Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:56: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaPt2.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 82 51 14 2983 1449 216 Max 84 52 15 2986 1460 220 Sum 2989 1843 511 107395 52345 7799 bravais-lattice index = 14 lattice parameter (alat) = 9.9977 a.u. unit-cell volume = 706.6260 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.997733 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 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) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 Na 9.00 22.98980 Na( 1.00) Pt 10.00 195.08400 Pt( 1.00) 12 Sym. Ops., with inversion, found (10 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 -0.0000000 ) f =( 0.5000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) f =( 0.5000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.2886751 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.7500000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 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) = ( 1 -1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 282 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 2) = ( 0.0119048 -0.0068732 0.0097202), wk = 0.0035461 k( 3) = ( 0.0238095 -0.0137464 0.0194404), wk = 0.0035461 k( 4) = ( 0.0357143 -0.0206197 0.0291606), wk = 0.0035461 k( 5) = ( 0.0476191 -0.0274929 0.0388808), wk = 0.0035461 k( 6) = ( 0.0595238 -0.0343661 0.0486010), wk = 0.0035461 k( 7) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0035461 k( 8) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0035461 k( 9) = ( 0.0952381 -0.0549857 0.0777616), wk = 0.0035461 k( 10) = ( 0.1071429 -0.0618590 0.0874818), wk = 0.0035461 k( 11) = ( 0.1190476 -0.0687322 0.0972020), wk = 0.0035461 k( 12) = ( 0.1309524 -0.0756054 0.1069222), wk = 0.0035461 k( 13) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0035461 k( 14) = ( 0.1547619 -0.0893518 0.1263626), wk = 0.0035461 k( 15) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0035461 k( 16) = ( 0.1785714 -0.1030983 0.1458030), wk = 0.0035461 k( 17) = ( 0.1904762 -0.1099715 0.1555232), wk = 0.0035461 k( 18) = ( 0.2023810 -0.1168447 0.1652434), wk = 0.0035461 k( 19) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0035461 k( 20) = ( 0.2261905 -0.1305911 0.1846838), wk = 0.0035461 k( 21) = ( 0.2380952 -0.1374644 0.1944039), wk = 0.0035461 k( 22) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0035461 k( 23) = ( 0.2619048 -0.1512108 0.2138443), wk = 0.0035461 k( 24) = ( 0.2738095 -0.1580840 0.2235645), wk = 0.0035461 k( 25) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0035461 k( 26) = ( 0.2976190 -0.1718304 0.2430049), wk = 0.0035461 k( 27) = ( 0.3095238 -0.1787037 0.2527251), wk = 0.0035461 k( 28) = ( 0.3214286 -0.1855769 0.2624453), wk = 0.0035461 k( 29) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0035461 k( 30) = ( 0.3452381 -0.1993233 0.2818857), wk = 0.0035461 k( 31) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0035461 k( 32) = ( 0.3690476 -0.2130697 0.3013261), wk = 0.0035461 k( 33) = ( 0.3809524 -0.2199430 0.3110463), wk = 0.0035461 k( 34) = ( 0.3928571 -0.2268162 0.3207665), wk = 0.0035461 k( 35) = ( 0.4047619 -0.2336894 0.3304867), wk = 0.0035461 k( 36) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0035461 k( 37) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0035461 k( 38) = ( 0.4404762 -0.2543090 0.3596473), wk = 0.0035461 k( 39) = ( 0.4523810 -0.2611823 0.3693675), wk = 0.0035461 k( 40) = ( 0.4642857 -0.2680555 0.3790877), wk = 0.0035461 k( 41) = ( 0.4761905 -0.2749287 0.3888079), wk = 0.0035461 k( 42) = ( 0.4880952 -0.2818019 0.3985281), wk = 0.0035461 k( 43) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0035461 k( 44) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0035461 k( 45) = ( 0.5000000 -0.2749287 0.4179685), wk = 0.0035461 k( 46) = ( 0.5000000 -0.2611823 0.4276887), wk = 0.0035461 k( 47) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0035461 k( 48) = ( 0.5000000 -0.2336894 0.4471291), wk = 0.0035461 k( 49) = ( 0.5000000 -0.2199430 0.4568493), wk = 0.0035461 k( 50) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0035461 k( 51) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0035461 k( 52) = ( 0.5000000 -0.1787036 0.4860099), wk = 0.0035461 k( 53) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0035461 k( 54) = ( 0.5000000 -0.1512108 0.5054503), wk = 0.0035461 k( 55) = ( 0.5000000 -0.1374644 0.5151705), wk = 0.0035461 k( 56) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0035461 k( 57) = ( 0.5000000 -0.1099715 0.5346109), wk = 0.0035461 k( 58) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0035461 k( 59) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0035461 k( 60) = ( 0.5000000 -0.0687322 0.5637714), wk = 0.0035461 k( 61) = ( 0.5000000 -0.0549857 0.5734916), wk = 0.0035461 k( 62) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0035461 k( 63) = ( 0.5000000 -0.0274929 0.5929320), wk = 0.0035461 k( 64) = ( 0.5000000 -0.0137464 0.6026522), wk = 0.0035461 k( 65) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035461 k( 66) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035461 k( 67) = ( 0.4916667 0.0144338 0.6123724), wk = 0.0035461 k( 68) = ( 0.4833333 0.0288675 0.6123724), wk = 0.0035461 k( 69) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0035461 k( 70) = ( 0.4666667 0.0577350 0.6123724), wk = 0.0035461 k( 71) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0035461 k( 72) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0035461 k( 73) = ( 0.4416667 0.1010363 0.6123724), wk = 0.0035461 k( 74) = ( 0.4333333 0.1154701 0.6123724), wk = 0.0035461 k( 75) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0035461 k( 76) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0035461 k( 77) = ( 0.4083333 0.1587713 0.6123724), wk = 0.0035461 k( 78) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0035461 k( 79) = ( 0.3916667 0.1876388 0.6123724), wk = 0.0035461 k( 80) = ( 0.3833333 0.2020726 0.6123724), wk = 0.0035461 k( 81) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0035461 k( 82) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0035461 k( 83) = ( 0.3666667 0.2116951 0.5987642), wk = 0.0035461 k( 84) = ( 0.3583333 0.2068838 0.5851559), wk = 0.0035461 k( 85) = ( 0.3500000 0.2020726 0.5715476), wk = 0.0035461 k( 86) = ( 0.3416667 0.1972613 0.5579393), wk = 0.0035461 k( 87) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0035461 k( 88) = ( 0.3250000 0.1876388 0.5307228), wk = 0.0035461 k( 89) = ( 0.3166667 0.1828276 0.5171145), wk = 0.0035461 k( 90) = ( 0.3083333 0.1780163 0.5035062), wk = 0.0035461 k( 91) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0035461 k( 92) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0035461 k( 93) = ( 0.2833333 0.1635826 0.4626814), wk = 0.0035461 k( 94) = ( 0.2750000 0.1587713 0.4490731), wk = 0.0035461 k( 95) = ( 0.2666667 0.1539601 0.4354648), wk = 0.0035461 k( 96) = ( 0.2583333 0.1491488 0.4218566), wk = 0.0035461 k( 97) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0035461 k( 98) = ( 0.2416667 0.1395263 0.3946400), wk = 0.0035461 k( 99) = ( 0.2333333 0.1347151 0.3810317), wk = 0.0035461 k( 100) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0035461 k( 101) = ( 0.2166667 0.1250926 0.3538152), wk = 0.0035461 k( 102) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0035461 k( 103) = ( 0.2000000 0.1154701 0.3265986), wk = 0.0035461 k( 104) = ( 0.1916667 0.1106588 0.3129903), wk = 0.0035461 k( 105) = ( 0.1833333 0.1058475 0.2993821), wk = 0.0035461 k( 106) = ( 0.1750000 0.1010363 0.2857738), wk = 0.0035461 k( 107) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0035461 k( 108) = ( 0.1583333 0.0914138 0.2585573), wk = 0.0035461 k( 109) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0035461 k( 110) = ( 0.1416667 0.0817913 0.2313407), wk = 0.0035461 k( 111) = ( 0.1333333 0.0769800 0.2177324), wk = 0.0035461 k( 112) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0035461 k( 113) = ( 0.1166667 0.0673575 0.1905159), wk = 0.0035461 k( 114) = ( 0.1083333 0.0625463 0.1769076), wk = 0.0035461 k( 115) = ( 0.1000000 0.0577350 0.1632993), wk = 0.0035461 k( 116) = ( 0.0916667 0.0529238 0.1496910), wk = 0.0035461 k( 117) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0035461 k( 118) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0035461 k( 119) = ( 0.0666667 0.0384900 0.1088662), wk = 0.0035461 k( 120) = ( 0.0583333 0.0336788 0.0952579), wk = 0.0035461 k( 121) = ( 0.0500000 0.0288675 0.0816497), wk = 0.0035461 k( 122) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0035461 k( 123) = ( 0.0333333 0.0192450 0.0544331), wk = 0.0035461 k( 124) = ( 0.0250000 0.0144338 0.0408248), wk = 0.0035461 k( 125) = ( 0.0166667 0.0096225 0.0272165), wk = 0.0035461 k( 126) = ( 0.0083333 0.0048113 0.0136083), wk = 0.0035461 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 129) = ( 0.0135135 0.0078020 0.0055169), wk = 0.0035461 k( 130) = ( 0.0270270 0.0156041 0.0110337), wk = 0.0035461 k( 131) = ( 0.0405405 0.0234061 0.0165506), wk = 0.0035461 k( 132) = ( 0.0540540 0.0312081 0.0220675), wk = 0.0035461 k( 133) = ( 0.0675676 0.0390102 0.0275843), wk = 0.0035461 k( 134) = ( 0.0810811 0.0468122 0.0331012), wk = 0.0035461 k( 135) = ( 0.0945946 0.0546142 0.0386181), wk = 0.0035461 k( 136) = ( 0.1081081 0.0624162 0.0441350), wk = 0.0035461 k( 137) = ( 0.1216216 0.0702183 0.0496518), wk = 0.0035461 k( 138) = ( 0.1351351 0.0780203 0.0551687), wk = 0.0035461 k( 139) = ( 0.1486486 0.0858223 0.0606856), wk = 0.0035461 k( 140) = ( 0.1621622 0.0936244 0.0662024), wk = 0.0035461 k( 141) = ( 0.1756757 0.1014264 0.0717193), wk = 0.0035461 k( 142) = ( 0.1891892 0.1092284 0.0772362), wk = 0.0035461 k( 143) = ( 0.2027027 0.1170305 0.0827530), wk = 0.0035461 k( 144) = ( 0.2162162 0.1248325 0.0882699), wk = 0.0035461 k( 145) = ( 0.2297297 0.1326345 0.0937868), wk = 0.0035461 k( 146) = ( 0.2432432 0.1404366 0.0993036), wk = 0.0035461 k( 147) = ( 0.2567568 0.1482386 0.1048205), wk = 0.0035461 k( 148) = ( 0.2702703 0.1560406 0.1103374), wk = 0.0035461 k( 149) = ( 0.2837838 0.1638426 0.1158542), wk = 0.0035461 k( 150) = ( 0.2972973 0.1716447 0.1213711), wk = 0.0035461 k( 151) = ( 0.3108108 0.1794467 0.1268880), wk = 0.0035461 k( 152) = ( 0.3243243 0.1872487 0.1324048), wk = 0.0035461 k( 153) = ( 0.3378378 0.1950508 0.1379217), wk = 0.0035461 k( 154) = ( 0.3513514 0.2028528 0.1434386), wk = 0.0035461 k( 155) = ( 0.3648649 0.2106548 0.1489555), wk = 0.0035461 k( 156) = ( 0.3783784 0.2184569 0.1544723), wk = 0.0035461 k( 157) = ( 0.3918919 0.2262589 0.1599892), wk = 0.0035461 k( 158) = ( 0.4054054 0.2340609 0.1655061), wk = 0.0035461 k( 159) = ( 0.4189189 0.2418630 0.1710229), wk = 0.0035461 k( 160) = ( 0.4324324 0.2496650 0.1765398), wk = 0.0035461 k( 161) = ( 0.4459459 0.2574670 0.1820567), wk = 0.0035461 k( 162) = ( 0.4594595 0.2652690 0.1875735), wk = 0.0035461 k( 163) = ( 0.4729730 0.2730711 0.1930904), wk = 0.0035461 k( 164) = ( 0.4864865 0.2808731 0.1986073), wk = 0.0035461 k( 165) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035461 k( 166) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035461 k( 167) = ( 0.5048077 0.2747965 0.2119751), wk = 0.0035461 k( 168) = ( 0.5096154 0.2609179 0.2198260), wk = 0.0035461 k( 169) = ( 0.5144231 0.2470393 0.2276769), wk = 0.0035461 k( 170) = ( 0.5192308 0.2331607 0.2355279), wk = 0.0035461 k( 171) = ( 0.5240385 0.2192821 0.2433788), wk = 0.0035461 k( 172) = ( 0.5288462 0.2054035 0.2512297), wk = 0.0035461 k( 173) = ( 0.5336538 0.1915248 0.2590806), wk = 0.0035461 k( 174) = ( 0.5384615 0.1776462 0.2669316), wk = 0.0035461 k( 175) = ( 0.5432692 0.1637676 0.2747825), wk = 0.0035461 k( 176) = ( 0.5480769 0.1498890 0.2826334), wk = 0.0035461 k( 177) = ( 0.5528846 0.1360104 0.2904844), wk = 0.0035461 k( 178) = ( 0.5576923 0.1221318 0.2983353), wk = 0.0035461 k( 179) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0035461 k( 180) = ( 0.5673077 0.0943746 0.3140371), wk = 0.0035461 k( 181) = ( 0.5721154 0.0804960 0.3218881), wk = 0.0035461 k( 182) = ( 0.5769231 0.0666173 0.3297390), wk = 0.0035461 k( 183) = ( 0.5817308 0.0527387 0.3375899), wk = 0.0035461 k( 184) = ( 0.5865385 0.0388601 0.3454409), wk = 0.0035461 k( 185) = ( 0.5913462 0.0249815 0.3532918), wk = 0.0035461 k( 186) = ( 0.5961538 0.0111029 0.3611427), wk = 0.0035461 k( 187) = ( 0.6009615 -0.0027757 0.3689936), wk = 0.0035461 k( 188) = ( 0.6057692 -0.0166543 0.3768446), wk = 0.0035461 k( 189) = ( 0.6105769 -0.0305329 0.3846955), wk = 0.0035461 k( 190) = ( 0.6153846 -0.0444116 0.3925464), wk = 0.0035461 k( 191) = ( 0.6201923 -0.0582902 0.4003974), wk = 0.0035461 k( 192) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0035461 k( 193) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0035461 k( 194) = ( 0.6166667 -0.0673575 0.4218566), wk = 0.0035461 k( 195) = ( 0.6083333 -0.0625463 0.4354648), wk = 0.0035461 k( 196) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0035461 k( 197) = ( 0.5916667 -0.0529238 0.4626814), wk = 0.0035461 k( 198) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0035461 k( 199) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0035461 k( 200) = ( 0.5666667 -0.0384900 0.5035062), wk = 0.0035461 k( 201) = ( 0.5583333 -0.0336788 0.5171145), wk = 0.0035461 k( 202) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0035461 k( 203) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0035461 k( 204) = ( 0.5333333 -0.0192450 0.5579393), wk = 0.0035461 k( 205) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0035461 k( 206) = ( 0.5166667 -0.0096225 0.5851559), wk = 0.0035461 k( 207) = ( 0.5083333 -0.0048113 0.5987642), wk = 0.0035461 k( 208) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035461 k( 209) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035461 k( 210) = ( 0.5000000 0.0096225 0.5987642), wk = 0.0035461 k( 211) = ( 0.5000000 0.0192450 0.5851559), wk = 0.0035461 k( 212) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0035461 k( 213) = ( 0.5000000 0.0384900 0.5579393), wk = 0.0035461 k( 214) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0035461 k( 215) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0035461 k( 216) = ( 0.5000000 0.0673575 0.5171145), wk = 0.0035461 k( 217) = ( 0.5000000 0.0769800 0.5035062), wk = 0.0035461 k( 218) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0035461 k( 219) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0035461 k( 220) = ( 0.5000000 0.1058476 0.4626814), wk = 0.0035461 k( 221) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0035461 k( 222) = ( 0.5000000 0.1250926 0.4354648), wk = 0.0035461 k( 223) = ( 0.5000000 0.1347151 0.4218566), wk = 0.0035461 k( 224) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0035461 k( 225) = ( 0.5000000 0.1539601 0.3946400), wk = 0.0035461 k( 226) = ( 0.5000000 0.1635826 0.3810317), wk = 0.0035461 k( 227) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0035461 k( 228) = ( 0.5000000 0.1828276 0.3538152), wk = 0.0035461 k( 229) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0035461 k( 230) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0035461 k( 231) = ( 0.5000000 0.2116951 0.3129904), wk = 0.0035461 k( 232) = ( 0.5000000 0.2213176 0.2993821), wk = 0.0035461 k( 233) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0035461 k( 234) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0035461 k( 235) = ( 0.5000000 0.2501851 0.2585572), wk = 0.0035461 k( 236) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0035461 k( 237) = ( 0.5000000 0.2694301 0.2313407), wk = 0.0035461 k( 238) = ( 0.5000000 0.2790526 0.2177324), wk = 0.0035461 k( 239) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035461 k( 240) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035461 k( 241) = ( 0.4951923 0.2858994 0.2198260), wk = 0.0035461 k( 242) = ( 0.4903846 0.2831237 0.2355279), wk = 0.0035461 k( 243) = ( 0.4855769 0.2803480 0.2512297), wk = 0.0035461 k( 244) = ( 0.4807692 0.2775722 0.2669316), wk = 0.0035461 k( 245) = ( 0.4759615 0.2747965 0.2826334), wk = 0.0035461 k( 246) = ( 0.4711538 0.2720208 0.2983353), wk = 0.0035461 k( 247) = ( 0.4663462 0.2692451 0.3140371), wk = 0.0035461 k( 248) = ( 0.4615385 0.2664694 0.3297390), wk = 0.0035461 k( 249) = ( 0.4567308 0.2636936 0.3454409), wk = 0.0035461 k( 250) = ( 0.4519231 0.2609179 0.3611427), wk = 0.0035461 k( 251) = ( 0.4471154 0.2581422 0.3768446), wk = 0.0035461 k( 252) = ( 0.4423077 0.2553665 0.3925464), wk = 0.0035461 k( 253) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0035461 k( 254) = ( 