11.0022 11.0022 11.0619 11.0619 k = 0.5000 0.2887 0.2794 ( 3610 PWs) bands (ev): -41.3907 -41.3907 -20.3554 -20.3554 -19.8632 -19.8632 -19.8315 -19.8315 -3.9435 -3.9435 -3.9041 -3.9041 3.3905 3.3905 3.6700 3.6700 4.1335 4.1335 4.3082 4.3082 4.8760 4.8760 5.3168 5.3168 5.6951 5.6951 5.7868 5.7868 6.0902 6.0902 7.7356 7.7356 8.0075 8.0075 9.1272 9.1272 10.9348 10.9348 11.0030 11.0030 11.0627 11.0627 k = 0.5000 0.2887 0.2673 ( 3610 PWs) bands (ev): -41.3907 -41.3907 -20.3554 -20.3554 -19.8632 -19.8632 -19.8315 -19.8315 -3.9439 -3.9439 -3.9037 -3.9037 3.3803 3.3803 3.6791 3.6791 4.1398 4.1398 4.3093 4.3093 4.8753 4.8753 5.3166 5.3166 5.6822 5.6822 5.7950 5.7950 6.0940 6.0940 7.7299 7.7299 7.9921 7.9921 9.1343 9.1343 10.9351 10.9351 11.0056 11.0056 11.0651 11.0651 k = 0.5000 0.2887 0.2551 ( 3610 PWs) bands (ev): -41.3907 -41.3907 -20.3554 -20.3554 -19.8632 -19.8632 -19.8315 -19.8315 -3.9445 -3.9445 -3.9032 -3.9032 3.3648 3.3648 3.6927 3.6927 4.1497 4.1497 4.3115 4.3115 4.8740 4.8740 5.3163 5.3163 5.6642 5.6642 5.8054 5.8054 6.1004 6.1004 7.7204 7.7204 7.9670 7.9670 9.1458 9.1458 10.9357 10.9357 11.0103 11.0103 11.0688 11.0688 k = 0.5000 0.2887 0.2430 ( 3608 PWs) bands (ev): -41.3907 -41.3907 -20.3554 -20.3554 -19.8631 -19.8631 -19.8315 -19.8315 -3.9454 -3.9454 -3.9025 -3.9025 3.3456 3.3456 3.7096 3.7096 4.1625 4.1625 4.3154 4.3154 4.8723 4.8723 5.3159 5.3159 5.6430 5.6430 5.8160 5.8160 6.1093 6.1093 7.7072 7.7072 7.9331 7.9331 9.1611 9.1611 10.9365 10.9365 11.0174 11.0174 11.0737 11.0737 k = 0.5000 0.2887 0.2308 ( 3610 PWs) bands (ev): -41.3907 -41.3907 -20.3554 -20.3554 -19.8632 -19.8632 -19.8315 -19.8315 -3.9465 -3.9465 -3.9017 -3.9017 3.3240 3.3240 3.7287 3.7287 4.1766 4.1766 4.3220 4.3220 4.8701 4.8701 5.3154 5.3154 5.6197 5.6197 5.8260 5.8260 6.1206 6.1206 7.6902 7.6902 7.8917 7.8917 9.1795 9.1795 10.9375 10.9375 11.0271 11.0271 11.0797 11.0797 k = 0.5000 0.2887 0.2187 ( 3602 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8631 -19.8631 -19.8315 -19.8315 -3.9476 -3.9476 -3.9008 -3.9008 3.3010 3.3010 3.7492 3.7492 4.1906 4.1906 4.3327 4.3327 4.8677 4.8677 5.3147 5.3147 5.5949 5.5949 5.8351 5.8351 6.1342 6.1342 7.6694 7.6694 7.8441 7.8441 9.2002 9.2002 10.9386 10.9386 11.0392 11.0392 11.0874 11.0874 k = 0.5000 0.2887 0.2065 ( 3598 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8631 -19.8631 -19.8315 -19.8315 -3.9489 -3.9489 -3.8998 -3.8998 3.2774 3.2774 3.7707 3.7707 4.2024 4.2024 4.3487 4.3487 4.8649 4.8649 5.3139 5.3139 5.5692 5.5692 5.8429 5.8429 6.1502 6.1502 7.6444 7.6444 7.7920 7.7920 9.2227 9.2227 10.9398 10.9398 11.0522 11.0522 11.0980 11.0980 k = 0.5000 0.2887 0.1944 ( 3594 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8631 -19.8631 -19.8314 -19.8314 -3.9503 -3.9503 -3.8987 -3.8987 3.2537 3.2537 3.7928 3.7928 4.2111 4.2111 4.3704 4.3704 4.8618 4.8618 5.3129 5.3129 5.5430 5.5430 5.8494 5.8494 6.1683 6.1683 7.6144 7.6144 7.7375 7.7375 9.2462 9.2462 10.9411 10.9411 11.0640 11.0640 11.1140 11.1140 k = 0.5000 0.2887 0.1822 ( 3600 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8631 -19.8631 -19.8314 -19.8314 -3.9518 -3.9518 -3.8977 -3.8977 3.2304 3.2304 3.8153 3.8153 4.2165 4.2165 4.3974 4.3974 4.8585 4.8585 5.3115 5.3115 5.5170 5.5170 5.8543 5.8543 6.1884 6.1884 7.5778 7.5778 7.6835 7.6835 9.2703 9.2703 10.9423 10.9423 11.0729 11.0729 11.1368 11.1368 k = 0.5000 0.2887 0.1701 ( 3596 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8631 -19.8631 -19.8314 -19.8314 -3.9532 -3.9532 -3.8966 -3.8966 3.2077 3.2077 3.8383 3.8383 4.2192 4.2192 4.4285 4.4285 4.8551 4.8551 5.3101 5.3101 5.4917 5.4917 5.8576 5.8576 6.2104 6.2104 7.5328 7.5328 7.6334 7.6334 9.2944 9.2944 10.9436 10.9436 11.0794 11.0794 11.1658 11.1658 k = 0.5000 0.2887 0.1579 ( 3584 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8631 -19.8631 -19.8314 -19.8314 -3.9547 -3.9547 -3.8955 -3.8955 3.1860 3.1860 3.8616 3.8616 4.2202 4.2202 4.4620 4.4620 4.8517 4.8517 5.3083 5.3083 5.4679 5.4679 5.8592 5.8592 6.2341 6.2341 7.4789 7.4789 7.5888 7.5888 9.3183 9.3183 10.9449 10.9449 11.0843 11.0843 11.2000 11.2000 k = 0.5000 0.2887 0.1458 ( 3582 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8631 -19.8631 -19.8314 -19.8314 -3.9561 -3.9561 -3.8945 -3.8945 3.1654 3.1654 3.8850 3.8850 4.2197 4.2197 4.4965 4.4965 4.8482 4.8482 5.3062 5.3062 5.4463 5.4463 5.8590 5.8590 6.2592 6.2592 7.4186 7.4186 7.5487 7.5487 9.3414 9.3414 10.9461 10.9461 11.0881 11.0881 11.2381 11.2381 k = 0.5000 0.2887 0.1336 ( 3582 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8630 -19.8630 -19.8314 -19.8314 -3.9574 -3.9574 -3.8935 -3.8935 3.1460 3.1460 3.9085 3.9085 4.2186 4.2186 4.5305 4.5305 4.8448 4.8448 5.3038 5.3038 5.4278 5.4278 5.8569 5.8569 6.2855 6.2855 7.3550 7.3550 7.5112 7.5112 9.3636 9.3636 10.9472 10.9472 11.0912 11.0912 11.2794 11.2794 k = 0.5000 0.2887 0.1215 ( 3582 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8630 -19.8630 -19.8314 -19.8314 -3.9588 -3.9588 -3.8926 -3.8926 3.1280 3.1280 3.9319 3.9319 4.2171 4.2171 4.5628 4.5628 4.8414 4.8414 5.3015 5.3015 5.4130 5.4130 5.8528 5.8528 6.3125 6.3125 7.2906 7.2906 7.4752 7.4752 9.3845 9.3845 10.9483 10.9483 11.0939 11.0939 11.3229 11.3229 k = 0.5000 0.2887 0.1093 ( 3584 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8630 -19.8630 -19.8314 -19.8314 -3.9600 -3.9600 -3.8918 -3.8918 3.1114 3.1114 3.9548 3.9548 4.2156 4.2156 4.5922 4.5922 4.8381 4.8381 5.2996 5.2996 5.4025 5.4025 5.8466 5.8466 6.3400 6.3400 7.2274 7.2274 7.4402 7.4402 9.4040 9.4040 