Program PWSCF v.5.1.1 starts on 15Oct2015 at 2:26:11 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./LiGaGe.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 36 36 10 2022 2022 298 Max 37 37 11 2035 2035 305 Sum 1765 1765 499 97379 97379 14473 bravais-lattice index = 14 lattice parameter (alat) = 7.8896 a.u. unit-cell volume = 690.9743 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.889606 celldm(2)= 1.000000 celldm(3)= 1.624671 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 1.624671 ) 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 0.615509 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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. # 3 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 Ge 4.00 72.64000 Ge( 1.00) Li 3.00 6.94100 Li( 1.00) Ga 13.00 69.72300 Ga( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8123353 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8123353 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8123353 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -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 = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -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 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8123353 ) 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. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8123353 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8123353 ) 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 C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 323 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0030960 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0030960 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0030960 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0030960 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0030960 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0030960 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0030960 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0030960 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0030960 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0030960 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0030960 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0030960 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0030960 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0030960 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0030960 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0030960 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0030960 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0030960 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0030960 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0030960 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0030960 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0030960 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0030960 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0030960 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0030960 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0030960 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0030960 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0030960 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0030960 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0030960 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0030960 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0030960 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0030960 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0030960 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0030960 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0030960 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0030960 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0030960 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0030960 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0030960 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0030960 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0030960 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0030960 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030960 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030960 k( 47) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0030960 k( 48) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0030960 k( 49) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0030960 k( 50) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0030960 k( 51) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0030960 k( 52) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0030960 k( 53) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0030960 k( 54) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0030960 k( 55) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0030960 k( 56) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0030960 k( 57) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0030960 k( 58) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0030960 k( 59) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0030960 k( 60) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0030960 k( 61) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0030960 k( 62) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0030960 k( 63) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0030960 k( 64) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0030960 k( 65) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0030960 k( 66) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0030960 k( 67) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0030960 k( 68) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0030960 k( 69) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0030960 k( 70) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0030960 k( 71) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0030960 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030960 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030960 k( 74) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0030960 k( 75) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0030960 k( 76) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0030960 k( 77) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0030960 k( 78) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0030960 k( 79) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0030960 k( 80) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0030960 k( 81) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0030960 k( 82) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0030960 k( 83) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0030960 k( 84) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0030960 k( 85) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0030960 k( 86) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0030960 k( 87) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0030960 k( 88) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0030960 k( 89) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0030960 k( 90) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0030960 k( 91) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0030960 k( 92) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0030960 k( 93) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0030960 k( 94) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0030960 k( 95) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0030960 k( 96) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0030960 k( 97) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0030960 k( 98) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0030960 k( 99) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0030960 k( 100) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0030960 k( 101) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0030960 k( 102) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0030960 k( 103) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0030960 k( 104) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0030960 k( 105) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0030960 k( 106) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0030960 k( 107) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0030960 k( 108) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0030960 k( 109) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0030960 k( 110) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0030960 k( 111) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0030960 k( 112) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0030960 k( 113) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0030960 k( 114) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0030960 k( 115) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0030960 k( 116) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0030960 k( 117) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0030960 k( 118) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0030960 k( 119) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0030960 k( 120) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0030960 k( 121) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0030960 k( 122) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0030960 k( 123) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0030960 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 126) = ( 0.0000000 0.0000000 0.0128231), wk = 0.0030960 k( 127) = ( 0.0000000 0.0000000 0.0256462), wk = 0.0030960 k( 128) = ( 0.0000000 0.0000000 0.0384693), wk = 0.0030960 k( 129) = ( 0.0000000 0.0000000 0.0512924), wk = 0.0030960 k( 130) = ( 0.0000000 0.0000000 0.0641156), wk = 0.0030960 k( 131) = ( 0.0000000 0.0000000 0.0769387), wk = 0.0030960 k( 132) = ( 0.0000000 0.0000000 0.0897618), wk = 0.0030960 k( 133) = ( 0.0000000 0.0000000 0.1025849), wk = 0.0030960 k( 134) = ( 0.0000000 0.0000000 0.1154080), wk = 0.0030960 k( 135) = ( 0.0000000 0.0000000 0.1282311), wk = 0.0030960 k( 136) = ( 0.0000000 0.0000000 0.1410542), wk = 0.0030960 k( 137) = ( 0.0000000 0.0000000 0.1538773), wk = 0.0030960 k( 138) = ( 0.0000000 0.0000000 0.1667005), wk = 0.0030960 k( 139) = ( 0.0000000 0.0000000 0.1795236), wk = 0.0030960 k( 140) = ( 0.0000000 0.0000000 0.1923467), wk = 0.0030960 k( 141) = ( 0.0000000 0.0000000 0.2051698), wk = 0.0030960 k( 142) = ( 0.0000000 0.0000000 0.2179929), wk = 0.0030960 k( 143) = ( 0.0000000 0.0000000 0.2308160), wk = 0.0030960 k( 144) = ( 0.0000000 0.0000000 0.2436391), wk = 0.0030960 k( 145) = ( 0.0000000 0.0000000 0.2564622), wk = 0.0030960 k( 146) = ( 0.0000000 0.0000000 0.2692853), wk = 0.0030960 k( 147) = ( 0.0000000 0.0000000 0.2821085), wk = 0.0030960 k( 148) = ( 0.0000000 0.0000000 0.2949316), wk = 0.0030960 k( 149) = ( 0.0000000 0.0000000 0.3077547), wk = 0.0030960 k( 150) = ( 0.0000000 0.0000000 0.3077547), wk = 0.0030960 k( 151) = ( 0.0113636 0.0065608 0.3077547), wk = 0.0030960 k( 152) = ( 0.0227273 0.0131216 0.3077547), wk = 0.0030960 k( 153) = ( 0.0340909 0.0196824 0.3077547), wk = 0.0030960 k( 154) = ( 0.0454546 0.0262432 0.3077547), wk = 0.0030960 k( 155) = ( 0.0568182 0.0328040 0.3077547), wk = 0.0030960 k( 156) = ( 0.0681818 0.0393648 0.3077547), wk = 0.0030960 k( 157) = ( 0.0795455 0.0459256 0.3077547), wk = 0.0030960 k( 158) = ( 0.0909091 0.0524864 0.3077547), wk = 0.0030960 k( 159) = ( 0.1022727 0.0590472 0.3077547), wk = 0.0030960 k( 160) = ( 0.1136364 0.0656080 0.3077547), wk = 0.0030960 k( 161) = ( 0.1250000 0.0721688 0.3077547), wk = 0.0030960 k( 162) = ( 0.1363636 0.0787296 0.3077547), wk = 0.0030960 k( 163) = ( 0.1477273 0.0852904 0.3077547), wk = 0.0030960 k( 164) = ( 0.1590909 0.0918512 0.3077547), wk = 0.0030960 k( 165) = ( 0.1704546 0.0984120 0.3077547), wk = 0.0030960 k( 166) = ( 0.1818182 0.1049728 0.3077547), wk = 0.0030960 k( 167) = ( 0.1931818 0.1115336 0.3077547), wk = 0.0030960 k( 168) = ( 0.2045454 0.1180944 0.3077547), wk = 0.0030960 k( 169) = ( 0.2159091 0.1246552 0.3077547), wk = 0.0030960 k( 170) = ( 0.2272727 0.1312160 0.3077547), wk = 0.0030960 k( 171) = ( 0.2386364 0.1377768 0.3077547), wk = 0.0030960 k( 172) = ( 0.2500000 0.1443376 0.3077547), wk = 0.0030960 k( 173) = ( 0.2613636 0.1508984 0.3077547), wk = 0.0030960 k( 174) = ( 0.2727273 0.1574592 0.3077547), wk = 0.0030960 k( 175) = ( 0.2840909 0.1640200 0.3077547), wk = 0.0030960 k( 176) = ( 0.2954545 0.1705808 0.3077547), wk = 0.0030960 k( 177) = ( 0.3068182 0.1771416 0.3077547), wk = 0.0030960 k( 178) = ( 0.3181818 0.1837024 0.3077547), wk = 0.0030960 k( 179) = ( 0.3295455 0.1902632 0.3077547), wk = 0.0030960 k( 180) = ( 0.3409091 0.1968240 0.3077547), wk = 0.0030960 k( 181) = ( 0.3522727 0.2033848 0.3077547), wk = 0.0030960 k( 182) = ( 0.3636364 0.2099456 0.3077547), wk = 0.0030960 k( 183) = ( 0.3750000 0.2165064 0.3077547), wk = 0.0030960 k( 184) = ( 0.3863636 0.2230672 0.3077547), wk = 0.0030960 k( 185) = ( 0.3977273 0.2296279 0.3077547), wk = 0.0030960 k( 186) = ( 0.4090909 0.2361887 0.3077547), wk = 0.0030960 k( 187) = ( 0.4204545 0.2427495 0.3077547), wk = 0.0030960 k( 188) = ( 0.4318182 0.2493103 0.3077547), wk = 0.0030960 k( 189) = ( 0.4431818 0.2558711 0.3077547), wk = 0.0030960 k( 190) = ( 0.4545455 0.2624319 0.3077547), wk = 0.0030960 k( 191) = ( 0.4659091 0.2689927 0.3077547), wk = 0.0030960 k( 192) = ( 0.4772727 0.2755535 0.3077547), wk = 0.0030960 k( 193) = ( 0.4886364 0.2821143 0.3077547), wk = 0.0030960 k( 194) = ( 0.5000000 0.2886751 0.3077547), wk = 0.0030960 k( 195) = ( 0.5000000 0.2886751 0.3077547), wk = 0.0030960 k( 196) = ( 0.4935897 0.2997780 0.3077547), wk = 0.0030960 k( 197) = ( 0.4871795 0.3108809 0.3077547), wk = 0.0030960 k( 198) = ( 0.4807692 0.3219838 0.3077547), wk = 0.0030960 k( 199) = ( 0.4743590 0.3330867 0.3077547), wk = 0.0030960 k( 200) = ( 0.4679487 0.3441896 0.3077547), wk = 0.0030960 k( 201) = ( 0.4615385 0.3552925 0.3077547), wk = 0.0030960 k( 202) = ( 0.4551282 0.3663954 0.3077547), wk = 0.0030960 k( 203) = ( 0.4487179 0.3774983 0.3077547), wk = 0.0030960 k( 204) = ( 0.4423077 0.3886011 0.3077547), wk = 0.0030960 k( 205) = ( 0.4358974 0.3997040 0.3077547), wk = 0.0030960 k( 206) = ( 0.4294872 0.4108069 0.3077547), wk = 0.0030960 k( 207) = ( 0.4230769 0.4219098 0.3077547), wk = 0.0030960 k( 208) = ( 0.4166667 0.4330127 0.3077547), wk = 0.0030960 k( 209) = ( 0.4102564 0.4441156 0.3077547), wk = 0.0030960 k( 210) = ( 0.4038462 0.4552185 0.3077547), wk = 0.0030960 k( 211) = ( 0.3974359 0.4663214 0.3077547), wk = 0.0030960 k( 212) = ( 0.3910256 0.4774243 0.3077547), wk = 0.0030960 k( 213) = ( 0.3846154 0.4885271 0.3077547), wk = 0.0030960 k( 214) = ( 0.3782051 0.4996300 0.3077547), wk = 0.0030960 k( 215) = ( 0.3717949 0.5107329 0.3077547), wk = 0.0030960 k( 216) = ( 0.3653846 0.5218358 0.3077547), wk = 0.0030960 k( 217) = ( 0.3589744 0.5329387 0.3077547), wk = 0.0030960 k( 218) = ( 0.3525641 0.5440416 0.3077547), wk = 0.0030960 k( 219) = ( 0.3461538 0.5551445 0.3077547), wk = 0.0030960 k( 220) = ( 0.3397436 0.5662474 0.3077547), wk = 0.0030960 k( 221) = ( 0.3333333 0.5773503 0.3077547), wk = 0.0030960 k( 222) = ( 0.3333333 0.5773503 0.3077547), wk = 0.0030960 k( 223) = ( 0.3267974 0.5660297 0.3077547), wk = 0.0030960 k( 224) = ( 0.3202614 0.5547091 0.3077547), wk = 0.0030960 k( 225) = ( 0.3137255 0.5433885 0.3077547), wk = 0.0030960 k( 226) = ( 0.3071895 0.5320679 0.3077547), wk = 0.0030960 k( 227) = ( 0.3006536 0.5207473 0.3077547), wk = 0.0030960 k( 228) = ( 0.2941177 0.5094267 0.3077547), wk = 0.0030960 k( 229) = ( 0.2875817 0.4981061 0.3077547), wk = 0.0030960 k( 230) = ( 0.2810457 0.4867855 0.3077547), wk = 0.0030960 k( 231) = ( 0.2745098 0.4754649 0.3077547), wk = 0.0030960 k( 232) = ( 0.2679739 0.4641443 0.3077547), wk = 0.0030960 k( 233) = ( 0.2614379 0.4528237 0.3077547), wk = 0.0030960 k( 234) = ( 0.2549020 0.4415031 0.3077547), wk = 0.0030960 k( 235) = ( 0.2483660 0.4301825 0.3077547), wk = 0.0030960 k( 236) = ( 0.2418301 0.4188620 0.3077547), wk = 0.0030960 k( 237) = ( 0.2352941 0.4075414 0.3077547), wk = 0.0030960 k( 238) = ( 0.2287582 0.3962208 0.3077547), wk = 0.0030960 k( 239) = ( 0.2222222 0.3849002 0.3077547), wk = 0.0030960 k( 240) = ( 0.2156863 0.3735796 0.3077547), wk = 0.0030960 k( 241) = ( 0.2091503 0.3622590 0.3077547), wk = 0.0030960 k( 242) = ( 0.2026144 0.3509384 0.3077547), wk = 0.0030960 k( 243) = ( 0.1960784 0.3396178 0.3077547), wk = 0.0030960 k( 244) = ( 0.1895425 0.3282972 0.3077547), wk = 0.0030960 k( 245) = ( 0.1830065 0.3169766 0.3077547), wk = 0.0030960 k( 246) = ( 0.1764706 0.3056560 0.3077547), wk = 0.0030960 k( 247) = ( 0.1699346 0.2943354 0.3077547), wk = 0.0030960 k( 248) = ( 0.1633987 0.2830148 0.3077547), wk = 0.0030960 k( 249) = ( 0.1568627 0.2716943 0.3077547), wk = 0.0030960 k( 250) = ( 0.1503268 0.2603737 0.3077547), wk = 0.0030960 k( 251) = ( 0.1437908 0.2490531 0.3077547), wk = 0.0030960 k( 252) = ( 0.1372549 0.2377325 0.3077547), wk = 0.0030960 k( 253) = ( 0.1307190 0.2264119 0.3077547), wk = 0.0030960 k( 254) = ( 0.1241830 0.2150913 0.3077547), wk = 0.0030960 k( 255) = ( 0.1176471 0.2037707 0.3077547), wk = 0.0030960 k( 256) = ( 0.1111111 0.1924501 0.3077547), wk = 0.0030960 k( 257) = ( 0.1045752 0.1811295 0.3077547), wk = 0.0030960 k( 258) = ( 0.0980392 0.1698089 0.3077547), wk = 0.0030960 k( 259) = ( 0.0915033 0.1584883 0.3077547), wk = 0.0030960 k( 260) = ( 0.0849673 0.1471677 0.3077547), wk = 0.0030960 k( 261) = ( 0.0784314 0.1358471 0.3077547), wk = 0.0030960 k( 262) = ( 0.0718954 0.1245265 0.3077547), wk = 0.0030960 k( 263) = ( 0.0653595 0.1132059 0.3077547), wk = 0.0030960 k( 264) = ( 0.0588235 0.1018853 0.3077547), wk = 0.0030960 k( 265) = ( 0.0522876 0.0905647 0.3077547), wk = 0.0030960 k( 266) = ( 0.0457516 0.0792441 0.3077547), wk = 0.0030960 k( 267) = ( 0.0392157 0.0679236 0.3077547), wk = 0.0030960 k( 268) = ( 0.0326797 0.0566030 0.3077547), wk = 0.0030960 k( 269) = ( 0.0261438 0.0452824 0.3077547), wk = 0.0030960 k( 270) = ( 0.0196078 0.0339618 0.3077547), wk = 0.0030960 k( 271) = ( 0.0130719 0.0226412 0.3077547), wk = 0.0030960 k( 272) = ( 0.0065359 0.0113206 0.3077547), wk = 0.0030960 k( 273) = ( 0.0000000 0.0000000 0.3077547), wk = 0.0030960 k( 274) = ( 0.5000000 0.2886751 0.3077547), wk = 0.0030960 k( 275) = ( 0.5000000 0.2886751 0.2949316), wk = 0.0030960 k( 276) = ( 0.5000000 0.2886751 0.2821085), wk = 0.0030960 k( 277) = ( 0.5000000 0.2886751 0.2692853), wk = 0.0030960 k( 278) = ( 0.5000000 0.2886751 0.2564622), wk = 0.0030960 k( 279) = ( 0.5000000 0.2886751 0.2436391), wk = 0.0030960 k( 280) = ( 0.5000000 0.2886751 0.2308160), wk = 0.0030960 k( 281) = ( 0.5000000 0.2886751 0.2179929), wk = 0.0030960 k( 282) = ( 0.5000000 0.2886751 0.2051698), wk = 0.0030960 k( 283) = ( 0.5000000 0.2886751 0.1923467), wk = 0.0030960 k( 284) = ( 0.5000000 0.2886751 0.1795236), wk = 0.0030960 k( 285) = ( 0.5000000 0.2886751 0.1667005), wk = 0.0030960 k( 286) = ( 0.5000000 0.2886751 0.1538773), wk = 0.0030960 k( 287) = ( 0.5000000 0.2886751 0.1410542), wk = 0.0030960 k( 288) = ( 0.5000000 0.2886751 0.1282311), wk = 0.0030960 k( 289) = ( 0.5000000 0.2886751 0.1154080), wk = 0.0030960 k( 290) = ( 0.5000000 0.2886751 0.1025849), wk = 0.0030960 k( 291) = ( 0.5000000 0.2886751 0.0897618), wk = 0.0030960 k( 292) = ( 0.5000000 0.2886751 0.0769387), wk = 0.0030960 k( 293) = ( 0.5000000 0.2886751 0.0641156), wk = 0.0030960 k( 294) = ( 0.5000000 0.2886751 0.0512924), wk = 0.0030960 k( 295) = ( 0.5000000 0.2886751 0.0384693), wk = 0.0030960 k( 296) = ( 0.5000000 0.2886751 0.0256462), wk = 0.0030960 k( 297) = ( 0.5000000 0.2886751 0.0128231), wk = 0.0030960 k( 298) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030960 k( 299) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030960 k( 300) = ( 0.3333333 0.5773503 0.0128231), wk = 0.0030960 k( 301) = ( 0.3333333 0.5773503 0.0256462), wk = 0.0030960 k( 302) = ( 0.3333333 0.5773503 0.0384693), wk = 0.0030960 k( 303) = ( 0.3333333 0.5773503 0.0512924), wk = 0.0030960 k( 304) = ( 0.3333333 0.5773503 0.0641156), wk = 0.0030960 k( 305) = ( 0.3333333 0.5773503 0.0769387), wk = 0.0030960 k( 306) = ( 0.3333333 0.5773503 0.0897618), wk = 0.0030960 k( 307) = ( 0.3333333 0.5773503 0.1025849), wk = 0.0030960 k( 308) = ( 0.3333333 0.5773503 0.1154080), wk = 0.0030960 k( 309) = ( 0.3333333 0.5773503 0.1282311), wk = 0.0030960 k( 310) = ( 0.3333333 0.5773503 0.1410542), wk = 0.0030960 k( 311) = ( 0.3333333 0.5773503 0.1538773), wk = 0.0030960 k( 312) = ( 0.3333333 0.5773503 0.1667005), wk = 0.0030960 k( 313) = ( 0.3333333 0.5773503 0.1795236), wk = 0.0030960 k( 314) = ( 0.3333333 0.5773503 0.1923467), wk = 0.0030960 k( 315) = ( 0.3333333 0.5773503 0.2051698), wk = 0.0030960 k( 316) = ( 0.3333333 0.5773503 0.2179929), wk = 0.0030960 k( 317) = ( 0.3333333 0.5773503 0.2308160), wk = 0.0030960 k( 318) = ( 0.3333333 0.5773503 0.2436391), wk = 0.0030960 k( 319) = ( 0.3333333 0.5773503 0.2564622), wk = 0.0030960 k( 320) = ( 0.3333333 0.5773503 0.2692853), wk = 0.0030960 k( 321) = ( 0.3333333 0.5773503 0.2821085), wk = 0.0030960 k( 322) = ( 0.3333333 0.5773503 0.2949316), wk = 0.0030960 k( 323) = ( 0.3333333 0.5773503 0.3077547), wk = 0.0030960 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0030960 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0030960 k( 4) = ( 0.0340909 0.0000000 -0.0000000), wk = 0.0030960 k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0030960 k( 6) = ( 0.0568182 0.0000000 -0.0000000), wk = 0.0030960 k( 7) = ( 0.0681818 0.0000000 -0.0000000), wk = 0.0030960 k( 8) = ( 0.0795455 0.0000000 -0.0000000), wk = 0.0030960 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0030960 k( 10) = ( 0.1022727 0.0000000 -0.0000000), wk = 0.0030960 k( 11) = ( 0.1136364 0.0000000 -0.0000000), wk = 0.0030960 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0030960 k( 13) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0030960 k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0030960 k( 15) = ( 0.1590909 0.0000000 -0.0000000), wk = 0.0030960 k( 16) = ( 0.1704546 0.0000000 -0.0000000), wk = 0.0030960 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0030960 k( 18) = ( 0.1931818 0.0000000 -0.0000000), wk = 0.0030960 k( 19) = ( 0.2045454 0.0000000 -0.0000000), wk = 0.0030960 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0030960 k( 21) = ( 0.2272727 0.0000000 -0.0000000), wk = 0.0030960 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0030960 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0030960 k( 24) = ( 0.2613636 0.0000000 -0.0000000), wk = 0.0030960 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0030960 k( 26) = ( 0.2840909 0.0000000 -0.0000000), wk = 0.0030960 k( 27) = ( 0.2954545 0.0000000 -0.0000000), wk = 0.0030960 k( 28) = ( 0.3068182 0.0000000 -0.0000000), wk = 0.0030960 k( 29) = ( 0.3181818 0.0000000 -0.0000000), wk = 0.0030960 k( 30) = ( 0.3295455 0.0000000 -0.0000000), wk = 0.0030960 k( 31) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0030960 k( 32) = ( 0.3522727 0.0000000 -0.0000000), wk = 0.0030960 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0030960 k( 34) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0030960 k( 35) = ( 0.3863636 0.0000000 -0.0000000), wk = 0.0030960 k( 36) = ( 0.3977273 0.0000000 -0.0000000), wk = 0.0030960 k( 37) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0030960 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0030960 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0030960 k( 40) = ( 0.4431818 0.0000000 -0.0000000), wk = 0.0030960 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0030960 k( 42) = ( 0.4659091 0.0000000 -0.0000000), wk = 0.0030960 k( 43) = ( 0.4772727 0.0000000 -0.0000000), wk = 0.0030960 k( 44) = ( 0.4886364 0.0000000 -0.0000000), wk = 0.0030960 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 47) = ( 0.4935897 0.0128205 -0.0000000), wk = 0.0030960 k( 48) = ( 0.4871795 0.0256410 -0.0000000), wk = 0.0030960 k( 49) = ( 0.4807692 0.0384615 -0.0000000), wk = 0.0030960 k( 50) = ( 0.4743590 0.0512820 -0.0000000), wk = 0.0030960 k( 51) = ( 0.4679487 0.0641026 -0.0000000), wk = 0.0030960 k( 52) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0030960 k( 53) = ( 0.4551282 0.0897436 -0.0000000), wk = 0.0030960 k( 54) = ( 0.4487179 0.1025641 -0.0000000), wk = 0.0030960 k( 55) = ( 0.4423077 0.1153846 -0.0000000), wk = 0.0030960 k( 56) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0030960 k( 57) = ( 0.4294872 0.1410256 -0.0000000), wk = 0.0030960 k( 58) = ( 0.4230769 0.1538461 -0.0000000), wk = 0.0030960 k( 59) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0030960 k( 60) = ( 0.4102564 0.1794872 -0.0000000), wk = 0.0030960 k( 61) = ( 0.4038462 0.1923077 -0.0000000), wk = 0.0030960 k( 62) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0030960 k( 63) = ( 0.3910256 0.2179487 -0.0000000), wk = 0.0030960 k( 64) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0030960 k( 65) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0030960 k( 66) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0030960 k( 67) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0030960 k( 68) = ( 0.3589744 0.2820513 -0.0000000), wk = 0.0030960 k( 69) = ( 0.3525641 0.2948718 -0.0000000), wk = 0.0030960 k( 70) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0030960 k( 71) = ( 0.3397436 0.3205128 0.0000000), wk = 0.0030960 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030960 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030960 k( 74) = ( 0.3267974 0.3267974 0.0000000), wk = 0.0030960 k( 75) = ( 0.3202614 0.3202614 -0.0000000), wk = 0.0030960 k( 76) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0030960 k( 77) = ( 0.3071895 0.3071895 -0.0000000), wk = 0.0030960 k( 78) = ( 0.3006536 0.3006536 -0.0000000), wk = 0.0030960 k( 79) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0030960 k( 80) = ( 0.2875817 0.2875817 -0.0000000), wk = 0.0030960 k( 81) = ( 0.2810457 0.2810457 -0.0000000), wk = 0.0030960 k( 82) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0030960 k( 83) = ( 0.2679739 0.2679739 0.0000000), wk = 0.0030960 k( 84) = ( 0.2614379 0.2614379 0.0000000), wk = 0.0030960 k( 85) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0030960 k( 86) = ( 0.2483660 0.2483660 0.0000000), wk = 0.0030960 k( 87) = ( 0.2418301 0.2418301 -0.0000000), wk = 0.0030960 k( 88) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0030960 k( 89) = ( 0.2287582 0.2287582 -0.0000000), wk = 0.0030960 k( 90) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0030960 k( 91) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0030960 k( 92) = ( 0.2091503 0.2091503 -0.0000000), wk = 0.0030960 k( 93) = ( 0.2026144 0.2026144 -0.0000000), wk = 0.0030960 k( 94) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0030960 k( 95) = ( 0.1895425 0.1895425 0.0000000), wk = 0.0030960 k( 96) = ( 0.1830065 0.1830065 0.0000000), wk = 0.0030960 k( 97) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0030960 k( 98) = ( 0.1699346 0.1699346 -0.0000000), wk = 0.0030960 k( 99) = ( 0.1633987 0.1633987 -0.0000000), wk = 0.0030960 k( 100) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0030960 k( 101) = ( 0.1503268 0.1503268 0.0000000), wk = 0.0030960 k( 102) = ( 0.1437908 0.1437909 -0.0000000), wk = 0.0030960 k( 103) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0030960 k( 104) = ( 0.1307190 0.1307190 -0.0000000), wk = 0.0030960 k( 105) = ( 0.1241830 0.1241830 -0.0000000), wk = 0.0030960 k( 106) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0030960 k( 107) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0030960 k( 108) = ( 0.1045752 0.1045752 0.0000000), wk = 0.0030960 k( 109) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0030960 k( 110) = ( 0.0915033 0.0915033 0.0000000), wk = 0.0030960 k( 111) = ( 0.0849673 0.0849673 -0.0000000), wk = 0.0030960 k( 112) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0030960 k( 113) = ( 0.0718954 0.0718954 0.0000000), wk = 0.0030960 k( 114) = ( 0.0653595 0.0653595 0.0000000), wk = 0.0030960 k( 115) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0030960 k( 116) = ( 0.0522876 0.0522876 0.0000000), wk = 0.0030960 k( 117) = ( 0.0457516 0.0457516 -0.0000000), wk = 0.0030960 k( 118) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0030960 k( 119) = ( 0.0326797 0.0326797 0.0000000), wk = 0.0030960 k( 120) = ( 0.0261438 0.0261438 0.0000000), wk = 0.0030960 k( 121) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0030960 k( 122) = ( 0.0130719 0.0130719 -0.0000000), wk = 0.0030960 k( 123) = ( 0.0065359 0.0065359 -0.0000000), wk = 0.0030960 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 126) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0030960 k( 127) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0030960 k( 128) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0030960 k( 129) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030960 k( 130) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0030960 k( 131) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0030960 k( 132) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0030960 k( 133) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030960 k( 134) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0030960 k( 135) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0030960 k( 136) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0030960 k( 137) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030960 k( 138) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0030960 k( 139) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0030960 k( 140) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0030960 k( 141) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030960 k( 142) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0030960 k( 143) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0030960 k( 144) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0030960 k( 145) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030960 k( 146) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0030960 k( 147) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0030960 k( 148) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0030960 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 151) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0030960 k( 152) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0030960 k( 153) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0030960 k( 154) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0030960 k( 155) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0030960 k( 156) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0030960 k( 157) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0030960 k( 158) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0030960 k( 159) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0030960 k( 160) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0030960 k( 161) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0030960 k( 162) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0030960 k( 163) = ( 0.1477273 -0.0000000 0.5000000), wk = 0.0030960 k( 164) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0030960 k( 165) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0030960 k( 166) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0030960 k( 167) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0030960 k( 168) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0030960 k( 169) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0030960 k( 170) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0030960 k( 171) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0030960 k( 172) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0030960 k( 173) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0030960 k( 174) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0030960 k( 175) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0030960 k( 176) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0030960 k( 177) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0030960 k( 178) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0030960 k( 179) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0030960 k( 180) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0030960 k( 181) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0030960 k( 182) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0030960 k( 183) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0030960 k( 184) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0030960 k( 185) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0030960 k( 186) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0030960 k( 187) = ( 0.4204545 -0.0000000 0.5000000), wk = 0.0030960 k( 188) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0030960 k( 189) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0030960 k( 190) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0030960 k( 191) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0030960 k( 192) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0030960 k( 193) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0030960 k( 194) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030960 k( 195) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030960 k( 196) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0030960 k( 197) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0030960 k( 198) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0030960 k( 199) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0030960 k( 200) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0030960 k( 201) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0030960 k( 202) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0030960 k( 203) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0030960 k( 204) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0030960 k( 205) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0030960 k( 206) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0030960 k( 207) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0030960 k( 208) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0030960 k( 209) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0030960 k( 210) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0030960 k( 211) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0030960 k( 212) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0030960 k( 213) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0030960 k( 214) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0030960 k( 215) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0030960 k( 216) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0030960 k( 217) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0030960 k( 218) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0030960 k( 219) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0030960 k( 220) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0030960 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 k( 222) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 k( 223) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0030960 k( 224) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0030960 k( 225) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0030960 k( 226) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0030960 k( 227) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0030960 k( 228) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0030960 k( 229) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0030960 k( 230) = ( 0.2810457 0.2810457 0.5000000), wk = 0.0030960 k( 231) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0030960 k( 232) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0030960 k( 233) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0030960 k( 234) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0030960 k( 235) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0030960 k( 236) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0030960 k( 237) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0030960 k( 238) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0030960 k( 239) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0030960 k( 240) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0030960 k( 241) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0030960 k( 242) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0030960 k( 243) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0030960 k( 244) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0030960 k( 245) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0030960 k( 246) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0030960 k( 247) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0030960 k( 248) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0030960 k( 249) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0030960 k( 250) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0030960 k( 251) = ( 0.1437908 0.1437909 0.5000000), wk = 0.0030960 k( 252) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0030960 k( 253) = ( 0.1307190 0.1307190 0.5000000), wk = 0.0030960 k( 254) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0030960 k( 255) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0030960 k( 256) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0030960 k( 257) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0030960 k( 258) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0030960 k( 259) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0030960 k( 260) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0030960 k( 261) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0030960 k( 262) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0030960 k( 263) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0030960 k( 264) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0030960 k( 265) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0030960 k( 266) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0030960 k( 267) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0030960 k( 268) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0030960 k( 269) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0030960 k( 270) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0030960 k( 271) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0030960 k( 272) = ( 0.0065359 0.0065359 0.5000000), wk = 0.0030960 k( 273) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 274) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030960 k( 275) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0030960 k( 276) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0030960 k( 277) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0030960 k( 278) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0030960 k( 279) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0030960 k( 280) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0030960 k( 281) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0030960 k( 282) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0030960 k( 283) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0030960 k( 284) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0030960 k( 285) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0030960 k( 286) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0030960 k( 287) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0030960 k( 288) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0030960 k( 289) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0030960 k( 290) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0030960 k( 291) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0030960 k( 292) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0030960 k( 293) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0030960 k( 294) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0030960 k( 295) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0030960 k( 296) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0030960 k( 297) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0030960 k( 298) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 299) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030960 k( 300) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0030960 k( 301) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0030960 k( 302) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0030960 k( 303) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0030960 k( 304) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0030960 k( 305) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0030960 k( 306) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0030960 k( 307) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0030960 k( 308) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0030960 k( 309) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0030960 k( 310) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0030960 k( 311) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0030960 k( 312) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0030960 k( 313) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0030960 k( 314) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0030960 k( 315) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030960 k( 316) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0030960 k( 317) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0030960 k( 318) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0030960 k( 319) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0030960 k( 320) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0030960 k( 321) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0030960 k( 322) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0030960 k( 323) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 Dense grid: 97379 G-vectors FFT dimensions: ( 54, 54, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 520, 48) NL pseudopotentials 0.49 Mb ( 260, 124) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2024) G-vector shells 0.01 Mb ( 974) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.52 Mb ( 520, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.18 Mb ( 124, 2, 48) The potential is recalculated from file : ./LiGaGe.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.8 secs Computing kpt #: 2 total cpu time spent up to now is 44.8 secs Computing kpt #: 3 total cpu time spent up to now is 46.8 secs Computing kpt #: 4 total cpu time spent up to now is 48.9 secs Computing kpt #: 5 total cpu time spent up to now is 50.8 secs Computing kpt #: 6 total cpu time spent up to now is 52.9 secs Computing kpt #: 7 total cpu time spent up to now is 55.0 secs Computing kpt #: 8 total cpu time spent up to now is 56.9 secs Computing kpt #: 9 total cpu time spent up to now is 59.1 secs Computing kpt #: 10 total cpu time spent up to now is 62.1 secs Computing kpt #: 11 total cpu time spent up to now is 66.6 secs Computing kpt #: 12 total cpu time spent up to now is 69.0 secs Computing kpt #: 13 total cpu time spent up to now is 71.5 secs Computing kpt #: 14 total cpu time spent up to now is 73.8 secs Computing kpt #: 15 total cpu time spent up to now is 76.3 secs Computing kpt #: 16 total cpu time spent up to now is 78.6 secs Computing kpt #: 17 total cpu time spent up to now is 81.1 secs Computing kpt #: 18 total cpu time spent up to now is 83.4 secs Computing kpt #: 19 total cpu time spent up to now is 85.5 secs Computing kpt #: 20 total cpu time spent up to now is 87.5 secs Computing kpt #: 21 total cpu time spent up to now is 89.7 secs Computing kpt #: 22 total cpu time spent up to now is 91.8 secs Computing kpt #: 23 total cpu time spent up to now is 93.7 secs Computing kpt #: 24 total cpu time spent up to now is 95.7 secs Computing kpt #: 25 total cpu time spent up to now is 97.8 secs Computing kpt #: 26 total cpu time spent up to now is 100.0 secs Computing kpt #: 27 total cpu time spent up to now is 102.3 secs Computing kpt #: 28 total cpu time spent up to now is 104.4 secs Computing kpt #: 29 total cpu time spent up to now is 106.6 secs Computing kpt #: 30 total cpu time spent up to now is 108.8 secs Computing kpt #: 31 total cpu time spent up to now is 111.1 secs Computing kpt #: 32 total cpu time spent up to now is 113.4 secs Computing kpt #: 33 total cpu time spent up to now is 115.6 secs Computing kpt #: 34 total cpu time spent up to now is 117.8 secs Computing kpt #: 35 total cpu time spent up to now is 119.9 secs Computing kpt #: 36 total cpu time spent up to now is 122.0 secs Computing kpt #: 37 total cpu time spent up to now is 124.2 secs Computing kpt #: 38 total cpu time spent up to now is 126.4 secs Computing kpt #: 39 total cpu time spent up to now is 128.6 secs Computing kpt #: 40 total cpu time spent up to now is 130.7 secs Computing kpt #: 41 total cpu time spent up to now is 132.8 secs Computing kpt #: 42 total cpu time spent up to now is 135.1 secs Computing kpt #: 43 total cpu time spent up to now is 137.3 secs Computing kpt #: 44 total cpu time spent up to now is 139.5 secs Computing kpt #: 45 total cpu time spent up to now is 141.6 secs Computing kpt #: 46 total cpu time spent up to now is 143.7 secs Computing kpt #: 47 total cpu time spent up to now is 145.7 secs Computing kpt #: 48 total cpu time spent up to now is 148.0 secs Computing kpt #: 49 total cpu time spent up to now is 150.3 secs Computing kpt #: 50 total cpu time spent up to now is 152.4 secs Computing kpt #: 51 total cpu time spent up to now is 154.7 secs Computing kpt #: 52 total cpu time spent up to now is 156.9 secs Computing kpt #: 53 total cpu time spent up to now is 159.2 secs Computing kpt #: 54 total cpu time spent up to now is 161.4 secs Computing kpt #: 55 total cpu time spent up to now is 163.5 secs Computing kpt #: 56 total cpu time spent up to now is 166.9 secs Computing kpt #: 57 total cpu time spent up to now is 169.4 secs Computing kpt #: 58 total cpu time spent up to now is 171.6 secs Computing kpt #: 59 total cpu time spent up to now is 173.7 secs Computing kpt #: 60 total cpu time spent up to now is 175.8 secs Computing kpt #: 61 total cpu time spent up to now is 178.1 secs Computing kpt #: 62 total cpu time spent up to now is 180.3 secs Computing kpt #: 63 total cpu time spent up to now is 182.7 secs Computing kpt #: 64 total cpu time spent up to now is 185.0 secs Computing kpt #: 65 total cpu time spent up to now is 187.4 secs Computing kpt #: 66 total cpu time spent up to now is 189.8 secs Computing kpt #: 67 total cpu time spent up to now is 192.1 secs Computing kpt #: 68 total cpu time spent up to now is 195.0 secs Computing kpt #: 69 total cpu time spent up to now is 197.9 secs Computing kpt #: 70 total cpu time spent up to now is 200.2 secs Computing kpt #: 71 total cpu time spent up to now is 203.2 secs Computing kpt #: 72 total cpu time spent up to now is 206.6 secs Computing kpt #: 73 total cpu time spent up to now is 210.2 secs Computing kpt #: 74 total cpu time spent up to now is 213.3 secs Computing kpt #: 75 total cpu time spent up to now is 216.3 secs Computing kpt #: 76 total cpu time spent up to now is 218.6 secs Computing kpt #: 77 total cpu time spent up to now is 221.1 secs Computing kpt #: 78 total cpu time spent up to now is 223.3 secs Computing kpt #: 79 total cpu time spent up to now is 225.6 secs Computing kpt #: 80 total cpu time spent up to now is 227.8 secs Computing kpt #: 81 total cpu time spent up to now is 229.9 secs Computing kpt #: 82 total cpu time spent up to now is 232.1 secs Computing kpt #: 83 total cpu time spent up to now is 234.3 secs Computing kpt #: 84 total cpu time spent up to now is 236.9 secs Computing kpt #: 85 total cpu time spent up to now is 239.1 secs Computing kpt #: 86 total cpu time spent up to now is 241.4 secs Computing kpt #: 87 total cpu time spent up to now is 243.6 secs Computing kpt #: 88 total cpu time spent up to now is 245.5 secs Computing kpt #: 89 total cpu time spent up to now is 247.7 secs Computing kpt #: 90 total cpu time spent up to now is 249.6 secs Computing kpt #: 91 total cpu time spent up to now is 251.8 secs Computing kpt #: 92 total cpu time spent up to now is 254.0 secs Computing kpt #: 93 total cpu time spent up to now is 256.6 secs Computing kpt #: 94 total cpu time spent up to now is 259.1 secs Computing kpt #: 95 total cpu time spent up to now is 261.1 secs Computing kpt #: 96 total cpu time spent up to now is 263.3 secs Computing kpt #: 97 total cpu time spent up to now is 265.3 secs Computing kpt #: 98 total cpu time spent up to now is 267.4 secs Computing kpt #: 99 total cpu time spent up to now is 270.0 secs Computing kpt #: 100 total cpu time spent up to now is 272.4 secs Computing kpt #: 101 total cpu time spent up to now is 274.6 secs Computing kpt #: 102 total cpu time spent up to now is 277.1 secs Computing kpt #: 103 total cpu time spent up to now is 279.2 secs Computing kpt #: 104 total cpu time spent up to now is 281.4 secs Computing kpt #: 105 total cpu time spent up to now is 283.5 secs Computing kpt #: 106 total cpu time spent up to now is 285.4 secs Computing kpt #: 107 total cpu time spent up to now is 287.8 secs Computing kpt #: 108 total cpu time spent up to now is 290.2 secs Computing kpt #: 109 total cpu time spent up to now is 292.2 secs Computing kpt #: 110 total cpu time spent up to now is 294.2 secs Computing kpt #: 111 total cpu time spent up to now is 296.2 secs Computing kpt #: 112 total cpu time spent up to now is 298.2 secs Computing kpt #: 113 total cpu time spent up to now is 300.2 secs Computing kpt #: 114 total cpu time spent up to now is 302.3 secs Computing kpt #: 115 total cpu time spent up to now is 304.4 secs Computing kpt #: 116 total cpu time spent up to now is 306.5 secs Computing kpt #: 117 total cpu time spent up to now is 308.6 secs Computing kpt #: 118 total cpu time spent