0.4326923 0.2498150 0.4239501), wk = 0.0035461 k( 255) = ( 0.4278846 0.2470393 0.4396520), wk = 0.0035461 k( 256) = ( 0.4230769 0.2442636 0.4553539), wk = 0.0035461 k( 257) = ( 0.4182692 0.2414879 0.4710557), wk = 0.0035461 k( 258) = ( 0.4134615 0.2387121 0.4867576), wk = 0.0035461 k( 259) = ( 0.4086538 0.2359364 0.5024594), wk = 0.0035461 k( 260) = ( 0.4038462 0.2331607 0.5181613), wk = 0.0035461 k( 261) = ( 0.3990385 0.2303850 0.5338632), wk = 0.0035461 k( 262) = ( 0.3942308 0.2276092 0.5495650), wk = 0.0035461 k( 263) = ( 0.3894231 0.2248335 0.5652669), wk = 0.0035461 k( 264) = ( 0.3846154 0.2220578 0.5809687), wk = 0.0035461 k( 265) = ( 0.3798077 0.2192821 0.5966706), wk = 0.0035461 k( 266) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0035461 k( 267) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0035461 k( 268) = ( 0.6166667 -0.0866025 0.4082483), wk = 0.0035461 k( 269) = ( 0.6083333 -0.1010363 0.4082483), wk = 0.0035461 k( 270) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0035461 k( 271) = ( 0.5916667 -0.1299038 0.4082483), wk = 0.0035461 k( 272) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0035461 k( 273) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0035461 k( 274) = ( 0.5666667 -0.1732051 0.4082483), wk = 0.0035461 k( 275) = ( 0.5583333 -0.1876388 0.4082483), wk = 0.0035461 k( 276) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0035461 k( 277) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0035461 k( 278) = ( 0.5333333 -0.2309401 0.4082483), wk = 0.0035461 k( 279) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0035461 k( 280) = ( 0.5166667 -0.2598076 0.4082483), wk = 0.0035461 k( 281) = ( 0.5083333 -0.2742414 0.4082483), wk = 0.0035461 k( 282) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0035461 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 2) = ( 0.0119048 0.0000000 0.0119048), wk = 0.0035461 k( 3) = ( 0.0238095 0.0000000 0.0238095), wk = 0.0035461 k( 4) = ( 0.0357143 0.0000000 0.0357143), wk = 0.0035461 k( 5) = ( 0.0476191 0.0000000 0.0476191), wk = 0.0035461 k( 6) = ( 0.0595238 0.0000000 0.0595238), wk = 0.0035461 k( 7) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0035461 k( 8) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0035461 k( 9) = ( 0.0952381 0.0000000 0.0952381), wk = 0.0035461 k( 10) = ( 0.1071429 0.0000000 0.1071429), wk = 0.0035461 k( 11) = ( 0.1190476 0.0000000 0.1190476), wk = 0.0035461 k( 12) = ( 0.1309524 0.0000000 0.1309524), wk = 0.0035461 k( 13) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0035461 k( 14) = ( 0.1547619 -0.0000000 0.1547619), wk = 0.0035461 k( 15) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0035461 k( 16) = ( 0.1785714 0.0000000 0.1785714), wk = 0.0035461 k( 17) = ( 0.1904762 0.0000000 0.1904762), wk = 0.0035461 k( 18) = ( 0.2023810 -0.0000000 0.2023810), wk = 0.0035461 k( 19) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0035461 k( 20) = ( 0.2261905 0.0000000 0.2261905), wk = 0.0035461 k( 21) = ( 0.2380952 0.0000000 0.2380952), wk = 0.0035461 k( 22) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0035461 k( 23) = ( 0.2619048 0.0000000 0.2619048), wk = 0.0035461 k( 24) = ( 0.2738095 0.0000000 0.2738095), wk = 0.0035461 k( 25) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0035461 k( 26) = ( 0.2976190 -0.0000000 0.2976190), wk = 0.0035461 k( 27) = ( 0.3095238 -0.0000000 0.3095238), wk = 0.0035461 k( 28) = ( 0.3214286 -0.0000000 0.3214286), wk = 0.0035461 k( 29) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0035461 k( 30) = ( 0.3452381 0.0000000 0.3452381), wk = 0.0035461 k( 31) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0035461 k( 32) = ( 0.3690476 0.0000000 0.3690476), wk = 0.0035461 k( 33) = ( 0.3809524 0.0000000 0.3809524), wk = 0.0035461 k( 34) = ( 0.3928571 -0.0000000 0.3928571), wk = 0.0035461 k( 35) = ( 0.4047619 -0.0000000 0.4047619), wk = 0.0035461 k( 36) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0035461 k( 37) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0035461 k( 38) = ( 0.4404762 0.0000000 0.4404762), wk = 0.0035461 k( 39) = ( 0.4523810 0.0000000 0.4523810), wk = 0.0035461 k( 40) = ( 0.4642857 -0.0000000 0.4642857), wk = 0.0035461 k( 41) = ( 0.4761905 0.0000000 0.4761905), wk = 0.0035461 k( 42) = ( 0.4880952 0.0000000 0.4880952), wk = 0.0035461 k( 43) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035461 k( 44) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035461 k( 45) = ( 0.5000000 0.0119048 0.5119048), wk = 0.0035461 k( 46) = ( 0.5000000 0.0238095 0.5238095), wk = 0.0035461 k( 47) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0035461 k( 48) = ( 0.5000000 0.0476191 0.5476190), wk = 0.0035461 k( 49) = ( 0.5000000 0.0595238 0.5595238), wk = 0.0035461 k( 50) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0035461 k( 51) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0035461 k( 52) = ( 0.5000000 0.0952381 0.5952381), wk = 0.0035461 k( 53) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0035461 k( 54) = ( 0.5000000 0.1190476 0.6190476), wk = 0.0035461 k( 55) = ( 0.5000000 0.1309524 0.6309524), wk = 0.0035461 k( 56) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0035461 k( 57) = ( 0.5000000 0.1547619 0.6547619), wk = 0.0035461 k( 58) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0035461 k( 59) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0035461 k( 60) = ( 0.5000000 0.1904762 0.6904762), wk = 0.0035461 k( 61) = ( 0.5000000 0.2023810 0.7023810), wk = 0.0035461 k( 62) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0035461 k( 63) = ( 0.5000000 0.2261905 0.7261905), wk = 0.0035461 k( 64) = ( 0.5000000 0.2380952 0.7380952), wk = 0.0035461 k( 65) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035461 k( 66) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035461 k( 67) = ( 0.4916667 0.2583333 0.7500000), wk = 0.0035461 k( 68) = ( 0.4833333 0.2666667 0.7500000), wk = 0.0035461 k( 69) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0035461 k( 70) = ( 0.4666667 0.2833333 0.7500000), wk = 0.0035461 k( 71) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0035461 k( 72) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0035461 k( 73) = ( 0.4416667 0.3083333 0.7500000), wk = 0.0035461 k( 74) = ( 0.4333333 0.3166667 0.7500000), wk = 0.0035461 k( 75) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0035461 k( 76) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0035461 k( 77) = ( 0.4083333 0.3416667 0.7500000), wk = 0.0035461 k( 78) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0035461 k( 79) = ( 0.3916667 0.3583333 0.7500000), wk = 0.0035461 k( 80) = ( 0.3833333 0.3666667 0.7500000), wk = 0.0035461 k( 81) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0035461 k( 82) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0035461 k( 83) = ( 0.3666667 0.3666667 0.7333333), wk = 0.0035461 k( 84) = ( 0.3583333 0.3583333 0.7166667), wk = 0.0035461 k( 85) = ( 0.3500000 0.3500000 0.7000000), wk = 0.0035461 k( 86) = ( 0.3416667 0.3416667 0.6833333), wk = 0.0035461 k( 87) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0035461 k( 88) = ( 0.3250000 0.3250000 0.6500000), wk = 0.0035461 k( 89) = ( 0.3166667 0.3166667 0.6333333), wk = 0.0035461 k( 90) = ( 0.3083333 0.3083333 0.6166667), wk = 0.0035461 k( 91) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0035461 k( 92) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0035461 k( 93) = ( 0.2833333 0.2833333 0.5666667), wk = 0.0035461 k( 94) = ( 0.2750000 0.2750000 0.5500000), wk = 0.0035461 k( 95) = ( 0.2666667 0.2666667 0.5333333), wk = 0.0035461 k( 96) = ( 0.2583333 0.2583333 0.5166667), wk = 0.0035461 k( 97) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0035461 k( 98) = ( 0.2416667 0.2416667 0.4833333), wk = 0.0035461 k( 99) = ( 0.2333333 0.2333333 0.4666667), wk = 0.0035461 k( 100) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0035461 k( 101) = ( 0.2166667 0.2166667 0.4333333), wk = 0.0035461 k( 102) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0035461 k( 103) = ( 0.2000000 0.2000000 0.4000000), wk = 0.0035461 k( 104) = ( 0.1916667 0.1916667 0.3833333), wk = 0.0035461 k( 105) = ( 0.1833333 0.1833333 0.3666667), wk = 0.0035461 k( 106) = ( 0.1750000 0.1750000 0.3500000), wk = 0.0035461 k( 107) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0035461 k( 108) = ( 0.1583333 0.1583333 0.3166667), wk = 0.0035461 k( 109) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0035461 k( 110) = ( 0.1416667 0.1416667 0.2833333), wk = 0.0035461 k( 111) = ( 0.1333333 0.1333333 0.2666667), wk = 0.0035461 k( 112) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0035461 k( 113) = ( 0.1166667 0.1166667 0.2333333), wk = 0.0035461 k( 114) = ( 0.1083333 0.1083333 0.2166667), wk = 0.0035461 k( 115) = ( 0.1000000 0.1000000 0.2000000), wk = 0.0035461 k( 116) = ( 0.0916667 0.0916667 0.1833333), wk = 0.0035461 k( 117) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0035461 k( 118) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0035461 k( 119) = ( 0.0666667 0.0666667 0.1333333), wk = 0.0035461 k( 120) = ( 0.0583333 0.0583333 0.1166667), wk = 0.0035461 k( 121) = ( 0.0500000 0.0500000 0.1000000), wk = 0.0035461 k( 122) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0035461 k( 123) = ( 0.0333333 0.0333333 0.0666667), wk = 0.0035461 k( 124) = ( 0.0250000 0.0250000 0.0500000), wk = 0.0035461 k( 125) = ( 0.0166667 0.0166667 0.0333333), wk = 0.0035461 k( 126) = ( 0.0083333 0.0083333 0.0166667), wk = 0.0035461 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 129) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0035461 k( 130) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0035461 k( 131) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0035461 k( 132) = ( 0.0540540 0.0540541 0.0540540), wk = 0.0035461 k( 133) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0035461 k( 134) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0035461 k( 135) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0035461 k( 136) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0035461 k( 137) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0035461 k( 138) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0035461 k( 139) = ( 0.1486486 0.1486487 0.1486487), wk = 0.0035461 k( 140) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0035461 k( 141) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0035461 k( 142) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0035461 k( 143) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0035461 k( 144) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0035461 k( 145) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0035461 k( 146) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0035461 k( 147) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0035461 k( 148) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0035461 k( 149) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0035461 k( 150) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0035461 k( 151) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0035461 k( 152) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0035461 k( 153) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0035461 k( 154) = ( 0.3513514 0.3513514 0.3513514), wk = 0.0035461 k( 155) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0035461 k( 156) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0035461 k( 157) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0035461 k( 158) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0035461 k( 159) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0035461 k( 160) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0035461 k( 161) = ( 0.4459459 0.4459459 0.4459460), wk = 0.0035461 k( 162) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0035461 k( 163) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0035461 k( 164) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0035461 k( 165) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 166) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 167) = ( 0.5048077 0.4903846 0.5048077), wk = 0.0035461 k( 168) = ( 0.5096154 0.4807692 0.5096154), wk = 0.0035461 k( 169) = ( 0.5144231 0.4711538 0.5144231), wk = 0.0035461 k( 170) = ( 0.5192308 0.4615385 0.5192308), wk = 0.0035461 k( 171) = ( 0.5240385 0.4519231 0.5240385), wk = 0.0035461 k( 172) = ( 0.5288462 0.4423077 0.5288462), wk = 0.0035461 k( 173) = ( 0.5336538 0.4326923 0.5336539), wk = 0.0035461 k( 174) = ( 0.5384615 0.4230769 0.5384615), wk = 0.0035461 k( 175) = ( 0.5432692 0.4134615 0.5432692), wk = 0.0035461 k( 176) = ( 0.5480769 0.4038462 0.5480769), wk = 0.0035461 k( 177) = ( 0.5528846 0.3942308 0.5528846), wk = 0.0035461 k( 178) = ( 0.5576923 0.3846154 0.5576923), wk = 0.0035461 k( 179) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0035461 k( 180) = ( 0.5673077 0.3653846 0.5673077), wk = 0.0035461 k( 181) = ( 0.5721154 0.3557692 0.5721154), wk = 0.0035461 k( 182) = ( 0.5769231 0.3461538 0.5769231), wk = 0.0035461 k( 183) = ( 0.5817308 0.3365385 0.5817308), wk = 0.0035461 k( 184) = ( 0.5865385 0.3269231 0.5865385), wk = 0.0035461 k( 185) = ( 0.5913462 0.3173077 0.5913462), wk = 0.0035461 k( 186) = ( 0.5961538 0.3076923 0.5961539), wk = 0.0035461 k( 187) = ( 0.6009615 0.2980769 0.6009615), wk = 0.0035461 k( 188) = ( 0.6057692 0.2884615 0.6057692), wk = 0.0035461 k( 189) = ( 0.6105769 0.2788462 0.6105769), wk = 0.0035461 k( 190) = ( 0.6153846 0.2692308 0.6153846), wk = 0.0035461 k( 191) = ( 0.6201923 0.2596154 0.6201923), wk = 0.0035461 k( 192) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0035461 k( 193) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0035461 k( 194) = ( 0.6166667 0.2500000 0.6333333), wk = 0.0035461 k( 195) = ( 0.6083333 0.2500000 0.6416667), wk = 0.0035461 k( 196) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0035461 k( 197) = ( 0.5916667 0.2500000 0.6583333), wk = 0.0035461 k( 198) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0035461 k( 199) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0035461 k( 200) = ( 0.5666667 0.2500000 0.6833333), wk = 0.0035461 k( 201) = ( 0.5583333 0.2500000 0.6916667), wk = 0.0035461 k( 202) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0035461 k( 203) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0035461 k( 204) = ( 0.5333333 0.2500000 0.7166667), wk = 0.0035461 k( 205) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0035461 k( 206) = ( 0.5166667 0.2500000 0.7333333), wk = 0.0035461 k( 207) = ( 0.5083333 0.2500000 0.7416667), wk = 0.0035461 k( 208) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035461 k( 209) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035461 k( 210) = ( 0.5000000 0.2583333 0.7416667), wk = 0.0035461 k( 211) = ( 0.5000000 0.2666667 0.7333333), wk = 0.0035461 k( 212) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0035461 k( 213) = ( 0.5000000 0.2833333 0.7166667), wk = 0.0035461 k( 214) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0035461 k( 215) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0035461 k( 216) = ( 0.5000000 0.3083333 0.6916667), wk = 0.0035461 k( 217) = ( 0.5000000 0.3166667 0.6833333), wk = 0.0035461 k( 218) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0035461 k( 219) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0035461 k( 220) = ( 0.5000000 0.3416667 0.6583333), wk = 0.0035461 k( 221) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0035461 k( 222) = ( 0.5000000 0.3583333 0.6416667), wk = 0.0035461 k( 223) = ( 0.5000000 0.3666667 0.6333333), wk = 0.0035461 k( 224) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0035461 k( 225) = ( 0.5000000 0.3833333 0.6166667), wk = 0.0035461 k( 226) = ( 0.5000000 0.3916667 0.6083333), wk = 0.0035461 k( 227) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0035461 k( 228) = ( 0.5000000 0.4083333 0.5916667), wk = 0.0035461 k( 229) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0035461 k( 230) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0035461 k( 231) = ( 0.5000000 0.4333333 0.5666667), wk = 0.0035461 k( 232) = ( 0.5000000 0.4416667 0.5583333), wk = 0.0035461 k( 233) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0035461 k( 234) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0035461 k( 235) = ( 0.5000000 0.4666667 0.5333333), wk = 0.0035461 k( 236) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0035461 k( 237) = ( 0.5000000 0.4833333 0.5166667), wk = 0.0035461 k( 238) = ( 0.5000000 0.4916667 0.5083333), wk = 0.0035461 k( 239) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 240) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 241) = ( 0.4951923 0.4951923 0.5096154), wk = 0.0035461 k( 242) = ( 0.4903846 0.4903846 0.5192308), wk = 0.0035461 k( 243) = ( 0.4855769 0.4855769 0.5288462), wk = 0.0035461 k( 244) = ( 0.4807692 0.4807692 0.5384615), wk = 0.0035461 k( 245) = ( 0.4759615 0.4759615 0.5480769), wk = 0.0035461 k( 246) = ( 0.4711538 0.4711538 0.5576923), wk = 0.0035461 k( 247) = ( 0.4663462 0.4663462 0.5673077), wk = 0.0035461 k( 248) = ( 0.4615385 0.4615385 0.5769231), wk = 0.0035461 k( 249) = ( 0.4567308 0.4567308 0.5865385), wk = 0.0035461 k( 250) = ( 0.4519231 0.4519231 0.5961539), wk = 0.0035461 k( 251) = ( 0.4471154 0.4471154 0.6057692), wk = 0.0035461 k( 252) = ( 0.4423077 0.4423077 0.6153846), wk = 0.0035461 k( 253) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0035461 k( 254) = ( 0.4326923 0.4326923 0.6346154), wk = 0.0035461 k( 255) = ( 0.4278846 0.4278846 0.6442308), wk = 0.0035461 k( 256) = ( 0.4230769 0.4230769 0.6538462), wk = 0.0035461 k( 257) = ( 0.4182692 0.4182692 0.6634615), wk = 0.0035461 k( 258) = ( 0.4134615 0.4134615 0.6730769), wk = 0.0035461 k( 259) = ( 0.4086538 0.4086538 0.6826923), wk = 0.0035461 k( 260) = ( 0.4038462 0.4038462 0.6923077), wk = 0.0035461 k( 261) = ( 0.3990385 0.3990385 0.7019231), wk = 0.0035461 k( 262) = ( 0.3942308 0.3942308 0.7115385), wk = 0.0035461 k( 263) = ( 0.3894231 0.3894231 0.7211539), wk = 0.0035461 k( 264) = ( 0.3846154 0.3846154 0.7307692), wk = 0.0035461 k( 265) = ( 0.3798077 0.3798077 0.7403846), wk = 0.0035461 k( 266) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0035461 k( 267) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0035461 k( 268) = ( 0.6166667 0.2333333 0.6166667), wk = 0.0035461 k( 269) = ( 0.6083333 0.2166667 0.6083333), wk = 0.0035461 k( 270) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0035461 k( 271) = ( 0.5916667 0.1833333 0.5916667), wk = 0.0035461 k( 272) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0035461 k( 273) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0035461 k( 274) = ( 0.5666667 0.1333333 0.5666667), wk = 0.0035461 k( 275) = ( 0.5583333 0.1166667 0.5583333), wk = 0.0035461 k( 276) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0035461 k( 277) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0035461 k( 278) = ( 0.5333333 0.0666667 0.5333333), wk = 0.0035461 k( 279) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0035461 k( 280) = ( 0.5166667 0.0333333 0.5166667), wk = 0.0035461 k( 281) = ( 0.5083333 0.0166667 0.5083333), wk = 0.0035461 k( 282) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035461 Dense grid: 107395 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 52345 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.41 Mb ( 380, 70) NL pseudopotentials 0.48 Mb ( 190, 164) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2984) G-vector shells 0.01 Mb ( 669) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.62 Mb ( 380, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.35 Mb ( 164, 2, 70) The potential is recalculated from file : ./NaPt2.save/charge-density.dat Starting wfc are 92 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.6 secs Computing kpt #: 6 total cpu time spent up to now is 8.8 secs Computing kpt #: 7 total cpu time spent up to now is 10.0 secs Computing kpt #: 8 total cpu time spent up to now is 11.2 secs Computing kpt #: 9 total cpu time spent up to now is 12.4 secs Computing kpt #: 10 total cpu time spent up to now is 13.6 secs Computing kpt #: 11 total cpu time spent up to now is 14.8 secs Computing kpt #: 12 total cpu time spent up to now is 16.0 secs Computing kpt #: 13 total cpu time spent up to now is 17.2 secs Computing kpt #: 14 total cpu time spent up to now is 18.4 secs Computing kpt #: 15 total cpu time spent up to now is 19.6 secs Computing kpt #: 16 total cpu time spent up to now is 20.7 secs Computing kpt #: 17 total cpu time spent up to now is 21.9 secs Computing kpt #: 18 total cpu time spent up to now is 23.1 secs Computing kpt #: 19 total cpu time spent up to now is 24.2 secs Computing kpt #: 20 total cpu time spent up to now is 25.4 secs Computing kpt #: 21 total cpu time spent up to now is 26.5 secs Computing kpt #: 22 total cpu time spent up to now is 27.7 secs Computing kpt #: 23 total cpu time spent up to now is 28.8 secs Computing kpt #: 24 total cpu time spent up to now is 30.0 secs Computing kpt #: 25 total cpu time spent up to now is 31.1 secs Computing kpt #: 26 total cpu time spent up to now is 32.2 secs Computing kpt #: 27 total cpu time spent up to now is 33.3 secs Computing kpt #: 28 total cpu time spent up to now is 34.5 secs Computing kpt #: 29 total cpu time spent up to now is 35.6 secs Computing kpt #: 30 total cpu time spent up to now is 36.7 secs Computing kpt #: 31 total cpu time spent up to now is 37.9 secs Computing kpt #: 32 total cpu time spent up to now is 39.0 secs Computing kpt #: 33 total cpu time spent up to now is 40.1 secs Computing kpt #: 34 total cpu time spent up to now is 41.3 secs Computing kpt #: 35 total cpu time spent up to now is 42.5 secs Computing kpt #: 36 total cpu time spent up to now is 43.6 secs Computing kpt #: 37 total cpu time spent up to now is 44.8 secs Computing kpt #: 38 total cpu time spent up to now is 46.0 secs Computing kpt #: 39 total cpu time spent up to now is 47.3 secs Computing kpt #: 40 total cpu time spent up to now is 48.6 secs Computing kpt #: 41 total cpu time spent up to now is 50.0 secs Computing kpt #: 42 total cpu time spent up to now is 51.6 secs Computing kpt #: 43 total cpu time spent up to now is 53.5 secs Computing kpt #: 44 total cpu time spent up to now is 55.7 secs Computing kpt #: 45 total cpu time spent up to now is 57.7 secs Computing kpt #: 46 total cpu time spent up to now is 59.2 secs Computing kpt #: 47 total cpu time spent up to now is 60.8 secs Computing kpt #: 48 total cpu time spent up to now is 62.4 secs Computing kpt #: 49 total cpu time spent up to now is 63.9 secs Computing kpt #: 50 total cpu time spent up to now is 65.5 secs Computing kpt #: 51 total cpu time spent up to now is 67.0 secs Computing kpt #: 52 total cpu time spent up to now is 68.6 secs Computing kpt #: 53 total cpu time spent up to now is 70.4 secs Computing kpt #: 54 total cpu time spent up to now is 71.9 secs Computing kpt #: 55 total cpu time spent up to now is 73.5 secs Computing kpt #: 56 total cpu time spent up to now is 75.0 secs Computing kpt #: 57 total cpu time spent up to now is 76.5 secs Computing kpt #: 58 total cpu time spent up to now is 78.0 secs Computing kpt #: 59 total cpu time spent up to now is 79.5 secs Computing kpt #: 60 total cpu time spent up to now is 80.8 secs Computing kpt #: 61 total cpu time spent up to now is 82.0 secs Computing kpt #: 62 total cpu time spent up to now is 83.3 secs Computing kpt #: 63 total cpu time spent up to now is 84.6 secs Computing kpt #: 64 total cpu time spent up to now is 85.8 secs Computing kpt #: 65 total cpu time spent up to now is 87.1 secs Computing kpt #: 66 total cpu time spent up to now is 88.4 secs Computing kpt #: 67 total cpu time spent up to now is 89.7 secs Computing kpt #: 68 total cpu time spent up to now is 91.0 secs Computing kpt #: 69 total cpu time spent up to now is 92.3 secs Computing kpt #: 70 total cpu time spent up to now is 93.5 secs Computing kpt #: 71 total cpu time spent up to now is 94.8 secs Computing kpt #: 72 total cpu time spent up to now is 96.1 secs Computing kpt #: 73 total cpu time spent up to now is 97.4 secs Computing kpt #: 74 total cpu time spent up to now is 98.8 secs Computing kpt #: 75 total cpu time spent up to now is 100.4 secs Computing kpt #: 76 total cpu time spent up to now is 101.9 secs Computing kpt #: 77 total cpu time spent up to now is 103.5 secs Computing kpt #: 78 total cpu time spent up to now is 105.2 secs Computing kpt #: 79 total cpu time spent up to now is 107.1 secs Computing kpt #: 80 total cpu time spent up to now is 109.2 secs Computing kpt #: 81 total cpu time spent up to now is 111.2 secs Computing kpt #: 82 total cpu time spent up to now is 113.2 secs Computing kpt #: 83 total cpu time spent up to now is 114.8 secs Computing kpt #: 84 total cpu time spent up to now is 116.4 secs Computing kpt #: 85 total cpu time spent up to now is 117.9 secs Computing kpt #: 86 total cpu time spent up to now is 119.5 secs Computing kpt #: 87 total cpu time spent up to now is 120.9 secs Computing kpt #: 88 total cpu time spent up to now is 122.2 secs Computing kpt #: 89 total cpu time spent up to now is 123.7 secs Computing kpt #: 90 total cpu time spent up to now is 125.4 secs Computing kpt #: 91 total cpu time spent up to now is 127.7 secs Computing kpt #: 92 total cpu time spent up to now is 129.6 secs Computing kpt #: 93 total cpu time spent up to now is 131.5 secs Computing kpt #: 94 total cpu time spent up to now is 133.5 secs Computing kpt #: 95 total cpu time spent up to now is 135.5 secs Computing kpt #: 96 total cpu time spent up to now is 137.6 secs Computing kpt #: 97 total cpu time spent up to now is 139.5 secs Computing kpt #: 98 total cpu time spent up to now is 141.1 secs Computing kpt #: 99 total cpu time spent up to now is 142.7 secs Computing kpt #: 100 total cpu time spent up to now is 144.1 secs Computing kpt #: 101 total cpu time spent up to now is 145.5 secs Computing kpt #: 102 total cpu time spent up to now is 146.8 secs Computing kpt #: 103 total cpu time spent up to now is 148.1 secs Computing kpt #: 104 total cpu time spent up to now is 149.3 secs Computing kpt #: 105 total cpu time spent up to now is 150.6 secs Computing kpt #: 106 total cpu time spent up to now is 151.8 secs Computing kpt #: 107 total cpu time spent up to now is 153.0 secs Computing kpt #: 108 total cpu time spent up to now is 154.2 secs Computing kpt #: 109 total cpu time spent up to now is 155.5 secs Computing kpt #: 110 total cpu time spent up to now is 156.8 secs Computing kpt #: 111 total cpu time spent up to now is 158.0 secs Computing kpt #: 112 total cpu time spent up to now is 159.2 secs Computing kpt #: 113 total cpu time spent up to now is 160.4 secs Computing kpt #: 114 total cpu time spent up to now is 161.6 secs Computing kpt #: 115 total cpu time spent up to now is 162.8 secs Computing kpt #: 116 total cpu time spent up to now is 164.0 secs Computing kpt #: 117 total cpu time spent up to now is 165.2 secs Computing kpt #: 118 total cpu time spent up to now is 166.5 secs Computing kpt #: 119 total cpu time spent up to now is 167.7 secs Computing kpt #: 120 total cpu time spent up to now is 168.9 secs Computing kpt #: 121 total cpu time spent up to now is 170.1 secs Computing kpt #: 122 total cpu time spent up to now is 171.3 secs Computing kpt #: 123 total cpu time spent up to now is 172.5 secs Computing kpt #: 124 total cpu time spent up to now is 173.7 secs Computing kpt #: 125 total cpu time spent up to now is 174.9 secs Computing kpt #: 126 total cpu time spent up to now is 176.0 secs Computing kpt #: 127 total cpu time spent up to now is 177.2 secs Computing kpt #: 128 total cpu time spent up to now is 178.3 secs Computing kpt #: 129 total cpu time spent up to now is 179.5 secs Computing kpt #: 130 total cpu time spent up to now is 180.7 secs Computing kpt #: 131 total cpu time spent up to now is 181.9 secs Computing kpt #: 132 total cpu time spent up to now is 183.1 secs Computing kpt #: 133 total cpu time spent up to now is 184.3 secs Computing kpt #: 134 total cpu time spent up to now is 185.5 secs Computing kpt #: 135 total cpu time spent up to now is 186.7 secs Computing kpt #: 136 total cpu time spent up to now is 187.9 secs Computing kpt #: 137 total cpu time spent up to now is 189.1 secs Computing kpt #: 138 total cpu time spent up to now is 190.2 secs Computing kpt #: 139 total cpu time spent up to now is 191.4 secs Computing kpt #: 140 total cpu time spent up to now is 192.6 secs Computing kpt #: 141 total cpu time spent up to now is 193.7 secs Computing kpt #: 142 total cpu time spent up to now is 194.9 secs Computing kpt #: 143 total cpu time spent up to now is 196.1 secs Computing kpt #: 144 total cpu time spent up to now is 197.2 secs Computing kpt #: 145 total cpu time spent up to now is 198.4 secs Computing kpt #: 146 total cpu time spent up to now is 199.5 secs Computing kpt #: 147 total cpu time spent up to now is 200.6 secs Computing kpt #: 148 total cpu time spent up to now is 201.6 secs Computing kpt #: 149 total cpu time spent up to now is 202.6 secs Computing kpt #: 150 total cpu time spent up to now is 203.6 secs Computing kpt #: 151 total cpu time spent up to now is 204.6 secs Computing kpt #: 152 total cpu time spent up to now is 205.6 secs Computing kpt #: 153 total cpu time spent up to now is 206.6 secs Computing kpt #: 154 total cpu time spent up to now is 207.6 secs Computing kpt #: 155 total cpu time spent up to now is 208.6 secs Computing kpt #: 156 total cpu time spent up to now is 209.6 secs Computing kpt #: 157 total cpu time spent up to now is 210.5 secs Computing kpt #: 158 total cpu time spent up to now is 211.5 secs Computing kpt #: 159 total cpu time spent up to now is 212.5 secs Computing kpt #: 160 total cpu time spent up to now is 213.4 secs Computing kpt #: 161 total cpu time spent up to now is 214.4 secs Computing kpt #: 162 total cpu time spent up to now is 215.3 secs Computing kpt #: 163 total cpu time spent up to now is 216.2 secs Computing kpt #: 164 total cpu time spent up to now is 217.1 secs Computing kpt #: 165 total cpu time spent up to now is 218.1 secs Computing kpt #: 166 total cpu time spent up to now is 219.0 secs Computing kpt #: 167 total cpu time spent up to now is 219.9 secs Computing kpt #: 168 total cpu time spent up to now is 220.9 secs Computing kpt #: 169 total cpu time spent up to now is 221.8 secs Computing kpt #: 170 total cpu time spent up to now is 222.8 secs Computing kpt #: 171 total cpu time spent up to now is 223.7 secs Computing kpt #: 172 total cpu time spent up to now is 224.7 secs Computing kpt #: 173 total cpu time spent up to now is 225.7 secs Computing kpt #: 174 total cpu time spent up to now is 226.7 secs Computing kpt #: 175 total cpu time spent up to now is 227.8 secs Computing kpt #: 176 total cpu time spent up to now is 229.0 secs Computing kpt #: 177 total cpu time spent up to now is 230.1 secs Computing kpt #: 178 total cpu time spent up to now is 231.4 secs Computing kpt #: 179 total cpu time spent up to now is 232.6 secs Computing kpt #: 180 total cpu time spent up to now is 233.9 secs Computing kpt #: 181 total cpu time spent up to now is 235.4 secs Computing kpt #: 182 total cpu time spent up to now is 236.9 secs Computing kpt #: 183 total cpu time spent up to now is 238.2 secs Computing kpt #: 184 total cpu time spent up to now is 239.5 secs Computing kpt #: 185 total cpu time spent up to now is 240.8 secs Computing kpt #: 186 total cpu time spent up to now is 242.0 secs Computing kpt #: 187 total cpu time spent up to now is 243.3 secs Computing kpt #: 188 total cpu time spent up to now is 244.7 secs Computing kpt #: 189 total cpu time spent up to now is 246.2 secs Computing kpt #: 190 total cpu time spent up to now is 247.7 secs Computing kpt #: 191 total cpu time spent up to now is 249.4 secs Computing kpt #: 192 total cpu time spent up to now is 251.3 secs Computing kpt #: 193 total cpu time spent up to now is 253.2 secs Computing kpt #: 194 total cpu time spent up to now is 255.3 secs Computing kpt #: 195 total cpu time spent up to now is 257.2 secs Computing kpt #: 196 total cpu time spent up to now is 259.1 secs Computing kpt #: 197 total cpu time spent up to now is 260.7 secs Computing kpt #: 198 total cpu time spent up to now is 262.2 secs Computing kpt #: 199 total cpu time spent up to now is 263.7 secs Computing kpt #: 200 total cpu time spent up to now is 265.0 secs Computing kpt #: 201 total cpu time spent up to now is 266.3 secs Computing kpt #: 202 total cpu time spent up to now is 267.6 secs Computing kpt #: 203 total cpu time spent up to now is 268.8 secs Computing kpt #: 204 total cpu time spent up to now is 270.1 secs Computing kpt #: 205 total cpu time spent up to now is 271.3 secs Computing kpt #: 206 total cpu time spent up to now is 272.6 secs Computing kpt #: 207 total cpu time spent up to now is 273.9 secs Computing kpt #: 208 total cpu time spent up to now is 275.2 secs Computing kpt #: 209 total cpu time spent up to now is 276.5 secs Computing kpt #: 210 total cpu time spent