10.9493 10.9493 11.0961 11.0961 11.3675 11.3675 k = 0.5000 0.2887 0.0972 ( 3590 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8631 -19.8631 -19.8314 -19.8314 -3.9611 -3.9611 -3.8910 -3.8910 3.0965 3.0965 3.9770 3.9770 4.2141 4.2141 4.6175 4.6175 4.8349 4.8349 5.2988 5.2988 5.3965 5.3965 5.8383 5.8383 6.3674 6.3674 7.1666 7.1666 7.4062 7.4062 9.4219 9.4219 10.9501 10.9501 11.0979 11.0979 11.4121 11.4121 k = 0.5000 0.2887 0.0850 ( 3596 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8631 -19.8631 -19.8314 -19.8314 -3.9622 -3.9622 -3.8903 -3.8903 3.0831 3.0831 3.9981 3.9981 4.2131 4.2131 4.6383 4.6383 4.8316 4.8316 5.2992 5.2992 5.3952 5.3952 5.8279 5.8279 6.3943 6.3943 7.1097 7.1097 7.3738 7.3738 9.4379 9.4379 10.9509 10.9509 11.0995 11.0995 11.4556 11.4556 k = 0.5000 0.2887 0.0729 ( 3592 PWs) bands (ev): -41.3907 -41.3907 -20.3553 -20.3553 -19.8631 -19.8631 -19.8313 -19.8313 -3.9631 -3.9631 -3.8897 -3.8897 3.0715 3.0715 4.0176 4.0176 4.2125 4.2125 4.6541 4.6541 4.8285 4.8285 5.3010 5.3010 5.3987 5.3987 5.8156 5.8156 6.4202 6.4202 7.0576 7.0576 7.3434 7.3434 9.4520 9.4520 10.9516 10.9516 11.1009 11.1009 11.4967 11.4967 k = 0.5000 0.2887 0.0607 ( 3588 PWs) bands (ev): -41.3907 -41.3907 -20.3552 -20.3552 -19.8631 -19.8631 -19.8313 -19.8313 -3.9639 -3.9639 -3.8892 -3.8892 3.0616 3.0616 4.0351 4.0351 4.2125 4.2125 4.6652 4.6652 4.8254 4.8254 5.3035 5.3035 5.4068 5.4068 5.8016 5.8016 6.4441 6.4441 7.0114 7.0114 7.3156 7.3156 9.4642 9.4642 10.9522 10.9522 11.1019 11.1019 11.5341 11.5341 k = 0.5000 0.2887 0.0486 ( 3588 PWs) bands (ev): -41.3907 -41.3907 -20.3552 -20.3552 -19.8630 -19.8630 -19.8313 -19.8313 -3.9645 -3.9645 -3.8887 -3.8887 3.0534 3.0534 4.0500 4.0500 4.2130 4.2130 4.6722 4.6722 4.8225 4.8225 5.3060 5.3060 5.4187 5.4187 5.7866 5.7866 6.4655 6.4655 6.9721 6.9721 7.2912 7.2912 9.4742 9.4742 10.9527 10.9527 11.1028 11.1028 11.5665 11.5665 k = 0.5000 0.2887 0.0364 ( 3584 PWs) bands (ev): -41.3907 -41.3907 -20.3552 -20.3552 -19.8630 -19.8630 -19.8313 -19.8313 -3.9650 -3.9650 -3.8884 -3.8884 3.0470 3.0470 4.0619 4.0619 4.2139 4.2139 4.6760 4.6760 4.8201 4.8201 5.3081 5.3081 5.4327 5.4327 5.7717 5.7717 6.4834 6.4834 6.9406 6.9406 7.2709 7.2709 9.4821 9.4821 10.9531 10.9531 11.1035 11.1035 11.5930 11.5930 k = 0.5000 0.2887 0.0243 ( 3580 PWs) bands (ev): -41.3907 -41.3907 -20.3552 -20.3552 -19.8630 -19.8630 -19.8313 -19.8313 -3.9654 -3.9654 -3.8882 -3.8882 3.0425 3.0425 4.0705 4.0705 4.2150 4.2150 4.6778 4.6778 4.8182 4.8182 5.3095 5.3095 5.4462 5.4462 5.7585 5.7585 6.4969 6.4969 6.9175 6.9175 7.2557 7.2557 9.4877 9.4877 10.9533 10.9533 11.1040 11.1040 11.6125 11.6125 k = 0.5000 0.2887 0.0121 ( 3582 PWs) bands (ev): -41.3907 -41.3907 -20.3552 -20.3552 -19.8630 -19.8630 -19.8313 -19.8313 -3.9656 -3.9656 -3.8880 -3.8880 3.0397 3.0397 4.0758 4.0758 4.2158 4.2158 4.6784 4.6784 4.8170 4.8170 5.3104 5.3104 5.4561 5.4561 5.7492 5.7492 6.5054 6.5054 6.9033 6.9033 7.2462 7.2462 9.4911 9.4911 10.9535 10.9535 11.1042 11.1042 11.6245 11.6245 k = 0.5000 0.2887-0.0000 ( 3582 PWs) bands (ev): -41.3907 -41.3907 -20.3552 -20.3552 -19.8630 -19.8630 -19.8313 -19.8313 -3.9657 -3.9657 -3.8880 -3.8880 3.0388 3.0388 4.0775 4.0775 4.2161 4.2161 4.6785 4.6785 4.8166 4.8166 5.3106 5.3106 5.4598 5.4598 5.7458 5.7458 6.5084 6.5084 6.8986 6.8986 7.2430 7.2430 9.4923 9.4923 10.9535 10.9535 11.1043 11.1043 11.6285 11.6285 k = 0.3333 0.5774-0.0000 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8447 -19.8447 -3.8524 -3.8524 -3.8467 -3.8467 3.5136 3.5136 3.8467 3.8467 3.8624 3.8624 4.4565 4.4565 4.7255 4.7255 5.4745 5.4745 5.6427 5.6427 5.9434 5.9434 6.0703 6.0703 6.7565 6.7565 6.7642 6.7642 10.1513 10.1513 10.9267 10.9267 10.9681 10.9681 11.4315 11.4315 k = 0.3333 0.5774 0.0121 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8447 -19.8447 -3.8524 -3.8524 -3.8467 -3.8467 3.5150 3.5150 3.8472 3.8472 3.8628 3.8628 4.4561 4.4561 4.7246 4.7246 5.4717 5.4717 5.6426 5.6426 5.9404 5.9404 6.0677 6.0677 6.7604 6.7604 6.7683 6.7683 10.1526 10.1526 10.9244 10.9244 10.9655 10.9655 11.4352 11.4352 k = 0.3333 0.5774 0.0243 ( 3591 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8447 -19.8447 -3.8524 -3.8524 -3.8466 -3.8466 3.5191 3.5191 3.8488 3.8488 3.8639 3.8639 4.4550 4.4550 4.7218 4.7218 5.4631 5.4631 5.6424 5.6424 5.9315 5.9315 6.0604 6.0604 6.7720 6.7720 6.7801 6.7801 10.1565 10.1565 10.9179 10.9179 10.9579 10.9579 11.4460 11.4460 k = 0.3333 0.5774 0.0364 ( 3597 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8448 -19.8448 -3.8524 -3.8524 -3.8466 -3.8466 3.5260 3.5260 3.8513 3.8513 3.8657 3.8657 4.4531 4.4531 4.7171 4.7171 5.4490 5.4490 5.6422 5.6422 5.9173 5.9173 6.0489 6.0489 6.7904 6.7904 6.7990 6.7990 10.1627 10.1627 10.9075 10.9075 10.9459 10.9459 11.4633 11.4633 k = 0.3333 0.5774 0.0486 ( 3597 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8448 -19.8448 -3.8523 -3.8523 -3.8466 -3.8466 3.5357 3.5357 3.8549 3.8549 3.8682 3.8682 4.4504 4.4504 4.7107 4.7107 5.4297 5.4297 5.6418 5.6418 5.8987 5.8987 6.0341 6.0341 6.8149 6.8149 6.8241 6.8241 10.1711 10.1711 10.8939 10.8939 10.9304 10.9304 11.4863 11.4863 k = 0.3333 0.5774 0.0607 ( 3591 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8447 -19.8447 -3.8523 -3.8523 -3.8465 -3.8465 3.5481 3.5481 3.8595 3.8595 3.8715 3.8715 4.4470 4.4470 4.7025 4.7025 5.4053 5.4053 5.6413 5.6413 5.8766 5.8766 6.0169 6.0169 6.8445 6.8445 6.8543 6.8543 10.1814 10.1814 10.8777 10.8777 10.9122 10.9122 11.5141 11.5141 k = 0.3333 0.5774 0.0729 ( 3591 