up to now is 310.6 secs Computing kpt #: 119 total cpu time spent up to now is 312.5 secs Computing kpt #: 120 total cpu time spent up to now is 314.5 secs Computing kpt #: 121 total cpu time spent up to now is 316.5 secs Computing kpt #: 122 total cpu time spent up to now is 318.5 secs Computing kpt #: 123 total cpu time spent up to now is 320.4 secs Computing kpt #: 124 total cpu time spent up to now is 322.4 secs Computing kpt #: 125 total cpu time spent up to now is 324.3 secs Computing kpt #: 126 total cpu time spent up to now is 326.2 secs Computing kpt #: 127 total cpu time spent up to now is 328.2 secs Computing kpt #: 128 total cpu time spent up to now is 330.2 secs Computing kpt #: 129 total cpu time spent up to now is 332.2 secs Computing kpt #: 130 total cpu time spent up to now is 334.1 secs Computing kpt #: 131 total cpu time spent up to now is 336.0 secs Computing kpt #: 132 total cpu time spent up to now is 337.9 secs Computing kpt #: 133 total cpu time spent up to now is 339.8 secs Computing kpt #: 134 total cpu time spent up to now is 341.7 secs Computing kpt #: 135 total cpu time spent up to now is 343.6 secs Computing kpt #: 136 total cpu time spent up to now is 345.6 secs Computing kpt #: 137 total cpu time spent up to now is 347.6 secs Computing kpt #: 138 total cpu time spent up to now is 349.8 secs Computing kpt #: 139 total cpu time spent up to now is 351.6 secs Computing kpt #: 140 total cpu time spent up to now is 353.7 secs Computing kpt #: 141 total cpu time spent up to now is 355.6 secs Computing kpt #: 142 total cpu time spent up to now is 357.5 secs Computing kpt #: 143 total cpu time spent up to now is 359.5 secs Computing kpt #: 144 total cpu time spent up to now is 362.4 secs Computing kpt #: 145 total cpu time spent up to now is 364.6 secs Computing kpt #: 146 total cpu time spent up to now is 366.5 secs Computing kpt #: 147 total cpu time spent up to now is 368.5 secs Computing kpt #: 148 total cpu time spent up to now is 370.9 secs Computing kpt #: 149 total cpu time spent up to now is 373.3 secs Computing kpt #: 150 total cpu time spent up to now is 375.4 secs Computing kpt #: 151 total cpu time spent up to now is 377.6 secs Computing kpt #: 152 total cpu time spent up to now is 379.8 secs Computing kpt #: 153 total cpu time spent up to now is 382.2 secs Computing kpt #: 154 total cpu time spent up to now is 384.4 secs Computing kpt #: 155 total cpu time spent up to now is 386.4 secs Computing kpt #: 156 total cpu time spent up to now is 388.8 secs Computing kpt #: 157 total cpu time spent up to now is 391.8 secs Computing kpt #: 158 total cpu time spent up to now is 394.0 secs Computing kpt #: 159 total cpu time spent up to now is 396.2 secs Computing kpt #: 160 total cpu time spent up to now is 398.6 secs Computing kpt #: 161 total cpu time spent up to now is 401.0 secs Computing kpt #: 162 total cpu time spent up to now is 403.3 secs Computing kpt #: 163 total cpu time spent up to now is 405.6 secs Computing kpt #: 164 total cpu time spent up to now is 407.8 secs Computing kpt #: 165 total cpu time spent up to now is 410.2 secs Computing kpt #: 166 total cpu time spent up to now is 412.5 secs Computing kpt #: 167 total cpu time spent up to now is 414.7 secs Computing kpt #: 168 total cpu time spent up to now is 416.9 secs Computing kpt #: 169 total cpu time spent up to now is 419.2 secs Computing kpt #: 170 total cpu time spent up to now is 421.7 secs Computing kpt #: 171 total cpu time spent up to now is 424.0 secs Computing kpt #: 172 total cpu time spent up to now is 426.2 secs Computing kpt #: 173 total cpu time spent up to now is 428.1 secs Computing kpt #: 174 total cpu time spent up to now is 430.0 secs Computing kpt #: 175 total cpu time spent up to now is 431.9 secs Computing kpt #: 176 total cpu time spent up to now is 433.8 secs Computing kpt #: 177 total cpu time spent up to now is 435.6 secs Computing kpt #: 178 total cpu time spent up to now is 437.6 secs Computing kpt #: 179 total cpu time spent up to now is 439.4 secs Computing kpt #: 180 total cpu time spent up to now is 441.3 secs Computing kpt #: 181 total cpu time spent up to now is 443.2 secs Computing kpt #: 182 total cpu time spent up to now is 445.3 secs Computing kpt #: 183 total cpu time spent up to now is 447.1 secs Computing kpt #: 184 total cpu time spent up to now is 448.8 secs Computing kpt #: 185 total cpu time spent up to now is 450.7 secs Computing kpt #: 186 total cpu time spent up to now is 452.5 secs Computing kpt #: 187 total cpu time spent up to now is 454.3 secs Computing kpt #: 188 total cpu time spent up to now is 456.8 secs Computing kpt #: 189 total cpu time spent up to now is 458.5 secs Computing kpt #: 190 total cpu time spent up to now is 460.4 secs Computing kpt #: 191 total cpu time spent up to now is 462.2 secs Computing kpt #: 192 total cpu time spent up to now is 463.9 secs Computing kpt #: 193 total cpu time spent up to now is 465.7 secs Computing kpt #: 194 total cpu time spent up to now is 467.5 secs Computing kpt #: 195 total cpu time spent up to now is 469.3 secs Computing kpt #: 196 total cpu time spent up to now is 471.1 secs Computing kpt #: 197 total cpu time spent up to now is 472.9 secs Computing kpt #: 198 total cpu time spent up to now is 474.7 secs Computing kpt #: 199 total cpu time spent up to now is 476.4 secs Computing kpt #: 200 total cpu time spent up to now is 478.3 secs Computing kpt #: 201 total cpu time spent up to now is 480.1 secs Computing kpt #: 202 total cpu time spent up to now is 481.9 secs Computing kpt #: 203 total cpu time spent up to now is 483.9 secs Computing kpt #: 204 total cpu time spent up to now is 486.0 secs Computing kpt #: 205 total cpu time spent up to now is 488.4 secs Computing kpt #: 206 total cpu time spent up to now is 490.4 secs Computing kpt #: 207 total cpu time spent up to now is 492.4 secs Computing kpt #: 208 total cpu time spent up to now is 494.3 secs Computing kpt #: 209 total cpu time spent up to now is 496.1 secs Computing kpt #: 210 total cpu time spent up to now is 498.2 secs Computing kpt #: 211 total cpu time spent up to now is 500.4 secs Computing kpt #: 212 total cpu time spent up to now is 502.7 secs Computing kpt #: 213 total cpu time spent up to now is 504.9 secs Computing kpt #: 214 total cpu time spent up to now is 507.1 secs Computing kpt #: 215 total cpu time spent up to now is 509.4 secs Computing kpt #: 216 total cpu time spent up to now is 511.6 secs Computing kpt #: 217 total cpu time spent up to now is 513.7 secs Computing kpt #: 218 total cpu time spent up to now is 515.8 secs Computing kpt #: 219 total cpu time spent up to now is 517.6 secs Computing kpt #: 220 total cpu time spent up to now is 519.6 secs Computing kpt #: 221 total cpu time spent up to now is 522.2 secs Computing kpt #: 222 total cpu time spent up to now is 524.4 secs Computing kpt #: 223 total cpu time spent up to now is 526.2 secs Computing kpt #: 224 total cpu time spent up to now is 528.0 secs Computing kpt #: 225 total cpu time spent up to now is 530.1 secs Computing kpt #: 226 total cpu time spent up to now is 532.6 secs Computing kpt #: 227 total cpu time spent up to now is 534.8 secs Computing kpt #: 228 total cpu time spent up to now is 537.0 secs Computing kpt #: 229 total cpu time spent up to now is 539.1 secs Computing kpt #: 230 total cpu time spent up to now is 541.4 secs Computing kpt #: 231 total cpu time spent up to now is 543.5 secs Computing kpt #: 232 total cpu time spent up to now is 546.0 secs Computing kpt #: 233 total cpu time spent up to now is 548.2 secs Computing kpt #: 234 total cpu time spent up to now is 550.6 secs Computing kpt #: 235 total cpu time spent up to now is 552.8 secs Computing kpt #: 236 total cpu time spent up to now is 555.1 secs Computing kpt #: 237 total cpu time spent up to now is 557.3 secs Computing kpt #: 238 total cpu time spent up to now is 559.5 secs Computing kpt #: 239 total cpu time spent up to now is 561.6 secs Computing kpt #: 240 total cpu time spent up to now is 563.8 secs Computing kpt #: 241 total cpu time spent up to now is 565.9 secs Computing kpt #: 242 total cpu time spent up to now is 568.3 secs Computing kpt #: 243 total cpu time spent up to now is 570.3 secs Computing kpt #: 244 total cpu time spent up to now is 572.5 secs Computing kpt #: 245 total cpu time spent up to now is 574.9 secs Computing kpt #: 246 total cpu time spent up to now is 576.9 secs Computing kpt #: 247 total cpu time spent up to now is 579.1 secs Computing kpt #: 248 total cpu time spent up to now is 581.1 secs Computing kpt #: 249 total cpu time spent up to now is 583.1 secs Computing kpt #: 250 total cpu time spent up to now is 585.0 secs Computing kpt #: 251 total cpu time spent up to now is 587.0 secs Computing kpt #: 252 total cpu time spent up to now is 589.0 secs Computing kpt #: 253 total cpu time spent up to now is 591.1 secs Computing kpt #: 254 total cpu time spent up to now is 593.1 secs Computing kpt #: 255 total cpu time spent up to now is 595.1 secs Computing kpt #: 256 total cpu time spent up to now is 597.0 secs Computing kpt #: 257 total cpu time spent up to now is 599.0 secs Computing kpt #: 258 total cpu time spent up to now is 601.0 secs Computing kpt #: 259 total cpu time spent up to now is 603.2 secs Computing kpt #: 260 total cpu time spent up to now is 605.3 secs Computing kpt #: 261 total cpu time spent up to now is 607.3 secs Computing kpt #: 262 total cpu time spent up to now is 609.3 secs Computing kpt #: 263 total cpu time spent up to now is 611.7 secs Computing kpt #: 264 total cpu time spent up to now is 614.0 secs Computing kpt #: 265 total cpu time spent up to now is 616.3 secs Computing kpt #: 266 total cpu time spent up to now is 618.7 secs Computing kpt #: 267 total cpu time spent up to now is 620.9 secs Computing kpt #: 268 total cpu time spent up to now is 623.2 secs Computing kpt #: 269 total cpu time spent up to now is 625.3 secs Computing kpt #: 270 total cpu time spent up to now is 627.5 secs Computing kpt #: 271 total cpu time spent up to now is 629.8 secs Computing kpt #: 272 total cpu time spent up to now is 632.0 secs Computing kpt #: 273 total cpu time spent up to now is 634.3 secs Computing kpt #: 274 total cpu time spent up to now is 636.1 secs Computing kpt #: 275 total cpu time spent up to now is 637.8 secs Computing kpt #: 276 total cpu time spent up to now is 639.9 secs Computing kpt #: 277 total cpu time spent up to now is 641.6 secs Computing kpt #: 278 total cpu time spent up to now is 643.4 secs Computing kpt #: 279 total cpu time spent up to now is 645.3 secs Computing kpt #: 280 total cpu time spent up to now is 647.1 secs Computing kpt #: 281 total cpu time spent up to now is 648.9 secs Computing kpt #: 282 total cpu time spent up to now is 650.9 secs Computing kpt #: 283 total cpu time spent up to now is 652.9 secs Computing kpt #: 284 total cpu time spent up to now is 654.7 secs Computing kpt #: 285 total cpu time spent up to now is 656.6 secs Computing kpt #: 286 total cpu time spent up to now is 658.8 secs Computing kpt #: 287 total cpu time spent up to now is 661.9 secs Computing kpt #: 288 total cpu time spent up to now is 665.7 secs Computing kpt #: 289 total cpu time spent up to now is 668.2 secs Computing kpt #: 290 total cpu time spent up to now is 670.2 secs Computing kpt #: 291 total cpu time spent up to now is 672.1 secs Computing kpt #: 292 total cpu time spent up to now is 673.9 secs Computing kpt #: 293 total cpu time spent up to now is 675.8 secs Computing kpt #: 294 total cpu time spent up to now is 677.7 secs Computing kpt #: 295 total cpu time spent up to now is 679.5 secs Computing kpt #: 296 total cpu time spent up to now is 681.5 secs Computing kpt #: 297 total cpu time spent up to now is 683.6 secs Computing kpt #: 298 total cpu time spent up to now is 685.7 secs Computing kpt #: 299 total cpu time spent up to now is 689.1 secs Computing kpt #: 300 total cpu time spent up to now is 692.6 secs Computing kpt #: 301 total cpu time spent up to now is 695.7 secs Computing kpt #: 302 total cpu time spent up to now is 698.7 secs Computing kpt #: 303 total cpu time spent up to now is 701.6 secs Computing kpt #: 304 total cpu time spent up to now is 704.4 secs Computing kpt #: 305 total cpu time spent up to now is 707.6 secs Computing kpt #: 306 total cpu time spent up to now is 710.4 secs Computing kpt #: 307 total cpu time spent up to now is 712.8 secs Computing kpt #: 308 total cpu time spent up to now is 715.1 secs Computing kpt #: 309 total cpu time spent up to now is 717.6 secs Computing kpt #: 310 total cpu time spent up to now is 720.4 secs Computing kpt #: 311 total cpu time spent up to now is 723.2 secs Computing kpt #: 312 total cpu time spent up to now is 725.9 secs Computing kpt #: 313 total cpu time spent up to now is 729.0 secs Computing kpt #: 314 total cpu time spent up to now is 732.1 secs Computing kpt #: 315 total cpu time spent up to now is 734.6 secs Computing kpt #: 316 total cpu time spent up to now is 737.3 secs Computing kpt #: 317 total cpu time spent up to now is 739.7 secs Computing kpt #: 318 total cpu time spent up to now is 741.8 secs Computing kpt #: 319 total cpu time spent up to now is 744.1 secs Computing kpt #: 320 total cpu time spent up to now is 746.2 secs Computing kpt #: 321 total cpu time spent up to now is 748.0 secs Computing kpt #: 322 total cpu time spent up to now is 750.1 secs Computing kpt #: 323 total cpu time spent up to now is 752.0 secs ethr = 2.50E-11, avg # of iterations = 21.7 total cpu time spent up to now is 752.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12263 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1244 -8.1244 -8.1205 -8.1205 -8.1171 -8.1171 -8.1149 -8.1149 -7.6830 -7.6830 -7.6829 -7.6829 -7.6557 -7.6557 -7.6498 -7.6498 -7.6489 -7.6489 -7.6365 -7.6365 -4.2512 -4.2512 -2.4193 -2.4193 0.8089 0.8089 6.1317 6.1317 6.2842 6.2842 7.4160 7.4160 7.5456 7.5456 7.7383 7.7383 7.7556 7.7556 8.0148 8.0148 8.6679 8.6679 8.7596 8.7596 k = 0.0114 0.0066-0.0000 ( 12255 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1244 -8.1244 -8.1205 -8.1205 -8.1176 -8.1165 -8.1149 -8.1148 -7.6839 -7.6830 -7.6829 -7.6821 -7.6560 -7.6554 -7.6498 -7.6498 -7.6489 -7.6488 -7.6365 -7.6365 -4.2500 -4.2500 -2.4180 -2.4180 0.8089 0.8096 6.1134 6.1169 6.2668 6.2671 7.4380 7.4412 7.4841 7.5489 7.6494 7.7093 7.8005 7.8468 8.0039 8.0305 8.6668 8.6841 8.7661 8.7668 k = 0.0227 0.0131-0.0000 ( 12253 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1244 -8.1244 -8.1207 -8.1206 -8.1179 -8.1159 -8.1150 -8.1147 -7.6847 -7.6830 -7.6829 -7.6812 -7.6562 -7.6551 -7.6498 -7.6498 -7.6489 -7.6487 -7.6365 -7.6365 -4.2462 -4.2462 -2.4142 -2.4142 0.8098 0.8112 6.0574 6.0645 6.2259 6.2272 7.3833 7.4463 7.5038 7.5122 7.6243 7.6837 7.8361 7.9064 8.0230 8.0588 8.6815 8.7106 8.7851 8.7900 k = 0.0341 0.0197-0.0000 ( 12235 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1244 -8.1243 -8.1211 -8.1207 -8.1180 -8.1152 -8.1150 -8.1146 -7.6856 -7.6830 -7.6828 -7.6803 -7.6564 -7.6548 -7.6499 -7.6498 -7.6489 -7.6486 -7.6365 -7.6365 -4.2400 -4.2400 -2.4079 -2.4078 0.8115 0.8135 5.9613 5.9708 6.1797 6.1818 7.2607 7.3102 7.5932 7.6000 7.6190 7.6646 7.8420 7.8946 8.0996 8.1102 8.7101 8.7427 8.8158 8.8303 k = 0.0455 0.0262-0.0000 ( 12230 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1244 -8.1243 -8.1215 -8.1209 -8.1180 -8.1151 -8.1145 -8.1144 -7.6864 -7.6830 -7.6827 -7.6794 -7.6565 -7.6545 -7.6499 -7.6499 -7.6489 -7.6485 -7.6366 -7.6366 -4.2313 -4.2312 -2.3990 -2.3989 0.8139 0.8167 5.8351 5.8457 6.1323 6.1344 7.1229 7.1600 7.6078 7.6430 7.6921 7.6962 7.8269 7.8609 8.1814 8.1911 8.7501 8.7798 8.8577 8.8842 k = 0.0568 0.0328-0.0000 ( 12214 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1244 -8.1243 -8.1219 -8.1210 -8.1180 -8.1151 -8.1144 -8.1136 -7.6872 -7.6830 -7.6827 -7.6785 -7.6567 -7.6542 -7.6500 -7.6499 -7.6488 -7.6484 -7.6366 -7.6366 -4.2200 -4.2200 -2.3876 -2.3875 0.8169 0.8205 5.6908 5.7020 6.0813 6.0831 6.9745 7.0024 7.5906 7.6195 7.7518 7.7571 7.8332 7.8492 8.2664 8.2848 8.7997 8.8236 8.9100 8.9471 k = 0.0682 0.0394-0.0000 ( 12216 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1245 -8.1243 -8.1224 -8.1212 -8.1178 -8.1151 -8.1142 -8.1128 -7.6880 -7.6829 -7.6826 -7.6776 -7.6568 -7.6538 -7.6500 -7.6499 -7.6488 -7.6482 -7.6367 -7.6367 -4.2063 -4.2063 -2.3737 -2.3735 0.8206 0.8249 5.5362 5.5477 6.0257 6.0272 6.8184 6.8393 7.5651 7.5888 7.7252 7.7335 7.9018 7.9134 8.3618 8.3797 8.8579 8.8752 8.9723 9.0166 k = 0.0795 0.0459-0.0000 ( 12206 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1247 -8.1242 -8.1227 -8.1214 -8.1177 -8.1151 -8.1141 -8.1121 -7.6888 -7.6829 -7.6825 -7.6767 -7.6568 -7.6535 -7.6501 -7.6499 -7.6487 -7.6480 -7.6367 -7.6367 -4.1902 -4.1901 -2.3572 -2.3571 0.8248 0.8298 5.3760 5.3877 5.9656 5.9669 6.6565 6.6721 7.5307 7.5500 7.6798 7.6848 7.9696 7.9870 8.4628 8.4740 8.9239 8.9344 9.0460 9.0932 k = 0.0909 0.0525-0.0000 ( 12208 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1250 -8.1242 -8.1229 -8.1215 -8.1175 -8.1152 -8.1139 -8.1113 -7.6895 -7.6829 -7.6823 -7.6758 -7.6569 -7.6533 -7.6502 -7.6498 -7.6486 -7.6478 -7.6368 -7.6368 -4.1715 -4.1714 -2.3383 -2.3382 0.8293 0.8351 5.2130 5.2248 5.9018 5.9029 6.4902 6.5017 7.4875 7.5025 7.6298 7.6326 8.0250 8.0487 8.5625 8.5634 8.9960 9.0006 9.1334 9.1790 k = 0.1023 0.0590-0.0000 ( 12202 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1254 -8.1242 -8.1230 -8.1217 -8.1173 -8.1152 -8.1137 -8.1105 -7.6902 -7.6829 -7.6822 -7.6750 -7.6568 -7.6530 -7.6503 -7.6497 -7.6484 -7.6476 -7.6369 -7.6368 -4.1504 -4.1503 -2.3169 -2.3168 0.8340 0.8406 5.0491 5.0612 5.8351 5.8359 6.3204 6.3288 7.4359 7.4468 7.5779 7.5798 8.0687 8.0975 8.6428 8.6530 9.0722 9.0726 9.2368 9.2767 k = 0.1136 0.0656-0.0000 ( 12202 PWs) bands (ev): -39.8675 -39.8675 -39.8656 -39.8656 -8.1258 -8.1241 -8.1231 -8.1218 -8.1171 -8.1152 -8.1134 -8.1097 -7.6909 -7.6829 -7.6820 -7.6742 -7.6568 -7.6528 -7.6504 -7.6495 -7.6483 -7.6474 -7.6369 -7.6369 -4.1268 -4.1268 -2.2930 -2.2930 0.8387 0.8462 4.8858 4.8980 5.7662 5.7668 6.1483 6.1541 7.3770 7.3841 7.5249 7.5266 8.1026 8.1348 8.7091 8.7289 9.1489 9.1509 9.3553 9.3868 k = 0.1250 0.0722-0.0000 ( 12202 PWs) bands (ev): -39.8675 -39.8675 -39.8656 -39.8656 -8.1263 -8.1240 -8.1231 -8.1219 -8.1170 -8.1153 -8.1132 -8.1090 -7.6915 -7.6829 -7.6818 -7.6734 -7.6567 -7.6527 -7.6505 -7.6493 -7.6481 -7.6471 -7.6370 -7.6370 -4.1009 -4.1008 -2.2667 -2.2667 0.8433 0.8517 4.7240 4.7365 5.6958 5.6962 5.9743 5.9783 7.3120 7.3160 7.4708 7.4727 8.1283 8.1624 8.7620 8.7885 9.2282 9.2310 9.4844 9.5063 k = 0.1364 0.0787-0.0000 ( 12188 PWs) bands (ev): -39.8675 -39.8675 -39.8656 -39.8656 -8.1267 -8.1240 -8.1230 -8.1221 -8.1168 -8.1153 -8.1129 -8.1082 -7.6921 -7.6829 -7.6817 -7.6727 -7.6566 -7.6526 -7.6506 -7.6491 -7.6479 -7.6469 -7.6371 -7.6371 -4.0725 -4.0724 -2.2381 -2.2380 0.8474 0.8567 4.5647 4.5775 5.6245 5.6246 5.7992 5.8018 7.2423 7.2436 7.4156 7.4178 8.1470 8.1815 8.8024 8.8324 9.3086 9.3113 9.6167 9.6277 k = 0.1477 0.0853-0.0000 ( 12182 PWs) bands (ev): -39.8675 -39.8675 -39.8656 -39.8656 -8.1272 -8.1239 -8.1229 -8.1222 -8.1166 -8.1153 -8.1126 -8.1075 -7.6926 -7.6829 -7.6815 -7.6720 -7.6565 -7.6526 -7.6507 -7.6487 -7.6477 -7.6466 -7.6371 -7.6371 -4.0417 -4.0416 -2.2072 -2.2070 0.8508 0.8610 4.4086 4.4217 5.5513 5.5526 5.6238 5.6263 7.1680 7.1687 7.3595 7.3619 8.1594 8.1933 8.8319 8.8629 9.3885 9.3908 9.7375 9.7406 k = 0.1591 0.0919-0.0000 ( 12184 PWs) bands (ev): -39.8675 -39.8675 -39.8656 -39.8656 -8.1276 -8.1239 -8.1228 -8.1223 -8.1165 -8.1154 -8.1123 -8.1068 -7.6931 -7.6829 -7.6812 -7.6714 -7.6563 -7.6527 -7.6508 -7.6484 -7.6475 -7.6463 -7.6372 -7.6372 -4.0085 -4.0085 -2.1739 -2.1737 0.8531 0.8644 4.2565 4.2699 5.4406 5.4448 5.4842 5.4882 7.0897 7.0921 7.3026 7.3051 8.1658 8.1985 8.8515 8.8817 9.4661 9.4678 9.8142 9.8341 k = 0.1705 0.0984-0.0000 ( 12188 PWs) bands (ev): -39.8675 -39.8675 -39.8656 -39.8656 -8.1280 -8.1238 -8.1227 -8.1224 -8.1163 -8.1154 -8.1120 -8.1061 -7.6936 -7.6829 -7.6810 -7.6708 -7.6561 -7.6527 -7.6509 -7.6480 -7.6473 -7.6460 -7.6373 -7.6372 -3.9731 -3.9730 -2.1385 -2.1381 0.8539 0.8663 4.1090 4.1228 5.2670 5.2699 5.4121 5.4138 7.0092 7.0129 7.2452 7.2478 8.1668 8.1976 8.8619 8.8901 9.5398 9.5407 9.8443 9.8725 k = 0.1818 0.1050-0.0000 ( 12184 PWs) bands (ev): -39.8675 -39.8675 -39.8655 -39.8655 -8.1284 -8.1238 -8.1226 -8.1225 -8.1162 -8.1154 -8.1117 -8.1055 -7.6940 -7.6829 -7.6808 -7.6702 -7.6559 -7.6528 -7.6509 -7.6476 -7.6470 -7.6457 -7.6373 -7.6372 -3.9353 -3.9352 -2.1009 -2.1003 0.8529 0.8664 3.9668 3.9811 5.0909 5.0943 5.3421 5.3433 6.9269 6.9315 7.1876 7.1903 8.1625 8.1911 8.8636 8.8891 9.6078 9.6079 9.8446 9.8725 k = 0.1932 0.1115-0.0000 ( 12192 PWs) bands (ev): -39.8675 -39.8675 -39.8655 -39.8655 -8.1288 -8.1237 -8.1226 -8.1225 -8.1160 -8.1154 -8.1113 -8.1049 -7.6944 -7.6830 -7.6805 -7.6698 -7.6557 -7.6529 -7.6510 -7.6472 -7.6467 -7.6454 -7.6373 -7.6372 -3.8952 -3.8952 -2.0611 -2.0604 0.8496 0.8642 3.8307 3.8454 4.9153 4.9192 5.2733 5.2743 6.8429 6.8483 7.1301 7.1328 8.1533 8.1795 8.8568 8.8794 9.6677 9.6687 9.8367 9.8633 k = 0.2045 0.1181-0.0000 ( 12188 PWs) bands (ev): -39.8675 -39.8675 -39.8655 -39.8655 -8.1291 -8.1237 -8.1226 -8.1224 -8.1159 -8.1155 -8.1109 -8.1043 -7.6947 -7.6831 -7.6802 -7.6693 -7.6555 -7.6531 -7.6510 -7.6468 -7.6463 -7.6451 -7.6374 -7.6372 -3.8529 -3.8528 -2.0194 -2.0185 0.8435 0.8593 3.7013 3.7165 4.7404 4.7450 5.2059 5.2067 6.7576 6.7636 7.0730 7.0757 8.1395 8.1632 8.8421 8.8617 9.7186 9.7209 9.8315 9.8581 k = 0.2159 0.1247-0.0000 ( 12188 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1294 -8.1237 -8.1226 -8.1223 -8.1158 -8.1155 -8.1106 -8.1037 -7.6950 -7.6832 -7.6799 -7.6690 -7.6553 -7.6532 -7.6510 -7.6464 -7.6460 -7.6448 -7.6374 -7.6371 -3.8084 -3.8083 -1.9758 -1.9747 0.8341 0.8510 3.5794 3.5950 4.5668 4.5720 5.1401 5.1409 6.6711 6.6776 7.0166 7.0192 8.1214 8.1427 8.8202 8.8371 9.7596 9.7627 9.8344 9.8614 k = 0.2273 0.1312-0.0000 ( 12190 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1297 -8.1238 -8.1226 -8.1221 -8.1157 -8.1155 -8.1102 -8.1032 -7.6953 -7.6833 -7.6797 -7.6687 -7.6552 -7.6533 -7.6510 -7.6461 -7.6456 -7.6446 -7.6374 -7.6370 -3.7617 -3.7616 -1.9304 -1.9291 0.8209 0.8389 3.4657 3.4816 4.3945 4.4003 5.0761 5.0767 6.5837 6.5905 6.9610 6.9637 8.0996 8.1186 8.7921 8.8064 9.7913 9.7936 9.8472 9.8736 k = 0.2386 0.1378-0.0000 ( 12194 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1300 -8.1239 -8.1226 -8.1220 -8.1156 -8.1155 -8.1098 -8.1027 -7.6955 -7.6834 -7.6793 -7.6684 -7.6550 -7.6534 -7.6510 -7.6457 -7.6452 -7.6443 -7.6374 -7.6368 -3.7130 -3.7128 -1.8834 -1.8818 0.8033 0.8225 3.3609 3.3770 4.2238 4.2303 5.0139 5.0145 6.4955 6.5026 6.9067 6.9092 8.0746 8.0914 8.7589 8.7711 9.8166 9.8169 9.8668 9.8920 k = 0.2500 0.1443-0.0000 ( 12194 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1302 -8.1240 -8.1225 -8.1219 -8.1156 -8.1155 -8.1094 -8.1023 -7.6956 -7.6836 -7.6790 -7.6682 -7.6548 -7.6536 -7.6509 -7.6454 -7.6448 -7.6441 -7.6373 -7.6366 -3.6622 -3.6620 -1.8350 -1.8331 0.7811 0.8014 3.2655 3.2818 4.0549 4.0621 4.9537 4.9543 6.4068 6.4140 6.8536 6.8561 8.0468 8.0617 8.7218 8.7322 9.8373 9.8380 9.8886 9.9142 k = 0.2614 0.1509-0.0000 ( 12186 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1305 -8.1242 -8.1225 -8.1217 -8.1156 -8.1154 -8.1091 -8.1019 -7.6958 -7.6837 -7.6787 -7.6681 -7.6547 -7.6537 -7.6508 -7.6451 -7.6443 -7.6439 -7.6372 -7.6364 -3.6095 -3.6092 -1.7854 -1.7831 0.7539 0.7752 3.1802 3.1964 3.8880 3.8960 4.8957 4.8963 6.3177 6.3251 6.8020 6.8044 8.0169 8.0300 8.6821 8.6910 9.8545 9.8549 9.9131 9.9406 k = 0.2727 0.1575-0.0000 ( 12200 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1307 -8.1244 -8.1224 -8.1216 -8.1156 -8.1153 -8.1087 -8.1015 -7.6959 -7.6839 -7.6784 -7.6680 -7.6546 -7.6538 -7.6507 -7.6449 -7.6439 -7.6436 -7.6372 -7.6361 -3.5548 -3.5546 -1.7348 -1.7322 0.7217 0.7439 3.1053 3.1211 3.7234 3.7323 4.8399 4.8405 6.2285 6.2360 6.7521 6.7544 7.9854 7.9969 8.6408 8.6484 9.8653 9.8654 9.9436 9.9732 k = 0.2841 0.1640-0.0000 ( 12202 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1308 -8.1245 -8.1223 -8.1215 -8.1156 -8.1152 -8.1083 -8.1012 -7.6959 -7.6841 -7.6781 -7.6679 -7.6545 -7.6539 -7.6506 -7.6447 -7.6434 -7.6434 -7.6370 -7.6358 -3.4984 -3.4981 -1.6837 -1.6806 0.6846 0.7076 3.0408 3.0557 3.5611 3.5712 4.7864 4.7870 6.1396 6.1471 6.7040 6.7062 7.9529 7.9630 8.5987 8.6053 9.8690 9.8691 9.9812 10.0126 k = 0.2955 0.1706-0.0000 ( 12194 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1309 -8.1248 -8.1222 -8.1214 -8.1156 -8.1151 -8.1079 -8.1009 -7.6959 -7.6844 -7.6777 -7.6679 -7.6544 -7.6541 -7.6504 -7.6446 -7.6431 -7.6430 -7.6369 -7.6355 -3.4404 -3.4401 -1.6322 -1.6288 0.6430 0.6666 2.9866 3.0000 3.4016 3.4135 4.7354 4.7359 6.0510 6.0586 6.6578 6.6599 7.9197 7.9286 8.5566 8.5623 9.8670 9.8671 10.0246 10.0578 k = 0.3068 0.1771-0.0000 ( 12188 PWs) bands (ev): -39.8674 -39.8674 -39.8654 -39.8654 -8.1311 -8.1250 -8.1221 -8.1213 -8.1155 -8.1150 -8.1075 -8.1007 -7.6959 -7.6846 -7.6774 -7.6680 -7.6543 -7.6542 -7.6503 -7.6445 -7.6429 -7.6426 -7.6367 -7.6351 -3.3808 -3.3804 -1.5811 -1.5771 0.5975 0.6216 2.9420 2.9525 3.2454 3.2602 4.6867 4.6872 5.9633 5.9707 6.6136 6.6156 7.8866 7.8944 8.5151 8.5201 9.8606 9.8608 10.0727 10.1077 k = 0.3182 0.1837-0.0000 ( 12198 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1311 -8.1252 -8.1219 -8.1212 -8.1155 -8.1149 -8.1071 -8.1005 -7.6958 -7.6849 -7.6770 -7.6681 -7.6543 -7.6542 -7.6501 -7.6445 -7.6426 -7.6422 -7.6365 -7.6348 -3.3198 -3.3194 -1.5307 -1.5262 0.5492 0.5736 2.9051 2.9096 3.0941 3.1149 4.6406 4.6411 5.8765 5.8840 6.5716 6.5735 7.8537 7.8605 8.4747 8.4790 9.8511 9.8514 10.1244 10.1612 k = 0.3295 0.1903-0.0000 ( 12206 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1312 -8.1255 -8.1218 -8.1211 -8.1155 -8.1149 -8.1067 -8.1003 -7.6957 -7.6852 -7.6767 -7.6682 -7.6543 -7.6541 -7.6499 -7.6445 -7.6423 -7.6418 -7.6363 -7.6345 -3.2576 -3.2572 -1.4818 -1.4768 0.4992 0.5239 2.8563 2.8662 2.9571 2.9919 4.5971 4.5976 5.7912 5.7986 6.5317 6.5335 7.8215 7.8275 8.4357 8.4395 9.8394 9.8397 10.1788 10.2173 k = 0.3409 0.1968-0.0000 ( 12212 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1312 -8.1257 -8.1217 -8.1210 -8.1154 -8.1148 -8.1063 -8.1002 -7.6956 -7.6855 -7.6764 -7.6683 -7.6544 -7.6541 -7.6497 -7.6445 -7.6421 -7.6414 -7.6360 -7.6341 -3.1945 -3.1941 -1.4352 -1.4297 0.4491 0.4739 2.7586 2.7699 2.8891 2.9248 4.5561 4.5567 5.7077 5.7149 6.4941 6.4958 7.7904 7.7956 8.3984 8.4018 9.8263 9.8265 10.2352 10.2752 k = 0.3523 0.2034-0.0000 ( 12220 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1313 -8.1260 -8.1216 -8.1209 -8.1154 -8.1147 -8.1060 -8.1001 -7.6954 -7.6859 -7.6760 -7.6685 -7.6545 -7.6541 -7.6494 -7.6446 -7.6418 -7.6411 -7.6357 -7.6338 -3.1306 -3.1302 -1.3918 -1.3859 0.4005 0.4252 2.6294 2.6334 2.8721 2.8999 4.5179 4.5184 5.6264 5.6334 6.4589 6.4605 7.7605 7.7651 8.3631 8.3660 9.8122 9.8125 10.2926 10.3339 k = 0.3636 0.2099-0.0000 ( 12220 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1312 -8.1263 -8.1215 -8.1208 -8.1154 -8.1147 -8.1056 -8.1000 -7.6952 -7.6862 -7.6757 -7.6687 -7.6545 -7.6540 -7.6492 -7.6447 -7.6416 -7.6409 -7.6354 -7.6335 -3.0663 -3.0659 -1.3526 -1.3463 0.3552 0.3797 2.4945 2.4949 2.8674 2.8909 4.4823 4.4828 5.5477 5.5545 6.4261 6.4275 7.7321 7.7362 8.3299 8.3325 9.7978 9.7980 10.3502 10.3922 k = 0.3750 0.2165-0.0000 ( 12216 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1312 -8.1265 -8.1214 -8.1207 -8.1153 -8.1147 -8.1052 -8.1000 -7.6950 -7.6866 -7.6753 -7.6689 -7.6546 -7.6540 -7.6489 -7.6447 -7.6414 -7.6406 -7.6351 -7.6332 -3.0020 -3.0016 -1.3188 -1.3121 0.3151 0.3392 2.3594 2.3610 2.8695 2.8901 4.4495 4.4500 5.4721 5.4787 6.3957 6.3971 7.7055 7.7090 8.2990 8.3013 9.7834 9.7836 10.4069 10.4490 k = 0.3864 0.2231-0.0000 ( 12202 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1312 -8.1268 -8.1213 -8.1207 -8.1152 -8.1146 -8.1049 -8.1000 -7.6947 -7.6870 -7.6750 -7.6691 -7.6546 -7.6540 -7.6487 -7.6448 -7.6412 -7.6404 -7.6347 -7.6329 -2.9382 -2.9377 -1.2914 -1.2845 0.2819 0.3054 2.2280 2.2309 2.8764 2.8948 4.4194 4.4199 5.4001 5.4064 6.3679 6.3691 7.6808 7.6839 8.2706 8.2726 9.7694 9.7696 10.4617 10.5031 k = 0.3977 0.2296-0.0000 ( 12202 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1311 -8.1271 -8.1212 -8.1206 -8.1152 -8.1146 -8.1045 -8.1001 -7.6944 -7.6874 -7.6747 -7.6694 -7.6546 -7.6541 -7.6484 -7.6449 -7.6410 -7.6403 -7.6344 -7.6326 -2.8753 -2.8748 -1.2712 -1.2643 0.2572 0.2798 2.1018 2.1055 2.8870 2.9034 4.3921 4.3926 5.3323 5.3382 6.3425 6.3437 7.6581 7.6608 8.2447 8.2464 9.7561 9.7562 10.5137 10.5534 k = 0.4091 0.2362-0.0000 ( 12198 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1310 -8.1274 -8.1211 -8.1206 -8.1151 -8.1146 -8.1041 -8.1001 -7.6941 -7.6878 -7.6743 -7.6696 -7.6546 -7.6541 -7.6482 -7.6450 -7.6408 -7.6402 -7.6340 -7.6324 -2.8140 -2.8136 -1.2586 -1.2520 0.2419 0.2633 1.9814 1.9857 2.9000 2.9147 4.3676 4.3681 5.2692 5.2747 6.3198 6.3208 7.6376 7.6398 8.2213 8.2228 9.7436 9.7437 10.5617 10.5987 k = 0.4205 0.2427-0.0000 ( 12210 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1309 -8.1277 -8.1210 -8.1206 -8.1151 -8.1146 -8.1038 -8.1003 -7.6938 -7.6882 -7.6740 -7.6699 -7.6546 -7.6541 -7.6479 -7.6452 -7.6406 -7.6401 -7.6337 -7.6323 -2.7553 -2.7550 -1.2537 -1.2475 0.2364 0.2564 1.8679 1.8726 2.9146 2.9275 4.3460 4.3465 5.2114 5.2164 6.2997 6.3006 7.6193 7.6212 8.2006 8.2019 9.7322 9.7323 10.6051 10.6384 k = 0.4318 0.2493-0.0000 ( 12210 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1307 -8.1280 -8.1210 -8.1205 -8.1150 -8.1146 -8.1035 -8.1004 -7.6935 -7.6886 -7.6737 -7.6701 -7.6546 -7.6542 -7.6476 -7.6453 -7.6405 -7.6400 -7.6334 -7.6321 -2.7001 -2.6998 -1.2556 -1.2500 0.2402 0.2583 1.7625 1.7674 2.9297 2.9409 4.3272 4.3276 5.1596 5.1641 6.2822 6.2830 7.6033 7.6049 8.1826 8.1836 9.7220 9.7221 10.6432 10.6722 k = 0.4432 0.2559-0.0000 ( 12216 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1306 -8.1283 -8.1209 -8.1205 -8.1150 -8.1146 -8.1031 -8.1005 -7.6931 -7.6890 -7.6734 -7.6704 -7.6546 -7.6542 -7.6474 -7.6454 -7.6403 -7.6399 -7.6331 -7.6320 -2.6496 -2.6493 -1.2628 -1.2580 0.2516 0.2676 1.6668 1.6716 2.9445 2.9539 4.3113 4.3117 5.1144 5.1183 6.2674 6.2680 7.5897 7.5910 8.1673 8.1682 9.7133 9.7133 10.6757 10.7000 k = 0.4545 0.2624-0.0000 ( 12206 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1304 -8.1286 -8.1208 -8.1205 -8.1149 -8.1146 -8.1028 -8.1007 -7.6928 -7.6894 -7.6731 -7.6707 -7.6546 -7.6543 -7.6471 -7.6456 -7.6402 -7.6399 -7.6328 -7.6319 -2.6052 -2.6050 -1.2733 -1.2694 0.2685 0.2819 1.5829 1.5874 2.9581 2.9657 4.2982 4.2986 5.0765 5.0797 6.2553 6.2558 7.5786 7.5796 8.1547 8.1554 9.7059 9.7060 10.7025 10.7219 k = 0.4659 0.2690-0.0000 ( 12198 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1302 -8.1288 -8.1207 -8.1205 -8.1148 -8.1146 -8.1025 -8.1009 -7.6924 -7.6899 -7.6728 -7.6710 -7.6546 -7.6543 -7.6469 -7.6457 -7.6401 -7.6399 -7.6326 -7.6319 -2.5683 -2.5682 -1.2849 -1.2820 0.2877 0.2982 1.5131 1.5170 2.9698 2.9756 4.2881 4.2884 5.0464 5.0488 6.2458 6.2462 7.5699 7.5706 8.1450 8.1455 9.7002 9.7002 10.7237 10.7381 k = 0.4773 0.2756-0.0000 ( 12202 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1300 -8.1291 -8.1207 -8.1205 -8.1148 -8.1146 -8.1022 -8.1011 -7.6920 -7.6903 -7.6725 -7.6713 -7.6545 -7.6544 -7.6467 -7.6459 -7.6400 -7.6399 -7.6324 -7.6319 -2.5406 -2.5405 -1.2952 -1.2932 0.3056 0.3129 1.4605 1.4634 2.9789 2.9828 4.2809 4.2811 5.0246 5.0262 6.2391 6.2393 7.5637 7.5642 8.1380 8.1384 9.6960 9.6960 10.7393 10.7489 k = 0.4886 0.2821-0.0000 ( 12196 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1298 -8.1293 -8.1206 -8.1206 -8.1148 -8.1147 -8.1019 -8.1014 -7.6916 -7.6907 -7.6722 -7.6716 -7.6545 -7.6544 -7.6465 -7.6461 -7.6400 -7.6399 -7.6322 -7.6320 -2.5233 -2.5232 -1.3021 -1.3011 0.3190 0.3227 1.4278 1.4293 2.9850 2.9869 4.2765 4.2766 5.0115 5.0124 6.2351 6.2352 7.5600 7.5603 8.1339 8.1341 9.6935 9.6935 10.7496 10.7543 k = 0.5000 0.2887-0.0000 ( 12206 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1296 -8.1296 -8.1206 -8.1206 -8.1147 -8.1147 -8.1016 -8.1016 -7.6911 -7.6911 -7.6719 -7.6719 -7.6545 -7.6545 -7.6463 -7.6463 -7.6399 -7.6399 -7.6321 -7.6321 -2.5174 -2.5174 -1.3042 -1.3042 0.3250 0.3250 1.4172 1.4172 2.9877 2.9877 4.2751 4.2751 5.0074 5.0074 6.2338 6.2338 7.5589 7.5589 8.1326 8.1326 9.6926 9.6926 10.7546 10.7546 k = 0.5000 0.2887-0.0000 ( 12206 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1296 -8.1296 -8.1206 -8.1206 -8.1147 -8.1147 -8.1016 -8.1016 -7.6911 -7.6911 -7.6719 -7.6719 -7.6545 -7.6545 -7.6463 -7.6463 -7.6399 -7.6399 -7.6321 -7.6321 -2.5174 -2.5174 -1.3042 -1.3042 0.3250 0.3250 1.4172 1.4172 2.9877 2.9877 4.2751 4.2751 5.0074 5.0074 6.2338 6.2338 7.5589 7.5589 8.1326 8.1326 9.6926 9.6926 10.7546 10.7546 k = 0.4936 0.2998-0.0000 ( 12194 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1299 -8.1294 -8.1212 -8.1200 -8.1148 -8.1145 -8.1017 -8.1016 -7.6924 -7.6899 -7.6724 -7.6713 -7.6545 -7.6544 -7.6464 -7.6461 -7.6400 -7.6399 -7.6323 -7.6319 -2.5162 -2.5162 -1.3044 -1.3042 0.3257 0.3263 1.4174 1.4176 2.9877 2.9889 4.2666 4.2684 5.0056 5.0062 6.2137 6.2142 7.5710 7.5719 8.1555 8.1557 9.6842 9.6854 10.7602 10.7642 k = 0.4872 0.3109-0.0000 ( 12194 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1301 -8.1292 -8.1217 -8.1193 -8.1149 -8.1144 -8.1017 -8.1016 -7.6936 -7.6887 -7.6730 -7.6706 -7.6546 -7.6544 -7.6466 -7.6459 -7.6401 -7.6398 -7.6325 -7.6318 -2.5125 -2.5125 -1.3047 -1.3043 0.3283 0.3294 1.4182 1.4186 2.9888 2.9912 4.2432 4.2470 5.0008 5.0020 6.1568 6.1577 7.6078 7.6095 8.2219 8.2221 9.6611 9.6634 10.7805 10.7883 k = 0.4808 0.3220-0.0000 ( 12188 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1305 -8.1291 -8.1222 -8.1186 -8.1150 -8.1141 -8.1018 -8.1016 -7.6947 -7.6874 -7.6735 -7.6700 -7.6546 -7.6543 -7.6468 -7.6458 -7.6401 -7.6397 -7.6327 -7.6317 -2.5063 -2.5063 -1.3052 -1.3046 0.3328 0.3344 1.4196 1.4203 2.9908 2.9945 4.2064 4.2120 4.9930 4.9947 6.0698 6.0711 7.6681 7.6706 8.3246 8.3249 9.6256 9.6285 10.8134 10.8247 k = 0.4744 0.3331-0.0000 ( 12184 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1308 -8.1290 -8.1226 -8.1179 -8.1150 -8.1139 -8.1018 -8.1015 -7.6959 -7.6862 -7.6740 -7.6694 -7.6547 -7.6543 -7.6470 -7.6457 -7.6402 -7.6396 -7.6330 -7.6316 -2.4977 -2.4977 -1.3060 -1.3051 0.3391 0.3413 1.4216 1.4224 2.9937 2.9986 4.1580 4.1655 4.9821 4.9845 5.9607 5.9623 7.7501 7.7534 8.4559 8.4560 9.5804 9.5836 10.8563 10.8705 k = 0.4679 0.3442-0.0000 ( 12198 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1311 -8.1290 -8.1230 -8.1172 -8.1150 -8.1137 -8.1019 -8.1015 -7.6970 -7.6849 -7.6744 -7.6688 -7.6548 -7.6543 -7.6472 -7.6456 -7.6402 -7.6396 -7.6332 -7.6315 -2.4867 -2.4867 -1.3071 -1.3060 0.3474 0.3501 1.4239 1.4250 2.9969 3.0032 4.1006 4.1099 4.9682 4.9712 5.8366 5.8386 7.8519 7.8558 8.6082 8.6083 9.5285 9.5318 10.9066 10.9232 k = 0.4615 0.3553-0.0000 ( 12184 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1314 -8.1291 -8.1233 -8.1165 -8.1149 -8.1134 -8.1020 -8.1015 -7.6981 -7.6836 -7.6749 -7.6681 -7.6548 -7.6543 -7.6474 -7.6455 -7.6403 -7.6395 -7.6335 -7.6315 -2.4732 -2.4732 -1.3087 -1.3073 0.3577 0.3609 1.4265 1.4279 3.0001 3.0079 4.0368 4.0480 4.9512 4.9549 5.7030 5.7053 7.9711 7.9756 8.7755 8.7756 9.4730 9.4759 10.9619 10.9804 k = 0.4551 0.3664-0.0000 ( 12186 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1317 -8.1293 -8.1236 -8.1157 -8.1148 -8.1132 -8.1021 -8.1016 -7.6991 -7.6824 -7.6752 -7.6675 -7.6549 -7.6543 -7.6476 -7.6454 -7.6404 -7.6394 -7.6338 -7.6315 -2.4574 -2.4573 -1.3108 -1.3093 0.3698 0.3736 1.4293 1.4308 3.0026 3.0120 3.9693 3.9826 4.9310 4.9355 5.5640 5.5667 8.1057 8.1108 8.9519 8.9522 9.4176 9.4195 11.0206 11.0403 k = 0.4487 0.3775-0.0000 ( 12182 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1320 -8.1295 -8.1238 -8.1150 -8.1146 -8.1129 -8.1022 -8.1016 -7.7001 -7.6812 -7.6756 -7.6669 -7.6550 -7.6543 -7.6477 -7.6453 -7.6404 -7.6393 -7.6341 -7.6316 -2.4391 -2.4390 -1.3137 -1.3120 0.3840 0.3883 1.4319 1.4337 3.0036 3.0147 3.9012 3.9165 4.9076 4.9129 5.4227 5.4259 8.2536 8.2593 9.1254 9.1276 9.3718 9.3728 11.0814 11.1018 k = 0.4423 0.3886-0.0000 ( 12182 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1323 -8.1297 -8.1240 -8.1144 -8.1143 -8.1126 -8.1023 -8.1016 -7.7010 -7.6801 -7.6758 -7.6663 -7.6551 -7.6543 -7.6479 -7.6453 -7.6405 -7.6392 -7.6344 -7.6316 -2.4184 -2.4183 -1.3175 -1.3157 0.4002 0.4050 1.4341 1.4362 3.0020 3.0148 3.8353 3.8526 4.8807 4.8870 5.2814 5.2852 8.4132 8.4194 9.2242 9.2315 9.4018 9.4092 11.1435 11.1639 k = 0.4359 0.3997-0.0000 ( 12184 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1326 -8.1300 -8.1242 -8.1142 -8.1137 -8.1122 -8.1024 -8.1016 -7.7019 -7.6790 -7.6760 -7.6657 -7.6552 -7.6543 -7.6480 -7.6453 -7.6406 -7.6390 -7.6347 -7.6317 -2.3953 -2.3953 -1.3225 -1.3205 0.4183 0.4238 1.4357 1.4381 2.9964 3.0108 3.7746 3.7938 4.8499 4.8576 5.1421 5.1469 8.5827 8.5895 9.1974 9.2031 9.5693 9.5768 11.2067 11.2261 k = 0.4295 0.4108-0.0000 ( 12184 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1328 -8.1303 -8.1244 -8.1139 -8.1131 -8.1118 -8.1026 -8.1017 -7.7028 -7.6781 -7.6759 -7.6651 -7.6553 -7.6544 -7.6481 -7.6453 -7.6406 -7.6389 -7.6350 -7.6318 -2.3699 -2.3699 -1.3289 -1.3267 0.4386 0.4446 1.4364 1.4390 2.9856 3.0014 3.7221 3.7430 4.8140 4.8237 5.0072 5.0137 8.7609 8.7683 9.1464 9.1509 9.7648 9.7731 11.2709 11.2885 k = 0.4231 0.4219-0.0000 ( 12184 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1330 -8.1306 -8.1246 -8.1136 -8.1127 -8.1114 -8.1027 -8.1017 -7.7036 -7.6777 -7.6755 -7.6646 -7.6554 -7.6544 -7.6482 -7.6453 -7.6407 -7.6388 -7.6353 -7.6320 -2.3422 -2.3421 -1.3369 -1.3345 0.4610 0.4675 1.4356 1.4386 2.9683 2.9850 3.6804 3.7025 4.7683 4.7813 4.8820 4.8913 8.9465 8.9545 9.0931 9.0968 9.9651 9.9753 11.3364 11.3509 k = 0.4167 0.4330-0.0000 ( 12170 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1332 -8.1309 -8.1248 -8.1133 -8.1123 -8.1108 -8.1028 -8.1017 -7.7043 -7.6776 -7.6747 -7.6641 -7.6555 -7.6545 -7.6482 -7.6453 -7.6408 -7.6387 -7.6355 -7.6321 -2.3123 -2.3121 -1.3467 -1.3443 0.4855 0.4926 1.4331 1.4364 2.9441 2.9609 3.6513 3.6739 4.6972 4.7098 4.7879 4.7963 9.0411 9.0443 9.1383 9.1472 10.1651 10.1782 11.4036 11.4137 k = 0.4103 0.4441-0.0000 ( 12178 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1334 -8.1312 -8.1250 -8.1129 -8.1120 -8.1103 -8.1030 -8.1018 -7.7050 -7.6776 -7.6737 -7.6637 -7.6557 -7.6546 -7.6482 -7.6454 -7.6409 -7.6385 -7.6357 -7.6323 -2.2800 -2.2799 -1.3587 -1.3562 0.5123 0.5199 1.4283 1.4319 2.9131 2.9295 3.6354 3.6578 4.5957 4.6024 4.7329 4.7351 8.9918 8.9945 9.3353 9.3451 10.3615 10.3789 11.4730 11.4770 k = 0.4038 0.4552-0.0000 ( 12182 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1335 -8.1314 -8.1251 -8.1126 -8.1117 -8.1097 -8.1031 -8.1018 -7.7056 -7.6777 -7.6727 -7.6633 -7.6558 -7.6547 -7.6482 -7.6455 -7.6409 -7.6384 -7.6359 -7.6325 -2.2456 -2.2454 -1.3731 -1.3705 0.5414 0.5494 1.4207 1.4247 2.8767 2.8920 3.6321 3.6537 4.4869 4.4907 4.6852 4.6864 8.9457 8.9480 9.5365 9.5474 10.5512 10.5742 11.5410 11.5451 k = 0.3974 0.4663-0.0000 ( 12188 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1336 -8.1317 -8.1253 -8.1123 -8.1115 -8.1091 -8.1033 -8.1019 -7.7062 -7.6777 -7.6717 -7.6630 -7.6559 -7.6549 -7.6481 -7.6456 -7.6410 -7.6383 -7.6360 -7.6327 -2.2091 -2.2089 -1.3901 -1.3876 0.5728 0.5814 1.4097 1.4142 2.8368 2.8505 3.6400 3.6604 4.3819 4.3844 4.6367 4.6397 8.9033 8.9052 9.7406 9.7529 10.7305 10.7610 11.6053 11.6196 k = 0.3910 0.4774-0.0000 ( 12178 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1337 -8.1320 -8.1255 -8.1120 -8.1113 -8.1086 -8.1034 -8.1020 -7.7067 -7.6778 -7.6708 -7.6628 -7.6560 -7.6550 -7.6480 -7.6457 -7.6411 -7.6382 -7.6361 -7.6329 -2.1704 -2.1702 -1.4101 -1.4075 0.6067 0.6157 1.3949 1.3998 2.7954 2.8074 3.6574 3.6764 4.2839 4.2857 4.5872 4.5913 8.8647 8.8664 9.9465 9.9605 10.8954 10.9354 11.6689 11.6954 k = 0.3846 0.4885-0.0000 ( 12180 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1338 -8.1322 -8.1256 -8.1117 -8.1111 -8.1080 -8.1036 -8.1020 -7.7072 -7.6778 -7.6699 -7.6627 -7.6561 -7.6551 -7.6479 -7.6458 -7.6411 -7.6382 -7.6361 -7.6331 -2.1298 -2.1294 -1.4331 -1.4306 0.6431 0.6525 1.3758 1.3811 2.7543 2.7647 3.6826 3.7003 4.1945 4.1959 4.5361 4.5411 8.8303 8.8316 10.1528 10.1689 11.0426 11.0938 11.7295 11.7691 k = 0.3782 0.4996-0.0000 ( 12172 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1338 -8.1324 -8.1258 -8.1114 -8.1110 -8.1075 -8.1038 -8.1021 -7.7076 -7.6779 -7.6690 -7.6626 -7.6561 -7.6553 -7.6478 -7.6459 -7.6412 -7.6381 -7.6360 -7.6333 -2.0872 -2.0868 -1.4595 -1.4571 0.6821 0.6919 1.3518 1.3576 2.7153 2.7240 3.7144 3.7308 4.1148 4.1160 4.4831 4.4888 8.7999 8.8010 10.3575 10.3763 11.1699 11.2331 11.7836 11.8361 k = 0.3718 0.5107-0.0000 ( 12181 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1339 -8.1326 -8.1259 -8.1112 -8.1108 -8.1070 -8.1039 -8.1021 -7.7079 -7.6779 -7.6682 -7.6626 -7.6562 -7.6554 -7.6477 -7.6461 -7.6413 -7.6381 -7.6359 -7.6336 -2.0427 -2.0422 -1.4894 -1.4871 0.7237 0.7340 1.3226 1.3289 2.6796 2.6868 3.7516 3.7667 4.0456 4.0467 4.4284 4.4348 8.7738 8.7747 10.5583 10.5806 11.2764 11.3514 11.8278 11.8916 k = 0.3654 0.5218-0.0000 ( 12181 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1339 -8.1328 -8.1260 -8.1110 -8.1107 -8.1066 -8.1041 -8.1022 -7.7082 -7.6779 -7.6675 -7.6627 -7.6562 -7.6556 -7.6475 -7.6462 -7.6413 -7.6381 -7.6358 -7.6338 -1.9965 -1.9960 -1.5229 -1.5207 0.7681 0.7787 1.2879 1.2948 2.6483 2.6539 3.7930 3.8068 3.9877 3.9889 4.3721 4.3790 8.7519 8.7525 10.7517 10.7788 11.3622 11.4473 11.8606 11.9335 k = 0.3590 0.5329-0.0000 ( 12173 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1338 -8.1330 -8.1261 -8.1108 -8.1106 -8.1062 -8.1043 -8.1023 -7.7084 -7.6779 -7.6667 -7.6629 -7.6562 -7.6557 -7.6474 -7.6464 -7.6414 -7.6380 -7.6357 -7.6340 -1.9487 -1.9480 -1.5600 -1.5580 0.8152 0.8263 1.2478 1.2552 2.6219 2.6263 3.8363 3.8482 3.9429 3.9452 4.3144 4.3217 8.7341 8.7346 10.9333 10.9669 11.4271 11.5182 11.8852 11.9638 k = 0.3526 0.5440-0.0000 ( 12169 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1338 -8.1331 -8.1262 -8.1107 -8.1106 -8.1058 -8.1045 -8.1023 -7.7086 -7.6779 -7.6661 -7.6632 -7.6562 -7.6558 -7.6472 -7.6465 -7.6414 -7.6380 -7.6355 -7.6343 -1.8995 -1.8986 -1.6008 -1.5989 0.8652 0.8767 1.2024 1.2102 2.6011 2.6042 3.8692 3.8743 3.9235 3.9318 4.2556 4.2632 8.7205 8.7208 11.0965 11.1391 11.4696 11.5593 11.9094 11.9881 k = 0.3462 0.5551-0.0000 ( 12159 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1337 -8.1333 -8.1262 -8.1106 -8.1105 -8.1055 -8.1046 -8.1024 -7.7087 -7.6779 -7.6655 -7.6635 -7.6561 -7.6559 -7.6471 -7.6466 -7.6414 -7.6380 -7.6353 -7.6345 -1.8489 -1.8479 -1.6452 -1.6435 0.9179 0.9300 1.1521 1.1601 2.5862 2.5882 3.8634 3.8640 3.9570 3.9693 4.1960 4.2037 8.7109 8.7111 11.2323 11.2885 11.4889 11.5655 11.9417 12.0137 k = 0.3397 0.5662-0.0000 ( 12163 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1336 -8.1334 -8.1263 -8.1105 -8.1105 -8.1052 -8.1048 -8.1024 -7.7088 -7.6779 -7.6649 -7.6639 -7.6561 -7.6560 -7.6469 -7.6467 -7.6415 -7.6380 -7.6351 -7.6347 -1.7973 -1.7961 -1.6930 -1.6916 0.9727 0.9861 1.0980 1.1056 2.5774 2.5783 3.8515 3.8517 4.0091 4.0224 4.1368 4.1438 8.7052 8.7053 11.3280 11.4067 11.4889 11.5389 11.9822 12.0459 k = 0.3333 0.5774-0.0000 ( 12171 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1335 -8.1335 -8.1263 -8.1105 -8.1105 -8.1050 -8.1050 -8.1025 -7.7088 -7.6779 -7.6644 -7.6644 -7.6560 -7.6560 -7.6468 -7.6468 -7.6415 -7.6380 -7.6349 -7.6349 -1.7495 -1.7468 -1.7396 -1.7396 1.0158 1.0376 1.0547 1.0547 2.5747 2.5747 3.8473 3.8473 4.0511 4.0713 4.0930 4.0930 8.7034 8.7034 11.3636 11.4862 11.4862 11.4876 12.0095 12.0839 k = 0.3333 0.5774-0.0000 ( 12171 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1335 -8.1335 -8.1263 -8.1105 -8.1105 -8.1050 -8.1050 -8.1025 -7.7088 -7.6779 -7.6644 -7.6644 -7.6560 -7.6560 -7.6468 -7.6468 -7.6415 -7.6380 -7.6349 -7.6349 -1.7495 -1.7468 -1.7396 -1.7396 1.0158 1.0376 1.0547 1.0547 2.5747 2.5747 3.8473 3.8473 4.0511 4.0713 4.0930 4.0930 8.7034 8.7034 11.3636 11.4862 11.4862 11.4876 12.0095 12.0839 k = 0.3268 0.5660-0.0000 ( 12167 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1336 -8.1334 -8.1263 -8.1105 -8.1105 -8.1052 -8.1048 -8.1024 -7.7088 -7.6779 -7.6649 -7.6639 -7.6561 -7.6560 -7.6469 -7.6468 -7.6415 -7.6380 -7.6351 -7.6347 -1.8004 -1.7991 -1.6901 -1.6886 0.9683 0.9822 1.1019 1.1106 2.5775 2.5784 3.8515 3.8516 4.0065 4.0197 4.1396 4.1467 8.7052 8.7053 11.3349 11.4159 11.4876 11.5266 11.9784 12.0363 k = 0.3203 0.5547-0.0000 ( 12151 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1337 -8.1333 -8.1262 -8.1106 -8.1105 -8.1054 -8.1048 -8.1024 -7.7087 -7.6779 -7.6655 -7.6635 -7.6561 -7.6560 -7.6470 -7.6467 -7.6414 -7.6380 -7.6353 -7.6345 -1.8589 -1.8579 -1.6358 -1.6339 0.9031 0.9167 1.1675 1.1774 2.5867 2.5884 3.8621 3.8621 3.9491 3.9613 4.2052 4.2129 8.7108 8.7110 11.2720 11.3329 11.4719 11.5271 11.9221 11.9796 k = 0.3137 0.5434-0.0000 ( 12159 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1338 -8.1331 -8.1262 -8.1106 -8.1106 -8.1056 -8.1048 -8.1023 -7.7086 -7.6779 -7.6660 -7.6632 -7.6561 -7.6559 -7.6471 -7.6467 -7.6414 -7.6380 -7.6354 -7.6343 -1.9204 -1.9196 -1.5815 -1.5792 0.8355 0.8496 1.2374 1.2477 2.6022 2.6046 3.8572 3.8623 3.9149 3.9220 4.2747 4.2824 8.7199 8.7201 11.1930 11.2419 11.4336 11.4959 11.8580 11.9162 k = 0.3072 0.5321-0.0000 ( 12177 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1339 -8.1329 -8.1261 -8.1107 -8.1107 -8.1058 -8.1049 -8.1021 -7.7085 -7.6780 -7.6666 -7.6629 -7.6560 -7.6559 -7.6471 -7.6467 -7.6414 -7.6381 -7.6356 -7.6342 -1.9844 -1.9837 -1.5278 -1.5252 0.7672 0.7820 1.3109 1.3214 2.6239 2.6269 3.8073 3.8177 3.9340 3.9360 4.3472 4.3546 8.7325 8.7327 11.1051 11.1457 11.3770 11.4418 11.7886 11.8463 k = 0.3007 0.5207-0.0000 ( 12179 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1340 -8.1327 -8.1260 -8.1108 -8.1108 -8.1060 -8.1050 -8.1020 -7.7083 -7.6780 -7.6673 -7.6626 -7.6560 -7.6559 -7.6471 -7.6467 -7.6414 -7.6381 -7.6357 -7.6340 -2.0506 -2.0502 -1.4754 -1.4723 0.6994 0.7151 1.3879 1.3984 2.6514 2.6549 3.7475 3.7593 3.9711 3.9721 4.4222 4.4294 8.7482 8.7485 11.0117 11.0464 11.3071 11.3721 11.7147 11.7711 k = 0.2941 0.5094-0.0000 ( 12171 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1340 -8.1325 -8.1259 -8.1110 -8.1110 -8.1062 -8.1052 -8.1018 -7.7080 -7.6780 -7.6679 -7.6624 -7.6559 -7.6558 -7.6471 -7.6468 -7.6413 -7.6382 -7.6358 -7.6339 -2.1188 -2.1185 -1.4250 -1.4213 0.6335 0.6502 1.4682 1.4788 2.6846 2.6886 3.6870 3.6994 4.0170 4.0176 4.4997 4.5066 8.7669 8.7672 10.9152 10.9455 11.2282 11.2921 11.6371 11.6917 k = 0.2876 0.4981-0.0000 ( 12165 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1341 -8.1323 -8.1257 -8.1112 -8.1112 -8.1064 -8.1054 -8.1016 -7.7078 -7.6781 -7.6686 -7.6623 -7.6558 -7.6558 -7.6471 -7.6469 -7.6413 -7.6382 -7.6359 -7.6338 -2.1886 -2.1884 -1.3774 -1.3731 0.5707 0.5884 1.5520 1.5625 2.7232 2.7277 3.6272 3.6401 4.0699 4.0703 4.5795 4.5861 8.7885 8.7887 10.8172 10.8442 11.1430 11.2054 11.5565 11.6093 k = 0.2810 0.4868-0.0000 ( 12169 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1341 -8.1321 -8.1256 -8.1114 -8.1114 -8.1066 -8.1057 -8.1014 -7.7075 -7.6781 -7.6692 -7.6621 -7.6558 -7.6557 -7.6471 -7.6470 -7.6413 -7.6383 -7.6360 -7.6338 -2.2597 -2.2596 -1.3336 -1.3287 0.5124 0.5312 1.6391 1.6495 2.7670 2.7719 3.5686 3.5820 4.1290 4.1293 4.6615 4.6678 8.8125 8.8128 10.7188 10.7432 11.0537 11.1144 11.4738 11.5248 k = 0.2745 0.4755-0.0000 ( 12173 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1341 -8.1318 -8.1254 -8.1116 -8.1116 -8.1069 -8.1059 -8.1012 -7.7072 -7.6782 -7.6699 -7.6621 -7.6558 -7.6556 -7.6472 -7.6471 -7.6412 -7.6384 -7.6361 -7.6337 -2.3318 -2.3318 -1.2946 -1.2890 0.4598 0.4798 1.7296 1.7398 2.8158 2.8210 3.5117 3.5256 4.1939 4.1941 4.7455 4.7516 8.8389 8.8391 10.6211 10.6433 10.9618 11.0208 11.3897 11.4390 k = 0.2680 0.4641-0.0000 ( 12177 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1341 -8.1316 -8.1252 -8.1118 -8.1118 -8.1071 -8.1062 -8.1011 -7.7068 -7.6782 -7.6705 -7.6620 -7.6557 -7.6554 -7.6473 -7.6470 -7.6412 -7.6385 -7.6362 -7.6337 -2.4048 -2.4046 -1.2616 -1.2553 0.4145 0.4357 1.8233 1.8334 2.8692 2.8748 3.4569 3.4713 4.2640 4.2641 4.8315 4.8373 8.8672 8.8674 10.5247 10.5452 10.8684 10.9257 11.3048 11.3526 k = 0.2614 0.4528-0.0000 ( 12177 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1341 -8.1313 -8.1250 -8.1121 -8.1121 -8.1074 -8.1065 -8.1009 -7.7065 -7.6783 -7.6712 -7.6621 -7.6557 -7.6553 -7.6475 -7.6470 -7.6412 -7.6387 -7.6363 -7.6337 -2.4782 -2.4780 -1.2357 -1.2289 0.3776 0.4000 1.9203 1.9302 2.9271 2.9330 3.4046 3.4193 4.3389 4.3389 4.9192 4.9248 8.8971 8.8973 10.4303 10.4495 10.7742 10.8300 11.2195 11.2660 k = 0.2549 0.4415-0.0000 ( 12179 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1341 -8.1310 -8.1248 -8.1124 -8.1123 -8.1077 -8.1068 -8.1008 -7.7061 -7.6783 -7.6719 -7.6621 -7.6557 -7.6551 -7.6477 -7.6469 -7.6413 -7.6388 -7.6364 -7.6338 -2.5518 -2.5515 -1.2181 -1.2107 0.3504 0.3739 2.0206 2.0303 2.9892 2.9954 3.3552 3.3703 4.4183 4.4183 5.0087 5.0141 8.9281 8.9284 10.3387 10.3568 10.6798 10.7343 11.1342 11.1796 k = 0.2484 0.4302-0.0000 ( 12177 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1340 -8.1308 -8.1245 -8.1128 -8.1126 -8.1079 -8.1070 -8.1006 -7.7057 -7.6784 -7.6725 -7.6622 -7.6557 -7.6550 -7.6479 -7.6468 -7.6413 -7.6390 -7.6365 -7.6338 -2.6254 -2.6250 -1.2094 -1.2016 0.3337 0.3581 2.1241 2.1336 3.0551 3.0619 3.3092 3.3244 4.5018 4.5019 5.0998 5.1049 8.9597 8.9599 10.2505 10.2678 10.5859 10.6391 11.0492 11.0937 k = 0.2418 0.4189-0.0000 ( 12185 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1340 -8.1305 -8.1243 -8.1131 -8.1129 -8.1082 -8.1073 -8.1005 -7.7053 -7.6785 -7.6731 -7.6623 -7.6556 -7.6549 -7.6481 -7.6468 -7.6414 -7.6392 -7.6366 -7.6339 -2.6988 -2.6984 -1.2101 -1.2021 0.3277 0.3529 2.2307 2.2400 3.1241 3.1323 3.2677 3.2822 4.5893 4.5894 5.1923 5.1973 8.9911 8.9913 10.1666 10.1832 10.4926 10.5448 10.9648 11.0085 k = 0.2353 