up to now is 277.7 secs Computing kpt #: 211 total cpu time spent up to now is 279.0 secs Computing kpt #: 212 total cpu time spent up to now is 280.3 secs Computing kpt #: 213 total cpu time spent up to now is 281.6 secs Computing kpt #: 214 total cpu time spent up to now is 282.9 secs Computing kpt #: 215 total cpu time spent up to now is 284.2 secs Computing kpt #: 216 total cpu time spent up to now is 285.7 secs Computing kpt #: 217 total cpu time spent up to now is 287.1 secs Computing kpt #: 218 total cpu time spent up to now is 288.6 secs Computing kpt #: 219 total cpu time spent up to now is 290.2 secs Computing kpt #: 220 total cpu time spent up to now is 291.8 secs Computing kpt #: 221 total cpu time spent up to now is 293.5 secs Computing kpt #: 222 total cpu time spent up to now is 295.3 secs Computing kpt #: 223 total cpu time spent up to now is 297.2 secs Computing kpt #: 224 total cpu time spent up to now is 298.7 secs Computing kpt #: 225 total cpu time spent up to now is 300.1 secs Computing kpt #: 226 total cpu time spent up to now is 301.3 secs Computing kpt #: 227 total cpu time spent up to now is 302.6 secs Computing kpt #: 228 total cpu time spent up to now is 303.7 secs Computing kpt #: 229 total cpu time spent up to now is 304.8 secs Computing kpt #: 230 total cpu time spent up to now is 306.0 secs Computing kpt #: 231 total cpu time spent up to now is 307.0 secs Computing kpt #: 232 total cpu time spent up to now is 308.0 secs Computing kpt #: 233 total cpu time spent up to now is 308.9 secs Computing kpt #: 234 total cpu time spent up to now is 309.9 secs Computing kpt #: 235 total cpu time spent up to now is 310.9 secs Computing kpt #: 236 total cpu time spent up to now is 311.8 secs Computing kpt #: 237 total cpu time spent up to now is 312.7 secs Computing kpt #: 238 total cpu time spent up to now is 313.7 secs Computing kpt #: 239 total cpu time spent up to now is 314.6 secs Computing kpt #: 240 total cpu time spent up to now is 315.5 secs Computing kpt #: 241 total cpu time spent up to now is 316.5 secs Computing kpt #: 242 total cpu time spent up to now is 317.4 secs Computing kpt #: 243 total cpu time spent up to now is 318.3 secs Computing kpt #: 244 total cpu time spent up to now is 319.3 secs Computing kpt #: 245 total cpu time spent up to now is 320.3 secs Computing kpt #: 246 total cpu time spent up to now is 321.2 secs Computing kpt #: 247 total cpu time spent up to now is 322.2 secs Computing kpt #: 248 total cpu time spent up to now is 323.2 secs Computing kpt #: 249 total cpu time spent up to now is 324.4 secs Computing kpt #: 250 total cpu time spent up to now is 325.5 secs Computing kpt #: 251 total cpu time spent up to now is 326.7 secs Computing kpt #: 252 total cpu time spent up to now is 327.9 secs Computing kpt #: 253 total cpu time spent up to now is 329.1 secs Computing kpt #: 254 total cpu time spent up to now is 330.4 secs Computing kpt #: 255 total cpu time spent up to now is 332.0 secs Computing kpt #: 256 total cpu time spent up to now is 333.5 secs Computing kpt #: 257 total cpu time spent up to now is 334.8 secs Computing kpt #: 258 total cpu time spent up to now is 336.1 secs Computing kpt #: 259 total cpu time spent up to now is 337.4 secs Computing kpt #: 260 total cpu time spent up to now is 338.6 secs Computing kpt #: 261 total cpu time spent up to now is 339.9 secs Computing kpt #: 262 total cpu time spent up to now is 341.2 secs Computing kpt #: 263 total cpu time spent up to now is 342.7 secs Computing kpt #: 264 total cpu time spent up to now is 344.3 secs Computing kpt #: 265 total cpu time spent up to now is 345.9 secs Computing kpt #: 266 total cpu time spent up to now is 347.8 secs Computing kpt #: 267 total cpu time spent up to now is 349.8 secs Computing kpt #: 268 total cpu time spent up to now is 351.9 secs Computing kpt #: 269 total cpu time spent up to now is 354.2 secs Computing kpt #: 270 total cpu time spent up to now is 356.4 secs Computing kpt #: 271 total cpu time spent up to now is 358.4 secs Computing kpt #: 272 total cpu time spent up to now is 360.4 secs Computing kpt #: 273 total cpu time spent up to now is 362.2 secs Computing kpt #: 274 total cpu time spent up to now is 364.1 secs Computing kpt #: 275 total cpu time spent up to now is 365.9 secs Computing kpt #: 276 total cpu time spent up to now is 367.7 secs Computing kpt #: 277 total cpu time spent up to now is 369.4 secs Computing kpt #: 278 total cpu time spent up to now is 371.0 secs Computing kpt #: 279 total cpu time spent up to now is 372.8 secs Computing kpt #: 280 total cpu time spent up to now is 374.8 secs Computing kpt #: 281 total cpu time spent up to now is 377.1 secs Computing kpt #: 282 total cpu time spent up to now is 378.9 secs ethr = 1.72E-08, avg # of iterations = 34.8 total cpu time spent up to now is 378.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6567 PWs) bands (ev): -39.9743 -39.9743 -39.9652 -39.9652 -12.0601 -12.0601 -12.0179 -12.0179 -11.8831 -11.8831 -11.8831 -11.8831 -11.8395 -11.8395 -11.8395 -11.8395 2.2013 2.2013 5.1878 5.1878 5.2100 5.2100 5.2149 5.2149 5.2150 5.2150 6.3454 6.3454 6.3455 6.3455 6.7383 6.7383 6.7384 6.7384 7.3872 7.3872 9.7536 9.7536 9.7536 9.7536 9.8237 9.8237 9.8237 9.8237 10.0307 10.0307 10.4727 10.4727 10.6523 10.6523 10.6525 10.6525 12.1266 12.1266 12.2699 12.2699 12.5869 12.5869 12.5870 12.5870 12.9060 12.9060 12.9060 12.9060 13.1250 13.1250 15.5961 15.5961 15.5961 15.5961 k = 0.0119-0.0069 0.0097 ( 6519 PWs) bands (ev): -39.9743 -39.9743 -39.9652 -39.9652 -12.0600 -12.0600 -12.0178 -12.0178 -11.8829 -11.8829 -11.8829 -11.8829 -11.8394 -11.8394 -11.8394 -11.8394 2.2031 2.2031 5.1887 5.1887 5.2114 5.2114 5.2156 5.2156 5.2162 5.2162 6.3456 6.3456 6.3466 6.3466 6.7387 6.7387 6.7391 6.7391 7.3879 7.3879 9.7519 9.7519 9.7525 9.7525 9.8222 9.8222 9.8231 9.8231 10.0288 10.0288 10.4714 10.4714 10.6499 10.6499 10.6511 10.6511 12.1226 12.1226 12.2593 12.2593 12.5577 12.5577 12.5806 12.5806 12.9125 12.9125 12.9322 12.9322 13.1296 13.1296 15.5902 15.5902 15.6018 15.6018 k = 0.0238-0.0137 0.0194 ( 6519 PWs) bands (ev): -39.9743 -39.9743 -39.9652 -39.9652 -12.0600 -12.0600 -12.0178 -12.0178 -11.8830 -11.8830 -11.8829 -11.8829 -11.8394 -11.8394 -11.8394 -11.8394 2.2084 2.2084 5.1914 5.1914 5.2156 5.2156 5.2175 5.2175 5.2201 5.2201 6.3461 6.3461 6.3500 6.3500 6.7398 6.7398 6.7415 6.7415 7.3898 7.3898 9.7468 9.7468 9.7493 9.7493 9.8175 9.8175 9.8213 9.8213 10.0231 10.0231 10.4677 10.4677 10.6425 10.6425 10.6474 10.6474 12.1107 12.1107 12.2291 12.2291 12.4878 12.4878 12.5620 12.5620 12.9302 12.9302 12.9929 12.9929 13.1431 13.1431 15.5727 15.5727 15.6187 15.6187 k = 0.0357-0.0206 0.0292 ( 6519 PWs) bands (ev): -39.9742 -39.9742 -39.9652 -39.9652 -12.0599 -12.0599 -12.0179 -12.0179 -11.8829 -11.8829 -11.8829 -11.8829 -11.8394 -11.8394 -11.8394 -11.8394 2.2172 2.2172 5.1955 5.1955 5.2210 5.2210 5.2224 5.2224 5.2265 5.2265 6.3469 6.3469 6.3557 6.3557 6.7417 6.7417 6.7454 6.7454 7.3931 7.3931 9.7383 9.7383 9.7436 9.7436 9.8097 9.8097 9.8183 9.8183 10.0139 10.0139 10.4615 10.4615 10.6302 10.6302 10.6414 10.6414 12.0909 12.0909 12.1828 12.1828 12.3991 12.3991 12.5323 12.5323 12.9550 12.9550 13.0665 13.0665 13.1653 13.1653 15.5444 15.5444 15.6465 15.6465 k = 0.0476-0.0275 0.0389 ( 6523 PWs) bands (ev): -39.9742 -39.9742 -39.9652 -39.9652 -12.0599 -12.0599 -12.0181 -12.0181 -11.8829 -11.8829 -11.8828 -11.8828 -11.8395 -11.8395 -11.8394 -11.8394 2.2295 2.2295 5.2003 5.2003 5.2269 5.2269 5.2320 5.2320 5.2355 5.2355 6.3481 6.3481 6.3637 6.3637 6.7443 6.7443 6.7509 6.7509 7.3977 7.3977 9.7264 9.7264 9.7350 9.7350 9.7989 9.7989 9.8140 9.8140 10.0015 10.0015 10.4529 10.4529 10.6134 10.6134 10.6333 10.6333 12.0628 12.0628 12.1245 12.1245 12.3017 12.3017 12.4929 12.4929 12.9826 12.9826 13.1433 13.1433 13.1953 13.1953 15.5062 15.5062 15.6848 15.6848 k = 0.0595-0.0344 0.0486 ( 6515 PWs) bands (ev): -39.9742 -39.9742 -39.9653 -39.9653 -12.0598 -12.0598 -12.0183 -12.0183 -11.8828 -11.8828 -11.8827 -11.8827 -11.8395 -11.8395 -11.8394 -11.8394 2.2453 2.2453 5.2052 5.2052 5.2357 5.2357 5.2444 5.2444 5.2470 5.2470 6.3495 6.3495 6.3739 6.3739 6.7476 6.7476 6.7579 6.7579 7.4036 7.4036 9.7111 9.7111 9.7223 9.7223 9.7855 9.7855 9.8085 9.8085 9.9864 9.9864 10.4419 10.4419 10.5921 10.5921 10.6235 10.6235 12.0258 12.0258 12.0575 12.0575 12.2000 12.2000 12.4450 12.4450 13.0099 13.0099 13.2197 13.2197 13.2322 13.2322 15.4594 15.4594 15.7331 15.7331 k = 0.0714-0.0412 0.0583 ( 6511 PWs) bands (ev): -39.9741 -39.9741 -39.9653 -39.9653 -12.0596 -12.0596 -12.0185 -12.0185 -11.8827 -11.8827 -11.8825 -11.8825 -11.8397 -11.8397 -11.8394 -11.8394 2.2647 2.2647 5.2098 5.2098 5.2477 5.2477 5.2595 5.2595 5.2611 5.2611 6.3513 6.3513 6.3863 6.3863 6.7516 6.7516 6.7665 6.7665 7.4109 7.4109 9.6923 9.6923 9.7041 9.7041 9.7704 9.7704 9.8016 9.8016 9.9692 9.9692 10.4284 10.4284 10.5669 10.5669 10.6124 10.6124 11.9780 11.9780 11.9844 11.9844 12.0979 12.0979 12.3901 12.3901 13.0354 13.0354 13.2745 13.2745 13.2939 13.2939 15.4054 15.4054 15.7906 15.7906 k = 0.0833-0.0481 0.0680 ( 6511 PWs) bands (ev): -39.9741 -39.9741 -39.9653 -39.9653 -12.0594 -12.0594 -12.0188 -12.0188 -11.8827 -11.8827 -11.8824 -11.8824 -11.8398 -11.8398 -11.8394 -11.8394 2.2874 2.2874 5.2141 5.2141 5.2629 5.2629 5.2772 5.2772 5.2777 5.2777 6.3535 6.3535 6.4010 6.4010 6.7564 6.7564 6.7766 6.7766 7.4196 7.4196 9.6701 9.6701 9.6787 9.6787 9.7546 9.7546 9.7933 9.7933 9.9506 9.9506 10.4127 10.4127 10.5379 10.5379 10.6002 10.6002 11.9069 11.9069 11.9134 11.9134 12.0024 12.0024 12.3290 12.3290 13.0586 13.0586 13.3203 13.3203 13.3651 13.3651 15.3457 15.3457 15.8568 15.8568 k = 0.0952-0.0550 0.0778 ( 6519 PWs) bands (ev): -39.9741 -39.9741 -39.9654 -39.9654 -12.0592 -12.0592 -12.0192 -12.0192 -11.8826 -11.8826 -11.8822 -11.8822 -11.8400 -11.8400 -11.8395 -11.8395 2.3137 2.3137 5.2184 5.2184 5.2810 5.2810 5.2967 5.2967 5.2977 5.2977 6.3560 6.3560 6.4179 6.4179 6.7619 6.7619 6.7882 6.7882 7.4296 7.4296 9.6445 9.6445 9.6449 9.6449 9.7385 9.7385 9.7836 9.7836 9.9314 9.9314 10.3947 10.3947 10.5056 10.5056 10.5873 10.5873 11.8248 11.8248 11.8263 11.8263 11.9217 11.9217 12.2629 12.2629 13.0798 13.0798 13.3681 13.3681 13.4329 13.4329 15.2814 15.2814 15.9310 15.9310 k = 0.1071-0.0619 0.0875 ( 6519 PWs) bands (ev): -39.9740 -39.9740 -39.9654 -39.9654 -12.0590 -12.0590 -12.0196 -12.0196 -11.8824 -11.8824 -11.8820 -11.8820 -11.8402 -11.8402 -11.8395 -11.8395 2.3433 2.3433 5.2227 5.2227 5.3019 5.3019 5.3183 5.3183 5.3208 5.3208 6.3588 6.3588 6.4370 6.4370 6.7681 6.7681 6.8013 6.8013 7.4411 7.4411 9.6023 9.6023 9.6154 9.6154 9.7222 9.7222 9.7722 9.7722 9.9119 9.9119 10.3745 10.3745 10.4703 10.4703 10.5740 10.5740 11.7189 11.7189 11.7435 11.7435 11.8499 11.8499 12.1925 12.1925 13.0990 13.0990 13.4166 13.4166 13.4970 13.4970 15.2140 15.2140 16.0124 16.0124 k = 0.1190-0.0687 0.0972 ( 6527 PWs) bands (ev): -39.9740 -39.9740 -39.9655 -39.9655 -12.0588 -12.0588 -12.0200 -12.0200 -11.8823 -11.8823 -11.8819 -11.8819 -11.8404 -11.8404 -11.8395 -11.8395 2.3764 2.3764 5.2272 5.2272 5.3254 5.3254 5.3423 5.3423 5.3465 5.3465 6.3621 6.3621 6.4583 6.4583 6.7751 6.7751 6.8159 6.8159 7.4541 7.4541 9.5513 9.5513 9.5830 9.5830 9.7051 9.7051 9.7592 9.7592 9.8924 9.8924 10.3523 10.3523 10.4325 10.4325 10.5604 10.5604 11.6054 11.6054 11.6592 11.6592 11.7779 11.7779 12.1186 12.1186 13.1168 13.1168 13.4647 13.4647 13.5571 13.5571 15.1444 15.1444 16.1005 16.1005 k = 0.1310-0.0756 0.1069 ( 6535 PWs) bands (ev): -39.9739 -39.9739 -39.9656 -39.9656 -12.0585 -12.0585 -12.0206 -12.0206 -11.8822 -11.8822 -11.8816 -11.8816 -11.8406 -11.8406 -11.8396 -11.8396 2.4128 2.4128 5.2318 5.2318 5.3514 5.3514 5.3688 5.3688 5.3748 5.3748 6.3657 6.3657 6.4816 6.4816 6.7828 6.7828 6.8319 6.8319 7.4685 7.4685 9.4925 9.4925 9.5473 9.5473 9.6869 9.6869 9.7442 9.7442 9.8733 9.8733 10.3281 10.3281 10.3925 10.3925 10.5467 10.5467 11.4885 11.4885 11.5740 11.5740 11.7022 11.7022 12.0419 12.0419 13.1332 13.1332 13.5119 13.5119 13.6132 13.6132 15.0737 15.0737 16.1947 16.1947 k = 0.1429-0.0825 0.1166 ( 6527 PWs) bands (ev): -39.9738 -39.9738 -39.9656 -39.9656 -12.0582 -12.0582 -12.0210 -12.0210 -11.8820 -11.8820 -11.8814 -11.8814 -11.8407 -11.8407 -11.8397 -11.8397 2.4525 2.4525 5.2365 5.2365 5.3798 5.3798 5.3977 5.3977 5.4056 5.4056 6.3698 6.3698 6.5071 6.5071 6.7912 6.7912 6.8493 6.8493 7.4844 7.4844 9.4265 9.4265 9.5083 9.5083 9.6672 9.6672 9.7271 9.7271 9.8543 9.8543 10.3021 10.3021 10.3506 10.3506 10.5329 10.5329 11.3698 11.3698 11.4883 11.4883 11.6222 11.6222 11.9631 11.9631 13.1484 13.1484 13.5576 13.5576 13.6652 13.6652 15.0027 15.0027 16.2944 16.2944 k = 0.1548-0.0894 0.1264 ( 6535 PWs) bands (ev): -39.9738 -39.9738 -39.9657 -39.9657 -12.0580 -12.0580 -12.0216 -12.0216 -11.8819 -11.8819 -11.8812 -11.8812 -11.8409 -11.8409 -11.8397 -11.8397 2.4955 2.4955 5.2412 5.2412 5.4107 5.4107 5.4289 5.4289 5.4390 5.4390 6.3743 6.3743 6.5345 6.5345 6.8005 6.8005 6.8681 6.8681 7.5019 7.5019 9.3539 9.3539 9.4662 9.4662 9.6459 9.6459 9.7078 9.7078 9.8354 9.8354 10.2743 10.2743 10.3073 10.3073 10.5188 10.5188 11.2502 11.2502 11.4026 11.4026 11.5379 11.5379 11.8828 11.8828 13.1625 13.1625 13.6014 13.6014 13.7130 13.7130 14.9322 14.9322 16.3993 16.3993 k = 0.1667-0.0962 0.1361 ( 6527 PWs) bands (ev): -39.9737 -39.9737 -39.9658 -39.9658 -12.0576 -12.0576 -12.0221 -12.0221 -11.8817 -11.8817 -11.8810 -11.8810 -11.8411 -11.8411 -11.8398 -11.8398 2.5418 2.5418 5.2460 5.2460 5.4438 5.4438 5.4625 5.4625 5.4748 5.4748 6.3793 6.3793 6.5640 6.5640 6.8105 6.8105 6.8883 6.8883 7.5208 7.5208 9.2753 9.2753 9.4212 9.4212 9.6229 9.6229 9.6858 9.6858 9.8165 9.8165 10.2447 10.2447 10.2630 10.2630 10.5042 10.5042 11.1304 11.1304 11.3171 11.3171 11.4495 11.4495 11.8015 11.8015 13.1757 13.1757 13.6433 13.6433 13.7568 13.7568 14.8627 14.8627 16.5088 16.5088 k = 0.1786-0.1031 0.1458 ( 6531 PWs) bands (ev): -39.9736 -39.9736 -39.9659 -39.9659 -12.0573 -12.0573 -12.0227 -12.0227 -11.8816 -11.8816 -11.8808 -11.8808 -11.8412 -11.8412 -11.8398 -11.8398 2.5912 2.5912 5.2507 5.2507 5.4793 5.4793 5.4983 5.4983 5.5130 5.5130 6.3849 6.3849 6.5954 6.5954 6.8213 6.8213 6.9097 6.9097 7.5413 7.5413 9.1915 9.1915 9.3733 9.3733 9.5980 9.5980 9.6609 9.6609 9.7974 9.7974 10.2104 10.2104 10.2214 10.2214 10.4885 10.4885 11.0115 11.0115 11.2320 11.2320 11.3576 11.3576 11.7199 11.7199 13.1881 13.1881 13.6830 13.6830 13.7965 13.7965 14.7948 14.7948 16.6226 16.6226 k = 0.1905-0.1100 0.1555 ( 6523 PWs) bands (ev): -39.9735 -39.9735 -39.9660 -39.9660 -12.0569 -12.0569 -12.0233 -12.0233 -11.8814 -11.8814 -11.8805 -11.8805 -11.8414 -11.8414 -11.8399 -11.8399 2.6438 2.6438 5.2553 5.2553 5.5169 5.5169 5.5363 5.5363 5.5535 5.5535 6.3910 6.3910 6.6286 6.6286 6.8331 6.8331 6.9324 6.9324 7.5633 7.5633 9.1030 9.1030 9.3229 9.3229 9.5713 9.5713 9.6328 9.6328 9.7779 9.7779 10.1661 10.1661 10.1878 10.1878 10.4704 10.4704 10.8948 10.8948 11.1476 11.1476 11.2628 11.2628 11.6385 11.6385 13.1996 13.1996 13.7205 13.7205 13.8321 13.8321 14.7290 14.7290 16.7403 16.7403 k = 0.2024-0.1168 0.1652 ( 6515 PWs) bands (ev): -39.9734 -39.9734 -39.9661 -39.9661 -12.0566 -12.0566 -12.0239 -12.0239 -11.8812 -11.8812 -11.8802 -11.8802 -11.8416 -11.8416 -11.8399 -11.8399 2.6995 2.6995 5.2596 5.2596 5.5566 5.5566 5.5764 5.5764 5.5962 5.5962 6.3980 6.3980 6.6635 6.6635 6.8458 6.8458 6.9564 6.9564 7.5868 7.5868 9.0103 9.0103 9.2702 9.2702 9.5427 9.5427 9.6012 9.6012 9.7579 9.7579 10.1184 10.1184 10.1562 10.1562 10.4473 10.4473 10.7833 10.7833 11.0640 11.0640 11.1657 11.1657 11.5579 11.5579 13.2105 13.2105 13.7558 13.7558 13.8636 13.8636 14.6655 14.6655 16.8617 16.8617 k = 0.2143-0.1237 0.1750 ( 6514 PWs) bands (ev): -39.9733 -39.9733 -39.9662 -39.9662 -12.0562 -12.0562 -12.0246 -12.0246 -11.8810 -11.8810 -11.8800 -11.8800 -11.8417 -11.8417 -11.8399 -11.8399 2.7581 2.7581 5.2635 5.2635 5.5984 5.5984 5.6185 5.6185 5.6410 5.6410 6.4057 6.4057 6.6999 6.6999 6.8596 6.8596 6.9814 6.9814 7.6119 7.6119 8.9142 8.9142 9.2153 9.2153 9.5122 9.5122 9.5658 9.5658 9.7371 9.7371 10.0693 10.0693 10.1250 10.1250 10.4139 10.4139 10.6826 10.6826 10.9813 10.9813 11.0671 11.0671 11.4786 11.4786 13.2207 13.2207 13.7890 13.7890 13.8909 13.8909 14.6048 14.6048 16.9865 16.9865 k = 0.2262-0.1306 0.1847 ( 6498 PWs) bands (ev): -39.9731 -39.9731 -39.9663 -39.9663 -12.0557 -12.0557 -12.0252 -12.0252 -11.8808 -11.8808 -11.8797 -11.8797 -11.8419 -11.8419 -11.8399 -11.8399 2.8198 2.8198 5.2670 5.2670 5.6422 5.6422 5.6626 5.6626 5.6879 5.6879 6.4144 6.4144 6.7376 6.7376 6.8746 6.8746 7.0075 7.0075 7.6383 7.6383 8.8150 8.8150 9.1587 9.1587 9.4798 