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8448 -19.8448 -3.8522 -3.8522 -3.8465 -3.8465 3.5631 3.5631 3.8652 3.8652 3.8754 3.8754 4.4429 4.4429 4.6927 4.6927 5.3760 5.3760 5.6406 5.6406 5.8519 5.8519 5.9983 5.9983 6.8780 6.8780 6.8885 6.8885 10.1933 10.1933 10.8597 10.8597 10.8923 10.8923 11.5460 11.5460 k = 0.3333 0.5774 0.0850 ( 3591 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8448 -19.8448 -3.8522 -3.8522 -3.8464 -3.8464 3.5807 3.5807 3.8718 3.8718 3.8799 3.8799 4.4381 4.4381 4.6813 4.6813 5.3422 5.3422 5.6398 5.6398 5.8257 5.8257 5.9790 5.9790 6.9145 6.9145 6.9257 6.9257 10.2064 10.2064 10.8404 10.8404 10.8711 10.8711 11.5813 11.5813 k = 0.3333 0.5774 0.0972 ( 3579 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8447 -19.8447 -3.8521 -3.8521 -3.8463 -3.8463 3.6007 3.6007 3.8796 3.8796 3.8851 3.8851 4.4326 4.4326 4.6685 4.6685 5.3044 5.3044 5.6388 5.6388 5.7985 5.7985 5.9598 5.9598 6.9531 6.9531 6.9651 6.9651 10.2202 10.2202 10.8204 10.8204 10.8493 10.8493 11.6195 11.6196 k = 0.3333 0.5774 0.1093 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8448 -19.8448 -3.8520 -3.8520 -3.8463 -3.8463 3.6230 3.6230 3.8883 3.8883 3.8908 3.8908 4.4265 4.4265 4.6544 4.6544 5.2628 5.2628 5.6375 5.6375 5.7710 5.7710 5.9410 5.9410 6.9930 6.9930 7.0057 7.0057 10.2345 10.2345 10.8000 10.8000 10.8273 10.8273 11.6602 11.6602 k = 0.3333 0.5774 0.1215 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8448 -19.8448 -3.8519 -3.8519 -3.8462 -3.8462 3.6474 3.6474 3.8970 3.8970 3.8981 3.8981 4.4199 4.4199 4.6392 4.6392 5.2180 5.2180 5.6361 5.6361 5.7439 5.7439 5.9232 5.9232 7.0334 7.0334 7.0470 7.0470 10.2488 10.2488 10.7795 10.7795 10.8054 10.8054 11.7030 11.7030 k = 0.3333 0.5774 0.1336 ( 3597 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8563 -19.8563 -19.8448 -19.8448 -3.8519 -3.8519 -3.8461 -3.8461 3.6737 3.6737 3.9036 3.9036 3.9090 3.9090 4.4127 4.4127 4.6230 4.6230 5.1704 5.1704 5.6344 5.6344 5.7173 5.7173 5.9065 5.9065 7.0738 7.0738 7.0883 7.0883 10.2627 10.2627 10.7594 10.7594 10.7839 10.7839 11.7478 11.7478 k = 0.3333 0.5774 0.1458 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8448 -19.8448 -3.8518 -3.8518 -3.8460 -3.8460 3.7017 3.7017 3.9106 3.9106 3.9211 3.9211 4.4052 4.4052 4.6061 4.6061 5.1205 5.1205 5.6326 5.6326 5.6919 5.6919 5.8913 5.8913 7.1137 7.1137 7.1291 7.1291 10.2762 10.2762 10.7398 10.7398 10.7630 10.7630 11.7940 11.7940 k = 0.3333 0.5774 0.1579 ( 3582 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8448 -19.8448 -3.8517 -3.8517 -3.8460 -3.8460 3.7308 3.7308 3.9179 3.9179 3.9346 3.9346 4.3974 4.3974 4.5888 4.5888 5.0688 5.0688 5.6306 5.6306 5.6678 5.6678 5.8774 5.8774 7.1523 7.1523 7.1687 7.1687 10.2889 10.2889 10.7210 10.7210 10.7431 10.7431 11.8416 