0.4075-0.0000 ( 12189 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1339 -8.1302 -8.1241 -8.1135 -8.1131 -8.1085 -8.1076 -8.1005 -7.7048 -7.6785 -7.6738 -7.6624 -7.6556 -7.6547 -7.6483 -7.6467 -7.6414 -7.6395 -7.6366 -7.6340 -2.7717 -2.7712 -1.2201 -1.2120 0.3324 0.3581 2.3405 2.3495 3.1900 3.2062 3.2371 3.2442 4.6803 4.6805 5.2862 5.2909 9.0213 9.0215 10.0880 10.1040 10.4004 10.4516 10.8812 10.9244 k = 0.2288 0.3962-0.0000 ( 12201 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1338 -8.1299 -8.1239 -8.1139 -8.1134 -8.1088 -8.1079 -8.1004 -7.7044 -7.6786 -7.6744 -7.6626 -7.6555 -7.6546 -7.6485 -7.6466 -7.6415 -7.6397 -7.6367 -7.6341 -2.8440 -2.8435 -1.2389 -1.2310 0.3469 0.3730 2.4534 2.4620 3.1878 3.2104 3.2828 3.2839 4.7748 4.7750 5.3812 5.3858 9.0490 9.0493 10.0160 10.0315 10.3094 10.3597 10.7985 10.8413 k = 0.2222 0.3849-0.0000 ( 12197 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1337 -8.1296 -8.1236 -8.1143 -8.1136 -8.1091 -8.1082 -8.1004 -7.7039 -7.6787 -7.6750 -7.6628 -7.6555 -7.6545 -7.6487 -7.6466 -7.6416 -7.6400 -7.6368 -7.6343 -2.9154 -2.9150 -1.2656 -1.2580 0.3701 0.3963 2.5692 2.5776 3.1612 3.1820 3.3613 3.3647 4.8724 4.8726 5.4773 5.4816 9.0726 9.0731 9.9522 9.9673 10.2199 10.2694 10.7169 10.7595 k = 0.2157 0.3736-0.0000 ( 12189 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1336 -8.1293 -8.1234 -8.1148 -8.1139 -8.1094 -8.1085 -8.1004 -7.7034 -7.6788 -7.6756 -7.6630 -7.6554 -7.6544 -7.6489 -7.6465 -7.6417 -7.6403 -7.6370 -7.6344 -2.9860 -2.9855 -1.2991 -1.2920 0.4004 0.4267 2.6881 2.6961 3.1387 3.1593 3.4446 3.4487 4.9729 4.9731 5.5741 5.5784 9.0900 9.0908 9.8984 9.9132 10.1320 10.1808 10.6365 10.6791 k = 0.2092 0.3623-0.0000 ( 12205 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1334 -8.1289 -8.1232 -8.1152 -8.1141 -8.1097 -8.1087 -8.1004 -7.7029 -7.6789 -7.6761 -7.6633 -7.6553 -7.6543 -7.6491 -7.6465 -7.6418 -7.6406 -7.6371 -7.6346 -3.0554 -3.0550 -1.3383 -1.3316 0.4361 0.4624 2.8098 2.8175 3.1221 3.1428 3.5314 3.5357 5.0761 5.0764 5.6717 5.6758 9.0989 9.1001 9.8569 9.8714 10.0460 10.0940 10.5575 10.6002 k = 0.2026 0.3509-0.0000 ( 12201 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1333 -8.1286 -8.1230 -8.1157 -8.1144 -8.1101 -8.1090 -8.1004 -7.7025 -7.6789 -7.6767 -7.6635 -7.6552 -7.6543 -7.6493 -7.6464 -7.6420 -7.6410 -7.6372 -7.6348 -3.1236 -3.1232 -1.3818 -1.3757 0.4758 0.5018 2.9344 2.9415 3.1125 3.1332 3.6213 3.6256 5.1818 5.1820 5.7697 5.7736 9.0973 9.0992 9.8291 9.8436 9.9622 10.0091 10.4798 10.5227 k = 0.1961 0.3396-0.0000 ( 12213 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1331 -8.1283 -8.1229 -8.1162 -8.1146 -8.1104 -8.1093 -8.1005 -7.7020 -7.6790 -7.6772 -7.6638 -7.6551 -7.6542 -7.6495 -7.6464 -7.6421 -7.6413 -7.6373 -7.6349 -3.1905 -3.1900 -1.4288 -1.4232 0.5177 0.5434 3.0616 3.0671 3.1116 3.1313 3.7139 3.7182 5.2897 5.2899 5.8680 5.8718 9.0841 9.0869 9.8142 9.8308 9.8824 9.9261 10.4035 10.4469 k = 0.1895 0.3283-0.0000 ( 12195 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1329 -8.1280 -8.1227 -8.1166 -8.1148 -8.1107 -8.1095 -8.1006 -7.7015 -7.6791 -7.6777 -7.6641 -7.6550 -7.6542 -7.6497 -7.6463 -7.6423 -7.6417 -7.6375 -7.6351 -3.2559 -3.2554 -1.4782 -1.4732 0.5603 0.5857 3.1145 3.1367 3.1922 3.1997 3.8093 3.8135 5.3997 5.3999 5.9664 5.9700 9.0598 9.0635 9.7861 9.8317 9.8319 9.8456 10.3288 10.3727 k = 0.1830 0.3170-0.0000 ( 12207 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1327 -8.1277 -8.1226 -8.1171 -8.1150 -8.1110 -8.1098 -8.1008 -7.7010 -7.6792 -7.6782 -7.6645 -7.6549 -7.6542 -7.6499 -7.6463 -7.6424 -7.6421 -7.6376 -7.6353 -3.3197 -3.3193 -1.5292 -1.5247 0.6025 0.6274 3.1296 3.1516 3.3247 3.3314 3.9072 3.9112 5.5114 5.5115 6.0646 6.0680 9.0260 9.0306 9.7141 9.7659 9.8397 9.8463 10.2556 10.3002 k = 0.1765 0.3057-0.0000 ( 12207 PWs) bands (ev): -39.8673 -39.8673 -39.8655 -39.8655 -8.1325 -8.1273 -8.1225 -8.1176 -8.1151 -8.1113 -8.1100 -8.1010 -7.7004 -7.6793 -7.6787 -7.6648 -7.6548 -7.6542 -7.6501 -7.6463 -7.6426 -7.6425 -7.6377 -7.6355 -3.3819 -3.3815 -1.5811 -1.5772 0.6430 0.6673 3.1536 3.1755 3.4598 3.4660 4.0076 4.0114 5.6246 5.6246 6.1623 6.1656 8.9850 8.9904 9.6383 9.6890 9.8626 9.8698 10.1839 10.2294 k = 0.1699 0.2943-0.0000 ( 12209 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1322 -8.1270 -8.1224 -8.1181 -8.1152 -8.1117 -8.1103 -8.1012 -7.6999 -7.6794 -7.6791 -7.6652 -7.6547 -7.6543 -7.6502 -7.6464 -7.6430 -7.6428 -7.6378 -7.6357 -3.4423 -3.4420 -1.6334 -1.6300 0.6810 0.7046 3.1873 3.2091 3.5973 3.6029 4.1103 4.1138 5.7390 5.7390 6.2594 6.2625 8.9390 8.9451 9.5637 9.6141 9.8929 9.9001 10.1138 10.1603 k = 0.1634 0.2830-0.0000 ( 12217 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1320 -8.1267 -8.1223 -8.1186 -8.1153 -8.1120 -8.1105 -8.1015 -7.6994 -7.6796 -7.6795 -7.6656 -7.6545 -7.6543 -7.6504 -7.6464 -7.6434 -7.6430 -7.6379 -7.6359 -3.5009 -3.5007 -1.6856 -1.6826 0.7156 0.7385 3.2310 3.2525 3.7370 3.7420 4.2153 4.2184 5.8542 5.8543 6.3555 6.3585 8.8899 8.8966 9.4907 9.5412 9.9271 9.9341 10.0458 10.0933 k = 0.1569 0.2717-0.0000 ( 12205 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1317 -8.1264 -8.1223 -8.1190 -8.1154 -8.1123 -8.1107 -8.1018 -7.6989 -7.6799 -7.6797 -7.6660 -7.6544 -7.6543 -7.6505 -7.6465 -7.6438 -7.6433 -7.6379 -7.6361 -3.5577 -3.5574 -1.7373 -1.7347 0.7465 0.7685 3.2849 3.3061 3.8786 3.8830 4.3226 4.3253 5.9699 5.9702 6.4505 6.4532 8.8392 8.8465 9.4196 9.4702 9.9609 9.9610 9.9882 10.0301 k = 0.1503 0.2604-0.0000 ( 12197 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1314 -8.1260 -8.1223 -8.1195 -8.1155 -8.1126 -8.1110 -8.1021 -7.6984 -7.6802 -7.6798 -7.6665 -7.6546 -7.6542 -7.6506 -7.6465 -7.6443 -7.6435 -7.6380 -7.6362 -3.6125 -3.6123 -1.7882 -1.7859 0.7733 0.7944 3.3490 3.3697 4.0220 4.0257 4.4321 4.4343 6.0859 6.0863 6.5439 6.5465 8.7879 8.7957 9.3502 9.4012 9.9091 9.9541 10.0085 10.0103 k = 0.1438 0.2491-0.0000 ( 12207 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1310 -8.1257 -8.1223 -8.1199 -8.1155 -8.1130 -8.1112 -8.1025 -7.6979 -7.6806 -7.6800 -7.6669 -7.6547 -7.6540 -7.6507 -7.6466 -7.6447 -7.6438 -7.6380 -7.6364 -3.6653 -3.6651 -1.8380 -1.8361 0.7959 0.8160 3.4231 3.4433 4.1666 4.1695 4.5440 4.5455 6.2015 6.2021 6.6357 6.6380 8.7369 8.7451 9.2825 9.3341 9.8454 9.8953 10.0375 10.0427 k = 0.1373 0.2377-0.0000 ( 12215 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1307 -8.1254 -8.1224 -8.1204 -8.1155 -8.1133 -8.1114 -8.1029 -7.6974 -7.6809 -7.6801 -7.6674 -7.6549 -7.6538 -7.6507 -7.6468 -7.6452 -7.6441 -7.6380 -7.6365 -3.7161 -3.7159 -1.8864 -1.8848 0.8144 0.8334 3.5070 3.5265 4.3120 4.3141 4.6583 4.6592 6.3164 6.3172 6.7254 6.7275 8.6866 8.6953 9.2165 9.2687 9.7824 9.8345 10.0644 10.0703 k = 0.1307 0.2264-0.0000 ( 12207 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1304 -8.1251 -8.1224 -8.1208 -8.1155 -8.1136 -8.1117 -8.1034 -7.6968 -7.6812 -7.6803 -7.6679 -7.6551 -7.6537 -7.6508 -7.6469 -7.6456 -7.6444 -7.6380 -7.6366 -3.7647 -3.7646 -1.9333 -1.9320 0.8290 0.8468 3.6001 3.6190 4.4576 4.4586 4.7756 4.7757 6.4301 6.4311 6.8130 6.8147 8.6375 8.6466 9.1521 9.2050 9.7205 9.7745 10.0838 10.0900 k = 0.1242 0.2151-0.0000 ( 12203 PWs) bands (ev): -39.8674 -39.8674 -39.8655 -39.8655 -8.1300 -8.1248 -8.1225 -8.1211 -8.1155 -8.1140 -8.1119 -8.1038 -7.6963 -7.6814 -7.6805 -7.6684 -7.6553 -7.6535 -7.6508 -7.6471 -7.6460 -7.6447 -7.6379 -7.6367 -3.8112 -3.8111 -1.9786 -1.9775 0.8399 0.8566 3.7021 3.7203 4.6021 4.6022 4.8955 4.8964 6.5419 6.5431 6.8983 6.8996 8.5899 8.5993 9.0891 9.1428 9.6597 9.7156 10.0923 10.0986 k = 0.1176 0.2038-0.0000 ( 12213 PWs) bands (ev): -39.8675 -39.8675 -39.8655 -39.8655 -8.1296 -8.1245 -8.1226 -8.1215 -8.1155 -8.1143 -8.1121 -8.1044 -7.6958 -7.6816 -7.6807 -7.6689 -7.6555 -7.6533 -7.6508 -7.6473 -7.6464 -7.6450 -7.6379 -7.6368 -3.8555 -3.8555 -2.0220 -2.0212 0.8475 0.8631 3.8123 3.8299 4.7434 4.7447 5.0196 5.0214 6.6512 6.6527 6.9809 6.9818 8.5439 8.5536 9.0274 9.0820 9.5999 9.6578 10.0866 10.0933 k = 0.1111 0.1925-0.0000 ( 12205 PWs) bands (ev): -39.8675 -39.8675 -39.8655 -39.8655 -8.1292 -8.1242 -8.1227 -8.1219 -8.1155 -8.1146 -8.1123 -8.1049 -7.6952 -7.6818 -7.6808 -7.6695 -7.6557 -7.6532 -7.6507 -7.6475 -7.6468 -7.6453 -7.6378 -7.6369 -3.8976 -3.8976 -2.0635 -2.0629 0.8523 0.8667 3.9302 3.9471 4.8810 4.8835 5.1489 5.1515 6.7574 6.7591 7.0610 7.0613 8.4994 8.5095 8.9669 9.0223 9.5411 9.6010 10.0639 10.0707 k = 0.1046 0.1811-0.0000 ( 12201 PWs) bands (ev): -39.8675 -39.8675 -39.8656 -39.8656 -8.1288 -8.1239 -8.1227 -8.1222 -8.1154 -8.1149 -8.1125 -8.1055 -7.6947 -7.6820 -7.6810 -7.6701 -7.6559 -7.6530 -7.6507 -7.6478 -7.6471 -7.6457 -7.6377 -7.6369 -3.9375 -3.9375 -2.1031 -2.1025 0.8547 0.8680 4.0551 4.0713 5.0138 5.0171 5.2844 5.2875 6.8596 6.8615 7.1380 7.1384 8.4566 8.4670 8.9072 8.9636 9.4831 9.5452 10.0212 10.0284 k = 0.0980 0.1698-0.0000 ( 12203 PWs) bands (ev): -39.8675 -39.8675 -39.8656 -39.8656 -8.1283 -8.1237 -8.1228 -8.1224 -8.1154 -8.1152 -8.1127 -8.1062 -7.6941 -7.6822 -7.6812 -7.6707 -7.6561 -7.6529 -7.6506 -7.6482 -7.6474 -7.6460 -7.6376 -7.6369 -3.9750 -3.9750 -2.1405 -2.1401 0.8550 0.8672 4.1865 4.2021 5.1408 5.1447 5.4264 5.4295 6.9572 6.9593 7.2119 7.2131 8.4152 8.4260 8.8483 8.9055 9.4259 9.4901 9.9570 9.9643 k = 0.0915 0.1585-0.0000 ( 12203 PWs) bands (ev): -39.8675 -39.8675 -39.8656 -39.8656 -8.1279 -8.1235 -8.1229 -8.1226 -8.1156 -8.1153 -8.1130 -8.1068 -7.6935 -7.6823 -7.6814 -7.6713 -7.6563 -7.6528 -7.6506 -7.6485 -7.6476 -7.6463 -7.6375 -7.6369 -4.0103 -4.0103 -2.1757 -2.1755 0.8536 0.8648 4.3237 4.3387 5.2618 5.2658 5.5746 5.5773 7.0494 7.0515 7.2830 7.2851 8.3750 8.3860 8.7897 8.8477 9.3692 9.4356 9.8713 9.8785 k = 0.0850 0.1472-0.0000 ( 12211 PWs) bands (ev): -39.8675 -39.8675 -39.8656 -39.8656 -8.1274 -8.1234 -8.1230 -8.1227 -8.1159 -8.1153 -8.1131 -8.1075 -7.6929 -7.6824 -7.6816 -7.6720 -7.6565 -7.6527 -7.6505 -7.6489 -7.6478 -7.6466 -7.6374 -7.6369 -4.0432 -4.0432 -2.2087 -2.2086 0.8510 0.8612 4.4662 4.4806 5.3768 5.3806 5.7279 5.7297 7.1355 7.1374 7.3513 7.3544 8.3352 8.3465 8.7313 8.7900 9.3130 9.3815 9.7660 9.7730 k = 0.0784 0.1358-0.0000 ( 12211 PWs) bands (ev): -39.8675 -39.8675 -39.8656 -39.8656 -8.1269 -8.1235 -8.1230 -8.1226 -8.1162 -8.1153 -8.1133 -8.1082 -7.6923 -7.6825 -7.6818 -7.6727 -7.6566 -7.6527 -7.6504 -7.6492 -7.6480 -7.6469 -7.6372 -7.6369 -4.0738 -4.0737 -2.2395 -2.2394 0.8475 0.8567 4.6132 4.6272 5.4861 5.4895 5.8854 5.8858 7.2150 7.2165 7.4168 7.4211 8.2951 8.3066 8.6728 8.7317 9.2571 9.3276 9.6454 9.6519 k = 0.0719 0.1245-0.0000 ( 12209 PWs) bands (ev): -39.8675 -39.8675 -39.8656 -39.8656 -8.1264 -8.1236 -8.1230 -8.1224 -8.1165 -8.1152 -8.1135 -8.1090 -7.6916 -7.6826 -7.6819 -7.6735 -7.6567 -7.6527 -7.6503 -7.6494 -7.6482 -7.6471 -7.6371 -7.6369 -4.1020 -4.1019 -2.2679 -2.2679 0.8432 0.8516 4.7641 4.7777 5.5898 5.5926 6.0443 6.0457 7.2877 7.2883 7.4793 7.4849 8.2533 8.2649 8.6137 8.6725 9.2010 9.2736 9.5145 9.5206 k = 0.0654 0.1132-0.0000 ( 12209 PWs) bands (ev): -39.8675 -39.8675 -39.8656 -39.8656 -8.1260 -8.1238 -8.1230 -8.1222 -8.1168 -8.1152 -8.1137 -8.1097 -7.6909 -7.6827 -7.6821 -7.6742 -7.6568 -7.6529 -7.6503 -7.6496 -7.6483 -7.6474 -7.6370 -7.6368 -4.1278 -4.1277 -2.2940 -2.2939 0.8386 0.8461 4.9183 4.9315 5.6876 5.6898 6.2043 6.2080 7.3527 7.3535 7.5385 7.5459 8.2080 8.2197 8.5537 8.6118 9.1445 9.2193 9.3795 9.3856 k = 0.0588 0.1019-0.0000 ( 12211 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1255 -8.1239 -8.1230 -8.1219 -8.1171 -8.1152 -8.1139 -8.1105 -7.6902 -7.6828 -7.6822 -7.6750 -7.6568 -7.6530 -7.6502 -7.6498 -7.6485 -7.6476 -7.6369 -7.6368 -4.1512 -4.1511 -2.3176 -2.3176 0.8339 0.8405 5.0748 5.0876 5.7794 5.7809 6.3647 6.3712 7.4096 7.4124 7.5943 7.6039 8.1566 8.1683 8.4926 8.5491 9.0865 9.1643 9.2466 9.2538 k = 0.0523 0.0906-0.0000 ( 12207 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1251 -8.1240 -8.1228 -8.1217 -8.1173 -8.1152 -8.1140 -8.1113 -7.6895 -7.6828 -7.6823 -7.6759 -7.6569 -7.6533 -7.6501 -7.6499 -7.6486 -7.6479 -7.6368 -7.6367 -4.1721 -4.1720 -2.3389 -2.3388 0.8292 0.8349 5.2327 5.2451 5.8646 5.8655 6.5244 6.5346 7.4591 7.4644 7.6462 7.6590 8.0963 8.1078 8.4300 8.4837 9.0248 9.1079 9.1222 9.1338 k = 0.0458 0.0792-0.0000 ( 12207 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1248 -8.1241 -8.1226 -8.1215 -8.1176 -8.1151 -8.1142 -8.1121 -7.6888 -7.6829 -7.6825 -7.6767 -7.6568 -7.6535 -7.6500 -7.6499 -7.6487 -7.6480 -7.6368 -7.6367 -4.1906 -4.1905 -2.3577 -2.3576 0.8247 0.8297 5.3905 5.4026 5.9428 5.9430 6.6825 6.6971 7.5011 7.5095 7.6938 7.7112 8.0245 8.0355 8.3659 8.4150 8.9549 9.0108 9.0359 9.0514 k = 0.0392 0.0679-0.0000 ( 12207 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1246 -8.1242 -8.1223 -8.1213 -8.1178 -8.1151 -8.1143 -8.1128 -7.6880 -7.6829 -7.6826 -7.6776 -7.6568 -7.6539 -7.6500 -7.6499 -7.6488 -7.6482 -7.6367 -7.6366 -4.2067 -4.2066 -2.3740 -2.3739 0.8205 0.8248 5.5463 5.5581 6.0130 6.0135 6.8374 6.8578 7.5355 7.5476 7.7352 7.7603 7.9414 7.9507 8.3002 8.3421 8.8788 8.9178 8.9630 8.9932 k = 0.0327 0.0566-0.0000 ( 12207 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1245 -8.1243 -8.1219 -8.1211 -8.1179 -8.1151 -8.1144 -8.1136 -7.6872 -7.6829 -7.6827 -7.6785 -7.6567 -7.6542 -7.6499 -7.6499 -7.6488 -7.6484 -7.6366 -7.6366 -4.2203 -4.2202 -2.3878 -2.3877 0.8169 0.8204 5.6973 5.7088 6.0752 6.0764 6.9878 7.0156 7.5618 7.5779 7.7598 7.7994 7.8584 7.8626 8.2334 8.2645 8.8091 8.8439 8.9049 8.9350 k = 0.0261 0.0453-0.0000 ( 12223 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1244 -8.1243 -8.1214 -8.1209 -8.1180 -8.1150 -8.1146 -8.1143 -7.6864 -7.6830 -7.6827 -7.6794 -7.6565 -7.6545 -7.6499 -7.6499 -7.6489 -7.6485 -7.6366 -7.6365 -4.2314 -4.2314 -2.3992 -2.3991 0.8138 0.8166 5.8389 5.8497 6.1301 6.1318 7.1316 7.1691 7.5777 7.5959 7.7136 7.7469 7.8342 7.8615 8.1671 8.1820 8.7528 8.7874 8.8556 8.8788 k = 0.0196 0.0340-0.0000 ( 12233 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1244 -8.1243 -8.1210 -8.1208 -8.1180 -8.1152 -8.1150 -8.1146 -7.6856 -7.6830 -7.6828 -7.6803 -7.6564 -7.6548 -7.6499 -7.6499 -7.6489 -7.6486 -7.6365 -7.6365 -4.2401 -4.2400 -2.4080 -2.4079 0.8114 0.8135 5.9632 5.9727 6.1794 6.1813 7.2658 7.3162 7.5662 7.5756 7.6417 7.6868 7.8437 7.8953 8.0963 8.1057 8.7103 8.7445 8.8152 8.8284 k = 0.0131 0.0226-0.0000 ( 12253 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1244 -8.1244 -8.1207 -8.1206 -8.1179 -8.1159 -8.1150 -8.1147 -7.6847 -7.6830 -7.6829 -7.6812 -7.6562 -7.6551 -7.6498 -7.6498 -7.6489 -7.6487 -7.6365 -7.6365 -4.2463 -4.2462 -2.4143 -2.4142 0.8098 0.8112 6.0581 6.0652 6.2261 6.2274 7.3860 7.4512 7.5006 7.5047 7.6261 7.6864 7.8360 7.9062 8.0223 8.0580 8.6813 8.7107 8.7849 8.7896 k = 0.0065 0.0113-0.0000 ( 12257 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1244 -8.1244 -8.1205 -8.1205 -8.1176 -8.1165 -8.1149 -8.1148 -7.6839 -7.6830 -7.6829 -7.6821 -7.6560 -7.6554 -7.6498 -7.6498 -7.6489 -7.6488 -7.6365 -7.6365 -4.2500 -4.2500 -2.4181 -2.4180 0.8089 0.8096 6.1135 6.1170 6.2669 6.2672 7.4380 7.4410 7.4842 7.5491 7.6496 7.7096 7.8003 7.8465 8.0039 8.0304 8.6667 8.6840 8.7661 8.7667 k = 0.0000 0.0000 0.0000 ( 12263 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1244 -8.1244 -8.1205 -8.1205 -8.1171 -8.1171 -8.1149 -8.1149 -7.6830 -7.6830 -7.6829 -7.6829 -7.6557 -7.6557 -7.6498 -7.6498 -7.6489 -7.6489 -7.6365 -7.6365 -4.2512 -4.2512 -2.4193 -2.4193 0.8089 0.8089 6.1317 6.1317 6.2842 6.2842 7.4160 7.4160 7.5456 7.5456 7.7383 7.7383 7.7556 7.7556 8.0148 8.0148 8.6679 8.6679 8.7596 8.7596 k = 0.0000 0.0000 0.0000 ( 12263 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1244 -8.1244 -8.1205 -8.1205 -8.1171 -8.1171 -8.1149 -8.1149 -7.6830 -7.6830 -7.6829 -7.6829 -7.6557 -7.6557 -7.6498 -7.6498 -7.6489 -7.6489 -7.6365 -7.6365 -4.2512 -4.2512 -2.4193 -2.4193 0.8089 0.8089 6.1317 6.1317 6.2842 6.2842 7.4160 7.4160 7.5456 7.5456 7.7383 7.7383 7.7556 7.7556 8.0148 8.0148 8.6679 8.6679 8.7596 8.7596 k = 0.0000 0.0000 0.0128 ( 12251 PWs) bands (ev): -39.8676 -39.8676 -39.8656 -39.8656 -8.1244 -8.1244 -8.1205 -8.1205 -8.1171 -8.1171 -8.1149 -8.1149 -7.6830 -7.6830 -7.6829 -7.6829 -7.6557 -7.6557 -7.6498 -7.6498 -7.6489 -7.6489 -7.6365 -7.6365 -4.2500 -4.2500 -2.4233 -2.4233 0.8153 0.8153 6.1328 6.1328 6.2854 6.2854 7.4174 7.4174 7.5200 7.5200 7.6740 7.6740 7.7530 7.7530 8.0983 8.0983 8.6700 8.6700 8.7614 8.7614 k = 0.0000 0.0000 0.0256 ( 12245 PWs) bands (ev): -39.8676 -39.8676 -39.8657 -39.8657 -8.1244 -8.1244 -8.1205 -8.1205 -8.1171 -8.1171 -8.1149 -8.1149 -7.6830 -7.6830 -7.6829 -7.6829 -7.6557 -7.6557 -7.6498 -7.6498 -7.6489 -7.6489 -7.6365 -7.6365 -4.2464 -4.2464 -2.4352 -2.4352 0.8347 0.8347 6.1361 6.1361 6.2887 6.2887 7.4128 7.4128 7.4214 7.4214 7.6111 7.6111 7.7452 7.7452 8.2488 8.2488 8.6764 8.6764 8.7670 8.7670 k = 0.0000 0.0000 0.0385 ( 12245 PWs) bands (ev): -39.8676 -39.8676 -39.8657 -39.8657 -8.1243 -8.1243 -8.1205 -8.1205 -8.1171 -8.1171 -8.1149 -8.1149 -7.6830 -7.6830 -7.6830 -7.6830 -7.6556 -7.6556 -7.6497 -7.6497 -7.6489 -7.6489 -7.6366 -7.6366 -4.2404 -4.2404 -2.4546 -2.4546 0.8666 0.8666 6.1416 6.1416 6.2943 6.2943 7.2483 7.2483 7.4282 7.4282 7.5830 7.5830 7.7324 7.7324 8.4069 8.4069 8.6872 8.6872 8.7762 8.7762 k = 0.0000 0.0000 0.0513 ( 12227 PWs) bands (ev): -39.8676 -39.8676 -39.8657 -39.8657 -8.1243 -8.1243 -8.1205 -8.1205 -8.1171 -8.1171 -8.1149 -8.1149 -7.6830 -7.6830 -7.6830 -7.6830 -7.6555 -7.6555 -7.6496 -7.6496 -7.6489 -7.6489 -7.6367 -7.6367 -4.2319 -4.2319 -2.4812 -2.4812 0.9106 0.9106 6.1493 6.1493 6.3021 6.3021 7.0675 7.0675 7.4377 7.4377 7.5602 7.5602 7.7148 7.7148 8.5573 8.5573 8.7036 8.7036 8.7889 8.7889 k = 0.0000 0.0000 0.0641 ( 12203 PWs) bands (ev): -39.8675 -39.8675 -39.8657 -39.8657 -8.1243 -8.1243 -8.1206 -8.1206 -8.1170 -8.1170 -8.1149 -8.1149 -7.6831 -7.6831 -7.6830 -7.6830 -7.6554 -7.6554 -7.6495 -7.6495 -7.6490 -7.6490 -7.6368 -7.6368 -4.2211 -4.2211 -2.5142 -2.5142 0.9661 0.9661 6.1593 6.1593 6.3121 6.3121 6.8808 6.8808 7.4498 7.4498 7.5356 7.5356 7.6927 7.6927 8.6793 8.6793 8.7388 8.7388 8.8050 8.8050 k = 0.0000 0.0000 0.0769 ( 12197 PWs) bands (ev): -39.8675 -39.8675 -39.8657 -39.8657 -8.1242 -8.1242 -8.1206 -8.1206 -8.1170 -8.1170 -8.1149 -8.1149 -7.6831 -7.6831 -7.6830 -7.6830 -7.6553 -7.6553 -7.6493 -7.6493 -7.6490 -7.6490 -7.6370 -7.6370 -4.2078 -4.2078 -2.5532 -2.5532 1.0323 1.0323 6.1713 6.1713 6.3243 6.3243 6.6915 6.6915 7.4646 7.4646 7.5080 7.5080 7.6664 7.6664 8.7260 8.7260 8.8243 8.8243 8.8319 8.8319 k = 0.0000 0.0000 0.0898 ( 12197 PWs) bands (ev): -39.8675 -39.8675 -39.8657 -39.8657 -8.1242 -8.1242 -8.1207 -8.1207 -8.1169 -8.1169 -8.1149 -8.1149 -7.6831 -7.6831 -7.6830 -7.6830 -7.6552 -7.6552 -7.6491 -7.6491 -7.6491 -7.6491 -7.6372 -7.6372 -4.1922 -4.1922 -2.5972 -2.5972 1.1087 1.1087 6.1856 6.1856 6.3387 6.3387 6.5009 6.5009 7.4770 7.4770 7.4822 7.4822 7.6364 7.6364 8.7529 8.7529 8.8467 8.8467 8.9200 8.9200 k = 0.0000 0.0000 0.1026 ( 12203 PWs) bands (ev): -39.8675 -39.8675 -39.8658 -39.8658 -8.1241 -8.1241 -8.1208 -8.1208 -8.1169 -8.1169 -8.1149 -8.1149 -7.6832 -7.6832 -7.6831 -7.6831 -7.6551 -7.6551 -7.6492 -7.6492 -7.6489 -7.6489 -7.6374 -7.6374 -4.1742 -4.1742 -2.6455 -2.6455 1.1943 1.1943 6.2020 6.2020 6.3096 6.3096 6.3553 6.3553 7.4430 7.4430 7.5024 7.5024 7.6031 7.6031 8.7801 8.7801 8.8720 8.8720 8.9779 8.9779 k = 0.0000 0.0000 0.1154 ( 12191 PWs) bands (ev): -39.8674 -39.8674 -39.8658 -39.8658 -8.1241 -8.1241 -8.1208 -8.1208 -8.1168 -8.1168 -8.1149 -8.1149 -7.6832 -7.6832 -7.6831 -7.6831 -7.6549 -7.6549 -7.6492 -7.6492 -7.6487 -7.6487 -7.6376 -7.6376 -4.1538 -4.1538 -2.6976 -2.6976 1.2885 1.2885 6.1182 6.1182 6.2205 6.2205 6.3740 6.3740 7.4061 7.4061 7.5253 7.5253 7.5667 7.5667 8.8089 8.8089 8.9001 8.9001 9.0041 9.0041 k = 0.0000 0.0000 0.1282 ( 12191 PWs) bands (ev): -39.8674 -39.8674 -39.8658 -39.8658 -8.1240 -8.1240 -8.1209 -8.1209 -8.1168 -8.1168 -8.1150 -8.1150 -7.6833 -7.6833 -7.6832 -7.6832 -7.6547 -7.6547 -7.6493 -7.6493 -7.6484 -7.6484 -7.6378 -7.6378 -4.1310 -4.1310 -2.7526 -2.7526 1.3906 1.3906 5.9270 5.9270 6.2410 6.2410 6.3948 6.3948 7.3668 7.3668 7.5277 7.5277 7.5508 7.5508 8.8391 8.8391 8.9309 8.9309 9.0037 9.0037 k = 0.0000 0.0000 0.1411 ( 12191 PWs) bands (ev): -39.8673 -39.8673 -39.8659 -39.8659 -8.1239 -8.1239 -8.1210 -8.1210 -8.1167 -8.1167 -8.1150 -8.1150 -7.6833 -7.6833 -7.6832 -7.6832 -7.6545 -7.6545 -7.6494 -7.6494 -7.6481 -7.6481 -7.6381 -7.6381 -4.1060 -4.1060 -2.8100 -2.8100 1.5000 1.5000 5.7363 5.7363 6.2637 6.2637 6.4176 6.4176 7.3253 7.3253 7.4865 7.4865 7.5791 7.5791 8.8682 8.8682 8.9643 8.9643 8.9855 8.9855 k = 0.0000 0.0000 0.1539 ( 12197 PWs) bands (ev): -39.8673 -39.8673 -39.8659 -39.8659 -8.1238 -8.1238 -8.1211 -8.1211 -8.1166 -8.1166 -8.1150 -8.1150 -7.6834 -7.6834 -7.6832 -7.6832 -7.6543 -7.6543 -7.6496 -7.6496 -7.6478 -7.6478 -7.6384 -7.6384 -4.0786 -4.0786 -2.8691 -2.8691 1.6160 1.6160 5.5462 5.5462 6.2883 6.2883 6.4425 6.4425 7.2821 7.2821 7.4434 7.4434 7.6099 7.6099 8.8854 8.8854 8.9667 8.9667 9.0004 9.0004 k = 0.0000 0.0000 0.1667 ( 12185 PWs) bands (ev): -39.8672 -39.8672 -39.8660 -39.8660 -8.1237 -8.1237 -8.1212 -8.1212 -8.1165 -8.1165 -8.1150 -8.1150 -7.6834 -7.6834 -7.6833 -7.6833 -7.6541 -7.6541 -7.6497 -7.6497 -7.6475 -7.6475 -7.6387 -7.6387 -4.0489 -4.0489 -2.9295 -2.9295 1.7381 1.7381 5.3570 5.3570 6.3149 6.3149 6.4694 6.4694 7.2374 7.2374 7.3987 7.3987 7.6434 7.6434 8.8641 8.8641 8.9784 8.9784 9.0389 9.0389 k = 0.0000 0.0000 0.1795 ( 12173 PWs) bands (ev): -39.8672 -39.8672 -39.8660 -39.8660 -8.1237 -8.1237 -8.1213 -8.1213 -8.1165 -8.1165 -8.1151 -8.1151 -7.6834 -7.6834 -7.6833 -7.6833 -7.6539 -7.6539 -7.6498 -7.6498 -7.6472 -7.6472 -7.6391 -7.6391 -4.0170 -4.0170 -2.9908 -2.9908 1.8659 1.8659 5.1689 5.1689 6.3434 6.3434 6.4982 6.4982 7.1915 7.1915 7.3528 7.3528 7.6795 7.6795 8.8156 8.8156 9.0126 9.0126 9.0800 9.0800 k = 0.0000 0.0000 0.1923 ( 12180 PWs) bands (ev): -39.8671 -39.8671 -39.8661 -39.8661 -8.1236 -8.1236 -8.1214 -8.1214 -8.1164 -8.1164 -8.1151 -8.1151 -7.6835 -7.6835 -7.6834 -7.6834 -7.6537 -7.6537 -7.6500 -7.6500 -7.6468 -7.6468 -7.6394 -7.6394 -3.9828 -3.9828 -3.0525 -3.0525 1.9989 1.9989 4.9820 4.9820 6.3739 6.3739 6.5289 6.5289 7.1447 7.1447 7.3059 7.3059 7.7181 7.7181 8.7573 8.7573 9.0543 9.0543 9.1235 9.1235 k = 0.0000 0.0000 0.2052 ( 12198 PWs) bands (ev): -39.8671 -39.8671 -39.8661 -39.8661 -8.1234 -8.1234 -8.1215 -8.1215 -8.1163 -8.1163 -8.1152 -8.1152 -7.6835 -7.6835 -7.6834 -7.6834 -7.6534 -7.6534 -7.6501 -7.6501 -7.6465 -7.6465 -7.6398 -7.6398 -3.9464 -3.9464 -3.1143 -3.1143 2.1367 2.1367 4.7965 4.7965 6.4061 6.4061 6.5615 6.5615 7.0972 7.0972 7.2582 7.2582 7.7593 7.7593 8.6944 8.6944 9.0999 9.0999 9.1695 9.1695 k = 0.0000 0.0000 0.2180 ( 12204 PWs) bands (ev): -39.8670 -39.8670 -39.8662 -39.8662 -8.1233 -8.1233 -8.1216 -8.1216 -8.1162 -8.1162 -8.1152 -8.1152 -7.6835 -7.6835 -7.6834 -7.6834 -7.6532 -7.6532 -7.6503 -7.6503 -7.6461 -7.6461 -7.6402 -7.6402 -3.9078 -3.9078 -3.1758 -3.1758 2.2791 2.2791 4.6125 4.6125 6.4401 6.4401 6.5958 6.5958 7.0494 7.0494 7.2102 7.2102 7.8031 7.8031 8.6292 8.6292 9.1485 9.1485 9.2180 9.2180 k = 0.0000 0.0000 0.2308 ( 12210 PWs) bands (ev): -39.8670 -39.8670 -39.8662 -39.8662 -8.1232 -8.1232 -8.1217 -8.1217 -8.1161 -8.1161 -8.1153 -8.1153 -7.6836 -7.6836 -7.6835 -7.6835 -7.6530 -7.6530 -7.6504 -7.6504 -7.6457 -7.6457 -7.6406 -7.6406 -3.8671 -3.8671 -3.2368 -3.2368 2.4256 2.4256 4.4301 4.4301 6.4757 6.4757 6.6318 6.6318 7.0014 7.0014 7.1619 7.1619 7.8493 7.8493 8.5628 8.5628 9.1999 9.1999 9.2689 9.2689 k = 0.0000 0.0000 0.2436 ( 12198 PWs) bands (ev): -39.8669 -39.8669 -39.8663 -39.8663 -8.1231 -8.1231 -8.1219 -8.1219 -8.1160 -8.1160 -8.1153 -8.1153 -7.6836 -7.6836 -7.6835 -7.6835 -7.6528 -7.6528 -7.6506 -7.6506 -7.6453 -7.6453 -7.6410 -7.6410 -3.8243 -3.8243 -3.2971 -3.2971 2.5760 2.5760 4.2496 4.2496 6.5130 6.5130 6.6695 6.6695 6.9534 6.9534 7.1137 7.1137 7.8979 7.8979 8.4961 8.4961 9.2537 9.2537 9.3223 9.3223 k = 0.0000 0.0000 0.2565 ( 12174 PWs) bands (ev): -39.8668 -39.8668 -39.8664 -39.8664 -8.1230 -8.1230 -8.1220 -8.1220 -8.1160 -8.1160 -8.1154 -8.1154 -7.6836 -7.6836 -7.6835 -7.6835 -7.6525 -7.6525 -7.6508 -7.6508 -7.6448 -7.6448 -7.6414 -7.6414 -3.7795 -3.7795 -3.3565 -3.3565 2.7301 2.7301 4.0710 4.0710 6.5519 6.5519 6.7087 6.7087 6.9057 6.9057 7.0657 7.0657 7.9489 7.9489 8.4297 8.4297 9.3100 9.3100 9.3781 9.3781 k = 0.0000 0.0000 0.2693 ( 12186 PWs) bands (ev): -39.8668 -39.8668 -39.8664 -39.8664 -8.1229 -8.1229 -8.1221 -8.1221 -8.1159 -8.1159 -8.1154 -8.1154 -7.6836 -7.6836 -7.6836 -7.6836 -7.6523 -7.6523 -7.6510 -7.6510 -7.6444 -7.6444 -7.6418 -7.6418 -3.7327 -3.7327 -3.4147 -3.4147 2.8877 2.8877 3.8944 3.8944 6.5922 6.5922 6.7494 6.7494 6.8584 6.8584 7.0180 7.0180 8.0022 8.0022 8.3640 8.3640 9.3688 9.3688 9.4363 9.4363 k = 0.0000 0.0000 0.2821 ( 12174 PWs) bands (ev): -39.8667 -39.8667 -39.8665 -39.8665 -8.1227 -8.1227 -8.1222 -8.1222 -8.1158 -8.1158 -8.1155 -8.1155 -7.6836 -7.6836 -7.6836 -7.6836 -7.6521 -7.6521 -7.6512 -7.6512 -7.6440 -7.6440 -7.6422 -7.6422 -3.6840 -3.6840 -3.4716 -3.4716 3.0484 3.0484 3.7202 3.7202 6.6338 6.6338 6.7914 6.7914 6.8117 6.8117 6.9710 6.9710 8.0577 8.0577 8.2995 8.2995 