9.4798 9.5262 9.5262 9.7152 9.7152 10.0192 10.0192 10.0942 10.0942 10.3604 10.3604 10.6024 10.6024 10.8996 10.8996 10.9679 10.9679 11.4011 11.4011 13.2304 13.2304 13.8201 13.8201 13.9141 13.9141 14.5472 14.5472 17.1145 17.1145 k = 0.2381-0.1375 0.1944 ( 6486 PWs) bands (ev): -39.9730 -39.9730 -39.9664 -39.9664 -12.0553 -12.0553 -12.0259 -12.0259 -11.8806 -11.8806 -11.8795 -11.8795 -11.8420 -11.8420 -11.8400 -11.8400 2.8842 2.8842 5.2698 5.2698 5.6878 5.6878 5.7083 5.7083 5.7367 5.7367 6.4243 6.4243 6.7763 6.7763 6.8913 6.8913 7.0346 7.0346 7.6662 7.6662 8.7133 8.7133 9.1006 9.1006 9.4455 9.4455 9.4824 9.4824 9.6919 9.6919 9.9681 9.9681 10.0639 10.0639 10.2807 10.2807 10.5491 10.5491 10.8189 10.8189 10.8690 10.8690 11.3259 11.3259 13.2396 13.2396 13.8491 13.8491 13.9329 13.9329 14.4931 14.4931 17.2453 17.2453 k = 0.2500-0.1443 0.2041 ( 6486 PWs) bands (ev): -39.9729 -39.9729 -39.9665 -39.9665 -12.0548 -12.0548 -12.0266 -12.0266 -11.8804 -11.8804 -11.8793 -11.8793 -11.8421 -11.8421 -11.8400 -11.8400 2.9514 2.9514 5.2719 5.2719 5.7352 5.7352 5.7557 5.7557 5.7872 5.7872 6.4356 6.4356 6.8153 6.8153 6.9100 6.9100 7.0627 7.0627 7.6955 7.6955 8.6098 8.6098 9.0412 9.0412 9.4093 9.4093 9.4343 9.4343 9.6668 9.6668 9.9159 9.9159 10.0343 10.0343 10.1813 10.1813 10.5163 10.5163 10.7393 10.7393 10.7717 10.7717 11.2535 11.2535 13.2485 13.2485 13.8762 13.8762 13.9471 13.9471 14.4431 14.4431 17.3790 17.3790 k = 0.2619-0.1512 0.2138 ( 6486 PWs) bands (ev): -39.9728 -39.9728 -39.9666 -39.9666 -12.0544 -12.0544 -12.0273 -12.0273 -11.8803 -11.8803 -11.8791 -11.8791 -11.8423 -11.8423 -11.8401 -11.8401 3.0213 3.0213 5.2731 5.2731 5.7842 5.7842 5.8043 5.8043 5.8393 5.8393 6.4486 6.4486 6.8535 6.8535 6.9318 6.9318 7.0915 7.0915 7.7261 7.7261 8.5050 8.5050 8.9810 8.9810 9.3710 9.3710 9.3819 9.3819 9.6396 9.6396 9.8628 9.8628 10.0054 10.0054 10.0719 10.0719 10.4940 10.4940 10.6609 10.6609 10.6774 10.6774 11.1842 11.1842 13.2571 13.2571 13.9015 13.9015 13.9563 13.9563 14.3975 14.3975 17.5151 17.5151 k = 0.2738-0.1581 0.2236 ( 6514 PWs) bands (ev): -39.9727 -39.9727 -39.9668 -39.9668 -12.0540 -12.0540 -12.0281 -12.0281 -11.8802 -11.8802 -11.8789 -11.8789 -11.8425 -11.8425 -11.8402 -11.8402 3.0938 3.0938 5.2732 5.2732 5.8347 5.8347 5.8538 5.8538 5.8929 5.8929 6.4638 6.4638 6.8892 6.8892 6.9582 6.9582 7.1211 7.1211 7.7578 7.7578 8.3995 8.3995 8.9202 8.9202 9.3254 9.3254 9.3305 9.3305 9.6096 9.6096 9.8085 9.8085 9.9585 9.9585 9.9771 9.9771 10.4746 10.4746 10.5838 10.5838 10.5894 10.5894 11.1185 11.1185 13.2655 13.2655 13.9250 13.9250 13.9600 13.9600 14.3571 14.3571 17.6536 17.6536 k = 0.2857-0.1650 0.2333 ( 6514 PWs) bands (ev): -39.9725 -39.9725 -39.9669 -39.9669 -12.0535 -12.0535 -12.0289 -12.0289 -11.8800 -11.8800 -11.8787 -11.8787 -11.8426 -11.8426 -11.8403 -11.8403 3.1687 3.1687 5.2719 5.2719 5.8866 5.8866 5.9037 5.9037 5.9479 5.9479 6.4814 6.4814 6.9207 6.9207 6.9906 6.9906 7.1513 7.1513 7.7905 7.7905 8.2941 8.2941 8.8592 8.8592 9.2651 9.2651 9.2874 9.2874 9.5764 9.5764 9.7532 9.7532 9.8443 9.8443 9.9492 9.9492 10.4461 10.4461 10.5082 10.5082 10.5183 10.5183 11.0564 11.0564 13.2738 13.2738 13.9469 13.9469 13.9579 13.9579 14.3223 14.3223 17.7944 17.7944 k = 0.2976-0.1718 0.2430 ( 6514 PWs) bands (ev): -39.9724 -39.9724 -39.9670 -39.9670 -12.0530 -12.0530 -12.0297 -12.0297 -11.8799 -11.8799 -11.8786 -11.8786 -11.8426 -11.8426 -11.8404 -11.8404 3.2460 3.2460 5.2690 5.2690 5.9397 5.9397 5.9536 5.9536 6.0040 6.0040 6.5023 6.5023 6.9483 6.9483 7.0285 7.0285 7.1819 7.1819 7.8238 7.8238 8.1898 8.1898 8.7983 8.7983 9.2013 9.2013 9.2413 9.2413 9.5388 9.5388 9.6968 9.6968 9.7316 9.7316 9.9214 9.9214 10.3886 10.3886 10.4346 10.4346 10.4838 10.4838 10.9983 10.9983 13.2822 13.2822 13.9497 13.9497 13.9674 13.9674 14.2935 14.2935 17.9372 17.9372 k = 0.3095-0.1787 0.2527 ( 6522 PWs) bands (ev): -39.9723 -39.9723 -39.9672 -39.9672 -12.0525 -12.0525 -12.0304 -12.0304 -11.8798 -11.8798 -11.8784 -11.8784 -11.8427 -11.8427 -11.8405 -11.8405 3.3254 3.3254 5.2644 5.2644 5.9937 5.9937 6.0025 6.0025 6.0612 6.0612 6.5269 6.5269 6.9735 6.9735 7.0698 7.0698 7.2129 7.2129 7.8568 7.8568 8.0884 8.0884 8.7378 8.7378 9.1346 9.1346 9.1916 9.1916 9.4944 9.4944 9.6241 9.6241 9.6392 9.6392 9.8932 9.8932 10.3187 10.3187 10.3635 10.3635 10.4697 10.4697 10.9441 10.9441 13.2906 13.2906 13.9355 13.9355 13.9864 13.9864 14.2708 14.2708 18.0819 18.0819 k = 0.3214-0.1856 0.2624 ( 6526 PWs) bands (ev): -39.9721 -39.9721 -39.9673 -39.9673 -12.0519 -12.0519 -12.0313 -12.0313 -11.8796 -11.8796 -11.8783 -11.8783 -11.8428 -11.8428 -11.8406 -11.8406 3.4068 3.4068 5.2576 5.2576 6.0484 6.0484 6.0497 6.0497 6.1194 6.1194 6.5561 6.5561 6.9979 6.9979 7.1122 7.1122 7.2440 7.2440 7.8838 7.8838 7.9965 7.9965 8.6781 8.6781 9.0654 9.0654 9.1375 9.1375 9.4359 9.4359 9.5301 9.5301 9.5805 9.5805 9.8638 9.8638 10.2517 10.2517 10.2956 10.2956 10.4614 10.4614 10.8937 10.8937 13.2993 13.2993 13.9160 13.9160 14.0041 14.0041 14.2535 14.2535 18.2284 18.2284 k = 0.3333-0.1925 0.2722 ( 6534 PWs) bands (ev): -39.9720 -39.9720 -39.9674 -39.9674 -12.0514 -12.0514 -12.0321 -12.0321 -11.8795 -11.8795 -11.8782 -11.8782 -11.8429 -11.8429 -11.8407 -11.8407 3.4901 3.4901 5.2485 5.2485 6.0944 6.0944 6.1036 6.1036 6.1786 6.1786 6.5904 6.5904 7.0222 7.0222 7.1538 7.1538 7.2750 7.2750 7.8615 7.8615 7.9589 7.9589 8.6195 8.6195 8.9941 8.9941 9.0781 9.0781 9.3540 9.3540 9.4609 9.4609 9.5205 9.5205 9.8326 9.8326 10.1911 10.1911 10.2319 10.2319 10.4555 10.4555 10.8472 10.8472 13.3083 13.3083 13.8923 13.8923 14.0206 14.0206 14.2407 14.2407 18.3766 18.3766 k = 0.3452-0.1993 0.2819 ( 6534 PWs) bands (ev): -39.9718 -39.9718 -39.9676 -39.9676 -12.0508 -12.0508 -12.0329 -12.0329 -11.8793 -11.8793 -11.8781 -11.8781 -11.8429 -11.8429 -11.8407 -11.8407 3.5750 3.5750 5.2366 5.2366 6.1360 6.1360 6.1588 6.1588 6.2385 6.2385 6.6304 6.6304 7.0468 7.0468 7.1922 7.1922 7.3058 7.3058 7.7832 7.7832 7.9845 7.9845 8.5625 8.5625 8.9215 8.9215 9.0123 9.0123 9.2583 9.2583 9.4088 9.4088 9.4594 9.4594 9.7987 9.7987 10.1378 10.1378 10.1735 10.1735 10.4512 10.4512 10.8044 10.8044 13.3177 13.3177 13.8654 13.8654 14.0361 14.0361 14.2313 14.2313 18.5263 18.5263 k = 0.3571-0.2062 0.2916 ( 6542 PWs) bands (ev): -39.9717 -39.9717 -39.9678 -39.9678 -12.0503 -12.0503 -12.0336 -12.0336 -11.8792 -11.8792 -11.8780 -11.8780 -11.8429 -11.8429 -11.8408 -11.8408 3.6614 3.6614 5.2217 5.2217 6.1741 6.1741 6.2136 6.2136 6.2988 6.2988 6.6764 6.6764 7.0717 7.0717 7.2238 7.2238 7.3360 7.3360 7.7058 7.7058 8.0201 8.0201 8.5076 8.5076 8.8480 8.8480 8.9393 8.9393 9.1612 9.1612 9.3637 9.3637 9.3972 9.3972 9.7614 9.7614 10.0917 10.0917 10.1213 10.1213 10.4481 10.4481 10.7650 10.7650 13.3276 13.3276 13.8366 13.8366 14.0505 14.0505 14.2242 14.2242 18.6773 18.6773 k = 0.3690-0.2131 0.3013 ( 6542 PWs) bands (ev): -39.9715 -39.9715 -39.9679 -39.9679 -12.0498 -12.0498 -12.0344 -12.0344 -11.8791 -11.8791 -11.8779 -11.8779 -11.8429 -11.8429 -11.8409 -11.8409 3.7489 3.7489 5.2033 5.2033 6.2088 6.2088 6.2675 6.2675 6.3594 6.3594 6.7282 6.7282 7.0965 7.0965 7.2426 7.2426 7.3654 7.3654 7.6435 7.6435 8.0579 8.0579 8.4551 8.4551 8.7742 8.7742 8.8592 8.8592 9.0673 9.0673 9.3230 9.3230 9.3340 9.3340 9.7203 9.7203 10.0524 10.0524 10.0759 10.0759 10.4461 10.4461 10.7288 10.7288 13.3381 13.3381 13.8067 13.8067 14.0639 14.0639 14.2187 14.2187 18.8296 18.8296 k = 0.3810-0.2199 0.3110 ( 6558 PWs) bands (ev): -39.9714 -39.9714 -39.9681 -39.9681 -12.0492 -12.0492 -12.0352 -12.0352 -11.8790 -11.8790 -11.8779 -11.8779 -11.8429 -11.8429 -11.8410 -11.8410 3.8374 3.8374 5.1811 5.1811 6.2403 6.2403 6.3199 6.3199 6.4196 6.4196 6.7853 6.7853 7.1202 7.1202 7.2418 7.2418 7.3937 7.3937 7.6054 7.6054 8.0964 8.0964 8.4057 8.4057 8.7006 8.7006 8.7730 8.7730 8.9777 8.9777 9.2699 9.2699 9.2867 9.2867 9.6755 9.6755 10.0193 10.0193 10.0375 10.0375 10.4451 10.4451 10.6958 10.6958 13.3492 13.3492 13.7763 13.7763 14.0765 14.0765 14.2141 14.2141 18.9830 18.9830 k = 0.3929-0.2268 0.3208 ( 6550 PWs) bands (ev): -39.9712 -39.9712 -39.9682 -39.9682 -12.0486 -12.0486 -12.0360 -12.0360 -11.8789 -11.8789 -11.8779 -11.8779 -11.8428 -11.8428 -11.8411 -11.8411 3.9265 3.9265 5.1547 5.1547 6.2693 6.2693 6.3698 6.3698 6.4790 6.4790 6.8472 6.8472 7.1384 7.1384 7.2227 7.2227 7.4204 7.4204 7.5954 7.5954 8.1351 8.1351 8.3600 8.3600 8.6280 8.6280 8.6827 8.6827 8.8928 8.8928 9.2051 9.2051 9.2552 9.2552 9.6278 9.6278 9.9916 9.9916 10.0057 10.0057 10.4451 10.4451 10.6656 10.6656 13.3611 13.3611 13.7460 13.7460 14.0883 14.0883 14.2099 14.2099 19.1373 19.1373 k = 0.4048-0.2337 0.3305 ( 6542 PWs) bands (ev): -39.9711 -39.9711 -39.9684 -39.9684 -12.0479 -12.0479 -12.0367 -12.0367 -11.8787 -11.8787 -11.8778 -11.8778 -11.8428 -11.8428 -11.8412 -11.8412 4.0159 4.0159 5.1238 5.1238 6.2964 6.2964 6.4164 6.4164 6.5370 6.5370 6.9128 6.9128 7.1317 7.1317 7.2106 7.2106 7.4453 7.4453 7.6073 7.6073 8.1732 8.1732 8.3188 8.3188 8.5569 8.5569 8.5909 8.5909 8.8125 8.8125 9.1397 9.1397 9.2289 9.2289 9.5782 9.5782 9.9686 9.9686 9.9797 9.9797 10.4461 10.4461 10.6380 10.6380 13.3737 13.3737 13.7161 13.7161 14.0994 14.0994 14.2060 14.2060 19.2923 19.2923 k = 0.4167-0.2406 0.3402 ( 6542 PWs) bands (ev): -39.9709 -39.9709 -39.9685 -39.9685 -12.0473 -12.0473 -12.0375 -12.0375 -11.8786 -11.8786 -11.8778 -11.8778 -11.8427 -11.8427 -11.8413 -11.8413 4.1053 4.1053 5.0879 5.0879 6.3222 6.3222 6.4581 6.4581 6.5928 6.5928 6.9812 6.9812 7.0911 7.0911 7.2248 7.2248 7.4681 7.4681 7.6310 7.6310 8.2093 8.2093 8.2827 8.2827 8.4881 8.4881 8.5006 8.5006 8.7376 8.7376 9.0742 9.0742 9.2082 9.2082 9.5280 9.5280 9.9496 9.9496 9.9586 9.9586 10.4482 10.4482 10.6130 10.6130 13.3872 13.3872 13.6869 13.6869 14.1098 14.1098 14.2020 14.2020 19.4478 19.4478 k = 0.4286-0.2474 0.3499 ( 6554 PWs) bands (ev): -39.9707 -39.9707 -39.9687 -39.9687 -12.0467 -12.0467 -12.0383 -12.0383 -11.8786 -11.8786 -11.8778 -11.8778 -11.8427 -11.8427 -11.8414 -11.8414 4.1942 4.1942 5.0469 5.0469 6.3474 6.3474 6.4934 6.4934 6.6456 6.6456 7.0412 7.0412 7.0510 7.0510 7.2478 7.2478 7.4888 7.4888 7.6588 7.6588 8.2400 8.2400 8.2526 8.2526 8.4162 8.4162 8.4223 8.4223 8.6698 8.6698 9.0088 9.0088 9.1936 9.1936 9.4784 9.4784 9.9342 9.9342 9.9415 9.9415 10.4512 10.4512 10.5902 10.5902 13.4016 13.4016 13.6585 13.6585 14.1195 14.1195 14.1979 14.1979 19.6035 19.6035 k = 0.4405-0.2543 0.3596 ( 6546 PWs) bands (ev): -39.9706 -39.9706 -39.9689 -39.9689 -12.0461 -12.0461 -12.0390 -12.0390 -11.8784 -11.8784 -11.8778 -11.8778 -11.8426 -11.8426 -11.8415 -11.8415 4.2821 4.2821 5.0006 5.0006 6.3724 6.3724 6.5203 6.5203 6.6945 6.6945 6.9936 6.9936 7.1205 7.1205 7.2722 7.2722 7.5077 7.5077 7.6852 7.6852 8.2292 8.2292 8.2526 8.2526 8.3508 8.3508 8.3608 8.3608 8.6126 8.6126 8.9440 8.9440 9.1851 9.1851 9.4302 9.4302 9.9219 9.9219 9.9278 9.9278 10.4554 10.4554 10.5696 10.5696 13.4170 13.4170 13.6310 13.6310 14.1287 14.1287 14.1936 14.1936 19.7592 19.7592 k = 0.4524-0.2612 0.3694 ( 6522 PWs) bands (ev): -39.9704 -39.9704 -39.9690 -39.9690 -12.0453 -12.0453 -12.0397 -12.0397 -11.8783 -11.8783 -11.8778 -11.8778 -11.8424 -11.8424 -11.8416 -11.8416 4.3687 4.3687 4.9489 4.9489 6.3977 6.3977 6.5368 6.5368 6.7385 6.7385 6.9529 6.9529 7.1872 7.1872 7.2955 7.2955 7.5260 7.5260 7.7054 7.7054 8.2125 8.2125 8.2203 8.2203 8.3050 8.3050 8.3295 8.3295 8.5728 8.5728 8.8803 8.8803 9.1832 9.1832 9.3845 9.3845 9.9123 9.9123 9.9171 9.9171 10.4607 10.4607 10.5510 10.5510 13.4334 13.4334 13.6046 13.6046 14.1372 14.1372 14.1889 14.1889 19.9144 19.9144 k = 0.4643-0.2681 0.3791 ( 6526 PWs) bands (ev): -39.9702 -39.9702 -39.9692 -39.9692 -12.0447 -12.0447 -12.0405 -12.0405 -11.8782 -11.8782 -11.8778 -11.8778 -11.8423 -11.8423 -11.8417 -11.8417 4.4534 4.4534 4.8918 4.8918 6.4233 6.4233 6.5418 6.5418 6.7769 6.7769 6.9208 6.9208 7.2473 7.2473 7.3163 7.3163 7.5460 7.5460 7.7141 7.7141 8.1710 8.1710 8.1998 8.1998 8.2594 8.2594 8.3227 8.3227 8.5588 8.5588 8.8182 8.8182 9.1878 9.1878 9.3419 9.3419 9.9053 9.9053 9.9089 9.9089 10.4671 10.4671 10.5343 10.5343 13.4509 13.4509 13.5792 13.5792 14.1453 14.1453 14.1839 14.1839 20.0684 20.0684 k = 0.4762-0.2749 0.3888 ( 6518 PWs) bands (ev): -39.9700 -39.9700 -39.9694 -39.9694 -12.0440 -12.0440 -12.0412 -12.0412 -11.8781 -11.8781 -11.8778 -11.8778 -11.8422 -11.8422 -11.8418 -11.8418 4.5357 4.5357 4.8295 4.8295 6.4492 6.4492 6.5356 6.5356 6.8093 6.8093 6.8963 6.8963 7.2957 7.2957 7.3328 7.3328 7.5715 7.5715 7.7065 7.7065 8.1357 8.1357 8.1804 8.1804 8.2363 8.2363 8.3047 8.3047 8.5723 8.5723 8.7585 8.7585 9.1989 9.1989 9.3032 9.3032 9.9006 9.9006 9.9030 9.9030 10.4748 10.4748 10.5193 10.5193 13.4695 13.4695 13.5550 13.5550 14.1529 14.1529 14.1786 14.1786 20.2202 20.2202 k = 0.4881-0.2818 0.3985 ( 6526 PWs) bands (ev): -39.9699 -39.9699 -39.9695 -39.9695 -12.0433 -12.0433 -12.0419 -12.0419 -11.8780 -11.8780 -11.8779 -11.8779 -11.8421 -11.8421 -11.8419 -11.8419 4.6149 4.6149 4.7623 4.7623 6.4749 6.4749 6.5204 6.5204 6.8357 6.8357 6.8764 6.8764 7.3276 7.3276 7.3425 7.3425 7.6050 7.6050 7.6813 7.6813 8.1225 8.1225 8.1523 8.1523 8.2394 8.2394 8.2798 8.2798 8.6055 8.6055 8.7021 8.7021 9.2164 9.2164 9.2690 9.2690 9.8980 9.8980 9.8993 9.8993 10.4838 10.4838 10.5060 10.5060 13.4891 13.4891 13.5319 13.5319 14.1600 14.1600 14.1728 14.1728 20.3678 20.3678 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0426 -12.0426 -12.0426 -12.0426 -11.8780 -11.8780 -11.8780 -11.8780 -11.8420 -11.8420 -11.8420 -11.8420 4.6906 4.6906 4.6907 4.6907 6.4992 6.4992 6.4994 6.4994 6.8573 6.8573 6.8575 6.8575 7.3421 7.3421 7.3422 7.3422 7.6442 7.6442 7.6443 7.6443 8.1300 8.1300 8.1302 8.1302 8.2561 8.2561 8.2562 8.2562 8.6502 8.6502 8.6504 8.6504 9.2398 9.2398 9.2400 9.2400 9.8975 9.8975 9.8977 9.8977 10.4941 10.4941 10.4942 10.4942 13.5099 13.5099 13.5099 13.5099 14.1665 14.1665 14.1667 14.1667 20.5035 20.5035 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0426 -12.0426 -12.0426 -12.0426 -11.8780 -11.8780 -11.8780 -11.8780 -11.8420 -11.8420 -11.8420 -11.8420 4.6906 4.6906 4.6907 4.6907 6.4992 6.4992 6.4994 6.4994 6.8573 6.8573 6.8575 6.8575 7.3421 7.3421 7.3422 7.3422 7.6442 7.6442 7.6443 7.6443 8.1300 8.1300 8.1302 8.1302 8.2561 8.2561 8.2562 8.2562 8.6502 8.6502 8.6504 8.6504 9.2398 9.2398 9.2400 9.2400 9.8975 9.8975 9.8977 9.8977 10.4941 10.4941 10.4942 10.4942 13.5099 13.5099 13.5099 13.5099 14.1665 14.1665 14.1667 14.1667 20.5035 20.5035 k = 0.5000-0.2749 0.4180 ( 6526 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0428 -12.0428 -12.0425 -12.0425 -11.8787 -11.8787 -11.8772 -11.8772 -11.8426 -11.8426 -11.8414 -11.8414 4.6909 4.6909 4.6918 4.6918 6.4873 6.4873 6.5098 6.5098 6.8406 6.8406 6.8737 6.8737 7.3320 7.3320 7.3511 7.3511 7.6184 7.6184 7.6693 7.6693 8.0966 8.0966 8.1494 8.1494 8.2340 8.2340 8.2927 8.2927 8.6368 8.6368 8.6655 8.6655 9.2371 9.2371 9.2457 9.2457 9.8977 9.8977 9.8985 9.8985 10.4910 10.4910 10.4978 10.4978 13.4711 13.4711 13.5086 13.5086 14.1736 14.1736 14.2034 14.2034 20.3928 20.3928 k = 0.5000-0.2612 0.4277 ( 6520 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0429 -12.0429 -12.0423 -12.0423 -11.8794 -11.8794 -11.8764 -11.8764 -11.8432 -11.8432 -11.8408 -11.8408 4.6924 4.6924 4.6942 4.6942 6.4741 6.4741 6.5184 6.5184 6.8237 6.8237 6.8894 6.8894 7.3203 7.3203 7.3591 7.3591 7.5931 7.5931 7.6922 7.6922 8.0552 8.0552 8.1564 8.1564 8.2217 8.2217 8.3410 8.3410 8.6256 8.6256 8.6820 8.6820 9.2367 9.2367 9.2549 9.2549 9.8987 9.8987 9.9005 9.9005 10.4883 10.4883 10.5020 10.5020 13.4028 13.4028 13.4687 13.4687 14.2230 14.2230 14.2734 14.2734 20.2642 20.2642 k = 0.5000-0.2474 0.4374 ( 6524 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0430 -12.0430 -12.0422 -12.0422 -11.8801 -11.8801 -11.8756 -11.8756 -11.8439 -11.8439 -11.8403 -11.8403 4.6952 4.6952 4.6979 4.6979 6.4599 6.4599 6.5249 6.5249 6.8069 6.8069 6.9043 6.9043 7.3069 7.3069 7.3660 7.3660 7.5694 7.5694 7.7109 7.7109 8.0136 8.0136 8.1558 8.1558 8.2135 8.2135 8.3949 8.3949 8.6173 8.6173 8.6990 8.6990 9.2385 9.2385 9.2678 9.2678 9.9007 9.9007 9.9035 9.9035 10.4861 10.4861 10.5068 10.5068 13.3170 13.3170 13.4022 13.4022 14.3025 14.3025 14.3645 14.3645 20.1248 20.1248 k = 0.5000-0.2337 0.4471 ( 6530 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0432 -12.0432 -12.0421 -12.0421 -11.8808 -11.8808 -11.8748 -11.8748 -11.8446 -11.8446 -11.8397 -11.8397 4.6992 4.6992 4.7028 4.7028 6.4448 6.4448 6.5284 6.5284 6.7910 6.7910 6.9185 6.9185 7.2917 7.2917 7.3717 7.3717 7.5482 7.5482 7.7232 7.7232 7.9771 7.9771 8.1509 8.1509 8.2065 8.2065 8.4498 8.4498 8.6129 8.6129 8.7158 8.7158 9.2419 9.2419 9.2848 9.2848 9.9035 9.9035 9.9077 9.9077 10.4845 10.4845 10.5125 10.5125 13.2219 13.2219 13.3209 13.3209 14.4009 14.4009 14.4686 