11.8416 k = 0.3333 0.5774 0.1701 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3571 -20.3571 -19.8563 -19.8563 -19.8448 -19.8448 -3.8516 -3.8516 -3.8459 -3.8459 3.7606 3.7606 3.9253 3.9253 3.9497 3.9497 4.3894 4.3894 4.5711 4.5711 5.0158 5.0158 5.6285 5.6285 5.6451 5.6451 5.8651 5.8651 7.1893 7.1893 7.2066 7.2066 10.3006 10.3006 10.7031 10.7031 10.7241 10.7241 11.8900 11.8900 k = 0.3333 0.5774 0.1822 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8563 -19.8563 -19.8449 -19.8449 -3.8515 -3.8515 -3.8458 -3.8458 3.7902 3.7902 3.9327 3.9327 3.9668 3.9668 4.3813 4.3813 4.5535 4.5535 4.9621 4.9621 5.6243 5.6243 5.6263 5.6263 5.8543 5.8543 7.2243 7.2243 7.2425 7.2425 10.3112 10.3112 10.6863 10.6863 10.7064 10.7064 11.9388 11.9388 k = 0.3333 0.5774 0.1944 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8563 -19.8563 -19.8449 -19.8449 -3.8515 -3.8515 -3.8457 -3.8457 3.8188 3.8188 3.9401 3.9401 3.9862 3.9862 4.3733 4.3733 4.5361 4.5361 4.9082 4.9082 5.6053 5.6053 5.6239 5.6239 5.8449 5.8449 7.2568 7.2568 7.2760 7.2760 10.3207 10.3207 10.6708 10.6708 10.6900 10.6900 11.9875 11.9875 k = 0.3333 0.5774 0.2065 ( 3594 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8563 -19.8563 -19.8449 -19.8449 -3.8514 -3.8514 -3.8457 -3.8457 3.8453 3.8453 3.9472 3.9472 4.0084 4.0084 4.3656 4.3656 4.5191 4.5191 4.8550 4.8550 5.5883 5.5883 5.6217 5.6217 5.8369 5.8369 7.2864 7.2864 7.3064 7.3064 10.3290 10.3290 10.6568 10.6568 10.6752 10.6752 12.0353 12.0353 k = 0.3333 0.5774 0.2187 ( 3594 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8563 -19.8563 -19.8449 -19.8449 -3.8513 -3.8513 -3.8456 -3.8456 3.8690 3.8690 3.9539 3.9539 4.0336 4.0336 4.3583 4.3583 4.5029 4.5029 4.8032 4.8032 5.5735 5.5735 5.6196 5.6196 5.8303 5.8303 7.3128 7.3128 7.3337 7.3337 10.3361 10.3361 10.6443 10.6443 10.6620 10.6620 12.0813 12.0813 k = 0.3333 0.5774 0.2308 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8563 -19.8563 -19.8449 -19.8449 -3.8513 -3.8513 -3.8455 -3.8455 3.8890 3.8890 3.9600 3.9600 4.0614 4.0614 4.3517 4.3517 4.4876 4.4876 4.7540 4.7540 5.5608 5.5608 5.6178 5.6178 5.8249 5.8249 7.3357 7.3357 7.3573 7.3573 10.3420 10.3420 10.6335 10.6335 10.6506 10.6506 12.1243 12.1243 k = 0.3333 0.5774 0.2430 ( 3594 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8563 -19.8563 -19.8449 -19.8449 -3.8512 -3.8512 -3.8455 -3.8455 3.9051 3.9051 3.9653 3.9653 4.0906 4.0906 4.3458 4.3458 4.4735 4.4735 4.7088 4.7088 5.5503 5.5503 5.6161 5.6161 5.8206 5.8206 7.3548 7.3548 7.3771 7.3771 10.3468 10.3468 10.6246 10.6246 10.6411 10.6411 12.1630 12.1630 k = 0.3333 0.5774 0.2551 ( 3594 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8563 -19.8563 -19.8449 -19.8449 -3.8512 -3.8512 -3.8455 -3.8455 3.9174 3.9174 3.9697 