9.4299 9.4299 9.4970 9.4970 k = 0.0000 0.0000 0.2949 ( 12186 PWs) bands (ev): -39.8667 -39.8667 -39.8665 -39.8665 -8.1226 -8.1226 -8.1224 -8.1224 -8.1157 -8.1157 -8.1156 -8.1156 -7.6836 -7.6836 -7.6836 -7.6836 -7.6518 -7.6518 -7.6514 -7.6514 -7.6436 -7.6436 -7.6427 -7.6427 -3.6334 -3.6334 -3.5271 -3.5271 3.2122 3.2122 3.5483 3.5483 6.6767 6.6767 6.7658 6.7658 6.8347 6.8347 6.9246 6.9246 8.1154 8.1154 8.2364 8.2364 9.4934 9.4934 9.5602 9.5602 k = 0.0000 0.0000 0.3078 ( 12186 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1225 -8.1225 -8.1225 -8.1225 -8.1156 -8.1156 -8.1156 -8.1156 -7.6836 -7.6836 -7.6836 -7.6836 -7.6516 -7.6516 -7.6516 -7.6516 -7.6431 -7.6431 -7.6431 -7.6431 -3.5811 -3.5811 -3.5811 -3.5811 3.3789 3.3789 3.3789 3.3789 6.7207 6.7207 6.7207 6.7207 6.8792 6.8792 6.8792 6.8792 8.1750 8.1750 8.1750 8.1750 9.5593 9.5593 9.5593 9.5593 k = 0.0000 0.0000 0.3078 ( 12186 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1225 -8.1225 -8.1225 -8.1225 -8.1156 -8.1156 -8.1156 -8.1156 -7.6836 -7.6836 -7.6836 -7.6836 -7.6516 -7.6516 -7.6516 -7.6516 -7.6431 -7.6431 -7.6431 -7.6431 -3.5811 -3.5811 -3.5811 -3.5811 3.3789 3.3789 3.3789 3.3789 6.7207 6.7207 6.7207 6.7207 6.8792 6.8792 6.8792 6.8792 8.1750 8.1750 8.1750 8.1750 9.5593 9.5593 9.5593 9.5593 k = 0.0114 0.0066 0.3078 ( 12184 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1225 -8.1225 -8.1225 -8.1225 -8.1159 -8.1159 -8.1154 -8.1154 -7.6840 -7.6840 -7.6833 -7.6833 -7.6517 -7.6517 -7.6516 -7.6516 -7.6431 -7.6431 -7.6431 -7.6431 -3.5799 -3.5799 -3.5798 -3.5798 3.3780 3.3780 3.3788 3.3788 6.7058 6.7058 6.7103 6.7103 6.8655 6.8655 6.8658 6.8658 8.1908 8.1908 8.1957 8.1957 9.5633 9.5633 9.5641 9.5641 k = 0.0227 0.0131 0.3078 ( 12172 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1225 -8.1225 -8.1225 -8.1225 -8.1160 -8.1160 -8.1151 -8.1151 -7.6843 -7.6843 -7.6829 -7.6829 -7.6517 -7.6517 -7.6515 -7.6515 -7.6431 -7.6431 -7.6431 -7.6431 -3.5762 -3.5762 -3.5761 -3.5761 3.3760 3.3760 3.3776 3.3776 6.6624 6.6624 6.6718 6.6718 6.8311 6.8311 6.8325 6.8325 8.2393 8.2393 8.2483 8.2483 9.5750 9.5750 9.5767 9.5767 k = 0.0341 0.0197 0.3078 ( 12182 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1226 -8.1226 -8.1226 -8.1226 -8.1162 -8.1162 -8.1147 -8.1147 -7.6846 -7.6846 -7.6825 -7.6825 -7.6517 -7.6517 -7.6514 -7.6514 -7.6431 -7.6431 -7.6431 -7.6431 -3.5701 -3.5701 -3.5698 -3.5698 3.3728 3.3728 3.3751 3.3751 6.5877 6.5877 6.6010 6.6010 6.7890 6.7890 6.7917 6.7917 8.3104 8.3104 8.3227 8.3227 9.5925 9.5925 9.5952 9.5952 k = 0.0455 0.0262 0.3078 ( 12182 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1227 -8.1227 -8.1226 -8.1226 -8.1162 -8.1162 -8.1144 -8.1144 -7.6849 -7.6849 -7.6822 -7.6822 -7.6517 -7.6517 -7.6513 -7.6513 -7.6431 -7.6431 -7.6431 -7.6431 -3.5614 -3.5614 -3.5611 -3.5611 3.3682 3.3682 3.3714 3.3714 6.4862 6.4862 6.5019 6.5019 6.7457 6.7457 6.7487 6.7487 8.3925 8.3925 8.4072 8.4072 9.6163 9.6163 9.6198 9.6198 k = 0.0568 0.0328 0.3078 ( 12186 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1229 -8.1229 -8.1227 -8.1227 -8.1163 -8.1163 -8.1140 -8.1140 -7.6852 -7.6852 -7.6818 -7.6818 -7.6517 -7.6517 -7.6512 -7.6512 -7.6431 -7.6431 -7.6431 -7.6431 -3.5503 -3.5503 -3.5499 -3.5499 3.3619 3.3619 3.3659 3.3659 6.3668 6.3668 6.3838 6.3838 6.7003 6.7003 6.7031 6.7031 8.4747 8.4747 8.4910 8.4910 9.6502 9.6502 9.6541 9.6541 k = 0.0682 0.0394 0.3078 ( 12192 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1230 -8.1230 -8.1228 -8.1228 -8.1162 -8.1162 -8.1136 -8.1136 -7.6855 -7.6855 -7.6814 -7.6814 -7.6517 -7.6517 -7.6511 -7.6511 -7.6431 -7.6431 -7.6430 -7.6430 -3.5367 -3.5367 -3.5363 -3.5363 3.3537 3.3537 3.3585 3.3585 6.2370 6.2370 6.2549 6.2549 6.6514 6.6514 6.6538 6.6538 8.5481 8.5481 8.5652 8.5652 9.6990 9.6990 9.7028 9.7028 k = 0.0795 0.0459 0.3078 ( 12188 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1232 -8.1232 -8.1229 -8.1229 -8.1162 -8.1162 -8.1132 -8.1132 -7.6858 -7.6858 -7.6810 -7.6810 -7.6517 -7.6517 -7.6510 -7.6510 -7.6431 -7.6431 -7.6430 -7.6430 -3.5207 -3.5207 -3.5202 -3.5202 3.3430 3.3430 3.3486 3.3486 6.1022 6.1022 6.1207 6.1207 6.5986 6.5986 6.6006 6.6006 8.6063 8.6063 8.6234 8.6234 9.7666 9.7666 9.7697 9.7697 k = 0.0909 0.0525 0.3078 ( 12188 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1234 -8.1234 -8.1230 -8.1230 -8.1160 -8.1160 -8.1128 -8.1128 -7.6860 -7.6860 -7.6807 -7.6807 -7.6517 -7.6517 -7.6509 -7.6509 -7.6430 -7.6430 -7.6429 -7.6429 -3.5022 -3.5022 -3.5017 -3.5017 3.3292 3.3292 3.3358 3.3358 5.9659 5.9659 5.9849 5.9849 6.5421 6.5421 6.5439 6.5439 8.6459 8.6459 8.6624 8.6624 9.8544 9.8544 9.8564 9.8564 k = 0.1023 0.0590 0.3078 ( 12188 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1236 -8.1236 -8.1230 -8.1230 -8.1159 -8.1159 -8.1124 -8.1124 -7.6862 -7.6862 -7.6803 -7.6803 -7.6516 -7.6516 -7.6508 -7.6508 -7.6430 -7.6430 -7.6428 -7.6428 -3.4813 -3.4813 -3.4807 -3.4807 3.3118 3.3118 3.3192 3.3192 5.8308 5.8308 5.8503 5.8503 6.4826 6.4826 6.4841 6.4841 8.6667 8.6667 8.6822 8.6822 9.9610 9.9610 9.9614 9.9614 k = 0.1136 0.0656 0.3078 ( 12182 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1239 -8.1239 -8.1231 -8.1231 -8.1157 -8.1157 -8.1120 -8.1120 -7.6864 -7.6864 -7.6800 -7.6800 -7.6516 -7.6516 -7.6507 -7.6507 -7.6430 -7.6430 -7.6427 -7.6427 -3.4580 -3.4580 -3.4573 -3.4573 3.2900 3.2900 3.2983 3.2983 5.6993 5.6993 5.7192 5.7192 6.4206 6.4206 6.4219 6.4219 8.6710 8.6710 8.6853 8.6853 10.0813 10.0813 10.0825 10.0825 k = 0.1250 0.0722 0.3078 ( 12194 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1241 -8.1241 -8.1232 -8.1232 -8.1155 -8.1155 -8.1116 -8.1116 -7.6866 -7.6866 -7.6796 -7.6796 -7.6515 -7.6515 -7.6506 -7.6506 -7.6429 -7.6429 -7.6426 -7.6426 -3.4323 -3.4323 -3.4316 -3.4316 3.2629 3.2629 3.2720 3.2720 5.5731 5.5731 5.5935 5.5935 6.3568 6.3568 6.3579 6.3579 8.6618 8.6618 8.6749 8.6749 10.2113 10.2113 10.2141 10.2141 k = 0.1364 0.0787 0.3078 ( 12202 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1243 -8.1243 -8.1233 -8.1233 -8.1152 -8.1152 -8.1112 -8.1112 -7.6868 -7.6868 -7.6793 -7.6793 -7.6515 -7.6515 -7.6506 -7.6506 -7.6428 -7.6428 -7.6425 -7.6425 -3.4042 -3.4042 -3.4034 -3.4034 3.2296 3.2296 3.2395 3.2395 5.4540 5.4540 5.4747 5.4747 6.2917 6.2917 6.2926 6.2926 8.6423 8.6423 8.6543 8.6543 10.3458 10.3458 10.3499 10.3499 k = 0.1477 0.0853 0.3078 ( 12198 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1245 -8.1245 -8.1233 -8.1233 -8.1150 -8.1150 -8.1108 -8.1108 -7.6869 -7.6869 -7.6790 -7.6790 -7.6515 -7.6515 -7.6505 -7.6505 -7.6427 -7.6427 -7.6423 -7.6423 -3.3737 -3.3737 -3.3729 -3.3729 3.1893 3.1893 3.1999 3.1999 5.3434 5.3434 5.3645 5.3645 6.2258 6.2258 6.2267 6.2267 8.6152 8.6152 8.6262 8.6262 10.4783 10.4783 10.4834 10.4834 k = 0.1591 0.0919 0.3078 ( 12190 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1248 -8.1248 -8.1234 -8.1234 -8.1147 -8.1147 -8.1104 -8.1104 -7.6870 -7.6870 -7.6787 -7.6787 -7.6514 -7.6514 -7.6505 -7.6505 -7.6426 -7.6426 -7.6421 -7.6421 -3.3410 -3.3410 -3.3401 -3.3401 3.1410 3.1410 3.1522 3.1522 5.2427 5.2427 5.2640 5.2640 6.1597 6.1597 6.1605 6.1605 8.5826 8.5826 8.5928 8.5928 10.6037 10.6037 10.6101 10.6101 k = 0.1705 0.0984 0.3078 ( 12206 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1250 -8.1250 -8.1234 -8.1234 -8.1144 -8.1144 -8.1100 -8.1100 -7.6871 -7.6871 -7.6784 -7.6784 -7.6514 -7.6514 -7.6505 -7.6505 -7.6425 -7.6425 -7.6418 -7.6418 -3.3059 -3.3059 -3.3051 -3.3051 3.0842 3.0842 3.0958 3.0958 5.1530 5.1530 5.1743 5.1743 6.0937 6.0937 6.0944 6.0944 8.5463 8.5463 8.5557 8.5557 10.7185 10.7185 10.7277 10.7277 k = 0.1818 0.1050 0.3078 ( 12200 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1252 -8.1252 -8.1235 -8.1235 -8.1142 -8.1142 -8.1097 -8.1097 -7.6871 -7.6871 -7.6782 -7.6782 -7.6514 -7.6514 -7.6505 -7.6505 -7.6423 -7.6423 -7.6416 -7.6416 -3.2686 -3.2686 -3.2677 -3.2677 3.0184 3.0184 3.0302 3.0302 5.0749 5.0749 5.0961 5.0961 6.0281 6.0281 6.0288 6.0288 8.5074 8.5074 8.5162 8.5162 10.8119 10.8119 10.8263 10.8263 k = 0.1932 0.1115 0.3078 ( 12208 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1253 -8.1253 -8.1236 -8.1236 -8.1139 -8.1139 -8.1094 -8.1094 -7.6872 -7.6872 -7.6779 -7.6779 -7.6513 -7.6513 -7.6505 -7.6505 -7.6422 -7.6422 -7.6413 -7.6413 -3.2290 -3.2290 -3.2282 -3.2282 2.9435 2.9435 2.9554 2.9554 5.0087 5.0087 5.0297 5.0297 5.9634 5.9634 5.9640 5.9640 8.4671 8.4671 8.4752 8.4752 10.8625 10.8625 10.8800 10.8800 k = 0.2045 0.1181 0.3078 ( 12200 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1255 -8.1255 -8.1236 -8.1236 -8.1136 -8.1136 -8.1091 -8.1091 -7.6872 -7.6872 -7.6777 -7.6777 -7.6513 -7.6513 -7.6505 -7.6505 -7.6420 -7.6420 -7.6409 -7.6409 -3.1873 -3.1873 -3.1865 -3.1865 2.8598 2.8598 2.8716 2.8716 4.9545 4.9545 4.9751 4.9751 5.8996 5.8996 5.9002 5.9002 8.4260 8.4260 8.4337 8.4337 10.8579 10.8579 10.8747 10.8747 k = 0.2159 0.1247 0.3078 ( 12200 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1257 -8.1257 -8.1237 -8.1237 -8.1133 -8.1133 -8.1088 -8.1088 -7.6872 -7.6872 -7.6775 -7.6775 -7.6513 -7.6513 -7.6506 -7.6506 -7.6417 -7.6417 -7.6406 -7.6406 -3.1435 -3.1435 -3.1427 -3.1427 2.7679 2.7679 2.7794 2.7794 4.9117 4.9117 4.9317 4.9317 5.8372 5.8372 5.8377 5.8377 8.3849 8.3849 8.3921 8.3921 10.8060 10.8060 10.8207 10.8207 k = 0.2273 0.1312 0.3078 ( 12196 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1258 -8.1258 -8.1237 -8.1237 -8.1130 -8.1130 -8.1085 -8.1085 -7.6871 -7.6871 -7.6774 -7.6774 -7.6513 -7.6513 -7.6506 -7.6506 -7.6415 -7.6415 -7.6403 -7.6403 -3.0976 -3.0976 -3.0969 -3.0969 2.6687 2.6687 2.6798 2.6798 4.8796 4.8796 4.8989 4.8989 5.7762 5.7762 5.7767 5.7767 8.3442 8.3442 8.3509 8.3509 10.7224 10.7224 10.7348 10.7348 k = 0.2386 0.1378 0.3078 ( 12198 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1259 -8.1259 -8.1238 -8.1238 -8.1127 -8.1127 -8.1083 -8.1083 -7.6871 -7.6871 -7.6773 -7.6773 -7.6513 -7.6513 -7.6507 -7.6507 -7.6412 -7.6412 -7.6399 -7.6399 -3.0498 -3.0498 -3.0490 -3.0490 2.5631 2.5631 2.5738 2.5738 4.8571 4.8571 4.8757 4.8757 5.7168 5.7168 5.7173 5.7173 8.3043 8.3043 8.3107 8.3107 10.6199 10.6199 10.6306 10.6306 k = 0.2500 0.1443 0.3078 ( 12194 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1261 -8.1261 -8.1238 -8.1238 -8.1124 -8.1124 -8.1081 -8.1081 -7.6870 -7.6870 -7.6772 -7.6772 -7.6513 -7.6513 -7.6508 -7.6508 -7.6409 -7.6409 -7.6395 -7.6395 -3.0001 -3.0001 -2.9993 -2.9993 2.4524 2.4524 2.4625 2.4625 4.8434 4.8434 4.8612 4.8612 5.6592 5.6592 5.6598 5.6598 8.2656 8.2656 8.2717 8.2717 10.5068 10.5068 10.5160 10.5160 k = 0.2614 0.1509 0.3078 ( 12206 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1262 -8.1262 -8.1239 -8.1239 -8.1121 -8.1121 -8.1078 -8.1078 -7.6869 -7.6869 -7.6771 -7.6771 -7.6513 -7.6513 -7.6508 -7.6508 -7.6406 -7.6406 -7.6391 -7.6391 -2.9485 -2.9485 -2.9479 -2.9479 2.3376 2.3376 2.3471 2.3471 4.8372 4.8372 4.8542 4.8542 5.6036 5.6036 5.6042 5.6042 8.2285 8.2285 8.2342 8.2342 10.3879 10.3879 10.3960 10.3960 k = 0.2727 0.1575 0.3078 ( 12198 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1262 -8.1262 -8.1239 -8.1239 -8.1118 -8.1118 -8.1077 -8.1077 -7.6868 -7.6868 -7.6771 -7.6771 -7.6514 -7.6514 -7.6509 -7.6509 -7.6403 -7.6403 -7.6387 -7.6387 -2.8953 -2.8953 -2.8947 -2.8947 2.2197 2.2197 2.2287 2.2287 4.8376 4.8376 4.8538 4.8538 5.5500 5.5500 5.5506 5.5506 8.1930 8.1930 8.1985 8.1985 10.2661 10.2661 10.2732 10.2732 k = 0.2841 0.1640 0.3078 ( 12194 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1263 -8.1263 -8.1240 -8.1240 -8.1115 -8.1115 -8.1075 -8.1075 -7.6866 -7.6866 -7.6771 -7.6771 -7.6514 -7.6514 -7.6510 -7.6510 -7.6400 -7.6400 -7.6384 -7.6384 -2.8405 -2.8405 -2.8400 -2.8400 2.0999 2.0999 2.1083 2.1083 4.8435 4.8435 4.8590 4.8590 5.4985 5.4985 5.4993 5.4993 8.1596 8.1596 8.1648 8.1648 10.1433 10.1433 10.1497 10.1497 k = 0.2955 0.1706 0.3078 ( 12198 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1264 -8.1264 -8.1240 -8.1240 -8.1112 -8.1112 -8.1074 -8.1074 -7.6865 -7.6865 -7.6772 -7.6772 -7.6514 -7.6514 -7.6511 -7.6511 -7.6396 -7.6396 -7.6380 -7.6380 -2.7843 -2.7843 -2.7838 -2.7838 1.9789 1.9789 1.9868 1.9868 4.8542 4.8542 4.8689 4.8689 5.4493 5.4493 5.4501 5.4501 8.1284 8.1284 8.1333 8.1333 10.0207 10.0207 10.0265 10.0265 k = 0.3068 0.1771 0.3078 ( 12194 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1264 -8.1264 -8.1241 -8.1241 -8.1109 -8.1109 -8.1072 -8.1072 -7.6863 -7.6863 -7.6772 -7.6772 -7.6514 -7.6514 -7.6511 -7.6511 -7.6393 -7.6393 -7.6376 -7.6376 -2.7269 -2.7269 -2.7265 -2.7265 1.8578 1.8578 1.8651 1.8651 4.8688 4.8688 4.8827 4.8827 5.4025 5.4025 5.4034 5.4034 8.0995 8.0995 8.1042 8.1042 9.8994 9.8994 9.9047 9.9047 k = 0.3182 0.1837 0.3078 ( 12196 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1264 -8.1264 -8.1241 -8.1241 -8.1107 -8.1107 -8.1071 -8.1071 -7.6861 -7.6861 -7.6773 -7.6773 -7.6514 -7.6514 -7.6512 -7.6512 -7.6389 -7.6389 -7.6372 -7.6372 -2.6684 -2.6684 -2.6680 -2.6680 1.7371 1.7371 1.7439 1.7439 4.8865 4.8865 4.8998 4.8998 5.3581 5.3581 5.3591 5.3591 8.0732 8.0732 8.0776 8.0776 9.7800 9.7800 9.7848 9.7848 k = 0.3295 0.1903 0.3078 ( 12192 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1265 -8.1265 -8.1242 -8.1242 -8.1104 -8.1104 -8.1071 -8.1071 -7.6859 -7.6859 -7.6774 -7.6774 -7.6514 -7.6514 -7.6513 -7.6513 -7.6386 -7.6386 -7.6369 -7.6369 -2.6091 -2.6091 -2.6088 -2.6088 1.6178 1.6178 1.6241 1.6241 4.9067 4.9067 4.9193 4.9193 5.3162 5.3162 5.3174 5.3174 8.0496 8.0496 8.0537 8.0537 9.6631 9.6631 9.6675 9.6675 k = 0.3409 0.1968 0.3078 ( 12178 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1265 -8.1265 -8.1243 -8.1243 -8.1101 -8.1101 -8.1070 -8.1070 -7.6856 -7.6856 -7.6776 -7.6776 -7.6514 -7.6514 -7.6513 -7.6513 -7.6382 -7.6382 -7.6366 -7.6366 -2.5493 -2.5493 -2.5491 -2.5491 1.5004 1.5004 1.5063 1.5063 4.9287 4.9287 4.9407 4.9407 5.2769 5.2769 5.2782 5.2782 8.0288 8.0288 8.0327 8.0327 9.5493 9.5493 9.5533 9.5533 k = 0.3523 0.2034 0.3078 ( 12186 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1264 -8.1264 -8.1243 -8.1243 -8.1099 -8.1099 -8.1069 -8.1069 -7.6854 -7.6854 -7.6778 -7.6778 -7.6514 -7.6514 -7.6514 -7.6514 -7.6378 -7.6378 -7.6363 -7.6363 -2.4893 -2.4893 -2.4891 -2.4891 1.3857 1.3857 1.3911 1.3911 4.9518 4.9518 4.9634 4.9634 5.2403 5.2403 5.2419 5.2419 8.0110 8.0110 8.0147 8.0147 9.4389 9.4389 9.4425 9.4425 k = 0.3636 0.2099 0.3078 ( 12204 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1264 -8.1264 -8.1244 -8.1244 -8.1097 -8.1097 -8.1069 -8.1069 -7.6851 -7.6851 -7.6780 -7.6780 -7.6514 -7.6514 -7.6514 -7.6514 -7.6375 -7.6375 -7.6360 -7.6360 -2.4294 -2.4294 -2.4293 -2.4293 1.2742 1.2742 1.2792 1.2792 4.9754 4.9754 4.9866 4.9866 5.2065 5.2065 5.2085 5.2085 7.9962 7.9962 7.9997 7.9997 9.3324 9.3324 9.3357 9.3357 k = 0.3750 0.2165 0.3078 ( 12214 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1264 -8.1264 -8.1245 -8.1245 -8.1094 -8.1094 -8.1069 -8.1069 -7.6849 -7.6849 -7.6782 -7.6782 -7.6515 -7.6515 -7.6515 -7.6515 -7.6372 -7.6372 -7.6357 -7.6357 -2.3702 -2.3702 -2.3701 -2.3701 1.1668 1.1668 1.1714 1.1714 4.9988 4.9988 5.0096 5.0096 5.1760 5.1760 5.1784 5.1784 7.9846 7.9846 7.9879 7.9879 9.2302 9.2302 9.2332 9.2332 k = 0.3864 0.2231 0.3078 ( 12214 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1264 -8.1264 -8.1246 -8.1246 -8.1092 -8.1092 -8.1069 -8.1069 -7.6846 -7.6846 -7.6784 -7.6784 -7.6515 -7.6515 -7.6515 -7.6515 -7.6368 -7.6368 -7.6355 -7.6355 -2.3120 -2.3120 -2.3120 -2.3120 1.0641 1.0641 1.0683 1.0683 5.0206 5.0206 5.0314 5.0314 5.1492 5.1492 5.1522 5.1522 7.9762 7.9762 7.9792 7.9792 9.1328 9.1328 9.1355 9.1355 k = 0.3977 0.2296 0.3078 ( 12210 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1263 -8.1263 -8.1247 -8.1247 -8.1090 -8.1090 -8.1069 -8.1069 -7.6843 -7.6843 -7.6787 -7.6787 -7.6515 -7.6515 -7.6515 -7.6515 -7.6365 -7.6365 -7.6352 -7.6352 -2.2556 -2.2556 -2.2555 -2.2555 0.9669 0.9669 0.9707 0.9707 5.0389 5.0389 5.0497 5.0497 5.1280 5.1280 5.1318 5.1318 7.9710 7.9710 7.9737 7.9737 9.0406 9.0406 9.0430 9.0430 k = 0.4091 0.2362 0.3078 ( 12210 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1262 -8.1262 -8.1247 -8.1247 -8.1088 -8.1088 -8.1069 -8.1069 -7.6840 -7.6840 -7.6790 -7.6790 -7.6516 -7.6516 -7.6515 -7.6515 -7.6362 -7.6362 -7.6350 -7.6350 -2.2015 -2.2015 -2.2014 -2.2014 0.8761 0.8761 0.8795 0.8795 5.0491 5.0491 5.0587 5.0587 5.1176 5.1176 5.1210 5.1210 7.9689 7.9689 7.9713 7.9713 8.9542 8.9542 8.9563 8.9563 k = 0.4205 0.2427 0.3078 ( 12226 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1262 -8.1262 -8.1248 -8.1248 -8.1086 -8.1086 -8.1070 -8.1070 -7.6837 -7.6837 -7.6792 -7.6792 -7.6516 -7.6516 -7.6515 -7.6515 -7.6359 -7.6359 -7.6349 -7.6349 -2.1506 -2.1506 -2.1505 -2.1505 0.7925 0.7925 0.7954 0.7954 5.0471 5.0471 5.0536 5.0536 5.1227 5.1227 5.1236 5.1236 7.9697 7.9697 7.9719 7.9719 8.8741 8.8741 8.8759 8.8759 k = 0.4318 0.2493 0.3078 ( 12222 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1261 -8.1261 -8.1249 -8.1249 -8.1084 -8.1084 -8.1070 -8.1070 -7.6834 -7.6834 -7.6795 -7.6795 -7.6516 -7.6516 -7.6515 -7.6515 -7.6357 -7.6357 -7.6348 -7.6348 -2.1037 -2.1037 -2.1035 -2.1035 0.7170 0.7170 0.7196 0.7196 5.0373 5.0373 5.0413 5.0413 5.1350 5.1350 5.1358 5.1358 7.9731 7.9731 7.9751 7.9751 8.8011 8.8011 8.8026 8.8026 k = 0.4432 0.2559 0.3078 ( 12226 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1260 -8.1260 -8.1250 -8.1250 -8.1083 -8.1083 -8.1071 -8.1071 -7.6831 -7.6831 -7.6798 -7.6798 -7.6516 -7.6516 -7.6515 -7.6515 -7.6354 -7.6354 -7.6347 -7.6347 -2.0617 -2.0617 -2.0615 -2.0615 0.6508 0.6508 0.6529 0.6529 5.0258 5.0258 5.0284 5.0284 5.1485 5.1485 5.1500 5.1500 7.9787 7.9787 7.9804 7.9804 8.7359 8.7359 8.7372 8.7372 k = 0.4545 0.2624 0.3078 ( 12220 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1259 -8.1259 -8.1251 -8.1251 -8.1081 -8.1081 -8.1072 -8.1072 -7.6828 -7.6828 -7.6802 -7.6802 -7.6516 -7.6516 -7.6515 -7.6515 -7.6352 -7.6352 -7.6346 -7.6346 -2.0255 -2.0255 -2.0254 -2.0254 0.5948 0.5948 0.5965 0.5965 5.0153 5.0153 5.0170 5.0170 5.1613 5.1613 5.1628 5.1628 7.9857 7.9857 7.9871 7.9871 8.6798 8.6798 8.6808 8.6808 k = 0.4659 0.2690 0.3078 ( 12228 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1258 -8.1258 -8.1252 -8.1252 -8.1080 -8.1080 -8.1072 -8.1072 -7.6824 -7.6824 -7.6805 -7.6805 -7.6516 -7.6516 -7.6515 -7.6515 -7.6350 -7.6350 -7.6346 -7.6346 -1.9961 -1.9961 -1.9960 -1.9960 0.5500 0.5500 0.5513 0.5513 5.0067 5.0067 5.0078 5.0078 5.1721 5.1721 5.1733 5.1733 7.9932 7.9932 7.9942 7.9942 8.6338 8.6338 8.6346 8.6346 k = 0.4773 0.2756 0.3078 ( 12236 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1257 -8.1257 -8.1253 -8.1253 -8.1078 -8.1078 -8.1073 -8.1073 -7.6821 -7.6821 -7.6808 -7.6808 -7.6516 -7.6516 -7.6516 -7.6516 -7.6349 -7.6349 -7.6346 -7.6346 -1.9744 -1.9744 -1.9744 -1.9744 0.5173 0.5173 0.5182 0.5182 5.0004 5.0004 5.0011 5.0011 5.1802 5.1802 5.1811 5.1811 7.9999 7.9999 8.0007 8.0007 8.5995 8.5995 8.6000 8.6000 k = 0.4886 0.2821 0.3078 ( 12232 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1256 -8.1256 -8.1254 -8.1254 -8.1077 -8.1077 -8.1074 -8.1074 -7.6818 -7.6818 -7.6811 -7.6811 -7.6516 -7.6516 -7.6516 -7.6516 -7.6348 -7.6348 -7.6346 -7.6346 -1.9611 -1.9611 -1.9611 -1.9611 0.4974 0.4974 0.4979 0.4979 4.9966 4.9966 4.9969 4.9969 5.1852 5.1852 5.1857 5.1857 8.0047 8.0047 8.0051 8.0051 8.5782 8.5782 8.5784 8.5784 k = 0.5000 0.2887 0.3078 ( 12228 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1255 -8.1255 -8.1255 -8.1255 -8.1076 -8.1076 -8.1076 -8.1076 -7.6814 -7.6814 -7.6814 -7.6814 -7.6516 -7.6516 -7.6516 -7.6516 -7.6347 -7.6347 -7.6347 -7.6347 -1.9566 -1.9566 -1.9566 -1.9566 0.4909 0.4909 0.4909 0.4909 4.9955 4.9955 4.9955 4.9955 5.1871 5.1871 5.1871 5.1871 8.0066 8.0066 8.0066 8.0066 8.5710 8.5710 8.5710 8.5710 k = 0.5000 0.2887 0.3078 ( 12228 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1255 -8.1255 -8.1255 -8.1255 -8.1076 -8.1076 -8.1076 -8.1076 -7.6814 -7.6814 -7.6814 -7.6814 -7.6516 -7.6516 -7.6516 -7.6516 -7.6347 -7.6347 -7.6347 -7.6347 -1.9566 -1.9566 -1.9566 -1.9566 0.4909 0.4909 0.4909 0.4909 4.9955 4.9955 4.9955 4.9955 5.1871 5.1871 5.1871 5.1871 8.0066 8.0066 8.0066 8.0066 8.5710 8.5710 8.5710 8.5710 k = 0.4936 0.2998 0.3078 ( 12224 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1262 -8.1262 -8.1249 -8.1249 -8.1078 -8.1078 -8.1073 -8.1073 -7.6822 -7.6822 -7.6807 -7.6807 -7.6518 -7.6518 -7.6513 -7.6513 -7.6349 -7.6349 -7.6345 -7.6345 -1.9557 -1.9557 -1.9555 -1.9555 0.4904 0.4904 0.4916 0.4916 4.9572 4.9572 4.9711 4.9711 5.2030 5.2030 5.2195 5.2195 8.0124 8.0124 8.0168 8.0168 8.5736 8.5736 8.5756 8.5756 k = 0.4872 0.3109 0.3078 ( 12226 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1268 -8.1268 -8.1242 -8.1242 -8.1080 -8.1080 -8.1071 -8.1071 -7.6829 -7.6829 -7.6799 -7.6799 -7.6520 -7.6520 -7.6511 -7.6511 -7.6351 -7.6351 -7.6343 -7.6343 -1.9529 -1.9529 -1.9526 -1.9526 0.4901 0.4901 0.4925 0.4925 4.8851 4.8851 4.9029 4.9029 5.2490 5.2490 5.2718 5.2718 8.0335 8.0335 8.0422 8.0422 8.5840 8.5840 8.5880 8.5880 k = 0.4808 0.3220 0.3078 ( 12218 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1274 -8.1274 -8.1236 -8.1236 -8.1082 -8.1082 -8.1069 -8.1069 -7.6836 -7.6836 -7.6792 -7.6792 -7.6522 -7.6522 -7.6509 -7.6509 -7.6353 -7.6353 -7.6342 -7.6342 -1.9482 -1.9482 -1.9477 -1.9477 0.4899 0.4899 0.4935 0.4935 4.7982 4.7982 4.8165 4.8165 5.3003 5.3003 5.3257 5.3257 8.0670 8.0670 8.0797 8.0797 8.6041 8.6041 8.6100 8.6100 k = 0.4744 0.3331 0.3078 ( 12206 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1280 -8.1280 -8.1229 -8.1229 -8.1084 -8.1084 -8.1067 -8.1067 -7.6843 -7.6843 -7.6784 -7.6784 -7.6524 -7.6524 -7.6506 -7.6506 -7.6356 -7.6356 -7.6340 -7.6340 -1.9417 -1.9417 -1.9409 -1.9409 0.4898 0.4898 0.4946 0.4946 4.7028 4.7028 4.7207 4.7207 5.3496 5.3496 5.3765 5.3765 8.1083 8.1083 8.1244 8.1244 8.6374 8.6374 8.6450 8.6450 k = 0.4679 0.3442 0.3078 ( 12214 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1286 -8.1286 -8.1223 -8.1223 -8.1086 -8.1086 -8.1065 -8.1065 -7.6850 -7.6850 -7.6776 -7.6776 -7.6526 -7.6526 -7.6504 -7.6504 -7.6358 -7.6358 -7.6339 -7.6339 -1.9333 -1.9333 -1.9323 -1.9323 0.4897 0.4897 0.4958 0.4958 4.6017 4.6017 4.6191 4.6191 5.3954 5.3954 5.4231 5.4231 8.1514 8.1514 8.1701 8.1701 8.6882 8.6882 8.6968 8.6968 k = 0.4615 0.3553 0.3078 ( 12206 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1291 -8.1291 -8.1216 -8.1216 -8.1088 -8.1088 -8.1062 -8.1062 -7.6856 -7.6856 -7.6769 -7.6769 -7.6528 -7.6528 -7.6501 -7.6501 -7.6361 -7.6361 -7.6338 -7.6338 -1.9230 -1.9230 -1.9218 -1.9218 0.4896 0.4896 0.4969 0.4969 4.4967 4.4967 4.5135 4.5135 5.4373 5.4373 5.4656 5.4656 8.1906 8.1906 8.2105 8.2105 8.7608 8.7608 8.7695 8.7695 k = 0.4551 0.3664 0.3078 ( 12206 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1296 -8.1296 -8.1210 -8.1210 -8.1091 -8.1091 -8.1060 -8.1060 -7.6862 -7.6862 -7.6762 -7.6762 -7.6529 -7.6529 -7.6499 -7.6499 -7.6364 -7.6364 -7.6337 -7.6337 -1.9111 -1.9111 -1.9096 -1.9096 0.4893 0.4893 0.4979 0.4979 4.3892 4.3892 4.4057 4.4057 5.4760 5.4760 5.5045 5.5045 8.2219 8.2219 8.2419 8.2419 8.8570 8.8570 8.8649 8.8649 k = 0.4487 0.3775 0.3078 ( 12192 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1301 -8.1301 -8.1203 -8.1203 -8.1092 -8.1092 -8.1058 -8.1058 -7.6868 -7.6868 -7.6755 -7.6755 -7.6530 -7.6530 -7.6497 -7.6497 -7.6367 -7.6367 -7.6337 -7.6337 -1.8974 -1.8974 -1.8958 -1.8958 0.4887 0.4887 0.4986 0.4986 4.2805 4.2805 4.2969 4.2969 5.5118 5.5118 5.5405 5.5405 8.2444 8.2444 8.2635 8.2635 8.9753 8.9753 8.9821 8.9821 k = 0.4423 0.3886 0.3078 ( 12196 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1306 -8.1306 -8.1197 -8.1197 -8.1094 -8.1094 -8.1056 -8.1056 -7.6874 -7.6874 -7.6749 -7.6749 -7.6531 -7.6531 -7.6494 -7.6494 -7.6370 -7.6370 -7.6336 -7.6336 -1.8822 -1.8822 -1.8803 -1.8803 0.4877 0.4877 0.4989 0.4989 4.1719 4.1719 4.1884 4.1884 5.5453 5.5453 5.5742 5.5742 8.2587 8.2587 8.2768 8.2768 9.1127 9.1127 9.1185 9.1185 k = 0.4359 0.3997 0.3078 ( 12196 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1310 -8.1310 -8.1192 -8.1192 -8.1096 -8.1096 -8.1054 -8.1054 -7.6879 -7.6879 -7.6742 -7.6742 -7.6532 -7.6532 -7.6492 -7.6492 -7.6374 -7.6374 -7.6336 -7.6336 -1.8655 -1.8655 -1.8633 -1.8633 0.4861 0.4861 0.4987 0.4987 4.0644 4.0644 4.0812 4.0812 5.5769 5.5769 5.6059 5.6059 8.2664 8.2664 8.2835 8.2835 9.2654 9.2654 9.2708 9.2708 k = 0.4295 0.4108 0.3078 ( 12200 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1314 -8.1314 -8.1186 -8.1186 -8.1098 -8.1098 -8.1052 -8.1052 -7.6883 -7.6883 -7.6737 -7.6737 -7.6532 -7.6532 -7.6490 -7.6490 -7.6377 -7.6377 -7.6335 -7.6335 -1.8474 -1.8474 -1.8449 -1.8449 0.4839 0.4839 0.4978 0.4978 3.9590 3.9590 3.9763 3.9763 5.6071 5.6071 5.6361 5.6361 8.2689 8.2689 8.2850 8.2850 9.4305 9.4305 9.4359 9.4359 k = 0.4231 0.4219 0.3078 ( 12192 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1318 -8.1318 -8.1181 -8.1181 -8.1099 -8.1099 -8.1050 -8.1050 -7.6888 -7.6888 -7.6731 -7.6731 -7.6532 -7.6532 -7.6488 -7.6488 -7.6380 -7.6380 -7.6335 -7.6335 -1.8280 -1.8280 -1.8253 -1.8253 0.4807 0.4807 0.4961 0.4961 3.8567 3.8567 3.8746 3.8746 5.6361 5.6361 5.6652 5.6652 8.2671 8.2671 8.2827 8.2827 9.6053 9.6053 9.6111 9.6111 k = 0.4167 0.4330 