14.4686 19.9764 19.9764 k = 0.5000-0.2199 0.4568 ( 6538 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0434 -12.0434 -12.0420 -12.0420 -11.8815 -11.8815 -11.8740 -11.8740 -11.8453 -11.8453 -11.8393 -11.8393 4.7044 4.7044 4.7090 4.7090 6.4289 6.4289 6.5286 6.5286 6.7765 6.7765 6.9319 6.9319 7.2746 7.2746 7.3758 7.3758 7.5301 7.5301 7.7267 7.7267 7.9501 7.9501 8.1433 8.1433 8.1996 8.1996 8.5007 8.5007 8.6153 8.6153 8.7319 8.7319 9.2467 9.2467 9.3059 9.3059 9.9071 9.9071 9.9132 9.9132 10.4837 10.4837 10.5191 10.5191 13.1219 13.1219 13.2319 13.2319 14.5108 14.5108 14.5812 14.5812 19.8204 19.8204 k = 0.5000-0.2062 0.4666 ( 6542 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0435 -12.0435 -12.0418 -12.0418 -11.8821 -11.8821 -11.8731 -11.8731 -11.8461 -11.8461 -11.8388 -11.8388 4.7106 4.7106 4.7162 4.7162 6.4124 6.4124 6.5246 6.5246 6.7643 6.7643 6.9445 6.9445 7.2559 7.2559 7.3777 7.3777 7.5153 7.5153 7.7206 7.7206 7.9344 7.9344 8.1339 8.1339 8.1924 8.1924 8.5389 8.5389 8.6318 8.6318 8.7467 8.7467 9.2524 9.2524 9.3310 9.3310 9.9116 9.9116 9.9198 9.9198 10.4839 10.4839 10.5270 10.5270 13.0196 13.0196 13.1393 13.1393 14.6283 14.6283 14.6999 14.6999 19.6583 19.6583 k = 0.5000-0.1925 0.4763 ( 6550 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0437 -12.0437 -12.0417 -12.0417 -11.8827 -11.8827 -11.8723 -11.8723 -11.8468 -11.8468 -11.8384 -11.8384 4.7177 4.7177 4.7245 4.7245 6.3955 6.3955 6.5161 6.5161 6.7548 6.7548 6.9564 6.9564 7.2361 7.2361 7.3766 7.3766 7.5037 7.5037 7.7076 7.7076 7.9288 7.9288 8.1232 8.1232 8.1849 8.1849 8.5575 8.5575 8.6683 8.6683 8.7598 8.7598 9.2586 9.2586 9.3597 9.3597 9.9169 9.9169 9.9276 9.9276 10.4855 10.4855 10.5363 10.5363 12.9164 12.9164 13.0454 13.0454 14.7512 14.7512 14.8232 14.8232 19.4913 19.4913 k = 0.5000-0.1787 0.4860 ( 6548 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0438 -12.0438 -12.0416 -12.0416 -11.8832 -11.8832 -11.8714 -11.8714 -11.8475 -11.8475 -11.8379 -11.8379 4.7256 4.7256 4.7336 4.7336 6.3782 6.3782 6.5031 6.5031 6.7485 6.7485 6.9676 6.9676 7.2158 7.2158 7.3716 7.3716 7.4949 7.4949 7.6924 7.6924 7.9293 7.9293 8.1118 8.1118 8.1773 8.1773 8.5645 8.5645 8.7158 8.7158 8.7709 8.7709 9.2651 9.2651 9.3915 9.3915 9.9228 9.9228 9.9366 9.9366 10.4889 10.4889 10.5474 10.5474 12.8134 12.8134 12.9517 12.9517 14.8781 14.8781 14.9502 14.9502 19.3208 19.3208 k = 0.5000-0.1650 0.4957 ( 6556 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0439 -12.0439 -12.0415 -12.0415 -11.8837 -11.8837 -11.8705 -11.8705 -11.8483 -11.8483 -11.8376 -11.8376 4.7342 4.7342 4.7435 4.7435 6.3607 6.3607 6.4859 6.4859 6.7450 6.7450 6.9784 6.9784 7.1956 7.1956 7.3619 7.3619 7.4885 7.4885 7.6794 7.6794 7.9324 7.9324 8.1001 8.1001 8.1697 8.1697 8.5675 8.5675 8.7658 8.7658 8.7802 8.7802 9.2715 9.2715 9.4253 9.4253 9.9294 9.9294 9.9464 9.9464 10.4946 10.4946 10.5604 10.5604 12.7113 12.7113 12.8592 12.8592 15.0083 15.0083 15.0802 15.0802 19.1480 19.1480 k = 0.5000-0.1512 0.5055 ( 6566 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0441 -12.0441 -12.0415 -12.0415 -11.8842 -11.8842 -11.8697 -11.8697 -11.8491 -11.8491 -11.8372 -11.8372 4.7433 4.7433 4.7539 4.7539 6.3431 6.3431 6.4654 6.4654 6.7440 6.7440 6.9887 6.9887 7.1761 7.1761 7.3475 7.3475 7.4840 7.4840 7.6713 7.6713 7.9356 7.9356 8.0883 8.0883 8.1625 8.1625 8.5695 8.5695 8.7876 8.7876 8.8149 8.8149 9.2775 9.2775 9.4604 9.4604 9.9364 9.9364 9.9569 9.9569 10.5031 10.5031 10.5755 10.5755 12.6107 12.6107 12.7686 12.7686 15.1411 15.1411 15.2129 15.2129 18.9740 18.9740 k = 0.5000-0.1375 0.5152 ( 6566 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0442 -12.0442 -12.0414 -12.0414 -11.8847 -11.8847 -11.8688 -11.8688 -11.8499 -11.8499 -11.8369 -11.8369 4.7526 4.7526 4.7647 4.7647 6.3258 6.3258 6.4427 6.4427 6.7449 6.7449 6.9987 6.9987 7.1577 7.1577 7.3289 7.3289 7.4811 7.4811 7.6689 7.6689 7.9374 7.9374 8.0767 8.0767 8.1559 8.1559 8.5712 8.5712 8.7934 8.7934 8.8616 8.8616 9.2828 9.2828 9.4955 9.4955 9.9437 9.9437 9.9677 9.9677 10.5149 10.5149 10.5929 10.5929 12.5122 12.5122 12.6806 12.6806 15.2760 15.2760 15.3477 15.3477 18.7998 18.7998 k = 0.5000-0.1237 0.5249 ( 6568 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0443 -12.0443 -12.0413 -12.0413 -11.8851 -11.8851 -11.8679 -11.8679 -11.8507 -11.8507 -11.8366 -11.8366 4.7620 4.7620 4.7756 4.7756 6.3089 6.3089 6.4188 6.4188 6.7470 6.7470 7.0085 7.0085 7.1406 7.1406 7.3072 7.3072 7.4793 7.4793 7.6717 7.6717 7.9368 7.9368 8.0655 8.0655 8.1503 8.1503 8.5728 8.5728 8.7978 8.7978 8.9052 8.9052 9.2872 9.2872 9.5297 9.5297 9.9512 9.9512 9.9782 9.9782 10.5306 10.5306 10.6124 10.6124 12.4164 12.4164 12.5960 12.5960 15.4125 15.4125 15.4842 15.4842 18.6265 18.6265 k = 0.5000-0.1100 0.5346 ( 6568 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0444 -12.0444 -12.0412 -12.0412 -11.8854 -11.8854 -11.8670 -11.8670 -11.8514 -11.8514 -11.8363 -11.8363 4.7714 4.7714 4.7864 4.7864 6.2927 6.2927 6.3946 6.3946 6.7499 6.7499 7.0184 7.0184 7.1252 7.1252 7.2837 7.2837 7.4785 7.4785 7.6790 7.6790 7.9337 7.9337 8.0550 8.0550 8.1458 8.1458 8.5745 8.5745 8.8010 8.8010 8.9454 8.9454 9.2905 9.2905 9.5621 9.5621 9.9585 9.9585 9.9880 9.9880 10.5502 10.5502 10.6339 10.6339 12.3242 12.3242 12.5155 12.5155 15.5498 15.5498 15.6218 15.6218 18.4550 18.4550 k = 0.5000-0.0962 0.5443 ( 6574 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0445 -12.0445 -12.0412 -12.0412 -11.8858 -11.8858 -11.8662 -11.8662 -11.8523 -11.8523 -11.8361 -11.8361 4.7803 4.7803 4.7968 4.7968 6.2774 6.2774 6.3711 6.3711 6.7532 6.7532 7.0283 7.0283 7.1114 7.1114 7.2595 7.2595 7.4782 7.4782 7.6898 7.6898 7.9277 7.9277 8.0453 8.0453 8.1425 8.1425 8.5762 8.5762 8.8033 8.8033 8.9819 8.9819 9.2927 9.2927 9.5920 9.5920 9.9654 9.9654 9.9966 9.9966 10.5738 10.5738 10.6570 10.6570 12.2363 12.2363 12.4401 12.4401 15.6873 15.6873 15.7599 15.7599 18.2866 18.2866 k = 0.5000-0.0825 0.5541 ( 6578 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0446 -12.0446 -12.0411 -12.0411 -11.8860 -11.8860 -11.8653 -11.8653 -11.8530 -11.8530 -11.8359 -11.8359 4.7887 4.7887 4.8066 4.8066 6.2634 6.2634 6.3491 6.3491 6.7565 6.7565 7.0385 7.0385 7.0994 7.0994 7.2355 7.2355 7.4784 7.4784 7.7030 7.7030 7.9192 7.9192 8.0366 8.0366 8.1401 8.1401 8.5778 8.5778 8.8048 8.8048 9.0144 9.0144 9.2937 9.2937 9.6187 9.6187 9.9718 9.9718 10.0037 10.0037 10.6006 10.6006 10.6808 10.6808 12.1541 12.1541 12.3706 12.3706 15.8238 15.8238 15.8972 15.8972 18.1227 18.1227 k = 0.5000-0.0687 0.5638 ( 6590 PWs) bands (ev): -39.9698 -39.9698 -39.9697 -39.9697 -12.0447 -12.0447 -12.0411 -12.0411 -11.8863 -11.8863 -11.8645 -11.8645 -11.8539 -11.8539 -11.8357 -11.8357 4.7962 4.7962 4.8155 4.8155 6.2509 6.2509 6.3291 6.3291 6.7597 6.7597 7.0492 7.0492 7.0892 7.0892 7.2122 7.2122 7.4788 7.4788 7.7180 7.7180 7.9084 7.9084 8.0290 8.0290 8.1387 8.1387 8.5793 8.5793 8.8058 8.8058 9.0427 9.0427 9.2935 9.2935 9.6420 9.6420 9.9774 9.9774 10.0092 10.0092 10.6293 10.6293 10.7044 10.7044 12.0789 12.0789 12.3084 12.3084 15.9573 15.9573 16.0321 16.0321 17.9656 17.9656 k = 0.5000-0.0550 0.5735 ( 6592 PWs) bands (ev): -39.9698 -39.9698 -39.9697 -39.9697 -12.0447 -12.0447 -12.0411 -12.0411 -11.8865 -11.8865 -11.8638 -11.8638 -11.8546 -11.8546 -11.8356 -11.8356 4.8028 4.8028 4.8232 4.8232 6.2402 6.2402 6.3120 6.3120 6.7625 6.7625 7.0605 7.0605 7.0808 7.0808 7.1901 7.1901 7.4793 7.4793 7.7339 7.7339 7.8960 7.8960 8.0226 8.0226 8.1378 8.1378 8.5806 8.5806 8.8064 8.8064 9.0668 9.0668 9.2925 9.2925 9.6615 9.6615 9.9822 9.9822 10.0131 10.0131 10.6582 10.6582 10.7266 10.7266 12.0126 12.0126 12.2546 12.2546 16.0852 16.0852 16.1619 16.1619 17.8181 17.8181 k = 0.5000-0.0412 0.5832 ( 6596 PWs) bands (ev): -39.9698 -39.9698 -39.9698 -39.9698 -12.0448 -12.0448 -12.0410 -12.0410 -11.8867 -11.8867 -11.8630 -11.8630 -11.8553 -11.8553 -11.8355 -11.8355 4.8081 4.8081 4.8295 4.8295 6.2316 6.2316 6.2980 6.2980 6.7649 6.7649 7.0724 7.0724 7.0743 7.0743 7.1693 7.1693 7.4799 7.4799 7.7499 7.7499 7.8826 7.8826 8.0176 8.0176 8.1374 8.1374 8.5816 8.5816 8.8067 8.8067 9.0862 9.0862 9.2909 9.2909 9.6769 9.6769 9.9859 9.9859 10.0156 10.0156 10.6849 10.6849 10.7460 10.7460 11.9573 11.9573 12.2107 12.2107 16.2025 16.2025 16.2819 16.2819 17.6854 17.6854 k = 0.5000-0.0275 0.5929 ( 6604 PWs) bands (ev): -39.9698 -39.9698 -39.9698 -39.9698 -12.0448 -12.0448 -12.0410 -12.0410 -11.8868 -11.8868 -11.8624 -11.8624 -11.8559 -11.8559 -11.8354 -11.8354 4.8120 4.8120 4.8341 4.8341 6.2253 6.2253 6.2878 6.2878 6.7666 6.7666 7.0696 7.0696 7.0852 7.0852 7.1501 7.1501 7.4803 7.4803 7.7650 7.7650 7.8695 7.8695 8.0139 8.0139 8.1373 8.1373 8.5824 8.5824 8.8069 8.8069 9.1005 9.1005 9.2892 9.2892 9.6880 9.6880 9.9886 9.9886 10.0171 10.0171 10.7067 10.7067 10.7612 10.7612 11.9153 11.9153 12.1781 12.1781 16.3013 16.3013 16.3840 16.3840 17.5755 17.5755 k = 0.5000-0.0137 0.6027 ( 6604 PWs) bands (ev): -39.9698 -39.9698 -39.9698 -39.9698 -12.0448 -12.0448 -12.0410 -12.0410 -11.8868 -11.8868 -11.8620 -11.8620 -11.8563 -11.8563 -11.8354 -11.8354 4.8144 4.8144 4.8370 4.8370 6.2215 6.2215 6.2815 6.2815 6.7677 6.7677 7.0669 7.0669 7.0987 7.0987 7.1327 7.1327 7.4806 7.4806 7.7768 7.7768 7.8589 7.8589 8.0117 8.0117 8.1372 8.1372 8.5829 8.5829 8.8070 8.8070 9.1094 9.1094 9.2878 9.2878 9.6948 9.6948 9.9903 9.9903 10.0179 10.0179 10.7211 10.7211 10.7709 10.7709 11.8890 11.8890 12.1579 12.1579 16.3699 16.3699 16.4557 16.4557 17.5002 17.5002 k = 0.5000-0.0000 0.6124 ( 6620 PWs) bands (ev): -39.9698 -39.9698 -39.9698 -39.9698 -12.0449 -12.0449 -12.0410 -12.0410 -11.8869 -11.8869 -11.8619 -11.8619 -11.8565 -11.8565 -11.8354 -11.8354 4.8152 4.8152 4.8380 4.8380 6.2202 6.2202 6.2794 6.2794 6.7681 6.7681 7.0659 7.0659 7.1089 7.1089 7.1211 7.1211 7.4807 7.4807 7.7816 7.7816 7.8545 7.8545 8.0109 8.0109 8.1372 8.1372 8.5831 8.5831 8.8070 8.8070 9.1124 9.1124 9.2873 9.2873 9.6970 9.6970 9.9908 9.9908 10.0181 10.0181 10.7261 10.7261 10.7743 10.7743 11.8800 11.8800 12.1511 12.1511 16.3950 16.3950 16.4821 16.4821 17.4729 17.4729 k = 0.5000-0.0000 0.6124 ( 6620 PWs) bands (ev): -39.9698 -39.9698 -39.9698 -39.9698 -12.0449 -12.0449 -12.0410 -12.0410 -11.8869 -11.8869 -11.8619 -11.8619 -11.8565 -11.8565 -11.8354 -11.8354 4.8152 4.8152 4.8380 4.8380 6.2202 6.2202 6.2794 6.2794 6.7681 6.7681 7.0659 7.0659 7.1089 7.1089 7.1211 7.1211 7.4807 7.4807 7.7816 7.7816 7.8545 7.8545 8.0109 8.0109 8.1372 8.1372 8.5831 8.5831 8.8070 8.8070 9.1124 9.1124 9.2873 9.2873 9.6970 9.6970 9.9908 9.9908 10.0181 10.0181 10.7261 10.7261 10.7743 10.7743 11.8800 11.8800 12.1511 12.1511 16.3950 16.3950 16.4821 16.4821 17.4729 17.4729 k = 0.4917 0.0144 0.6124 ( 6606 PWs) bands (ev): -39.9698 -39.9698 -39.9697 -39.9697 -12.0449 -12.0449 -12.0410 -12.0410 -11.8869 -11.8869 -11.8619 -11.8619 -11.8564 -11.8564 -11.8354 -11.8354 4.7727 4.7727 4.8796 4.8796 6.2206 6.2206 6.2803 6.2803 6.7667 6.7667 7.0595 7.0595 7.1058 7.1058 7.1320 7.1320 7.4758 7.4758 7.7768 7.7768 7.8571 7.8571 8.0063 8.0063 8.1500 8.1500 8.5825 8.5825 8.8078 8.8078 9.1108 9.1108 9.2891 9.2891 9.6964 9.6964 9.9875 9.9875 10.0210 10.0210 10.7131 10.7131 10.7832 10.7832 11.8803 11.8803 12.1612 12.1612 16.3473 16.3473 16.5022 16.5022 17.4851 17.4851 k = 0.4833 0.0289 0.6124 ( 6606 PWs) bands (ev): -39.9699 -39.9699 -39.9696 -39.9696 -12.0449 -12.0449 -12.0409 -12.0409 -11.8868 -11.8868 -11.8621 -11.8621 -11.8562 -11.8562 -11.8354 -11.8354 4.7218 4.7218 4.9283 4.9283 6.2216 6.2216 6.2828 6.2828 6.7634 6.7634 7.0460 7.0460 7.1046 7.1046 7.1502 7.1502 7.4620 7.4620 7.7631 7.7631 7.8631 7.8631 7.9983 7.9983 8.1818 8.1818 8.5816 8.5816 8.8096 8.8096 9.1061 9.1061 9.2944 9.2944 9.6946 9.6946 9.9803 9.9803 10.0265 10.0265 10.6895 10.6895 10.7945 10.7945 11.8781 11.8781 12.1946 12.1946 16.2377 16.2377 16.5360 16.5360 17.5290 17.5290 k = 0.4750 0.0433 0.6124 ( 6598 PWs) bands (ev): -39.9700 -39.9700 -39.9695 -39.9695 -12.0450 -12.0450 -12.0408 -12.0408 -11.8868 -11.8868 -11.8624 -11.8624 -11.8559 -11.8559 -11.8354 -11.8354 4.6724 4.6724 4.9747 4.9747 6.2226 6.2226 6.2867 6.2867 6.7591 6.7591 7.0308 7.0308 7.1060 7.1060 7.1692 7.1692 7.4417 7.4417 7.7428 7.7428 7.8672 7.8672 7.9969 7.9969 8.2227 8.2227 8.5816 8.5816 8.8114 8.8114 9.0989 9.0989 9.3032 9.3032 9.6916 9.6916 9.9719 9.9719 10.0320 10.0320 10.6640 10.6640 10.7995 10.7995 11.8714 11.8714 12.2526 12.2526 16.0979 16.0979 16.5648 16.5648 17.5918 17.5918 k = 0.4667 0.0577 0.6124 ( 6590 PWs) bands (ev): -39.9700 -39.9700 -39.9695 -39.9695 -12.0451 -12.0451 -12.0406 -12.0406 -11.8867 -11.8867 -11.8627 -11.8627 -11.8556 -11.8556 -11.8354 -11.8354 4.6252 4.6252 5.0184 5.0184 6.2234 6.2234 6.2921 6.2921 6.7548 6.7548 7.0159 7.0159 7.1088 7.1088 7.1875 7.1875 7.4173 7.4173 7.7184 7.7184 7.8650 7.8650 8.0065 8.0065 8.2671 8.2671 8.5836 8.5836 8.8126 8.8126 9.0897 9.0897 9.3149 9.3149 9.6875 9.6875 9.9630 9.9630 10.0364 10.0364 10.6389 10.6389 10.7974 10.7974 11.8609 11.8609 12.3328 12.3328 15.9412 15.9412 16.5859 16.5859 17.6635 17.6635 k = 0.4583 0.0722 0.6124 ( 6583 PWs) bands (ev): -39.9701 -39.9701 -39.9694 -39.9694 -12.0452 -12.0452 -12.0405 -12.0405 -11.8866 -11.8866 -11.8631 -11.8631 -11.8552 -11.8552 -11.8354 -11.8354 4.5808 4.5808 5.0590 5.0590 6.2235 6.2235 6.2985 6.2985 6.7514 6.7514 7.0021 7.0021 7.1120 7.1120 7.2045 7.2045 7.3908 7.3908 7.6922 7.6922 7.8567 7.8567 8.0251 8.0251 8.3119 8.3119 8.5881 8.5881 8.8131 8.8131 9.0790 9.0790 9.3292 9.3292 9.6822 9.6822 9.9537 9.9537 10.0394 10.0394 10.6150 10.6150 10.7893 10.7893 11.8484 11.8484 12.4313 12.4313 15.7750 15.7750 16.5998 16.5998 17.7446 17.7447 k = 0.4500 0.0866 0.6124 ( 6571 PWs) bands (ev): -39.9701 -39.9701 -39.9693 -39.9693 -12.0453 -12.0453 -12.0403 -12.0403 -11.8865 -11.8865 -11.8635 -11.8635 -11.8548 -11.8548 -11.8355 -11.8355 4.5396 4.5396 5.0965 5.0965 6.2230 6.2230 6.3058 6.3058 6.7495 6.7495 6.9896 6.9896 7.1148 7.1148 7.2198 7.2198 7.3638 7.3638 7.6663 7.6663 7.8445 7.8445 8.0484 8.0484 8.3552 8.3552 8.5956 8.5956 8.8130 8.8130 9.0673 9.0673 9.3455 9.3455 9.6757 9.6757 9.9444 9.9444 10.0409 10.0409 10.5931 10.5931 10.7766 10.7766 11.8351 11.8351 12.5443 12.5443 15.6034 15.6034 16.6079 16.6079 17.8356 17.8356 k = 0.4417 0.1010 0.6124 ( 6565 PWs) bands (ev): -39.9702 -39.9702 -39.9693 -39.9693 -12.0453 -12.0453 -12.0402 -12.0402 -11.8864 -11.8864 -11.8638 -11.8638 -11.8544 -11.8544 -11.8355 -11.8355 4.5020 4.5020 5.1305 5.1305 6.2219 6.2219 6.3135 6.3135 6.7495 6.7495 6.9785 6.9785 7.1164 7.1164 7.2330 7.2330 7.3379 7.3379 7.6422 7.6422 7.8303 7.8303 8.0730 8.0730 8.3957 8.3957 8.6061 8.6061 8.8129 8.8129 9.0548 9.0548 9.3632 9.3632 9.6679 9.6679 9.9352 9.9352 10.0407 10.0407 10.5736 10.5736 10.7611 10.7611 11.8222 11.8222 12.6686 12.6686 15.4294 15.4294 16.6115 16.6115 17.9352 17.9352 k = 0.4333 0.1155 0.6124 ( 6566 PWs) bands (ev): -39.9702 -39.9702 -39.9692 -39.9692 -12.0454 -12.0454 -12.0401 -12.0401 -11.8863 -11.8863 -11.8642 -11.8642 -11.8541 -11.8541 -11.8356 -11.8356 4.4682 4.4682 5.1610 5.1610 6.2203 6.2203 6.3210 6.3210 6.7517 6.7517 6.9687 6.9687 7.1162 7.1162 7.2435 7.2435 7.3144 7.3144 7.6212 7.6212 7.8151 7.8151 8.0970 8.0970 8.4321 8.4321 8.6193 8.6193 8.8134 8.8134 9.0415 9.0415 9.3820 9.3820 9.6587 9.6587 9.9263 9.9263 10.0389 10.0389 10.5569 10.5569 10.7441 10.7441 11.8102 11.8102 12.8015 12.8015 15.2546 15.2546 16.6120 16.6120 18.0421 18.0421 k = 0.4250 0.1299 0.6124 ( 6566 PWs) bands (ev): -39.9703 -39.9703 -39.9692 -39.9692 -12.0455 -12.0455 -12.0400 -12.0400 -11.8863 -11.8863 -11.8645 -11.8645 -11.8538 -11.8538 -11.8356 -11.8356 4.4385 4.4385 5.1878 5.1878 6.2185 6.2185 6.3282 6.3282 6.7560 6.7560 6.9602 6.9602 7.1139 7.1139 7.2507 7.2507 7.2947 7.2947 7.6042 7.6042 7.7996 7.7996 8.1189 8.1189 8.4640 8.4640 8.6337 8.6337 8.8159 8.8159 9.0275 9.0275 9.4014 9.4014 9.6480 9.6480 9.9181 9.9181 10.0357 10.0357 10.5432 10.5432 10.7268 10.7268 11.7995 11.7995 12.9407 12.9407 15.0808 15.0808 16.6105 16.6105 18.1547 18.1547 k = 0.4167 0.1443 0.6124 ( 6565 PWs) bands (ev): -39.9703 -39.9703 -39.9692 -39.9692 -12.0456 -12.0456 -12.0399 -12.0399 -11.8862 -11.8862 -11.8648 -11.8648 -11.8536 -11.8536 -11.8357 -11.8357 4.4131 4.4131 5.2107 5.2107 6.2166 6.2166 6.3346 6.3346 6.7621 6.7621 6.9528 6.9528 7.1094 7.1094 7.2526 7.2526 7.2814 7.2814 7.5915 7.5915 7.7845 7.7845 8.1381 8.1381 8.4912 8.4912 8.6473 8.6473 8.8217 8.8217 9.0128 9.0128 9.4210 9.4210 9.6358 9.6358 9.9109 9.9109 10.0314 10.0314 10.5324 10.5324 10.7105 10.7105 11.7902 11.7902 13.0839 13.0839 14.9093 14.9093 16.6080 16.6080 18.2714 18.2714 k = 0.4083 0.1588 0.6124 ( 6556 PWs) bands (ev): -39.9703 -39.9703 -39.9691 -39.9691 -12.0457 -12.0457 -12.0398 -12.0398 -11.8861 -11.8861 -11.8650 -11.8650 -11.8533 -11.8533 -11.8357 -11.8357 4.3921 4.3921 5.2296 5.2296 6.2148 6.2148 6.3400 6.3400 6.7693 6.7693 6.9463 6.9463 7.1033 7.1033 7.2477 7.2477 7.2764 7.2764 7.5831 7.5831 7.7705 7.7705 8.1540 8.1540 8.5140 8.5140 8.6580 8.6580 8.8318 8.8318 8.9972 8.9972 9.4405 9.4405 9.6224 9.6224 9.9049 9.9049 10.0266 10.0266 10.5242 10.5242 10.6959 10.6959 11.7825 11.7825 13.2285 13.2285 14.7424 14.7424 16.6051 16.6051 18.3898 18.3898 k = 0.4000 0.1732 0.6124 ( 6548 PWs) bands (ev): -39.9704 -39.9704 -39.9691 -39.9691 -12.0457 -12.0457 -12.0397 -12.0397 -11.8860 -11.8860 -11.8652 -11.8652 -11.8531 -11.8531 -11.8357 -11.8357 4.3757 4.3757 5.2444 5.2444 6.2133 6.2133 6.3444 6.3444 6.7770 6.7770 6.9407 6.9407 7.0965 7.0965 7.2404 7.2404 7.2759 7.2759 7.5782 7.5782 7.7581 7.7581 8.1664 8.1664 8.5326 8.5326 8.6644 8.6644 8.8464 8.8464 8.9807 8.9807 9.4591 9.4591 9.6082 9.6082 9.9003 9.9003 10.0219 10.0219 10.5185 10.5185 10.6837 10.6837 11.7764 11.7764 13.3703 13.3703 14.5836 14.5836 16.6023 16.6023 18.5060 18.5060 k = 0.3917 0.1876 0.6124 ( 6548 PWs) bands (ev): -39.9704 -39.9704 -39.9691 -39.9691 -12.0457 -12.0457 -12.0396 -12.0396 -11.8860 -11.8860 -11.8653 -11.8653 -11.8530 -11.8530 -11.8358 -11.8358 4.3639 4.3639 5.2550 5.2550 6.2121 6.2121 6.3475 6.3475 6.7838 6.7838 6.9362 6.9362 7.0904 7.0904 7.2343 7.2343 7.2762 7.2762 7.5760 7.5760 7.7484 7.7484 8.1753 8.1753 8.5467 8.5467 8.6671 8.6671 8.8638 8.8638 8.9638 8.9638 9.4759 9.4759 9.5945 9.5945 9.8970 9.8970 10.0179 10.0179 10.5147 10.5147 10.6746 10.6746 11.7720 11.7720 13.5017 13.5017 14.4403 14.4403 16.6001 16.6001 18.6117 18.6117 k = 0.3833 0.2021 0.6124 ( 6553 PWs) bands (ev): -39.9704 -39.9704 -39.9691 -39.9691 -12.0458 -12.0458 -12.0396 -12.0396 -11.8860 -11.8860 -11.8654 -11.8654 -11.8529 -11.8529 -11.8358 -11.8358 4.3568 4.3568 5.2614 5.2614 6.2113 6.2113 6.3494 6.3494 6.7887 6.7887 6.9331 6.9331 7.0862 7.0862 7.2306 7.2306 7.2764 7.2764 7.5753 7.5753 7.7421 7.7421 8.1807 8.1807 8.5557 8.5557 8.6676 8.6676 8.8805 8.8805 8.9482 8.9482 9.4887 9.4887 9.5835 9.5835 9.8952 9.8952 10.0152 10.0152 10.5127 10.5127 10.6689 10.6689 11.7694 11.7694 13.6055 13.6055 14.3294 14.3294 16.5987 16.5987 18.6902 18.6902 k = 0.3750 0.2165 0.6124 ( 6559 PWs) bands (ev): -39.9704 -39.9704 -39.9691 -39.9691 -12.0458 -12.0458 -12.0396 -12.0396 -11.8860 -11.8860 -11.8655 -11.8655 -11.8529 -11.8529 -11.8358 -11.8358 4.3544 4.3544 5.2636 5.2636 6.2111 6.2111 6.3501 6.3501 6.7905 6.7905 6.9320 6.9320 7.0847 7.0847 7.2293 7.2293 7.2765 7.2765 7.5752 7.5752 7.7400 7.7400 8.1824 8.1824 8.5589 8.5589 8.6676 8.6676 8.8888 8.8888 8.9405 8.9405 9.4938 9.4938 9.5790 9.5790 9.8946 9.8946 10.0143 10.0143 10.5120 10.5120 10.6670 10.6670 11.7686 11.7686 13.6482 13.6482 14.2844 14.2844 16.5982 16.5982 18.7198 18.7198 k = 0.3750 0.2165 0.6124 ( 6559 PWs) bands (ev): -39.9704 -39.9704 -39.9691 -39.9691 -12.0458 -12.0458 -12.0396 -12.0396 -11.8860 -11.8860 -11.8655 -11.8655 -11.8529 -11.8529 -11.8358 -11.8358 4.3544 4.3544 5.2636 5.2636 6.2111 6.2111 6.3501 6.3501 6.7905 6.7905 6.9320 6.9320 7.0847 7.0847 7.2293 7.2293 7.2765 7.2765 7.5752 7.5752 7.7400 7.7400 8.1824 8.1824 8.5589 8.5589 8.6676 8.6676 8.8888 8.8888 8.9405 8.9405 9.4938 9.4938 9.5790 9.5790 9.8946 9.8946 10.0143 10.0143 10.5120 10.5120 10.6670 10.6670 11.7686 11.7686 13.6482 13.6482 14.2844 14.2844 16.5982 16.5982 18.7198 18.7198 k = 0.3667 0.2117 0.5988 ( 6551 PWs) bands (ev): -39.9705 -39.9705 -39.9690 -39.9690 -12.0461 -12.0461 -12.0393 -12.0393 -11.8862 -11.8862 -11.8646 -11.8646 -11.8537 -11.8537 -11.8356 -11.8356 4.3085 4.3085 5.3300 5.3300 6.1967 6.1967 6.3215 6.3215 6.7973 6.7973 6.8909 6.8909 7.0599 7.0599 7.2093 7.2093 7.2526 7.2526 7.5891 7.5891 7.7316 7.7316 8.2057 8.2057 8.5731 8.5731 8.6588 8.6588 8.9318 8.9318 8.9810 8.9810 9.5248 9.5248 9.6123 9.6123 9.8881 9.8881 10.0224 10.0224 10.5209 10.5209 10.6947 10.6947 11.6979 11.6979 13.6638 13.6638 14.2996 14.2996 16.7899 16.7899 18.5950 18.5950 k = 0.3583 0.2069 0.5852 ( 6559 PWs) bands (ev): -39.9706 -39.9706 -39.9689 -39.9689 -12.0465 -12.0465 -12.0389 -12.0389 -11.8865 -11.8865 -11.8638 -11.8638 -11.8545 -11.8545 -11.8354 -11.8354 4.2599 4.2599 5.3951 5.3951 6.1869 6.1869 6.2939 6.2939 6.8011 6.8011 6.8453 6.8453 7.0310 7.0310 7.1742 7.1742 7.2474 7.2474 7.6091 7.6091 7.7259 7.7259 8.2277 8.2277 8.5755 8.5755 8.6637 8.6637 8.9715 8.9715 9.0213 9.0213 9.5553 9.5553 9.6443 9.6443 9.8804 9.8804 10.0326 10.0326 10.5310 10.5310 10.7254 10.7254 11.6396 11.6396 13.6797 13.6797 14.3155 14.3155 16.9819 16.9819 18.4606 18.4606 k = 0.3500 0.2021 0.5715 ( 6565 PWs) bands (ev): -39.9707 -39.9707 -39.9688 -39.9688 -12.0468 -12.0468 -12.0386 -12.0386 -11.8867 -11.8867 -11.8631 -11.8631 -11.8553 -11.8553 -11.8353 -11.8353 4.2089 4.2089 5.4565 5.4565 6.1823 6.1823 6.2689 6.2689 6.7924 6.7924 6.8056 6.8056 6.9968 6.9968 7.1384 7.1384 7.2477 7.2477 7.6336 7.6336 7.7235 7.7235 8.2483 8.2483 8.5649 8.5649 8.6838 8.6838 9.0065 9.0065 9.0615 9.0615 9.5843 9.5843 9.6742 9.6742 9.8733 9.8733 10.0460 10.0460 10.5426 10.5426 10.7593 10.7593 11.5933 11.5933 13.6959 13.6959 14.3320 14.3320 17.1737 17.1737 18.3199 18.3199 k = 0.3417 0.1973 0.5579 ( 6561 PWs) bands (ev): -39.9707 -39.9707 -39.9687 -39.9687 -12.0471 -12.0471 -12.0381 -12.0381 -11.8868 -11.8868 -11.8623 -11.8623 -11.8560 -11.8560 -11.8352 -11.8352 4.1556 4.1556 5.5114 5.5114 6.1810 6.1810 6.2511 6.2511 6.7440 6.7440 6.7994 6.7994 6.9571 6.9571 7.1073 7.1073 7.2487 7.2487 7.6613 7.6613 7.7254 7.7254 8.2671 8.2671 8.5485 8.5485 8.7128 8.7128 9.0353 9.0353 9.1014 9.1014 9.6109 9.6109 9.7005 9.7005 9.8705 9.8705 10.0633 10.0633 10.5557 10.5557 10.7963 10.7963 11.5588 11.5588 13.7122 13.7122 14.3492 14.3492 17.3642 17.3642 18.1763 18.1763 k = 0.3333 0.1925 0.5443 ( 6557 PWs) bands (ev): -39.9708 -39.9708 -39.9686 -39.9686 -12.0475 -12.0475 -12.0377 -12.0377 -11.8870 -11.8870 -11.8617 -11.8617 -11.8566 -11.8566 -11.8351 -11.8351 4.1002 4.1002 5.5568 5.5568 6.1733 6.1733 6.2521 6.2521 6.6924 6.6924 6.7898 6.7898 6.9139 6.9139 7.0817 7.0817 7.2487 7.2487 7.6890 7.6890 7.7341 7.7341 8.2836 8.2836 8.5308 8.5308 8.7467 8.7467 9.0564 9.0564 9.1409 9.1409 9.6337 9.6337 9.7225 9.7225 9.8765 9.8765 10.0851 10.0851 10.5705 10.5705 10.8363 10.8363 11.5351 11.5351 13.7285 13.7285 14.3671 14.3671 17.5504 17.5504 18.0339 18.0339 k = 0.3250 0.1876 0.5307 ( 6573 PWs) bands (ev): -39.9710 -39.9710 -39.9685 -39.9685 -12.0479 -12.0479 -12.0373 -12.0373 -11.8871 -11.8871 -11.8613 -11.8613 -11.8571 -11.8571 -11.8350 -11.8350 4.0427 4.0427 5.5906 5.5906 6.1545 6.1545 6.2776 6.2776 6.6413 6.6413 6.7720 6.7720 6.8715 6.8715 7.0607 7.0607 7.2467 7.2467 7.7113 7.7113 7.7542 7.7542 8.2976 8.2976 8.5142 8.5142 8.7835 8.7835 9.0692 9.0692 9.1801 9.1801 9.6520 9.6520 9.7406 9.7406 9.8940 9.8940 10.1112 10.1112 10.5873 10.5873 10.8789 10.8789 11.5211 11.5211 13.7447 13.7447 14.3856 14.3856 17.7130 17.7130 17.9116 17.9116 k = 0.3167 0.1828 0.5171 ( 6569 PWs) bands (ev): -39.9711 -39.9711 -39.9684 -39.9684 -12.0483 -12.0483 -12.0368 -12.0368 -11.8872 -11.8872 -11.8611 -11.8611 -11.8573 -11.8573 -11.8350 -11.8350 3.9834 3.9834 5.6122 5.6122 6.1304 6.1304 6.3193 6.3193 6.5933 6.5933 6.7420 6.7420 6.8358 6.8358 7.0438 7.0438 7.2424 7.2424 7.7267 7.7267 7.7861 7.7861 8.3092 8.3092 8.4994 8.4994 8.8225 8.8225 9.0739 9.0739 9.2189 9.2189 9.6663 9.6663 9.7574 9.7574 9.9222 9.9222 10.1414 10.1414 10.6061 10.6061 10.9240 10.9240 11.5157 11.5157 13.7605 13.7605 14.4047 14.4047 17.6952 17.6952 17.9645 17.9645 k = 0.3083 0.1780 0.5035 ( 6557 PWs) bands (ev): -39.9712 -39.9712 -39.9683 -39.9683 -12.0486 -12.0486 -12.0363 -12.0363 -11.8872 -11.8872 -11.8613 -11.8613 -11.8571 -11.8571 -11.8350 -11.8350 3.9225 3.9225 5.6226 5.6226 6.1043 6.1043 6.3636 6.3636 6.5560 6.5560 6.6995 6.6995 6.8091 6.8091 7.0306 7.0306 7.2356 7.2356 7.7394 7.7394 7.8239 7.8239 8.3189 8.3189 8.4861 8.4861 8.8631 8.8631 9.0728 9.0728 9.2574 9.2574 9.6787 9.6787 9.7745 9.7745 9.9584 9.9584 10.1751 10.1751 10.6274 10.6274 10.9714 10.9714 11.5178 11.5178 13.7759 13.7759 14.4246 14.4246 17.5603 17.5603 18.1238 18.1238 k = 0.3000 0.1732 0.4899 ( 6553 PWs) bands (ev): -39.9713 -39.9713 -39.9682 -39.9682 -12.0490 -12.0490 -12.0358 -12.0358 -11.8872 -11.8872 -11.8618 -11.8618 -11.8566 -11.8566 -11.8350 -11.8350 3.8603 3.8603 5.6239 5.6239 6.0775 6.0775 6.3832 6.3832 6.5493 6.5493 6.6516 6.6516 6.7876 6.7876 7.0214 7.0214 7.2271 7.2271 7.7499 7.7499 7.8651 7.8651 8.3281 8.3281 8.4735 8.4735 8.9048 8.9048 9.0692 9.0692 9.2954 9.2954 9.6910 9.6910 9.7927 9.7927 9.9998 9.9998 10.2119 10.2119 10.6513 10.6513 11.0207 11.0207 11.5261 11.5261 13.7906 13.7906 14.4453 14.4453 17.4150 17.4150 18.1992 18.1992 k = 0.2917 0.1684 0.4763 ( 6537 PWs) bands (ev): -39.9714 -39.9714 -39.9681 -39.9681 -12.0494 -12.0494 -12.0352 -12.0352 -11.8871 -11.8871 -11.8624 -11.8624 -11.8560 -11.8560 -11.8350 -11.8350 3.7967 3.7967 5.6184 5.6184 6.0504 6.0504 6.3606 6.3606 6.5608 6.5608 6.6268 6.6268 6.7683 6.7683 7.0175 7.0175 7.2182 7.2182 7.7570 7.7570 7.9086 7.9086 8.3374 8.3374 8.4616 8.4616 8.9472 8.9472 9.0673 9.0673 9.3330 9.3330 9.7037 9.7037 9.8121 9.8121 10.0440 10.0440 10.2518 10.2518 10.6781 10.6781 11.0717 11.0717 11.5399 11.5399 13.8046 13.8046 14.4667 14.4667 17.2679 17.2679 18.1482 18.1482 k = 0.2833 0.1636 0.4627 ( 6541 PWs) bands (ev): -39.9715 -39.9715 -39.9679 -39.9679 -12.0498 -12.0498 -12.0347 -12.0347 -11.8871 -11.8871 -11.8631 -11.8631 -11.8553 -11.8553 -11.8350 -11.8350 3.7322 3.7322 5.6080 5.6080 6.0232 6.0232 6.3169 6.3169 6.5184 6.5184 6.6708 6.6708 6.7496 6.7496 7.0201 7.0201 7.2119 7.2119 7.7593 7.7593 7.9542 7.9542 8.3441 8.3441 8.4540 8.4540 8.9896 8.9896 9.0710 9.0710 9.3702 9.3702 9.7166 9.7166 9.8331 9.8331 10.0890 10.0890 10.2948 10.2948 10.7080 10.7080 11.1241 11.1241 11.5583 11.5583 13.8176 13.8176 14.4889 14.4889 17.1206 17.1206 18.1000 18.1000 k = 0.2750 0.1588 0.4491 ( 6545 PWs) bands (ev): -39.9716 -39.9716 -39.9678 -39.9678 -12.0502 -12.0502 -12.0341 -12.0341 -11.8871 -11.8871 -11.8639 -11.8639 -11.8547 -11.8547 -11.8351 -11.8351 3.6669 3.6669 5.5941 5.5941 5.9957 5.9957 6.2667 6.2667 6.4612 6.4612 6.7190 6.7190 6.7352 6.7352 7.0292 7.0292 7.2142 7.2142 7.7565 7.7565 8.0008 8.0008 8.3406 8.3406 8.4603 8.4603 9.0311 9.0311 9.0833 9.0833 9.4070 9.4070 9.7291 9.7291 9.8559 9.8559 10.1331 10.1331 10.3413 10.3413 10.7411 10.7411 11.1779 11.1779 11.5807 11.5807 13.8295 13.8295 14.5120 14.5120 16.9735 16.9735 18.0533 18.0533 k = 0.2667 0.1540 0.4355 ( 6545 PWs) bands (ev): -39.9718 -39.9718 -39.9677 -39.9677 -12.0506 -12.0506 -12.0336 -12.0336 -11.8869 -11.8869 -11.8647 -11.8647 -11.8540 -11.8540 -11.8352 -11.8352 3.6010 3.6010 5.5780 5.5780 5.9680 5.9680 6.2142 6.2142 6.4014 6.4014 6.7095 6.7095 6.7643 6.7643 7.0386 7.0386 7.2346 7.2346 7.7504 7.7504 8.0457 8.0457 8.3253 8.3253 8.4859 8.4859 9.0694 9.0694 9.1067 9.1067 9.4434 9.4434 9.7409 9.7409 9.8804 9.8804 10.1745 10.1745 10.3916 10.3916 10.7774 10.7774 11.2327 11.2327 11.6064 11.6064 13.8401 13.8401 14.5360 14.5360 16.8269 16.8269 18.0046 18.0046 k = 0.2583 0.1491 0.4219 ( 6545 PWs) bands (ev): -39.9719 -39.9719 -39.9676 -39.9676 -12.0510 -12.0510 -12.0330 -12.0330 -11.8869 -11.8869 -11.8655 -11.8655 -11.8533 -11.8533 -11.8353 -11.8353 3.5346 3.5346 5.5604 5.5604 5.9401 5.9401 6.1610 6.1610 6.3410 6.3410 6.6907 6.6907 6.7854 6.7854 7.0393 7.0393 7.2773 7.2773 7.7456 7.7456 8.0818 8.0818 8.3107 8.3107 8.5268 8.5268 9.1041 9.1041 9.1412 9.1412 9.4794 9.4794 9.7518 9.7518 9.9066 9.9066 10.2125 10.2125 10.4460 10.4460 10.8168 10.8168 11.2884 11.2884 11.6351 11.6351 13.8493 13.8493 14.5610 14.5610 16.6811 16.6811 17.9420 17.9420 k = 0.2500 0.1443 0.4082 ( 6537 PWs) bands (ev): -39.9720 -39.9720 -39.9675 -39.9675 -12.0514 -12.0514 -12.0323 -12.0323 -11.8867 -11.8867 -11.8663 -11.8663 -11.8525 -11.8525 -11.8354 -11.8354 3.4681 3.4681 5.5418 5.5418 5.9120 5.9120 6.1080 6.1080 6.2806 6.2806 6.6716 6.6716 6.7936 6.7936 7.0298 7.0298 7.3305 7.3305 7.7507 7.7507 8.0959 8.0959 8.3155 8.3155 8.5782 8.5782 9.1389 9.1389 9.1818 9.1818 9.5150 9.5150 9.7619 9.7619 9.9340 9.9340 10.2464 10.2464 10.5043 10.5043 10.8592 10.8592 11.3450 11.3450 11.6664 11.6664 13.8568 13.8568 14.5869 14.5869 16.5360 16.5360 17.8483 17.8483 k = 0.2417 0.1395 0.3946 ( 6545 PWs) bands (ev): -39.9721 -39.9721 -39.9673 -39.9673 -12.0519 -12.0519 -12.0317 -12.0317 -11.8866 -11.8866 -11.8672 -11.8672 -11.8519 -11.8519 -11.8356 -11.8356 3.4015 3.4015 5.5227 5.5227 5.8834 5.8834 6.0554 6.0554 6.2204 6.2204 6.6524 6.6524 6.7934 6.7934 7.0139 7.0139 7.3733 7.3733 7.7779 7.7779 8.0814 8.0814 8.3500 8.3500 8.6376 8.6376 9.1767 9.1767 9.2243 9.2243 9.5503 9.5503 9.7714 9.7714 9.9624 9.9624 10.2766 10.2766 10.5658 10.5658 10.9042 10.9042 11.4022 11.4022 11.7001 11.7001 13.8625 13.8625 14.6138 14.6138 16.3917 16.3917 17.7344 17.7344 k = 0.2333 0.1347 0.3810 ( 6537 PWs) bands (ev): -39.9722 -39.9722 -39.9672 -39.9672 -12.0523 -12.0523 -12.0310 -12.0310 -11.8864 -11.8864 -11.8680 -11.8680 -11.8511 -11.8511 -11.8357 -11.8357 3.3352 3.3352 5.5034 5.5034 5.8546 5.8546 6.0036 6.0036 6.1608 6.1608 6.6335 6.6335 6.7880 6.7880 6.9946 6.9946 7.3902 7.3902 7.8356 7.8356 8.0491 8.0491 8.4060 8.4060 8.7036 8.7036 9.2176 9.2176 9.2671 9.2671 9.5852 9.5852 9.7808 9.7808 9.9916 9.9916 10.3035 10.3035 10.6299 10.6299 10.9517 10.9517 11.4599 11.4599 11.7359 11.7359 13.8663 13.8663 14.6418 14.6418 16.2484 16.2484 17.6148 17.6148 k = 0.2250 0.1299 0.3674 ( 6539 PWs) bands (ev): -39.9724 -39.9724 -39.9671 -39.9671 -12.0527 -12.0527 -12.0304 -12.0304 -11.8863 -11.8863 -11.8688 -11.8688 -11.8505 -11.8505 -11.8359 -11.8359 3.2692 3.2692 5.4842 5.4842 5.8253 5.8253 5.9527 5.9527 6.1019 6.1019 6.6147 6.6147 6.7790 6.7790 6.9739 6.9739 7.3815 7.3815 7.9138 7.9138 8.0160 8.0160 8.4743 8.4743 8.7751 8.7751 9.2616 9.2616 9.3095 9.3095 9.6194 9.6194 9.7904 9.7904 10.0213 10.0213 10.3276 10.3276 10.6959 10.6959 11.0013 11.0013 11.5180 11.5180 11.7737 11.7737 13.8680 13.8680 14.6709 14.6709 16.1061 16.1061 17.4945 17.4945 k = 0.2167 0.1251 0.3538 ( 6529 PWs) bands (ev): -39.9725 -39.9725 -39.9670 -39.9670 -12.0531 -12.0531 -12.0297 -12.0297 -11.8861 -11.8861 -11.8697 -11.8697 -11.8497 -11.8497 -11.8360 -11.8360 3.2038 3.2038 5.4652 5.4652 5.7957 5.7957 5.9028 5.9028 6.0440 6.0440 6.5963 6.5963 6.7672 6.7672 6.9530 6.9530 7.3559 7.3559 7.9391 7.9391 8.0498 8.0498 8.5499 8.5499 8.8518 8.8518 9.3083 9.3083 9.3510 9.3510 9.6528 9.6528 9.8009 9.8009 10.0514 10.0514 10.3494 10.3494 10.7631 10.7631 11.0527 11.0527 11.5765 11.5765 11.8133 11.8133 13.8673 13.8673 14.7011 14.7011 15.9648 15.9648 17.3752 17.3752 k = 0.2083 0.1203 0.3402 ( 6529 PWs) bands (ev): -39.9726 -39.9726 -39.9669 -39.9669 -12.0536 -12.0536 -12.0290 -12.0290 -11.8860 -11.8860 -11.8705 -11.8705 -11.8491 -11.8491 -11.8362 -11.8362 3.1391 3.1391 5.4465 5.4465 5.7656 5.7656 5.8541 5.8541 5.9872 5.9872 6.5784 6.5784 6.7532 6.7532 6.9326 6.9326 7.3208 7.3208 7.9021 7.9021 8.1536 8.1536 8.6305 8.6305 8.9333 8.9333 9.3576 9.3576 9.3912 9.3912 9.6847 9.6847 9.8132 9.8132 10.0818 10.0818 10.3694 10.3694 10.8310 10.8310 11.1058 11.1058 11.6352 11.6352 11.8547 11.8547 13.8643 13.8643 14.7323 14.7323 15.8246 15.8246 17.2576 17.2576 k = 0.2000 0.1155 0.3266 ( 6519 PWs) bands (ev): -39.9727 -39.9727 -39.9668 -39.9668 -12.0540 -12.0540 -12.0282 -12.0282 -11.8858 -11.8858 -11.8713 -11.8713 -11.8484 -11.8484 -11.8363 -11.8363 3.0754 3.0754 5.4282 5.4282 5.7351 5.7351 5.8066 5.8066 5.9316 5.9316 6.5609 6.5609 6.7370 6.7370 6.9133 6.9133 7.2807 7.2807 7.8593 7.8593 8.2665 8.2665 8.7144 8.7144 9.0192 9.0192 9.4098 9.4098 9.4301 9.4301 9.7139 9.7139 9.8288 9.8288 10.1123 10.1123 10.3880 10.3880 10.8992 10.8992 11.1601 11.1601 11.6939 11.6939 11.8978 11.8978 13.8586 13.8586 14.7647 14.7647 15.6857 15.6857 17.1421 17.1421 k = 0.1917 0.1107 0.3130 ( 6525 PWs) bands (ev): -39.9728 -39.9728 -39.9666 -39.9666 -12.0544 -12.0544 -12.0276 -12.0276 -11.8856 -11.8856 -11.8721 -11.8721 -11.8478 -11.8478 -11.8365 -11.8365 3.0128 3.0128 5.4105 5.4105 5.7044 5.7044 5.7606 5.7606 5.8773 5.8773 6.5440 6.5440 6.7189 6.7189 6.8955 6.8955 7.2384 7.2384 7.8169 7.8169 8.3794 8.3794 8.8000 8.8000 9.1086 9.1086 9.4621 9.4621 9.4715 9.4715 9.7390 9.7390 9.8495 9.8495 10.1429 10.1429 10.4057 10.4057 10.9673 10.9673 11.2156 11.2156 11.7526 11.7526 11.9425 11.9425 13.8503 13.8503 14.7979 14.7979 15.5482 15.5482 17.0291 17.0291 k = 0.1833 0.1058 0.2994 ( 6537 PWs) bands (ev): -39.9729 -39.9729 -39.9665 -39.9665 -12.0549 -12.0549 -12.0270 -12.0270 -11.8854 -11.8854 -11.8729 -11.8729 -11.8472 -11.8472 -11.8367 -11.8367 2.9514 2.9514 5.3933 5.3933 5.6733 5.6733 5.7160 5.7160 5.8246 5.8246 