3.9697 4.1191 4.1191 4.3411 4.3411 4.4607 4.4607 4.6696 4.6696 5.5422 5.5422 5.6147 5.6147 5.8173 5.8173 7.3699 7.3699 7.3927 7.3927 10.3505 10.3505 10.6175 10.6175 10.6337 10.6337 12.1955 12.1955 k = 0.3333 0.5774 0.2673 ( 3597 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8563 -19.8563 -19.8449 -19.8449 -3.8512 -3.8512 -3.8454 -3.8454 3.9261 3.9261 3.9729 3.9729 4.1440 4.1440 4.3375 4.3375 4.4499 4.4499 4.6388 4.6388 5.5363 5.5363 5.6137 5.6137 5.8151 5.8151 7.3808 7.3808 7.4040 7.4040 10.3530 10.3530 10.6124 10.6124 10.6283 10.6283 12.2191 12.2191 k = 0.3333 0.5774 0.2794 ( 3588 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8563 -19.8563 -19.8449 -19.8449 -3.8511 -3.8511 -3.8454 -3.8454 3.9313 3.9313 3.9749 3.9749 4.1615 4.1615 4.3354 4.3354 4.4423 4.4423 4.6190 4.6190 5.5329 5.5329 5.6131 5.6131 5.8137 5.8137 7.3874 7.3874 7.4109 7.4109 10.3546 10.3546 10.6093 10.6093 10.6250 10.6250 12.2339 12.2339 k = 0.3333 0.5774 0.2916 ( 3576 PWs) bands (ev): -41.3901 -41.3901 -20.3572 -20.3572 -19.8563 -19.8563 -19.8449 -19.8449 -3.8511 -3.8511 -3.8454 -3.8454 3.9330 3.9330 3.9757 3.9757 4.1679 4.1679 4.3347 4.3347 4.4394 4.4394 4.6121 4.6121 5.5317 5.5317 5.6130 5.6130 5.8133 5.8133 7.3897 7.3897 7.4132 7.4132 10.3551 10.3551 10.6083 10.6083 10.6239 10.6239 12.2390 12.2390 Writing output data file ScAgSe2.save init_run : 0.38s CPU 0.55s WALL ( 1 calls) electrons : 101.87s CPU 103.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 101.86s CPU 103.85s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 341 calls) cegterg : 93.18s CPU 94.64s WALL ( 361 calls) Called by sum_band: Called by *egterg: h_psi : 50.96s CPU 52.10s WALL ( 6457 calls) s_psi : 3.39s CPU 3.41s WALL ( 6457 calls) g_psi : 0.18s CPU 0.16s WALL ( 5755 calls) cdiaghg : 35.80s CPU 36.47s WALL ( 6096 calls) cegterg:over : 3.74s CPU 3.64s WALL ( 5755 calls) cegterg:upda : 3.08s CPU 3.11s WALL ( 5755 calls) cegterg:last : 1.65s CPU 1.67s WALL ( 1103 calls) cdiaghg:chol : 2.02s CPU 2.04s WALL ( 6096 calls) cdiaghg:inve : 1.26s CPU 1.23s WALL ( 6096 calls) cdiaghg:para : 2.13s CPU 2.10s WALL ( 12192 calls) Called by h_psi: h_psi:vloc : 45.37s CPU 46.25s WALL ( 6457 calls) h_psi:vnl : 5.46s CPU 5.70s WALL ( 6457 calls) add_vuspsi : 2.73s CPU 2.88s WALL ( 6457 calls) General routines calbec : 2.73s CPU 2.80s WALL ( 6457 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 41.75s CPU 42.67s WALL ( 623264 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.17s WALL ( 682 calls) Parallel routines fft_scatter : 16.32s CPU 17.11s WALL ( 623287 calls) PWSCF : 1m55.02s CPU 2m 7.75s WALL This run was terminated on: 18:26:50 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. 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