0.3078 ( 12204 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1321 -8.1321 -8.1176 -8.1176 -8.1101 -8.1101 -8.1048 -8.1048 -7.6892 -7.6892 -7.6726 -7.6726 -7.6532 -7.6532 -7.6486 -7.6486 -7.6384 -7.6384 -7.6335 -7.6335 -1.8076 -1.8076 -1.8047 -1.8047 0.4766 0.4766 0.4934 0.4934 3.7584 3.7584 3.7769 3.7769 5.6641 5.6641 5.6933 5.6933 8.2621 8.2621 8.2771 8.2771 9.7871 9.7871 9.7936 9.7936 k = 0.4103 0.4441 0.3078 ( 12200 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1324 -8.1324 -8.1172 -8.1172 -8.1102 -8.1102 -8.1046 -8.1046 -7.6895 -7.6895 -7.6722 -7.6722 -7.6531 -7.6531 -7.6484 -7.6484 -7.6387 -7.6387 -7.6335 -7.6335 -1.7864 -1.7864 -1.7831 -1.7831 0.4714 0.4714 0.4895 0.4895 3.6647 3.6647 3.6840 3.6840 5.6911 5.6911 5.7205 5.7205 8.2542 8.2542 8.2689 8.2689 9.9733 9.9733 9.9805 9.9805 k = 0.4038 0.4552 0.3078 ( 12198 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1327 -8.1327 -8.1167 -8.1167 -8.1104 -8.1104 -8.1045 -8.1045 -7.6898 -7.6898 -7.6718 -7.6718 -7.6531 -7.6531 -7.6482 -7.6482 -7.6390 -7.6390 -7.6334 -7.6334 -1.7645 -1.7645 -1.7608 -1.7608 0.4649 0.4649 0.4845 0.4845 3.5765 3.5765 3.5966 3.5966 5.7173 5.7173 5.7469 5.7469 8.2440 8.2440 8.2585 8.2585 10.1600 10.1600 10.1681 10.1681 k = 0.3974 0.4663 0.3078 ( 12194 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1330 -8.1330 -8.1164 -8.1164 -8.1105 -8.1105 -8.1043 -8.1043 -7.6901 -7.6901 -7.6715 -7.6715 -7.6529 -7.6529 -7.6480 -7.6480 -7.6393 -7.6393 -7.6334 -7.6334 -1.7421 -1.7421 -1.7382 -1.7382 0.4572 0.4572 0.4781 0.4781 3.4943 3.4943 3.5152 3.5152 5.7426 5.7426 5.7724 5.7724 8.2319 8.2319 8.2464 8.2464 10.3411 10.3411 10.3503 10.3503 k = 0.3910 0.4774 0.3078 ( 12190 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1332 -8.1332 -8.1161 -8.1161 -8.1105 -8.1105 -8.1041 -8.1041 -7.6904 -7.6904 -7.6712 -7.6712 -7.6528 -7.6528 -7.6478 -7.6478 -7.6396 -7.6396 -7.6334 -7.6334 -1.7197 -1.7197 -1.7154 -1.7154 0.4483 0.4483 0.4705 0.4705 3.4189 3.4189 3.4406 3.4406 5.7668 5.7668 5.7968 5.7968 8.2183 8.2183 8.2329 8.2329 10.5049 10.5049 10.5154 10.5154 k = 0.3846 0.4885 0.3078 ( 12190 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1334 -8.1334 -8.1158 -8.1158 -8.1106 -8.1106 -8.1040 -8.1040 -7.6906 -7.6906 -7.6710 -7.6710 -7.6527 -7.6527 -7.6477 -7.6477 -7.6399 -7.6399 -7.6334 -7.6334 -1.6976 -1.6976 -1.6929 -1.6929 0.4382 0.4382 0.4618 0.4618 3.3506 3.3506 3.3731 3.3731 5.7898 5.7898 5.8201 5.8201 8.2037 8.2037 8.2184 8.2184 10.6324 10.6324 10.6440 10.6440 k = 0.3782 0.4996 0.3078 ( 12190 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1336 -8.1336 -8.1156 -8.1156 -8.1107 -8.1107 -8.1038 -8.1038 -7.6907 -7.6907 -7.6708 -7.6708 -7.6525 -7.6525 -7.6476 -7.6476 -7.6401 -7.6401 -7.6334 -7.6334 -1.6760 -1.6760 -1.6710 -1.6710 0.4273 0.4273 0.4520 0.4520 3.2900 3.2900 3.3132 3.3132 5.8114 5.8114 5.8420 5.8420 8.1884 8.1884 8.2033 8.2033 10.7068 10.7068 10.7195 10.7195 k = 0.3718 0.5107 0.3078 ( 12190 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1337 -8.1337 -8.1154 -8.1154 -8.1107 -8.1107 -8.1037 -8.1037 -7.6909 -7.6909 -7.6706 -7.6706 -7.6524 -7.6524 -7.6475 -7.6475 -7.6403 -7.6403 -7.6334 -7.6334 -1.6556 -1.6556 -1.6502 -1.6502 0.4157 0.4157 0.4415 0.4415 3.2372 3.2372 3.2611 3.2611 5.8312 5.8312 5.8621 5.8621 8.1731 8.1731 8.1882 8.1882 10.7350 10.7350 10.7493 10.7493 k = 0.3654 0.5218 0.3078 ( 12200 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1338 -8.1338 -8.1152 -8.1152 -8.1107 -8.1107 -8.1036 -8.1036 -7.6910 -7.6910 -7.6705 -7.6705 -7.6523 -7.6523 -7.6474 -7.6474 -7.6405 -7.6405 -7.6335 -7.6335 -1.6367 -1.6367 -1.6310 -1.6310 0.4039 0.4039 0.4307 0.4307 3.1927 3.1927 3.2171 3.2171 5.8490 5.8490 5.8802 5.8802 8.1583 8.1583 8.1737 8.1737 10.7384 10.7384 10.7540 10.7540 k = 0.3590 0.5329 0.3078 ( 12200 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1339 -8.1339 -8.1151 -8.1151 -8.1107 -8.1107 -8.1035 -8.1035 -7.6911 -7.6911 -7.6704 -7.6704 -7.6521 -7.6521 -7.6473 -7.6473 -7.6407 -7.6407 -7.6335 -7.6335 -1.6199 -1.6199 -1.6140 -1.6140 0.3926 0.3926 0.4202 0.4202 3.1564 3.1564 3.1813 3.1813 5.8644 5.8644 5.8959 5.8959 8.1446 8.1446 8.1603 8.1603 10.7319 10.7319 10.7486 10.7486 k = 0.3526 0.5440 0.3078 ( 12198 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1340 -8.1340 -8.1150 -8.1150 -8.1108 -8.1108 -8.1034 -8.1034 -7.6912 -7.6912 -7.6704 -7.6704 -7.6520 -7.6520 -7.6473 -7.6473 -7.6408 -7.6408 -7.6335 -7.6335 -1.6058 -1.6058 -1.5996 -1.5996 0.3823 0.3823 0.4106 0.4106 3.1284 3.1284 3.1537 3.1537 5.8769 5.8769 5.9087 5.9087 8.1328 8.1328 8.1488 8.1488 10.7231 10.7231 10.7404 10.7404 k = 0.3462 0.5551 0.3078 ( 12194 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1341 -8.1341 -8.1150 -8.1150 -8.1108 -8.1108 -8.1034 -8.1034 -7.6912 -7.6912 -7.6703 -7.6703 -7.6520 -7.6520 -7.6472 -7.6472 -7.6408 -7.6408 -7.6335 -7.6335 -1.5950 -1.5950 -1.5886 -1.5886 0.3740 0.3740 0.4027 0.4027 3.1087 3.1087 3.1342 3.1342 5.8864 5.8864 5.9183 5.9183 8.1235 8.1235 8.1397 8.1397 10.7154 10.7154 10.7331 10.7331 k = 0.3397 0.5662 0.3078 ( 12194 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1341 -8.1341 -8.1149 -8.1149 -8.1108 -8.1108 -8.1033 -8.1033 -7.6912 -7.6912 -7.6703 -7.6703 -7.6519 -7.6519 -7.6472 -7.6472 -7.6409 -7.6409 -7.6335 -7.6335 -1.5881 -1.5881 -1.5816 -1.5816 0.3683 0.3683 0.3973 0.3973 3.0970 3.0970 3.1227 3.1227 5.8923 5.8923 5.9243 5.9243 8.1175 8.1175 8.1337 8.1337 10.7103 10.7103 10.7282 10.7282 k = 0.3333 0.5774 0.3078 ( 12192 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1341 -8.1341 -8.1149 -8.1149 -8.1108 -8.1108 -8.1033 -8.1033 -7.6912 -7.6912 -7.6703 -7.6703 -7.6519 -7.6519 -7.6472 -7.6472 -7.6409 -7.6409 -7.6335 -7.6335 -1.5857 -1.5857 -1.5791 -1.5791 0.3662 0.3662 0.3953 0.3953 3.0931 3.0931 3.1189 3.1189 5.8943 5.8943 5.9264 5.9264 8.1153 8.1153 8.1316 8.1316 10.7086 10.7086 10.7264 10.7264 k = 0.3333 0.5774 0.3078 ( 12192 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1341 -8.1341 -8.1149 -8.1149 -8.1108 -8.1108 -8.1033 -8.1033 -7.6912 -7.6912 -7.6703 -7.6703 -7.6519 -7.6519 -7.6472 -7.6472 -7.6409 -7.6409 -7.6335 -7.6335 -1.5857 -1.5857 -1.5791 -1.5791 0.3662 0.3662 0.3953 0.3953 3.0931 3.0931 3.1189 3.1189 5.8943 5.8943 5.9264 5.9264 8.1153 8.1153 8.1316 8.1316 10.7086 10.7086 10.7264 10.7264 k = 0.3268 0.5660 0.3078 ( 12196 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1341 -8.1341 -8.1149 -8.1149 -8.1108 -8.1108 -8.1033 -8.1033 -7.6912 -7.6912 -7.6703 -7.6703 -7.6519 -7.6519 -7.6472 -7.6472 -7.6409 -7.6409 -7.6335 -7.6335 -1.5884 -1.5884 -1.5819 -1.5819 0.3686 0.3686 0.3977 0.3977 3.0970 3.0970 3.1227 3.1227 5.8921 5.8921 5.9242 5.9242 8.1177 8.1177 8.1340 8.1340 10.7104 10.7104 10.7282 10.7282 k = 0.3203 0.5547 0.3078 ( 12202 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1341 -8.1341 -8.1150 -8.1150 -8.1108 -8.1108 -8.1034 -8.1034 -7.6912 -7.6912 -7.6703 -7.6703 -7.6520 -7.6520 -7.6472 -7.6472 -7.6409 -7.6409 -7.6335 -7.6335 -1.5967 -1.5967 -1.5903 -1.5903 0.3765 0.3765 0.4053 0.4053 3.1084 3.1084 3.1340 3.1340 5.8854 5.8854 5.9173 5.9173 8.1254 8.1254 8.1415 8.1415 10.7158 10.7158 10.7336 10.7336 k = 0.3137 0.5434 0.3078 ( 12198 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1340 -8.1340 -8.1150 -8.1150 -8.1108 -8.1108 -8.1034 -8.1034 -7.6912 -7.6912 -7.6703 -7.6703 -7.6520 -7.6520 -7.6472 -7.6472 -7.6408 -7.6408 -7.6335 -7.6335 -1.6110 -1.6110 -1.6049 -1.6049 0.3906 0.3906 0.4188 0.4188 3.1269 3.1269 3.1523 3.1523 5.8740 5.8740 5.9057 5.9057 8.1388 8.1388 8.1546 8.1546 10.7246 10.7246 10.7421 10.7421 k = 0.3072 0.5321 0.3078 ( 12182 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1340 -8.1340 -8.1151 -8.1151 -8.1108 -8.1108 -8.1035 -8.1035 -7.6911 -7.6911 -7.6704 -7.6704 -7.6521 -7.6521 -7.6472 -7.6472 -7.6408 -7.6408 -7.6335 -7.6335 -1.6313 -1.6313 -1.6255 -1.6255 0.4112 0.4112 0.4388 0.4388 3.1522 3.1522 3.1773 3.1773 5.8580 5.8580 5.8894 5.8894 8.1581 8.1581 8.1736 8.1736 10.7362 10.7362 10.7535 10.7535 k = 0.3007 0.5207 0.3078 ( 12182 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1339 -8.1339 -8.1151 -8.1151 -8.1108 -8.1108 -8.1036 -8.1036 -7.6911 -7.6911 -7.6704 -7.6704 -7.6523 -7.6523 -7.6473 -7.6473 -7.6407 -7.6407 -7.6335 -7.6335 -1.6577 -1.6577 -1.6523 -1.6523 0.4389 0.4389 0.4657 0.4657 3.1838 3.1838 3.2086 3.2086 5.8375 5.8375 5.8684 5.8684 8.1836 8.1836 8.1986 8.1986 10.7500 10.7500 10.7670 10.7670 k = 0.2941 0.5094 0.3078 ( 12184 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1338 -8.1338 -8.1152 -8.1152 -8.1108 -8.1108 -8.1037 -8.1037 -7.6910 -7.6910 -7.6705 -7.6705 -7.6524 -7.6524 -7.6473 -7.6473 -7.6407 -7.6407 -7.6335 -7.6335 -1.6900 -1.6900 -1.6850 -1.6850 0.4736 0.4736 0.4996 0.4996 3.2214 3.2214 3.2458 3.2458 5.8127 5.8127 5.8431 5.8431 8.2152 8.2152 8.2297 8.2297 10.7650 10.7650 10.7817 10.7817 k = 0.2876 0.4981 0.3078 ( 12184 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1337 -8.1337 -8.1153 -8.1153 -8.1108 -8.1108 -8.1039 -8.1039 -7.6909 -7.6909 -7.6705 -7.6705 -7.6525 -7.6525 -7.6473 -7.6473 -7.6407 -7.6407 -7.6335 -7.6335 -1.7277 -1.7277 -1.7233 -1.7233 0.5154 0.5154 0.5404 0.5404 3.2647 3.2647 3.2886 3.2886 5.7838 5.7838 5.8138 5.8138 8.2528 8.2528 8.2667 8.2667 10.7803 10.7803 10.7966 10.7966 k = 0.2810 0.4868 0.3078 ( 12168 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1335 -8.1335 -8.1154 -8.1154 -8.1108 -8.1108 -8.1040 -8.1040 -7.6909 -7.6909 -7.6706 -7.6706 -7.6527 -7.6527 -7.6473 -7.6473 -7.6407 -7.6407 -7.6336 -7.6336 -1.7705 -1.7705 -1.7665 -1.7665 0.5641 0.5641 0.5882 0.5882 3.3131 3.3131 3.3366 3.3366 5.7513 5.7513 5.7808 5.7808 8.2963 8.2963 8.3096 8.3096 10.7941 10.7941 10.8100 10.8100 k = 0.2745 0.4755 0.3078 ( 12170 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1334 -8.1334 -8.1156 -8.1156 -8.1109 -8.1109 -8.1042 -8.1042 -7.6908 -7.6908 -7.6707 -7.6707 -7.6528 -7.6528 -7.6473 -7.6473 -7.6407 -7.6407 -7.6336 -7.6336 -1.8178 -1.8178 -1.8143 -1.8143 0.6194 0.6194 0.6425 0.6425 3.3665 3.3665 3.3895 3.3895 5.7157 5.7157 5.7446 5.7446 8.3452 8.3452 8.3580 8.3580 10.8045 10.8045 10.8200 10.8200 k = 0.2680 0.4641 0.3078 ( 12162 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1332 -8.1332 -8.1157 -8.1157 -8.1109 -8.1109 -8.1043 -8.1043 -7.6907 -7.6907 -7.6708 -7.6708 -7.6529 -7.6529 -7.6473 -7.6473 -7.6407 -7.6407 -7.6337 -7.6337 -1.8690 -1.8690 -1.8659 -1.8659 0.6811 0.6811 0.7031 0.7031 3.4244 3.4244 3.4470 3.4470 5.6773 5.6773 5.7057 5.7057 8.3993 8.3993 8.4116 8.4116 10.8087 10.8087 10.8239 10.8239 k = 0.2614 0.4528 0.3078 ( 12174 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1331 -8.1331 -8.1159 -8.1159 -8.1109 -8.1109 -8.1045 -8.1045 -7.6906 -7.6906 -7.6709 -7.6709 -7.6531 -7.6531 -7.6473 -7.6473 -7.6408 -7.6408 -7.6338 -7.6338 -1.9236 -1.9236 -1.9209 -1.9209 0.7486 0.7486 0.7697 0.7697 3.4866 3.4866 3.5087 3.5087 5.6367 5.6367 5.6647 5.6647 8.4580 8.4580 8.4699 8.4699 10.8038 10.8038 10.8188 10.8188 k = 0.2549 0.4415 0.3078 ( 12178 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1329 -8.1329 -8.1161 -8.1161 -8.1109 -8.1109 -8.1047 -8.1047 -7.6905 -7.6905 -7.6710 -7.6710 -7.6532 -7.6532 -7.6473 -7.6473 -7.6408 -7.6408 -7.6339 -7.6339 -1.9809 -1.9809 -1.9786 -1.9786 0.8216 0.8216 0.8418 0.8418 3.5528 3.5528 3.5745 3.5745 5.5943 5.5943 5.6220 5.6220 8.5209 8.5209 8.5324 8.5324 10.7871 10.7871 10.8021 10.8021 k = 0.2484 0.4302 0.3078 ( 12194 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1327 -8.1327 -8.1163 -8.1163 -8.1110 -8.1110 -8.1049 -8.1049 -7.6904 -7.6904 -7.6712 -7.6712 -7.6533 -7.6533 -7.6473 -7.6473 -7.6409 -7.6409 -7.6340 -7.6340 -2.0405 -2.0405 -2.0386 -2.0386 0.8997 0.8997 0.9190 0.9190 3.6228 3.6228 3.6440 3.6440 5.5508 5.5508 5.5782 5.5782 8.5874 8.5874 8.5987 8.5987 10.7573 10.7573 10.7727 10.7727 k = 0.2418 0.4189 0.3078 ( 12206 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1325 -8.1325 -8.1165 -8.1165 -8.1110 -8.1110 -8.1051 -8.1051 -7.6903 -7.6903 -7.6713 -7.6713 -7.6534 -7.6534 -7.6473 -7.6473 -7.6411 -7.6411 -7.6341 -7.6341 -2.1018 -2.1018 -2.1002 -2.1002 0.9825 0.9825 1.0010 1.0010 3.6962 3.6962 3.7169 3.7169 5.5065 5.5065 5.5338 5.5338 8.6568 8.6568 8.6681 8.6681 10.7155 10.7155 10.7311 10.7311 k = 0.2353 0.4075 0.3078 ( 12214 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1323 -8.1323 -8.1167 -8.1167 -8.1111 -8.1111 -8.1053 -8.1053 -7.6902 -7.6902 -7.6715 -7.6715 -7.6534 -7.6534 -7.6473 -7.6473 -7.6412 -7.6412 -7.6343 -7.6343 -2.1644 -2.1644 -2.1630 -2.1630 1.0696 1.0696 1.0873 1.0873 3.7728 3.7728 3.7931 3.7931 5.4621 5.4621 5.4893 5.4893 8.7284 8.7284 8.7399 8.7399 10.6645 10.6645 10.6800 10.6800 k = 0.2288 0.3962 0.3078 ( 12218 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1321 -8.1321 -8.1170 -8.1170 -8.1111 -8.1111 -8.1055 -8.1055 -7.6901 -7.6901 -7.6717 -7.6717 -7.6535 -7.6535 -7.6474 -7.6474 -7.6413 -7.6413 -7.6345 -7.6345 -2.2278 -2.2278 -2.2266 -2.2266 1.1607 1.1607 1.1776 1.1776 3.8523 3.8523 3.8722 3.8722 5.4179 5.4179 5.4452 5.4452 8.8015 8.8015 8.8135 8.8135 10.6078 10.6078 10.6224 10.6224 k = 0.2222 0.3849 0.3078 ( 12200 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1318 -8.1318 -8.1173 -8.1173 -8.1112 -8.1112 -8.1057 -8.1057 -7.6899 -7.6899 -7.6719 -7.6719 -7.6535 -7.6535 -7.6474 -7.6474 -7.6415 -7.6415 -7.6347 -7.6347 -2.2917 -2.2917 -2.2906 -2.2906 1.2553 1.2553 1.2716 1.2716 3.9344 3.9344 3.9541 3.9541 5.3744 5.3744 5.4021 5.4021 8.8749 8.8749 8.8878 8.8878 10.5482 10.5482 10.5616 10.5616 k = 0.2157 0.3736 0.3078 ( 12202 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1316 -8.1316 -8.1175 -8.1175 -8.1113 -8.1113 -8.1059 -8.1059 -7.6898 -7.6898 -7.6722 -7.6722 -7.6535 -7.6535 -7.6474 -7.6474 -7.6417 -7.6417 -7.6349 -7.6349 -2.3557 -2.3557 -2.3548 -2.3548 1.3532 1.3532 1.3689 1.3689 4.0189 4.0189 4.0383 4.0383 5.3323 5.3323 5.3605 5.3605 8.9477 8.9477 8.9618 8.9618 10.4884 10.4884 10.5000 10.5000 k = 0.2092 0.3623 0.3078 ( 12202 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1313 -8.1313 -8.1178 -8.1178 -8.1114 -8.1114 -8.1061 -8.1061 -7.6897 -7.6897 -7.6724 -7.6724 -7.6535 -7.6535 -7.6475 -7.6475 -7.6419 -7.6419 -7.6351 -7.6351 -2.4196 -2.4196 -2.4188 -2.4188 1.4539 1.4539 1.4690 1.4690 4.1053 4.1053 4.1247 4.1247 5.2920 5.2920 5.3209 5.3209 9.0184 9.0184 9.0342 9.0342 10.4299 10.4299 10.4402 10.4402 k = 0.2026 0.3509 0.3078 ( 12198 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1310 -8.1310 -8.1181 -8.1181 -8.1115 -8.1115 -8.1062 -8.1062 -7.6895 -7.6895 -7.6727 -7.6727 -7.6535 -7.6535 -7.6475 -7.6475 -7.6420 -7.6420 -7.6354 -7.6354 -2.4830 -2.4830 -2.4822 -2.4822 1.5572 1.5572 1.5717 1.5717 4.1933 4.1933 4.2129 4.2129 5.2541 5.2541 5.2841 5.2841 9.0853 9.0853 9.1035 9.1035 10.3739 10.3739 10.3844 10.3844 k = 0.1961 0.3396 0.3078 ( 12190 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1308 -8.1308 -8.1184 -8.1184 -8.1116 -8.1116 -8.1064 -8.1064 -7.6894 -7.6894 -7.6729 -7.6729 -7.6534 -7.6534 -7.6476 -7.6476 -7.6422 -7.6422 -7.6357 -7.6357 -2.5458 -2.5458 -2.5451 -2.5451 1.6625 1.6625 1.6766 1.6766 4.2822 4.2822 4.3025 4.3025 5.2193 5.2193 5.2508 5.2508 9.1465 9.1465 9.1679 9.1679 10.3212 10.3212 10.3348 10.3348 k = 0.1895 0.3283 0.3078 ( 12184 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1305 -8.1305 -8.1188 -8.1188 -8.1117 -8.1117 -8.1066 -8.1066 -7.6893 -7.6893 -7.6732 -7.6732 -7.6533 -7.6533 -7.6476 -7.6476 -7.6424 -7.6424 -7.6360 -7.6360 -2.6077 -2.6077 -2.6070 -2.6070 1.7695 1.7695 1.7833 1.7833 4.3714 4.3714 4.3928 4.3928 5.1884 5.1884 5.2219 5.2219 9.1998 9.1998 9.2251 9.2251 10.2731 10.2731 10.2923 10.2923 k = 0.1830 0.3170 0.3078 ( 12180 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1302 -8.1302 -8.1191 -8.1191 -8.1119 -8.1119 -8.1068 -8.1068 -7.6891 -7.6891 -7.6735 -7.6735 -7.6533 -7.6533 -7.6477 -7.6477 -7.6426 -7.6426 -7.6363 -7.6363 -2.6685 -2.6685 -2.6678 -2.6678 1.8778 1.8778 1.8912 1.8912 4.4598 4.4598 4.4832 4.4832 5.1626 5.1626 5.1988 5.1988 9.2431 9.2431 9.2731 9.2731 10.2307 10.2307 10.2573 10.2573 k = 0.1765 0.3057 0.3078 ( 12180 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1299 -8.1299 -8.1194 -8.1194 -8.1120 -8.1120 -8.1070 -8.1070 -7.6890 -7.6890 -7.6739 -7.6739 -7.6532 -7.6532 -7.6478 -7.6478 -7.6428 -7.6428 -7.6366 -7.6366 -2.7281 -2.7281 -2.7274 -2.7274 1.9868 1.9868 2.0000 2.0000 4.5460 4.5460 4.5724 4.5724 5.1434 5.1434 5.1833 5.1833 9.2745 9.2745 9.3096 9.3096 10.1945 10.1945 10.2294 10.2294 k = 0.1699 0.2943 0.3078 ( 12188 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1296 -8.1296 -8.1197 -8.1197 -8.1122 -8.1122 -8.1072 -8.1072 -7.6889 -7.6889 -7.6742 -7.6742 -7.6531 -7.6531 -7.6479 -7.6479 -7.6429 -7.6429 -7.6370 -7.6370 -2.7863 -2.7863 -2.7856 -2.7856 2.0961 2.0961 2.1090 2.1090 4.6279 4.6279 4.6585 4.6585 5.1332 5.1332 5.1776 5.1776 9.2932 9.2932 9.3334 9.3334 10.1640 10.1640 10.2071 10.2071 k = 0.1634 0.2830 0.3078 ( 12194 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1293 -8.1293 -8.1200 -8.1200 -8.1124 -8.1124 -8.1073 -8.1073 -7.6887 -7.6887 -7.6745 -7.6745 -7.6530 -7.6530 -7.6481 -7.6481 -7.6430 -7.6430 -7.6374 -7.6374 -2.8431 -2.8431 -2.8423 -2.8423 2.2049 2.2049 2.2177 2.2177 4.7026 4.7026 4.7383 4.7383 5.1356 5.1356 5.1850 5.1850 9.2992 9.2992 9.3440 9.3440 10.1376 10.1376 10.1880 10.1880 k = 0.1569 0.2717 0.3078 ( 12190 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1289 -8.1289 -8.1203 -8.1203 -8.1126 -8.1126 -8.1076 -8.1076 -7.6886 -7.6886 -7.6749 -7.6749 -7.6528 -7.6528 -7.6482 -7.6482 -7.6432 -7.6432 -7.6378 -7.6378 -2.8982 -2.8982 -2.8974 -2.8974 2.3127 2.3127 2.3254 2.3254 4.7671 4.7671 4.8075 4.8075 5.1554 5.1554 5.2089 5.2089 9.2938 9.2938 9.3423 9.3423 10.1133 10.1133 10.1694 10.1694 k = 0.1503 0.2604 0.3078 ( 12192 PWs) bands (ev): -39.8664 -39.8664 -39.8664 -39.8664 -8.1286 -8.1286 -8.1206 -8.1206 -8.1128 -8.1128 -8.1078 -8.1078 -7.6885 -7.6885 -7.6752 -7.6752 -7.6527 -7.6527 -7.6483 -7.6483 -7.6433 -7.6433 -7.6381 -7.6381 -2.9516 -2.9516 -2.9508 -2.9508 2.4187 2.4187 2.4313 2.4313 4.8200 4.8200 4.8623 4.8623 5.1968 5.1968 5.2514 5.2514 9.2789 9.2789 9.3301 9.3301 10.0889 10.0889 10.1489 10.1489 k = 0.1438 0.2491 0.3078 ( 12192 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1283 -8.1283 -8.1209 -8.1209 -8.1130 -8.1130 -8.1080 -8.1080 -7.6883 -7.6883 -7.6756 -7.6756 -7.6526 -7.6526 -7.6485 -7.6485 -7.6433 -7.6433 -7.6385 -7.6385 -3.0032 -3.0032 -3.0023 -3.0023 2.5220 2.5220 2.5346 2.5346 4.8626 4.8626 4.9039 4.9039 5.2592 5.2592 5.3116 5.3116 9.2566 9.2566 9.3096 9.3096 10.0630 10.0630 10.1252 10.1252 k = 0.1373 0.2377 0.3078 ( 12198 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1279 -8.1279 -8.1211 -8.1211 -8.1133 -8.1133 -8.1082 -8.1082 -7.6882 -7.6882 -7.6759 -7.6759 -7.6525 -7.6525 -7.6487 -7.6487 -7.6434 -7.6434 -7.6390 -7.6390 -3.0529 -3.0529 -3.0520 -3.0520 2.6218 2.6218 2.6344 2.6344 4.8993 4.8993 4.9379 4.9379 5.3375 5.3375 5.3858 5.3858 9.2288 9.2288 9.2828 9.2828 10.0351 10.0351 10.0981 10.0981 k = 0.1307 0.2264 0.3078 ( 12186 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1276 -8.1276 -8.1214 -8.1214 -8.1135 -8.1135 -8.1085 -8.1085 -7.6881 -7.6881 -7.6763 -7.6763 -7.6523 -7.6523 -7.6489 -7.6489 -7.6434 -7.6434 -7.6394 -7.6394 -3.1006 -3.1006 -3.0998 -3.0998 2.7170 2.7170 2.7297 2.7297 4.9351 4.9351 4.9709 4.9709 5.4257 5.4257 5.4698 5.4698 9.1972 9.1972 9.2516 9.2516 10.0051 10.0051 10.0682 10.0682 k = 0.1242 0.2151 0.3078 ( 12186 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1272 -8.1272 -8.1216 -8.1216 -8.1137 -8.1137 -8.1088 -8.1088 -7.6879 -7.6879 -7.6767 -7.6767 -7.6522 -7.6522 -7.6491 -7.6491 -7.6434 -7.6434 -7.6398 -7.6398 -3.1463 -3.1463 -3.1455 -3.1455 2.8068 2.8068 2.8195 2.8195 4.9741 4.9741 5.0076 5.0076 5.5196 5.5196 5.5599 5.5599 9.1630 9.1630 9.2175 9.2175 9.9734 9.9734 10.0361 10.0361 k = 0.1176 0.2038 0.3078 ( 12182 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1269 -8.1269 -8.1218 -8.1218 -8.1140 -8.1140 -8.1091 -8.1091 -7.6878 -7.6878 -7.6770 -7.6770 -7.6521 -7.6521 -7.6493 -7.6493 -7.6435 -7.6435 -7.6401 -7.6401 -3.1900 -3.1900 -3.1891 -3.1891 2.8904 2.8904 2.9030 2.9030 5.0194 5.0194 5.0512 5.0512 5.6164 5.6164 5.6535 5.6535 9.1273 9.1273 9.1814 9.1814 9.9407 9.9407 10.0027 10.0027 k = 0.1111 0.1925 0.3078 ( 12190 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1265 -8.1265 -8.1220 -8.1220 -8.1142 -8.1142 -8.1094 -8.1094 -7.6876 -7.6876 -7.6774 -7.6774 -7.6520 -7.6520 -7.6495 -7.6495 -7.6434 -7.6434 -7.6405 -7.6405 -3.2314 -3.2314 -3.2306 -3.2306 2.9668 2.9668 2.9793 2.9793 5.0730 5.0730 5.1035 5.1035 5.7146 5.7146 5.7490 5.7490 9.0906 9.0906 9.1440 9.1440 9.9076 9.9076 9.9688 9.9688 k = 0.1046 0.1811 0.3078 ( 12180 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1262 -8.1262 -8.1222 -8.1222 -8.1144 -8.1144 -8.1097 -8.1097 -7.6875 -7.6875 -7.6777 -7.6777 -7.6519 -7.6519 -7.6496 -7.6496 -7.6434 -7.6434 -7.6409 -7.6409 -3.2708 -3.2708 -3.2699 -3.2699 3.0357 3.0357 3.0479 3.0479 5.1362 5.1362 5.1657 5.1657 5.8128 5.8128 5.8451 5.8451 9.0534 9.0534 9.1058 9.1058 9.8747 9.8747 9.9350 9.9350 k = 0.0980 0.1698 0.3078 ( 12192 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1258 -8.1258 -8.1223 -8.1223 -8.1147 -8.1147 -8.1100 -8.1100 -7.6873 -7.6873 -7.6781 -7.6781 -7.6518 -7.6518 -7.6498 -7.6498 -7.6434 -7.6434 -7.6412 -7.6412 -3.3079 -3.3079 -3.3070 -3.3070 3.0967 3.0967 3.1084 3.1084 5.2099 5.2099 5.2384 5.2384 5.9102 5.9102 5.9406 5.9406 9.0156 9.0156 9.0669 9.0669 9.8423 9.8423 9.9016 9.9016 k = 0.0915 0.1585 0.3078 ( 12184 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1255 -8.1255 -8.1225 -8.1225 -8.1149 -8.1149 -8.1104 -8.1104 -7.6872 -7.6872 -7.6785 -7.6785 -7.6517 -7.6517 -7.6500 -7.6500 -7.6434 -7.6434 -7.6415 -7.6415 -3.3427 -3.3427 -3.3419 -3.3419 3.1498 3.1498 3.1610 3.1610 5.2941 5.2941 5.3218 5.3218 6.0061 6.0061 6.0347 6.0347 8.9774 8.9774 9.0271 9.0271 9.8108 9.8108 9.8692 9.8692 k = 0.0850 0.1472 0.3078 ( 12184 PWs) bands (ev): -39.8665 -39.8665 -39.8665 -39.8665 -8.1252 -8.1252 -8.1226 -8.1226 -8.1151 -8.1151 -8.1108 -8.1108 -7.6870 -7.6870 -7.6788 -7.6788 -7.6517 -7.6517 -7.6502 -7.6502 -7.6433 -7.6433 -7.6418 -7.6418 -3.3753 -3.3753 -3.3745 -3.3745 3.1952 3.1952 3.2059 3.2059 5.3885 5.3885 5.4154 5.4154 6.0996 6.0996 6.1266 6.1266 8.9383 8.9383 8.9861 8.9861 9.7806 9.7806 9.8379 9.8379 k = 0.0784 0.1358 0.3078 ( 12194 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1248 -8.1248 -8.1226 -8.1226 -8.1154 -8.1154 -8.1112 -8.1112 -7.6869 -7.6869 -7.6792 -7.6792 -7.6517 -7.6517 -7.6503 -7.6503 -7.6433 -7.6433 -7.6421 -7.6421 -3.4055 -3.4055 -3.4047 -3.4047 3.2336 3.2336 3.2435 3.2435 5.4925 5.4925 5.5186 5.5186 6.1902 6.1902 6.2157 6.2157 8.8978 8.8978 8.9432 8.9432 9.7520 9.7520 9.8081 9.8081 k = 0.0719 0.1245 0.3078 ( 12190 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1245 -8.1245 -8.1227 -8.1227 -8.1156 -8.1156 -8.1116 -8.1116 -7.6867 -7.6867 -7.6796 -7.6796 -7.6517 -7.6517 -7.6505 -7.6505 -7.6433 -7.6433 -7.6423 -7.6423 -3.4334 -3.4334 -3.4327 -3.4327 3.2655 3.2655 3.2746 3.2746 5.6051 5.6051 5.6304 5.6304 6.2772 6.2772 6.3011 6.3011 8.8550 8.8550 8.8975 8.8975 9.7251 9.7251 9.7797 9.7797 k = 0.0654 0.1132 0.3078 ( 12198 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1242 -8.1242 -8.1227 -8.1227 -8.1157 -8.1157 -8.1120 -8.1120 -7.6865 -7.6865 -7.6799 -7.6799 -7.6517 -7.6517 -7.6506 -7.6506 -7.6432 -7.6432 -7.6425 -7.6425 -3.4589 -3.4589 -3.4582 -3.4582 3.2917 3.2917 3.2999 3.2999 5.7250 5.7250 5.7494 5.7494 6.3599 6.3599 6.3823 6.3823 8.8087 8.8087 8.8478 8.8478 9.7001 9.7001 9.7530 9.7530 k = 0.0588 0.1019 0.3078 ( 12192 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1239 -8.1239 -8.1228 -8.1228 -8.1159 -8.1159 -8.1124 -8.1124 -7.6862 -7.6862 -7.6803 -7.6803 -7.6517 -7.6517 -7.6508 -7.6508 -7.6432 -7.6432 -7.6427 -7.6427 -3.4821 -3.4821 -3.4814 -3.4814 3.3129 3.3129 3.3203 3.3203 5.8508 5.8508 5.8744 5.8744 6.4378 6.4378 6.4585 6.4585 8.7574 8.7574 8.7926 8.7926 9.6772 9.6772 9.7279 9.7279 k = 0.0523 0.0906 0.3078 ( 12184 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1236 -8.1236 -8.1228 -8.1228 -8.1161 -8.1161 -8.1128 -8.1128 -7.6860 -7.6860 -7.6807 -7.6807 -7.6517 -7.6517 -7.6509 -7.6509 -7.6432 -7.6432 -7.6428 -7.6428 -3.5028 -3.5028 -3.5022 -3.5022 3.3299 3.3299 3.3364 3.3364 5.9807 5.9807 6.0034 6.0034 6.5103 6.5103 6.5292 6.5292 8.6996 8.6996 8.7305 8.7305 9.6564 9.6564 9.7045 9.7045 k = 0.0458 0.0792 0.3078 ( 12198 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1233 -8.1233 -8.1227 -8.1227 -8.1162 -8.1162 -8.1132 -8.1132 -7.6858 -7.6858 -7.6810 -7.6810 -7.6517 -7.6517 -7.6510 -7.6510 -7.6432 -7.6432 -7.6429 -7.6429 -3.5212 -3.5212 -3.5206 -3.5206 3.3434 3.3434 3.3490 3.3490 6.1126 6.1126 6.1343 6.1343 6.5769 6.5769 6.5939 6.5939 8.6337 8.6337 8.6604 8.6604 9.6380 9.6380 9.6827 9.6827 k = 0.0392 0.0679 0.3078 ( 12198 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1231 -8.1231 -8.1227 -8.1227 -8.1162 -8.1162 -8.1136 -8.1136 -7.6855 -7.6855 -7.6814 -7.6814 -7.6517 -7.6517 -7.6511 -7.6511 -7.6431 -7.6431 -7.6430 -7.6430 -3.5371 -3.5371 -3.5366 -3.5366 3.3539 3.3539 3.3587 3.3587 6.2439 6.2439 6.2645 6.2645 6.6375 6.6375 6.6523 6.6523 8.5594 8.5594 8.5820 8.5820 9.6218 9.6218 9.6622 9.6622 k = 0.0327 0.0566 0.3078 ( 12198 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1229 -8.1229 -8.1227 -8.1227 -8.1163 -8.1163 -8.1140 -8.1140 -7.6852 -7.6852 -7.6818 -7.6818 -7.6517 -7.6517 -7.6512 -7.6512 -7.6431 -7.6431 -7.6430 -7.6430 -3.5505 -3.5505 -3.5502 -3.5502 3.3621 3.3621 3.3661 3.3661 6.3709 6.3709 6.3901 6.3901 6.6920 6.6920 6.7043 6.7043 8.4778 8.4778 8.4967 8.4967 9.6077 9.6077 9.6425 9.6425 k = 0.0261 0.0453 0.3078 ( 12182 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1228 -8.1228 -8.1226 -8.1226 -8.1162 -8.1162 -8.1144 -8.1144 -7.6849 -7.6849 -7.6822 -7.6822 -7.6517 -7.6517 -7.6513 -7.6513 -7.6431 -7.6431 -7.6431 -7.6431 -3.5616 -3.5616 -3.5613 -3.5613 3.3683 3.3683 3.3714 3.3714 6.4884 6.4884 6.5055 6.5055 6.7413 6.7413 6.7509 6.7509 8.3924 8.3924 8.4081 8.4081 9.5954 9.5954 9.6222 9.6222 k = 0.0196 0.0340 0.3078 ( 12186 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1226 -8.1226 -8.1226 -8.1226 -8.1162 -8.1162 -8.1147 -8.1147 -7.6846 -7.6846 -7.6825 -7.6825 -7.6517 -7.6517 -7.6514 -7.6514 -7.6431 -7.6431 -7.6431 -7.6431 -3.5701 -3.5701 -3.5699 -3.5699 3.3728 3.3728 3.3752 3.3752 6.5887 6.5887 6.6027 6.6027 6.7872 6.7872 6.7934 6.7934 8.3097 8.3097 8.3223 8.3223 9.5839 9.5839 9.5998 9.5998 k = 0.0131 0.0226 0.3078 ( 12174 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1226 -8.1226 -8.1225 -8.1225 -8.1160 -8.1160 -8.1151 -8.1151 -7.6843 -7.6843 -7.6829 -7.6829 -7.6517 -7.6517 -7.6515 -7.6515 -7.6431 -7.6431 -7.6431 -7.6431 -3.5763 -3.5763 -3.5761 -3.5761 3.3760 3.3760 3.3776 3.3776 6.6628 6.6628 6.6723 6.6723 6.8307 6.8307 6.8333 6.8333 8.2388 8.2388 8.2479 8.2479 9.5727 9.5727 9.5785 9.5785 k = 0.0065 0.0113 0.3078 ( 12182 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1225 -8.1225 -8.1225 -8.1225 -8.1159 -8.1159 -8.1154 -8.1154 -7.6840 -7.6840 -7.6833 -7.6833 -7.6517 -7.6517 -7.6516 -7.6516 -7.6431 -7.6431 -7.6431 -7.6431 -3.5799 -3.5799 -3.5798 -3.5798 3.3780 3.3780 3.3788 3.3788 6.7059 6.7059 6.7104 6.7104 6.8655 6.8655 6.8659 6.8659 8.1907 8.1907 8.1955 8.1955 9.5632 9.5632 9.5642 9.5642 k = 0.0000 0.0000 0.3078 ( 12186 PWs) bands (ev): -39.8666 -39.8666 -39.8666 -39.8666 -8.1225 -8.1225 -8.1225 -8.1225 -8.1156 -8.1156 -8.1156 -8.1156 -7.6836 -7.6836 -7.6836 -7.6836 -7.6516 -7.6516 -7.6516 -7.6516 -7.6431 -7.6431 -7.6431 -7.6431 -3.5811 -3.5811 -3.5811 -3.5811 3.3789 3.3789 3.3789 3.3789 6.7207 6.7207 6.7207 6.7207 6.8792 6.8792 6.8792 6.8792 8.1750 8.1750 8.1750 8.1750 9.5593 9.5593 9.5593 9.5593 k = 0.5000 0.2887 0.3078 ( 12228 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1255 -8.1255 -8.1255 -8.1255 -8.1076 -8.1076 -8.1076 -8.1076 -7.6814 -7.6814 -7.6814 -7.6814 -7.6516 -7.6516 -7.6516 -7.6516 -7.6347 -7.6347 -7.6347 -7.6347 -1.9566 -1.9566 -1.9566 -1.9566 0.4909 0.4909 0.4909 0.4909 4.9955 4.9955 4.9955 4.9955 5.1871 5.1871 5.1871 5.1871 8.0066 8.0066 8.0066 8.0066 8.5710 8.5710 8.5710 8.5710 k = 0.5000 0.2887 0.2949 ( 12226 PWs) bands (ev): -39.8664 -39.8664 -39.8662 -39.8662 -8.1258 -8.1258 -8.1253 -8.1253 -8.1080 -8.1080 -8.1072 -8.1072 -7.6821 -7.6821 -7.6808 -7.6808 -7.6518 -7.6518 -7.6513 -7.6513 -7.6350 -7.6350 -7.6344 -7.6344 -1.9974 -1.9974 -1.9152 -1.9152 0.4536 0.4536 0.5307 0.5307 4.9381 4.9381 5.0497 5.0497 5.0786 5.0786 5.2935 5.2935 7.9614 7.9614 8.0251 8.0251 8.5533 8.5533 8.6296 8.6296 k = 0.5000 0.2887 0.2821 ( 12200 PWs) bands (ev): -39.8664 -39.8664 -39.8662 -39.8662 -8.1261 -8.1261 -8.1250 -8.1250 -8.1084 -8.1084 -8.1068 -8.1068 -7.6827 -7.6827 -7.6802 -7.6802 -7.6521 -7.6521 -7.6511 -7.6511 -7.6353 -7.6353 -7.6341 -7.6341 -2.0374 -2.0374 -1.8735 -1.8735 0.4188 0.4188 0.5726 0.5726 4.8795 4.8795 4.9582 4.9582 5.1150 5.1150 5.3916 5.3916 7.8978 7.8978 8.0195 8.0195 8.5701 8.5701 8.7247 8.7247 k = 0.5000 0.2887 0.2693 ( 12202 PWs) bands (ev): -39.8665 -39.8665 -39.8661 -39.8661 -8.1263 -8.1263 -8.1247 -8.1247 -8.1088 -8.1088 -8.1064 -8.1064 -7.6834 -7.6834 -7.6795 -7.6795 -7.6523 -7.6523 -7.6508 -7.6508 -7.6356 -7.6356 -7.6339 -7.6339 -2.0764 -2.0764 -1.8316 -1.8316 0.3867 0.3867 0.6165 0.6165 4.8052 4.8052 4.8578 4.8578 5.1754 5.1754 5.4786 5.4786 7.8281 7.8281 7.9984 7.9984 8.6112 8.6112 8.8465 8.8465 k = 0.5000 0.2887 0.2565 ( 12214 PWs) bands (ev): -39.8666 -39.8666 -39.8661 -39.8661 -8.1266 -8.1266 -8.1245 -8.1245 -8.1092 -8.1092 -8.1060 -8.1060 -7.6840 -7.6840 -7.6789 -7.6789 -7.6525 -7.6525 -7.6505 -7.6505 -7.6359 -7.6359 -7.6336 -7.6336 -2.1144 -2.1144 -1.7897 -1.7897 0.3576 0.3576 0.6621 0.6621 4.6942 4.6942 4.7936 4.7936 5.2372 5.2372 5.5521 5.5521 7.7626 7.7626 7.9689 7.9689 8.6689 8.6689 8.9864 8.9864 k = 0.5000 0.2887 0.2436 ( 12210 PWs) bands (ev): -39.8666 -39.8666 -39.8660 -39.8660 -8.1268 -8.1268 -8.1242 -8.1242 -8.1096 -8.1096 -8.1056 -8.1056 -7.6846 -7.6846 -7.6783 -7.6783 -7.6527 -7.6527 -7.6502 -7.6502 -7.6362 -7.6362 -7.6334 -7.6334 -2.1512 -2.1512 -1.7481 -1.7481 0.3316 0.3316 0.7092 0.7092 4.5715 4.5715 4.7421 4.7421 5.2999 5.2999 5.6095 5.6095 7.7078 7.7078 7.9357 7.9357 8.7387 8.7387 9.1389 9.1389 k = 0.5000 0.2887 0.2308 ( 12212 PWs) bands (ev): -39.8667 -39.8667 -39.8659 -39.8659 -8.1271 -8.1271 -8.1239 -8.1239 -8.1100 -8.1100 -8.1052 -8.1052 -7.6852 -7.6852 -7.6777 -7.6777 -7.6529 -7.6529 -7.6499 -7.6499 -7.6365 -7.6365 -7.6332 -7.6332 -2.1867 -2.1867 -1.7071 -1.7071 0.3088 0.3088 0.7575 0.7575 4.4466 4.4466 4.6946 4.6946 5.3631 5.3631 5.6492 5.6492 7.6680 7.6680 7.9011 7.9011 8.8182 8.8182 9.3008 9.3008 k = 0.5000 0.2887 0.2180 ( 12212 PWs) bands (ev): -39.8667 -39.8667 -39.8659 -39.8659 -8.1273 -8.1273 -8.1237 -8.1237 -8.1104 -8.1104 -8.1049 -8.1049 -7.6858 -7.6858 -7.6771 -7.6771 -7.6531 -7.6531 -7.6496 -7.6496 -7.6369 -7.6369 -7.6330 -7.6330 -2.2207 -2.2207 -1.6670 -1.6670 0.2894 0.2894 0.8069 0.8069 4.3220 4.3220 4.6500 4.6500 5.4261 5.4261 5.6704 5.6704 7.6453 7.6453 7.8667 7.8667 8.9061 8.9061 9.4698 9.4698 k = 0.5000 0.2887 0.2052 ( 12202 PWs) bands (ev): -39.8668 -39.8668 -39.8658 -39.8658 -8.1276 -8.1276 -8.1234 -8.1234 -8.1108 -8.1108 -8.1045 -8.1045 -7.6863 -7.6863 -7.6765 -7.6765 -7.6533 -7.6533 -7.6493 -7.6493 -7.6372 -7.6372 -7.6328 -7.6328 -2.2532 -2.2532 -1.6279 -1.6279 0.2734 0.2734 0.8569 0.8569 4.1985 4.1985 4.6078 4.6078 5.4876 5.4876 5.6745 5.6745 7.6399 7.6399 7.8333 7.8333 9.0019 9.0019 9.6445 9.6445 k = 0.5000 0.2887 0.1923 ( 12192 PWs) bands (ev): -39.8668 -39.8668 -39.8658 -39.8658 -8.1278 -8.1278 -8.1232 -8.1232 -8.1112 -8.1112 -8.1042 -8.1042 -7.6869 -7.6869 -7.6760 -7.6760 -7.6534 -7.6534 -7.6490 -7.6490 -7.6375 -7.6375 -7.6327 -7.6327 -2.2841 -2.2841 -1.5902 -1.5902 0.2610 0.2610 0.9073 0.9073 4.0772 4.0772 4.5681 4.5681 5.5429 5.5429 5.6675 5.6675 7.6503 7.6503 7.8013 7.8013 9.1048 9.1048 9.8237 9.8237 k = 0.5000 0.2887 0.1795 ( 12206 PWs) bands (ev): -39.8669 -39.8669 -39.8657 -39.8657 -8.1280 -8.1280 -8.1229 -8.1229 -8.1116 -8.1116 -8.1039 -8.1039 -7.6874 -7.6874 -7.6755 -7.6755 -7.6536 -7.6536 -7.6487 -7.6487 -7.6378 -7.6378 -7.6325 -7.6325 -2.3133 -2.3133 -1.5542 -1.5542 0.2521 0.2521 0.9578 0.9578 3.9588 3.9588 4.5309 4.5309 5.5713 5.5713 5.6721 5.6721 7.6738 7.6738 7.7713 7.7713 9.2147 9.2147 10.0066 10.0066 k = 0.5000 0.2887 0.1667 ( 12206 PWs) bands (ev): -39.8669 -39.8669 -39.8657 -39.8657 -8.1282 -8.1282 -8.1226 -8.1226 -8.1119 -8.1119 -8.1036 -8.1036 -7.6879 -7.6879 -7.6750 -7.6750 -7.6537 -7.6537 -7.6484 -7.6484 -7.6381 -7.6381 -7.6324 -7.6324 -2.3407 -2.3407 -1.5200 -1.5200 0.2466 0.2466 1.0079 1.0079 3.8438 3.8438 4.4961 4.4961 5.5506 5.5506 5.7136 5.7136 7.7059 7.7059 7.7449 7.7449 9.3309 9.3309 10.1923 10.1923 k = 0.5000 0.2887 0.1539 ( 12212 PWs) bands (ev): -39.8670 -39.8670 -39.8656 -39.8656 -8.1284 -8.1284 -8.1224 -8.1224 -8.1123 -8.1123 -8.1033 -8.1033 -7.6883 -7.6883 -7.6746 -7.6746 -7.6538 -7.6538 -7.6481 -7.6481 -7.6383 -7.6383 -7.6323 -7.6323 -2.3663 -2.3663 -1.4880 -1.4880 0.2446 0.2446 1.0573 1.0573 3.7331 3.7331 4.4637 4.4637 5.5051 5.5051 5.7702 5.7702 7.7113 7.7113 7.7543 7.7543 9.4530 9.4530 10.3796 10.3796 k = 0.5000 0.2887 0.1411 ( 12208 PWs) bands (ev): -39.8670 -39.8670 -39.8656 -39.8656 -8.1286 -8.1286 -8.1222 -8.1222 -8.1126 -8.1126 -8.1030 -8.1030 -7.6888 -7.6888 -7.6741 -7.6741 -7.6539 -7.6539 -7.6479 -7.6479 -7.6386 -7.6386 -7.6323 -7.6323 -2.3900 -2.3900 -1.4583 -1.4583 0.2456 0.2456 1.1056 1.1056 3.6272 3.6272 4.4339 4.4339 5.4500 5.4500 5.8295 5.8295 7.6887 7.6887 7.7980 7.7980 9.5800 9.5800 10.4036 10.4036 k = 0.5000 0.2887 0.1282 ( 12208 PWs) bands (ev): -39.8671 -39.8671 -39.8656 -39.8656 -8.1287 -8.1287 -8.1219 -8.1219 -8.1129 -8.1129 -8.1028 -8.1028 -7.6892 -7.6892 -7.6737 -7.6737 -7.6540 -7.6540 -7.6476 -7.6476 -7.6388 -7.6388 -7.6322 -7.6322 -2.4118 -2.4118 -1.4311 -1.4311 0.2495 0.2495 1.1522 1.1522 3.5269 3.5269 4.4065 4.4065 5.3908 5.3908 5.8883 5.8883 7.6666 7.6666 7.8451 7.8451 9.7110 9.7110 10.2922 10.2922 k = 0.5000 0.2887 0.1154 ( 12200 PWs) bands (ev): -39.8671 -39.8671 -39.8655 -39.8655 -8.1289 -8.1289 -8.1217 -8.1217 -8.1132 -8.1132 -8.1026 -8.1026 -7.6895 -7.6895 -7.6734 -7.6734 -7.6541 -7.6541 -7.6474 -7.6474 -7.6390 -7.6390 -7.6321 -7.6321 -2.4317 -2.4317 -1.4065 -1.4065 0.2559 0.2559 1.1967 1.1967 3.4329 3.4329 4.3817 4.3817 5.3305 5.3305 5.9451 5.9451 7.6463 7.6463 7.8923 7.8923 9.8442 9.8442 10.1885 10.1885 k = 0.5000 0.2887 0.1026 ( 12208 PWs) bands (ev): -39.8671 -39.8671 -39.8655 -39.8655 -8.1290 -8.1290 -8.1215 -8.1215 -8.1135 -8.1135 -8.1024 -8.1024 -7.6899 -7.6899 -7.6731 -7.6731 -7.6542 -7.6542 -7.6471 -7.6471 -7.6392 -7.6392 -7.6321 -7.6321 -2.4495 -2.4495 -1.3846 -1.3846 0.2642 0.2642 1.2386 1.2386 3.3458 3.3458 4.3595 4.3595 5.2715 5.2715 5.9991 5.9991 7.6280 7.6280 7.9377 7.9377 9.9744 9.9744 10.0973 10.0973 k = 0.5000 0.2887 0.0898 ( 12210 PWs) bands (ev): -39.8672 -39.8672 -39.8655 -39.8655 -8.1292 -8.1292 -8.1213 -8.1213 -8.1138 -8.1138 -8.1022 -8.1022 -7.6902 -7.6902 -7.6728 -7.6728 -7.6543 -7.6543 -7.6469 -7.6469 -7.6394 -7.6394 -7.6321 -7.6321 -2.4653 -2.4653 -1.3654 -1.3654 0.2739 0.2739 1.2773 1.2773 3.2665 3.2665 4.3398 4.3398 5.2155 5.2155 6.0493 6.0493 7.6118 7.6118 7.9802 7.9802 9.9934 9.9934 10.1257 10.1257 k = 0.5000 0.2887 0.0769 ( 12198 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1293 -8.1293 -8.1211 -8.1211 -8.1140 -8.1140 -8.1021 -8.1021 -7.6904 -7.6904 -7.6725 -7.6725 -7.6543 -7.6543 -7.6468 -7.6468 -7.6395 -7.6395 -7.6321 -7.6321 -2.4791 -2.4791 -1.3489 -1.3489 0.2843 0.2843 1.3123 1.3123 3.1956 3.1956 4.3227 4.3227 5.1640 5.1640 6.0950 6.0950 7.5978 7.5978 8.0186 8.0186 9.9198 9.9198 10.2535 10.2535 k = 0.5000 0.2887 0.0641 ( 12196 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1294 -8.1294 -8.1210 -8.1210 -8.1142 -8.1142 -8.1019 -8.1019 -7.6906 -7.6906 -7.6723 -7.6723 -7.6544 -7.6544 -7.6466 -7.6466 -7.6397 -7.6397 -7.6321 -7.6321 -2.4907 -2.4907 -1.3350 -1.3350 0.2948 0.2948 1.3430 1.3430 3.1340 3.1340 4.3082 4.3082 5.1184 5.1184 6.1354 6.1354 7.5859 7.5859 8.0523 8.0523 9.8529 9.8529 10.3794 10.3794 k = 0.5000 0.2887 0.0513 ( 12190 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1294 -8.1294 -8.1209 -8.1209 -8.1144 -8.1144 -8.1018 -8.1018 -7.6908 -7.6908 -7.6722 -7.6722 -7.6544 -7.6544 -7.6465 -7.6465 -7.6398 -7.6398 -7.6321 -7.6321 -2.5003 -2.5003 -1.3238 -1.3238 0.3046 0.3046 1.3690 1.3690 3.0824 3.0824 4.2963 4.2963 5.0796 5.0796 6.1697 6.1697 7.5762 7.5762 8.0806 8.0806 9.7964 9.7964 10.4964 10.4964 k = 0.5000 0.2887 0.0385 ( 12190 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1295 -8.1295 -8.1207 -8.1207 -8.1145 -8.1145 -8.1017 -8.1017 -7.6910 -7.6910 -7.6720 -7.6720 -7.6544 -7.6544 -7.6464 -7.6464 -7.6398 -7.6398 -7.6321 -7.6321 -2.5078 -2.5078 -1.3152 -1.3152 0.3130 0.3130 1.3898 1.3898 3.0415 3.0415 4.2870 4.2870 5.0485 5.0485 6.1972 6.1972 7.5686 7.5686 8.1031 8.1031 9.7516 9.7516 10.5992 10.5992 k = 0.5000 0.2887 0.0256 ( 12186 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1295 -8.1295 -8.1207 -8.1207 -8.1146 -8.1146 -8.1017 -8.1017 -7.6911 -7.6911 -7.6719 -7.6719 -7.6544 -7.6544 -7.6463 -7.6463 -7.6399 -7.6399 -7.6321 -7.6321 -2.5131 -2.5131 -1.3091 -1.3091 0.3195 0.3195 1.4049 1.4049 3.0118 3.0118 4.2804 4.2804 5.0259 5.0259 6.2173 6.2173 7.5632 7.5632 8.1194 8.1194 9.7190 9.7190 10.6815 10.6815 k = 0.5000 0.2887 0.0128 ( 12198 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1296 -8.1296 -8.1206 -8.1206 -8.1147 -8.1147 -8.1016 -8.1016 -7.6911 -7.6911 -7.6719 -7.6719 -7.6545 -7.6545 -7.6463 -7.6463 -7.6399 -7.6399 -7.6321 -7.6321 -2.5163 -2.5163 -1.3054 -1.3054 0.3236 0.3236 1.4141 1.4141 2.9937 2.9937 4.2765 4.2765 5.0120 5.0120 6.2296 6.2296 7.5600 7.5600 8.1293 8.1293 9.6993 9.6993 10.7356 10.7356 k = 0.5000 0.2887-0.0000 ( 12206 PWs) bands (ev): -39.8673 -39.8673 -39.8654 -39.8654 -8.1296 -8.1296 -8.1206 -8.1206 -8.1147 -8.1147 -8.1016 -8.1016 -7.6911 -7.6911 -7.6719 -7.6719 -7.6545 -7.6545 -7.6463 -7.6463 -7.6399 -7.6399 -7.6321 -7.6321 -2.5174 -2.5174 -1.3042 -1.3042 0.3250 0.3250 1.4172 1.4172 2.9877 2.9877 4.2751 4.2751 5.0074 5.0074 6.2338 6.2338 7.5589 7.5589 8.1326 8.1326 9.6926 9.6926 10.7546 10.7546 k = 0.3333 0.5774-0.0000 ( 12171 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1335 -8.1335 -8.1263 -8.1105 -8.1105 -8.1050 -8.1050 -8.1025 -7.7088 -7.6779 -7.6644 -7.6644 -7.6560 -7.6560 -7.6468 -7.6468 -7.6415 -7.6380 -7.6349 -7.6349 -1.7495 -1.7468 -1.7396 -1.7396 1.0158 1.0376 1.0547 1.0547 2.5747 2.5747 3.8473 3.8473 4.0511 4.0713 4.0930 4.0930 8.7034 8.7034 11.3636 11.4862 11.4862 11.4876 12.0095 12.0839 k = 0.3333 0.5774 0.0128 ( 12174 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1335 -8.1335 -8.1263 -8.1105 -8.1105 -8.1050 -8.1050 -8.1025 -7.7088 -7.6779 -7.6644 -7.6644 -7.6560 -7.6560 -7.6468 -7.6468 -7.6415 -7.6380 -7.6349 -7.6349 -1.7489 -1.7462 -1.7390 -1.7390 1.0124 1.0341 1.0513 1.0513 2.5757 2.5757 3.8455 3.8455 4.0575 4.0776 4.0990 4.0990 8.7076 8.7076 11.3442 11.4635 11.4635 11.4645 12.0022 12.0747 k = 0.3333 0.5774 0.0256 ( 12186 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1335 -8.1335 -8.1262 -8.1105 -8.1105 -8.1050 -8.1050 -8.1026 -7.7086 -7.6780 -7.6646 -7.6646 -7.6559 -7.6559 -7.6468 -7.6468 -7.6415 -7.6381 -7.6349 -7.6349 -1.7471 -1.7444 -1.7372 -1.7372 1.0024 1.0238 1.0411 1.0411 2.5787 2.5787 3.8402 3.8402 4.0765 4.0965 4.1173 4.1173 8.7204 8.7204 11.2864 11.3962 11.3965 11.3965 11.9863 12.0526 k = 0.3333 0.5774 0.0385 ( 12204 PWs) bands (ev): -39.8672 -39.8672 -39.8653 -39.8653 -8.1335 -8.1335 -8.1261 -8.1105 -8.1105 -8.1049 -8.1049 -8.1027 -7.7084 -7.6781 -7.6647 -7.6647 -7.6558 -7.6558 -7.6469 -7.6469 -7.6415 -7.6381 -7.6348 -7.6348 -1.7442 -1.7414 -1.7343 -1.7343 0.9860 1.0070 1.0245 1.0245 2.5837 2.5837 3.8311 3.8311 4.1079 4.1275 4.1476 4.1476 8.7416 8.7416 11.1924 11.2872 11.2901 11.2901 11.9719 12.0286 k = 0.3333 0.5774 0.0513 ( 12207 PWs) bands (ev): -39.8672 -39.8672 -39.8654 -39.8654 -8.1336 -8.1336 -8.1259 -8.1105 -8.1105 -8.1049 -8.1049 -8.1029 -7.7082 -7.6783 -7.6650 -7.6650 -7.6556 -7.6556 -7.6469 -7.6469 -7.6415 -7.6381 -7.6348 -7.6348 -1.7401 -1.7374 -1.7302 -1.7302 0.9637 0.9842 1.0020 1.0020 2.5907 2.5907 3.8182 3.8182 4.1512 4.1703 4.1897 4.1897 8.7712 8.7712 11.0674 11.1466 11.1523 11.1523 11.9642 12.0102 k = 0.3333 0.5774 0.0641 ( 12204 PWs) bands (ev): -39.8671 -39.8671 -39.8654 -39.8654 -8.1336 -8.1336 -8.1257 -8.1105 -8.1105 -8.1048 -8.1048 -8.1032 -7.7078 -7.6785 -7.6653 -7.6653 -7.6553 -7.6553 -7.6469 -7.6469 -7.6415 -7.6382 -7.6347 -7.6347 -1.7349 -1.7322 -1.7251 -1.7251 0.9363 0.9561 0.9742 0.9742 2.5997 2.5997 3.8015 3.8015 4.2055 4.2240 4.2429 4.2429 8.8089 8.8089 10.9186 10.9839 10.9924 10.9924 11.9635 12.0001 k = 0.3333 0.5774 0.0769 ( 12216 PWs) bands (ev): -39.8671 -39.8671 -39.8654 -39.8654 -8.1336 -8.1336 -8.1255 -8.1105 -8.1105 -8.1047 -8.1047 -8.1035 -7.7074 -7.6787 -7.6656 -7.6656 -7.6551 -7.6551 -7.6469 -7.6469 -7.6416 -7.6383 -7.6347 -7.6347 -1.7286 -1.7260 -1.7189 -1.7189 0.9044 0.9234 0.9419 0.9419 2.6107 2.6107 3.7812 3.7812 4.2701 4.2880 4.3066 4.3066 8.8545 8.8545 10.7531 10.8071 10.8178 10.8178 11.9688 11.9978 k = 0.3333 0.5774 0.0898 ( 12210 PWs) bands (ev): -39.8671 -39.8671 -39.8654 -39.8654 -8.1336 -8.1336 -8.1252 -8.1106 -8.1106 -8.1046 -8.1046 -8.1038 -7.7068 -7.6790 -7.6660 -7.6660 -7.6548 -7.6548 -7.6469 -7.6469 -7.6416 -7.6384 -7.6346 -7.6346 -1.7214 -1.7188 -1.7118 -1.7118 0.8689 0.8870 0.9059 0.9059 2.6236 2.6236 3.7575 3.7575 4.3442 4.3614 4.3799 4.3799 8.9078 8.9078 10.5764 10.6215 10.6339 10.6339 11.9788 12.0020 k = 0.3333 0.5774 0.1026 ( 12210 PWs) bands (ev): -39.8671 -39.8671 -39.8655 -39.8655 -8.1337 -8.1337 -8.1248 -8.1106 -8.1106 -8.1045 -8.1045 -8.1042 -7.7063 -7.6794 -7.6663 -7.6663 -7.6545 -7.6545 -7.6469 -7.6469 -7.6416 -7.6385 -7.6345 -7.6345 -1.7134 -1.7107 -1.7039 -1.7039 0.8305 0.8476 0.8671 0.8671 2.6384 2.6384 3.7306 3.7306 4.4267 4.4432 4.4619 4.4619 8.9685 8.9685 10.3927 10.4309 10.4446 10.4446 11.9928 12.0115 k = 0.3333 0.5774 0.1154 ( 12189 PWs) bands (ev): -39.8670 -39.8670 -39.8655 -39.8655 -8.1337 -8.1337 -8.1244 -8.1106 -8.1106 -8.1047 -8.1044 -8.1044 -7.7056 -7.6798 -7.6667 -7.6667 -7.6543 -7.6543 -7.6469 -7.6469 -7.6417 -7.6386 -7.6345 -7.6345 -1.7045 -1.7019 -1.6951 -1.6951 0.7900 0.8062 0.8262 0.8262 2.6551 2.6551 3.7009 3.7009 4.5169 4.5327 4.5515 4.5515 9.0364 9.0364 10.2051 10.2378 10.2524 10.2524 12.0101 12.0254 k = 0.3333 0.5774 0.1282 ( 12186 PWs) bands (ev): -39.8670 -39.8670 -39.8655 -39.8655 -8.1337 -8.1337 -8.1240 -8.1106 -8.1106 -8.1051 -8.1043 -8.1043 -7.7049 -7.6802 -7.6671 -7.6671 -7.6540 -7.6540 -7.6470 -7.6470 -7.6417 -7.6387 -7.6344 -7.6344 -1.6950 -1.6925 -1.6857 -1.6857 0.7483 0.7635 0.7840 0.7840 2.6738 2.6738 3.6687 3.6687 4.6138 4.6288 4.6480 4.6480 9.1111 9.1111 10.0158 10.0441 10.0594 10.0594 12.0303 12.0430 k = 0.3333 0.5774 0.1411 ( 12198 PWs) bands (ev): -39.8670 -39.8670 -39.8655 -39.8655 -8.1338 -8.1338 -8.1236 -8.1106 -8.1106 -8.1057 -8.1042 -8.1042 -7.7041 -7.6807 -7.6675 -7.6675 -7.6537 -7.6537 -7.6470 -7.6470 -7.6417 -7.6388 -7.6343 -7.6343 -1.6849 -1.6825 -1.6758 -1.6758 0.7061 0.7203 0.7414 0.7414 2.6942 2.6942 3.6343 3.6343 4.7163 4.7306 4.7502 4.7502 9.1922 9.1922 9.8264 9.8512 9.8671 9.8671 12.0531 12.0638 k = 0.3333 0.5774 0.1539 ( 12189 PWs) bands (ev): -39.8669 -39.8669 -39.8656 -39.8656 -8.1338 -8.1338 -8.1231 -8.1106 -8.1106 -8.1063 -8.1041 -8.1041 -7.7033 -7.6812 -7.6679 -7.6679 -7.6535 -7.6535 -7.6470 -7.6470 -7.6417 -7.6390 -7.6342 -7.6342 -1.6745 -1.6721 -1.6656 -1.6656 0.6641 0.6772 0.6989 0.6989 2.7165 2.7165 3.5980 3.5980 4.8236 4.8372 4.8573 4.8573 9.2794 9.2794 9.6385 9.6604 9.6769 9.6769 12.0783 12.0874 k = 0.3333 0.5774 0.1667 ( 12186 PWs) bands (ev): -39.8669 -39.8669 -39.8656 -39.8656 -8.1339 -8.1339 -8.1225 -8.1107 -8.1107 -8.1069 -8.1040 -8.1040 -7.7025 -7.6818 -7.6682 -7.6682 -7.6532 -7.6532 -7.6470 -7.6470 -7.6417 -7.6391 -7.6341 -7.6341 -1.6639 -1.6616 -1.6551 -1.6551 0.6229 0.6350 0.6572 0.6572 2.7406 2.7406 3.5600 3.5600 4.9347 4.9475 4.9683 4.9683 9.3703 9.3703 9.4532 9.4727 9.4919 9.4919 12.1056 12.1134 k = 0.3333 0.5774 0.1795 ( 12165 PWs) bands (ev): -39.8668 -39.8668 -39.8657 -39.8657 -8.1339 -8.1339 -8.1220 -8.1107 -8.1107 -8.1075 -8.1039 -8.1039 -7.7015 -7.6825 -7.6685 -7.6685 -7.6530 -7.6530 -7.6471 -7.6471 -7.6417 -7.6393 -7.6340 -7.6340 -1.6532 -1.6510 -1.6446 -1.6446 0.5831 0.5942 0.6170 0.6170 2.7663 2.7663 3.5208 3.5208 5.0484 5.0606 5.0819 5.0819 9.2718 9.2892 9.3021 9.3021 9.4758 9.4758 12.1348 12.1415 k = 0.3333 0.5774 0.1923 ( 12183 PWs) bands (ev): -39.8668 -39.8668 -39.8657 -39.8657 -8.1339 -8.1339 -8.1214 -8.1107 -8.1107 -8.1082 -8.1038 -8.1038 -7.7006 -7.6832 -7.6689 -7.6689 -7.6528 -7.6528 -7.6471 -7.6471 -7.6417 -7.6395 -7.6339 -7.6339 -1.6426 -1.6406 -1.6342 -1.6342 0.5453 0.5553 0.5788 0.5788 2.7938 2.7938 3.4804 3.4804 5.1636 5.1750 5.1971 5.1971 9.0956 9.1112 9.1256 9.1256 9.5787 9.5787 12.0833 12.0833 k = 0.3333 0.5774 0.2052 ( 12171 PWs) bands (ev): -39.8667 -39.8667 -39.8658 -39.8658 -8.1340 -8.1340 -8.1207 -8.1107 -8.1107 -8.1089 -8.1037 -8.1037 -7.6996 -7.6839 -7.6691 -7.6691 -7.6526 -7.6526 -7.6471 -7.6471 -7.6416 -7.6396 -7.6338 -7.6338 -1.6324 -1.6305 -1.6242 -1.6242 0.5101 0.5190 0.5431 0.5431 2.8229 2.8229 3.4393 3.4393 5.2788 5.2894 5.3123 5.3123 8.9261 8.9400 8.9547 8.9547 9.6880 9.6880 11.9276 11.9276 k = 0.3333 0.5774 0.2180 ( 12165 PWs) bands (ev): -39.8667 -39.8667 -39.8658 -39.8658 -8.1340 -8.1340 -8.1201 -8.1107 -8.1107 -8.1096 -8.1036 -8.1036 -7.6986 -7.6847 -7.6694 -7.6694 -7.6524 -7.6524 -7.6471 -7.6471 -7.6416 -7.6398 -7.6337 -7.6337 -1.6227 -1.6210 -1.6148 -1.6148 0.4778 0.4857 0.5104 0.5104 2.8535 2.8535 3.3975 3.3975 5.3922 5.4021 5.4258 5.4258 8.7649 8.7773 8.7920 8.7920 9.8024 9.8024 11.7718 11.7718 k = 0.3333 0.5774 0.2308 ( 12180 PWs) bands (ev): -39.8666 -39.8666 -39.8659 -39.8659 -8.1340 -8.1340 -8.1194 -8.1107 -8.1107 -8.1103 -8.1036 -8.1036 -7.6976 -7.6855 -7.6696 -7.6696 -7.6523 -7.6523 -7.6472 -7.6472 -7.6415 -7.6400 -7.6337 -7.6337 -1.6138 -1.6122 -1.6060 -1.6060 0.4490 0.4558 0.4812 0.4812 2.8856 2.8856 3.3555 3.3555 5.5019 5.5108 5.5356 5.5356 8.6142 8.6252 8.6397 8.6397 9.9213 9.9213 11.6164 11.6164 k = 0.3333 0.5774 0.2436 ( 12180 PWs) bands (ev): -39.8666 -39.8666 -39.8660 -39.8660 -8.1340 -8.1340 -8.1187 -8.1111 -8.1107 -8.1107 -8.1035 -8.1035 -7.6965 -7.6864 -7.6698 -7.6698 -7.6522 -7.6522 -7.6472 -7.6472 -7.6415 -7.6401 -7.6336 -7.6336 -1.6058 -1.6045 -1.5983 -1.5983 0.4240 0.4296 0.4557 0.4557 2.9191 2.9191 3.3133 3.3133 5.6051 5.6130 5.6388 5.6388 8.4766 8.4861 8.5005 8.5005 10.0446 10.0446 11.4620 11.4620 k = 0.3333 0.5774 0.2565 ( 12183 PWs) bands (ev): -39.8665 -39.8665 -39.8660 -39.8660 -8.1341 -8.1341 -8.1180 -8.1118 -8.1107 -8.1107 -8.1034 -8.1034 -7.6955 -7.6873 -7.6700 -7.6700 -7.6521 -7.6521 -7.6472 -7.6472 -7.6414 -7.6403 -7.6336 -7.6336 -1.5989 -1.5978 -1.5916 -1.5916 0.4031 0.4077 0.4343 0.4343 2.9540 2.9540 3.2712 3.2712 5.6985 5.7053 5.7323 5.7323 8.3554 8.3633 8.3777 8.3777 10.1719 10.1719 11.3090 11.3090 k = 0.3333 0.5774 0.2693 ( 12177 PWs) bands (ev): -39.8664 -39.8664 -39.8661 -39.8661 -8.1341 -8.1341 -8.1172 -8.1126 -8.1108 -8.1108 -8.1034 -8.1034 -7.6944 -7.6882 -7.6701 -7.6701 -7.6520 -7.6520 -7.6472 -7.6472 -7.6413 -7.6405 -7.6335 -7.6335 -1.5934 -1.5925 -1.5863 -1.5863 0.3867 0.3901 0.4174 0.4174 2.9900 2.9900 3.2295 3.2295 5.7784 5.7837 5.8121 5.8121 8.2545 8.2607 8.2751 8.2751 10.3031 10.3031 11.1577 11.1577 k = 0.3333 0.5774 0.2821 ( 12177 PWs) bands (ev): -39.8664 -39.8664 -39.8661 -39.8661 -8.1341 -8.1341 -8.1165 -8.1134 -8.1108 -8.1108 -8.1034 -8.1034 -7.6933 -7.6892 -7.6702 -7.6702 -7.6520 -7.6520 -7.6472 -7.6472 -7.6412 -7.6406 -7.6335 -7.6335 -1.5892 -1.5887 -1.5824 -1.5824 0.3750 0.3773 0.4052 0.4052 3.0271 3.0271 3.1883 3.1883 5.8403 5.8440 5.8737 5.8737 8.1782 8.1825 8.1973 8.1973 10.4379 10.4379 11.0086 11.0086 k = 0.3333 0.5774 0.2949 ( 12180 PWs) bands (ev): -39.8663 -39.8663 -39.8662 -39.8662 -8.1341 -8.1341 -8.1157 -8.1142 -8.1108 -8.1108 -8.1033 -8.1033 -7.6923 -7.6902 -7.6703 -7.6703 -7.6519 -7.6519 -7.6472 -7.6472 -7.6410 -7.6408 -7.6335 -7.6335 -1.5867 -1.5864 -1.5800 -1.5800 0.3681 0.3693 0.3978 0.3978 3.0646 3.0646 3.1483 3.1483 5.8800 5.8819 5.9129 5.9129 8.1307 8.1330 8.1483 8.1483 10.5759 10.5759 10.8620 10.8620 k = 0.3333 0.5774 0.3078 ( 12192 PWs) bands (ev): -39.8663 -39.8663 -39.8663 -39.8663 -8.1341 -8.1341 -8.1149 -8.1149 -8.1108 -8.1108 -8.1033 -8.1033 -7.6912 -7.6912 -7.6703 -7.6703 -7.6519 -7.6519 -7.6472 -7.6472 -7.6409 -7.6409 -7.6335 -7.6335 -1.5857 -1.5857 -1.5791 -1.5791 0.3662 0.3662 0.3953 0.3953 3.0931 3.0931 3.1189 3.1189 5.8943 5.8943 5.9264 5.9264 8.1153 8.1153 8.1316 8.1316 10.7086 10.7086 10.7264 10.7264 Writing output data file LiGaGe.save init_run : 4.28s CPU 14.07s WALL ( 1 calls) electrons : 706.17s CPU 713.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.47s CPU 1.26s WALL ( 1 calls) Called by electrons: c_bands : 706.15s CPU 713.67s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.82s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.14s CPU 0.56s WALL ( 1 calls) newd : 0.66s CPU 0.74s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.37s WALL ( 323 calls) cegterg : 620.64s CPU 624.15s WALL ( 501 calls) Called by sum_band: Called by *egterg: h_psi : 401.23s CPU 406.63s WALL ( 7847 calls) s_psi : 27.13s CPU 27.33s WALL ( 7847 calls) g_psi : 1.34s CPU 1.33s WALL ( 7023 calls) cdiaghg : 115.49s CPU 114.30s WALL ( 7346 calls) cegterg:over : 58.62s CPU 56.44s WALL ( 7023 calls) cegterg:upda : 21.62s CPU 23.88s WALL ( 7023 calls) cegterg:last : 18.53s CPU 19.15s WALL ( 1470 calls) Called by h_psi: h_psi:vloc : 339.41s CPU 343.19s WALL ( 7847 calls) h_psi:vnl : 61.03s CPU 62.07s WALL ( 7847 calls) add_vuspsi : 20.83s CPU 23.63s WALL ( 7847 calls) General routines calbec : 40.17s CPU 38.36s WALL ( 7847 calls) fft : 0.49s CPU 1.11s WALL ( 15 calls) fftw : 325.95s CPU 328.43s WALL ( 889792 calls) davcio : 0.07s CPU 3.44s WALL ( 646 calls) Parallel routines fft_scatter : 198.37s CPU 194.72s WALL ( 889807 calls) PWSCF : 13m19.03s CPU 16m32.87s WALL This run was terminated on: 2:42:43 15Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=