6.5276 6.5276 6.6990 6.6990 6.8791 6.8791 7.1956 7.1956 7.7761 7.7761 8.4895 8.4895 8.8857 8.8857 9.1992 9.1992 9.4994 9.4994 9.5323 9.5323 9.7592 9.7592 9.8766 9.8766 10.1735 10.1735 10.4226 10.4226 11.0352 11.0352 11.2721 11.2721 11.8109 11.8109 11.9888 11.9888 13.8391 13.8391 14.8319 14.8319 15.4124 15.4124 16.9187 16.9187 k = 0.1750 0.1010 0.2858 ( 6539 PWs) bands (ev): -39.9730 -39.9730 -39.9664 -39.9664 -12.0552 -12.0552 -12.0263 -12.0263 -11.8853 -11.8853 -11.8737 -11.8737 -11.8466 -11.8466 -11.8369 -11.8369 2.8915 2.8915 5.3768 5.3768 5.6420 5.6420 5.6729 5.6729 5.7734 5.7734 6.5118 6.5118 6.6776 6.6776 6.8643 6.8643 7.1533 7.1533 7.7373 7.7373 8.5956 8.5956 8.9700 8.9700 9.2873 9.2873 9.5321 9.5321 9.6049 9.6049 9.7750 9.7750 9.9105 9.9105 10.2040 10.2040 10.4393 10.4393 11.1026 11.1026 11.3292 11.3292 11.8686 11.8686 12.0369 12.0369 13.8249 13.8249 14.8657 14.8657 15.2792 15.2792 16.8113 16.8113 k = 0.1667 0.0962 0.2722 ( 6545 PWs) bands (ev): -39.9731 -39.9731 -39.9663 -39.9663 -12.0557 -12.0557 -12.0257 -12.0257 -11.8851 -11.8851 -11.8744 -11.8744 -11.8460 -11.8460 -11.8371 -11.8371 2.8332 2.8332 5.3609 5.3609 5.6106 5.6106 5.6315 5.6315 5.7240 5.7240 6.4966 6.4966 6.6549 6.6549 6.8510 6.8510 7.1123 7.1123 7.7007 7.7007 8.6971 8.6971 9.0515 9.0515 9.3681 9.3681 9.5624 9.5624 9.6890 9.6890 9.7884 9.7884 9.9514 9.9514 10.2343 10.2343 10.4562 10.4562 11.1695 11.1695 11.3869 11.3869 11.9251 11.9251 12.0869 12.0869 13.8076 13.8076 14.8966 14.8966 15.1515 15.1515 16.7069 16.7069 k = 0.1583 0.0914 0.2586 ( 6527 PWs) bands (ev): -39.9732 -39.9732 -39.9662 -39.9662 -12.0560 -12.0560 -12.0250 -12.0250 -11.8849 -11.8849 -11.8751 -11.8751 -11.8454 -11.8454 -11.8373 -11.8373 2.7767 2.7767 5.3457 5.3457 5.5791 5.5791 5.5919 5.5919 5.6764 5.6764 6.4821 6.4821 6.6314 6.6314 6.8389 6.8389 7.0731 7.0731 7.6663 7.6663 8.7942 8.7942 9.1294 9.1294 9.4385 9.4385 9.5904 9.5904 9.7735 9.7735 9.8099 9.8099 10.0012 10.0012 10.2644 10.2644 10.4738 10.4738 11.2358 11.2358 11.4448 11.4448 11.9802 11.9802 12.1390 12.1390 13.7873 13.7873 14.9076 14.9076 15.0461 15.0461 16.6059 16.6059 k = 0.1500 0.0866 0.2449 ( 6533 PWs) bands (ev): -39.9733 -39.9733 -39.9661 -39.9661 -12.0564 -12.0564 -12.0243 -12.0243 -11.8847 -11.8847 -11.8758 -11.8758 -11.8449 -11.8449 -11.8375 -11.8375 2.7220 2.7220 5.3313 5.3313 5.5474 5.5474 5.5544 5.5544 5.6307 5.6307 6.4683 6.4683 6.6074 6.6074 6.8280 6.8280 7.0361 7.0361 7.6343 7.6343 8.8872 8.8872 9.2032 9.2032 9.4982 9.4982 9.6163 9.6163 9.8004 9.8004 9.8884 9.8884 10.0664 10.0664 10.2941 10.2941 10.4935 10.4935 11.3015 11.3015 11.5030 11.5030 12.0331 12.0331 12.1933 12.1933 13.7637 13.7637 14.8394 14.8394 15.0225 15.0225 16.5083 16.5083 k = 0.1417 0.0818 0.2313 ( 6537 PWs) bands (ev): -39.9734 -39.9734 -39.9660 -39.9660 -12.0568 -12.0568 -12.0237 -12.0237 -11.8846 -11.8846 -11.8765 -11.8765 -11.8443 -11.8443 -11.8377 -11.8377 2.6695 2.6695 5.3176 5.3176 5.5146 5.5146 5.5201 5.5201 5.5871 5.5871 6.4552 6.4552 6.5833 6.5833 6.8180 6.8180 7.0014 7.0014 7.6045 7.6045 8.9764 8.9764 9.2725 9.2725 9.5491 9.5491 9.6401 9.6401 9.8108 9.8108 9.9687 9.9687 10.1551 10.1551 10.3236 10.3236 10.5175 10.5175 11.3666 11.3666 11.5610 11.5610 12.0835 12.0835 12.2498 12.2498 13.7369 13.7369 14.7222 14.7222 15.0504 15.0504 16.4146 16.4146 k = 0.1333 0.0770 0.2177 ( 6529 PWs) bands (ev): -39.9735 -39.9735 -39.9659 -39.9659 -12.0571 -12.0571 -12.0231 -12.0231 -11.8844 -11.8844 -11.8772 -11.8772 -11.8438 -11.8438 -11.8379 -11.8379 2.6191 2.6191 5.3046 5.3046 5.4810 5.4810 5.4889 5.4889 5.5455 5.5455 6.4428 6.4428 6.5593 6.5593 6.8089 6.8089 6.9691 6.9691 7.5770 7.5770 9.0618 9.0618 9.3369 9.3369 9.5929 9.5929 9.6621 9.6621 9.8201 9.8201 10.0323 10.0323 10.2604 10.2604 10.3537 10.3537 10.5518 10.5518 11.4313 11.4313 11.6188 11.6188 12.1312 12.1312 12.3083 12.3083 13.7069 13.7069 14.5972 14.5972 15.0885 15.0885 16.3248 16.3248 k = 0.1250 0.0722 0.2041 ( 6533 PWs) bands (ev): -39.9736 -39.9736 -39.9658 -39.9658 -12.0574 -12.0574 -12.0226 -12.0226 -11.8842 -11.8842 -11.8778 -11.8778 -11.8433 -11.8433 -11.8380 -11.8380 2.5711 2.5711 5.2923 5.2923 5.4486 5.4486 5.4591 5.4591 5.5061 5.5061 6.4311 6.4311 6.5359 6.5359 6.8004 6.8004 6.9393 6.9393 7.5516 7.5516 9.1436 9.1436 9.3964 9.3964 9.6309 9.6309 9.6823 9.6823 9.8297 9.8297 10.0855 10.0855 10.3512 10.3512 10.3909 10.3909 10.6100 10.6100 11.4956 11.4956 11.6761 11.6761 12.1760 12.1760 12.3686 12.3686 13.6738 13.6738 14.4714 14.4714 15.1297 15.1298 16.2393 16.2393 k = 0.1167 0.0674 0.1905 ( 6521 PWs) bands (ev): -39.9737 -39.9737 -39.9658 -39.9658 -12.0577 -12.0577 -12.0220 -12.0220 -11.8840 -11.8840 -11.8784 -11.8784 -11.8428 -11.8428 -11.8382 -11.8382 2.5256 2.5256 5.2808 5.2808 5.4179 5.4179 5.4305 5.4305 5.4689 5.4689 6.4201 6.4201 6.5131 6.5131 6.7926 6.7926 6.9118 6.9118 7.5284 7.5284 9.2217 9.2217 9.4508 9.4508 9.6637 9.6637 9.7009 9.7009 9.8404 9.8404 10.1339 10.1339 10.3948 10.3948 10.4434 10.4434 10.7083 10.7083 11.5595 11.5595 11.7327 11.7327 12.2179 12.2179 12.4299 12.4299 13.6375 13.6375 14.3463 14.3463 15.1725 15.1725 16.1582 16.1582 k = 0.1083 0.0625 0.1769 ( 6531 PWs) bands (ev): -39.9738 -39.9738 -39.9657 -39.9657 -12.0580 -12.0580 -12.0214 -12.0214 -11.8839 -11.8839 -11.8790 -11.8790 -11.8424 -11.8424 -11.8383 -11.8383 2.4826 2.4826 5.2701 5.2701 5.3890 5.3890 5.4030 5.4030 5.4340 5.4340 6.4099 6.4099 6.4913 6.4913 6.7853 6.7853 6.8867 6.8867 7.5073 7.5073 9.2959 9.2959 9.5001 9.5001 9.6917 9.6917 9.7179 9.7179 9.8525 9.8525 10.1798 10.1798 10.4223 10.4223 10.4823 10.4823 10.8398 10.8398 11.6232 11.6232 11.7885 11.7885 12.2570 12.2570 12.4918 12.4918 13.5981 13.5981 14.2225 14.2225 15.2159 15.2159 16.0818 16.0818 k = 0.1000 0.0577 0.1633 ( 6529 PWs) bands (ev): -39.9738 -39.9738 -39.9656 -39.9656 -12.0583 -12.0583 -12.0209 -12.0209 -11.8838 -11.8838 -11.8796 -11.8796 -11.8420 -11.8420 -11.8384 -11.8384 2.4423 2.4423 5.2601 5.2601 5.3621 5.3621 5.3769 5.3769 5.4015 5.4015 6.4004 6.4004 6.4707 6.4707 6.7786 6.7786 6.8638 6.8638 7.4881 7.4881 9.3660 9.3660 9.5442 9.5442 9.7150 9.7150 9.7335 9.7335 9.8664 9.8664 10.2238 10.2238 10.4467 10.4467 10.5093 10.5093 10.9870 10.9870 11.6865 11.6865 11.8435 11.8435 12.2934 12.2934 12.5533 12.5533 13.5559 13.5559 14.1005 14.1005 15.2595 15.2595 16.0105 16.0105 k = 0.0917 0.0529 0.1497 ( 6533 PWs) bands (ev): -39.9739 -39.9739 -39.9656 -39.9656 -12.0586 -12.0586 -12.0205 -12.0205 -11.8837 -11.8837 -11.8801 -11.8801 -11.8416 -11.8416 -11.8386 -11.8386 2.4049 2.4049 5.2508 5.2508 5.3372 5.3372 5.3522 5.3522 5.3714 5.3714 6.3916 6.3916 6.4513 6.4513 6.7724 6.7724 6.8430 6.8430 7.4709 7.4709 9.4314 9.4314 9.5833 9.5833 9.7343 9.7343 9.7473 9.7473 9.8821 9.8821 10.2658 10.2658 10.4694 10.4694 10.5308 10.5308 11.1400 11.1400 11.7493 11.7493 11.8977 11.8977 12.3271 12.3271 12.6139 12.6139 13.5107 13.5107 13.9805 13.9805 15.3027 15.3027 15.9443 15.9443 k = 0.0833 0.0481 0.1361 ( 6537 PWs) bands (ev): -39.9740 -39.9740 -39.9655 -39.9655 -12.0589 -12.0589 -12.0200 -12.0200 -11.8836 -11.8836 -11.8807 -11.8807 -11.8412 -11.8412 -11.8387 -11.8387 2.3704 2.3704 5.2422 5.2422 5.3144 5.3144 5.3292 5.3292 5.3437 5.3437 6.3837 6.3837 6.4334 6.4334 6.7667 6.7667 6.8244 6.8244 7.4555 7.4555 9.4917 9.4917 9.6176 9.6176 9.7504 9.7504 9.7594 9.7594 9.8993 9.8993 10.3052 10.3052 10.4912 10.4912 10.5497 10.5497 11.2936 11.2936 11.8111 11.8111 11.9517 11.9517 12.3584 12.3584 12.6726 12.6726 13.4629 13.4629 13.8629 13.8629 15.3451 15.3451 15.8836 15.8836 k = 0.0750 0.0433 0.1225 ( 6537 PWs) bands (ev): -39.9740 -39.9740 -39.9655 -39.9655 -12.0591 -12.0591 -12.0196 -12.0196 -11.8835 -11.8835 -11.8811 -11.8811 -11.8409 -11.8409 -11.8388 -11.8388 2.3388 2.3388 5.2342 5.2342 5.2938 5.2938 5.3081 5.3081 5.3186 5.3186 6.3764 6.3764 6.4169 6.4169 6.7614 6.7614 6.8077 6.8077 7.4419 7.4419 9.5465 9.5465 9.6471 9.6471 9.7640 9.7640 9.7698 9.7698 9.9175 9.9175 10.3412 10.3412 10.5126 10.5126 10.5669 10.5669 11.4447 11.4447 11.8711 11.8711 12.0064 12.0064 12.3872 12.3872 12.7287 12.7287 13.4123 13.4123 13.7481 13.7481 15.3861 15.3861 15.8285 15.8285 k = 0.0667 0.0385 0.1089 ( 6531 PWs) bands (ev): -39.9741 -39.9741 -39.9654 -39.9654 -12.0593 -12.0593 -12.0192 -12.0192 -11.8834 -11.8834 -11.8815 -11.8815 -11.8406 -11.8406 -11.8389 -11.8389 2.3104 2.3104 5.2268 5.2268 5.2754 5.2754 5.2889 5.2889 5.2960 5.2960 6.3699 6.3699 6.4021 6.4021 6.7567 6.7567 6.7929 6.7929 7.4299 7.4299 9.5953 9.5953 9.6724 9.6724 9.7757 9.7757 9.7789 9.7789 9.9361 9.9361 10.3729 10.3729 10.5340 10.5340 10.5830 10.5830 11.5906 11.5906 11.9280 11.9280 12.0630 12.0630 12.4139 12.4139 12.7811 12.7811 13.3593 13.3593 13.6365 13.6365 15.4251 15.4251 15.7792 15.7792 k = 0.0583 0.0337 0.0953 ( 6525 PWs) bands (ev): -39.9741 -39.9741 -39.9654 -39.9654 -12.0595 -12.0595 -12.0188 -12.0188 -11.8833 -11.8833 -11.8818 -11.8818 -11.8403 -11.8403 -11.8390 -11.8390 2.2851 2.2851 5.2198 5.2198 5.2594 5.2594 5.2717 5.2717 5.2760 5.2760 6.3642 6.3642 6.3889 6.3889 6.7525 6.7525 6.7799 6.7799 7.4196 7.4196 9.6375 9.6375 9.6935 9.6935 9.7852 9.7852 9.7877 9.7877 9.9545 9.9545 10.3998 10.3998 10.5556 10.5556 10.5978 10.5978 11.7286 11.7286 11.9802 11.9802 12.1236 12.1236 12.4387 12.4387 12.8288 12.8288 13.3037 13.3037 13.5290 13.5290 15.4615 15.4615 15.7357 15.7357 k = 0.0500 0.0289 0.0816 ( 6517 PWs) bands (ev): -39.9741 -39.9741 -39.9653 -39.9653 -12.0596 -12.0596 -12.0185 -12.0185 -11.8832 -11.8832 -11.8821 -11.8821 -11.8400 -11.8400 -11.8391 -11.8391 2.2631 2.2631 5.2132 5.2132 5.2459 5.2459 5.2567 5.2567 5.2587 5.2587 6.3592 6.3592 6.3775 6.3775 6.7488 6.7488 6.7688 6.7688 7.4108 7.4108 9.6728 9.6728 9.7109 9.7109 9.7928 9.7928 9.7965 9.7965 9.9720 9.9720 10.4217 10.4217 10.5769 10.5769 10.6113 10.6113 11.8550 11.8550 12.0273 12.0273 12.1897 12.1897 12.4621 12.4621 12.8704 12.8704 13.2455 13.2455 13.4269 13.4269 15.4947 15.4947 15.6982 15.6982 k = 0.0417 0.0241 0.0680 ( 6509 PWs) bands (ev): -39.9742 -39.9742 -39.9653 -39.9653 -12.0597 -12.0597 -12.0182 -12.0182 -11.8831 -11.8831 -11.8824 -11.8824 -11.8397 -11.8397 -11.8391 -11.8391 2.2443 2.2443 5.2069 5.2069 5.2352 5.2352 5.2434 5.2434 5.2444 5.2444 6.3550 6.3550 6.3677 6.3677 6.7456 6.7456 6.7595 6.7595 7.4035 7.4035 9.7011 9.7011 9.7248 9.7248 9.7999 9.7999 9.8045 9.8045 9.9883 9.9883 10.4388 10.4388 10.5973 10.5973 10.6232 10.6232 11.9640 11.9640 12.0712 12.0712 12.2621 12.2621 12.4848 12.4848 12.9041 12.9041 13.1845 13.1845 13.3327 13.3327 15.5241 15.5241 15.6667 15.6667 k = 0.0333 0.0192 0.0544 ( 6517 PWs) bands (ev): -39.9742 -39.9742 -39.9652 -39.9652 -12.0599 -12.0599 -12.0181 -12.0181 -11.8831 -11.8831 -11.8826 -11.8826 -11.8396 -11.8396 -11.8392 -11.8392 2.2289 2.2289 5.2009 5.2009 5.2271 5.2271 5.2316 5.2316 5.2337 5.2337 6.3516 6.3516 6.3597 6.3597 6.7430 6.7430 6.7518 6.7518 7.3976 7.3976 9.7224 9.7224 9.7356 9.7356 9.8067 9.8067 9.8112 9.8112 10.0026 10.0026 10.4518 10.4518 10.6157 10.6157 10.6333 10.6333 12.0437 12.0437 12.1202 12.1202 12.3402 12.3402 12.5079 12.5079 12.9273 12.9273 13.1202 13.1202 13.2506 13.2506 15.5492 15.5492 15.6411 15.6411 k = 0.0250 0.0144 0.0408 ( 6521 PWs) bands (ev): -39.9742 -39.9742 -39.9652 -39.9652 -12.0600 -12.0600 -12.0179 -12.0179 -11.8831 -11.8831 -11.8828 -11.8828 -11.8395 -11.8395 -11.8393 -11.8393 2.2169 2.2169 5.1956 5.1956 5.2214 5.2214 5.2222 5.2222 5.2255 5.2255 6.3489 6.3489 6.3535 6.3535 6.7410 6.7410 6.7459 6.7459 7.3930 7.3930 9.7373 9.7373 9.7437 9.7437 9.8132 9.8132 9.8166 9.8166 10.0144 10.0144 10.4613 10.4613 10.6312 10.6312 10.6415 10.6415 12.0874 12.0874 12.1782 12.1782 12.4211 12.4211 12.5321 12.5321 12.9363 12.9363 13.0526 13.0526 13.1874 13.1874 15.5693 15.5693 15.6213 15.6213 k = 0.0167 0.0096 0.0272 ( 6525 PWs) bands (ev): -39.9743 -39.9743 -39.9652 -39.9652 -12.0600 -12.0600 -12.0178 -12.0178 -11.8830 -11.8830 -11.8829 -11.8829 -11.8394 -11.8394 -11.8393 -11.8393 2.2082 2.2082 5.1914 5.1914 5.2154 5.2154 5.2177 5.2177 5.2196 5.2196 6.3470 6.3470 6.3490 6.3490 6.7395 6.7395 6.7417 6.7417 7.3898 7.3898 9.7468 9.7468 9.7493 9.7493 9.8187 9.8187 9.8205 9.8205 10.0233 10.0233 10.4677 10.4677 10.6428 10.6428 10.6475 10.6475 12.1104 12.1104 12.2281 12.2281 12.4987 12.4987 12.5570 12.5570 12.9294 12.9294 12.9854 12.9854 13.1481 13.1481 15.5841 15.5841 15.6073 15.6073 k = 0.0083 0.0048 0.0136 ( 6523 PWs) bands (ev): -39.9743 -39.9743 -39.9652 -39.9652 -12.0600 -12.0600 -12.0178 -12.0178 -11.8830 -11.8830 -11.8829 -11.8829 -11.8394 -11.8394 -11.8394 -11.8394 2.2031 2.2031 5.1887 5.1887 5.2114 5.2114 5.2156 5.2156 5.2161 5.2161 6.3458 6.3458 6.3464 6.3464 6.7386 6.7386 6.7392 6.7392 7.3879 7.3879 9.7519 9.7519 9.7525 9.7525 9.8224 9.8224 9.8229 9.8229 10.0288 10.0288 10.4715 10.4715 10.6500 10.6500 10.6511 10.6511 12.1227 12.1227 12.2594 12.2594 12.5610 12.5610 12.5781 12.5781 12.9140 12.9140 12.9296 12.9296 13.1299 13.1299 15.5931 15.5931 15.5989 15.5989 k = 0.0000 0.0000 0.0000 ( 6567 PWs) bands (ev): -39.9743 -39.9743 -39.9652 -39.9652 -12.0601 -12.0601 -12.0179 -12.0179 -11.8831 -11.8831 -11.8831 -11.8831 -11.8395 -11.8395 -11.8395 -11.8395 2.2013 2.2013 5.1878 5.1878 5.2100 5.2100 5.2149 5.2149 5.2150 5.2150 6.3454 6.3454 6.3455 6.3455 6.7383 6.7383 6.7384 6.7384 7.3872 7.3872 9.7536 9.7536 9.7536 9.7536 9.8237 9.8237 9.8237 9.8237 10.0307 10.0307 10.4727 10.4727 10.6523 10.6523 10.6525 10.6525 12.1266 12.1266 12.2699 12.2699 12.5869 12.5869 12.5870 12.5870 12.9060 12.9060 12.9060 12.9060 13.1250 13.1250 15.5961 15.5961 15.5961 15.5961 k = 0.0000 0.0000 0.0000 ( 6567 PWs) bands (ev): -39.9743 -39.9743 -39.9652 -39.9652 -12.0601 -12.0601 -12.0179 -12.0179 -11.8831 -11.8831 -11.8831 -11.8831 -11.8395 -11.8395 -11.8395 -11.8395 2.2013 2.2013 5.1878 5.1878 5.2100 5.2100 5.2149 5.2149 5.2150 5.2150 6.3454 6.3454 6.3455 6.3455 6.7383 6.7383 6.7384 6.7384 7.3872 7.3872 9.7536 9.7536 9.7536 9.7536 9.8237 9.8237 9.8237 9.8237 10.0307 10.0307 10.4727 10.4727 10.6523 10.6523 10.6525 10.6525 12.1266 12.1266 12.2699 12.2699 12.5869 12.5869 12.5870 12.5870 12.9060 12.9060 12.9060 12.9060 13.1250 13.1250 15.5961 15.5961 15.5961 15.5961 k = 0.0135 0.0078 0.0055 ( 6522 PWs) bands (ev): -39.9743 -39.9743 -39.9652 -39.9652 -12.0600 -12.0600 -12.0178 -12.0178 -11.8830 -11.8830 -11.8829 -11.8829 -11.8394 -11.8394 -11.8394 -11.8394 2.2030 2.2030 5.1887 5.1887 5.2114 5.2114 5.2157 5.2157 5.2161 5.2161 6.3460 6.3460 6.3462 6.3462 6.7386 6.7386 6.7392 6.7392 7.3879 7.3879 9.7520 9.7520 9.7525 9.7525 9.8226 9.8226 9.8228 9.8228 10.0288 10.0288 10.4715 10.4715 10.6500 10.6500 10.6512 10.6512 12.1227 12.1227 12.2595 12.2595 12.5624 12.5624 12.5772 12.5772 12.9146 12.9146 12.9285 12.9285 13.1299 13.1299 15.5953 15.5953 15.5967 15.5967 k = 0.0270 0.0156 0.0110 ( 6519 PWs) bands (ev): -39.9743 -39.9743 -39.9652 -39.9652 -12.0600 -12.0600 -12.0178 -12.0178 -11.8830 -11.8830 -11.8829 -11.8829 -11.8394 -11.8394 -11.8393 -11.8393 2.2081 2.2081 5.1913 5.1913 5.2154 5.2154 5.2178 5.2178 5.2194 5.2194 6.3476 6.3476 6.3484 6.3484 6.7394 6.7394 6.7417 6.7417 7.3898 7.3898 9.7469 9.7469 9.7491 9.7491 9.8194 9.8194 9.8201 9.8201 10.0234 10.0234 10.4678 10.4678 10.6429 10.6429 10.6476 10.6476 12.1106 12.1106 12.2280 12.2280 12.5026 12.5026 12.5553 12.5553 12.9297 12.9297 12.9826 12.9826 13.1489 13.1489 15.5929 15.5929 15.5985 15.5985 k = 0.0405 0.0234 0.0166 ( 6519 PWs) bands (ev): -39.9742 -39.9742 -39.9652 -39.9652 -12.0599 -12.0599 -12.0179 -12.0179 -11.8831 -11.8831 -11.8828 -11.8828 -11.8395 -11.8395 -11.8393 -11.8393 2.2166 2.2166 5.1955 5.1955 5.2215 5.2215 5.2222 5.2222 5.2249 5.2249 6.3502 6.3502 6.3520 6.3520 6.7408 6.7408 6.7460 6.7460 7.3929 7.3929 9.7377 9.7377 9.7431 9.7431 9.8145 9.8145 9.8161 9.8161 10.0147 10.0147 10.4613 10.4613 10.6317 10.6317 10.6416 10.6416 12.0884 12.0884 12.1767 12.1767 12.4256 12.4256 12.5329 12.5329 12.9340 12.9340 13.0500 13.0500 13.1893 13.1893 15.5890 15.5890 15.6015 15.6015 k = 0.0541 0.0312 0.0221 ( 6519 PWs) bands (ev): -39.9742 -39.9742 -39.9652 -39.9652 -12.0599 -12.0599 -12.0181 -12.0181 -11.8831 -11.8831 -11.8826 -11.8826 -11.8396 -11.8396 -11.8392 -11.8392 2.2285 2.2285 5.2010 5.2010 5.2273 5.2273 5.2314 5.2314 5.2327 5.2327 6.3539 6.3539 6.3571 6.3571 6.7426 6.7426 6.7520 6.7520 7.3974 7.3974 9.7231 9.7231 9.7340 9.7340 9.8087 9.8087 9.8112 9.8112 10.0031 10.0031 10.4515 10.4515 10.6172 10.6172 10.6332 10.6332 12.0512 12.0512 12.1119 12.1119 12.3403 12.3403 12.5155 12.5155 12.9234 12.9234 13.1217 13.1217 13.2495 13.2495 15.5841 15.5841 15.6059 15.6059 k = 0.0676 0.0390 0.0276 ( 6513 PWs) bands (ev): -39.9742 -39.9742 -39.9653 -39.9653 -12.0598 -12.0598 -12.0182 -12.0182 -11.8832 -11.8832 -11.8823 -11.8823 -11.8398 -11.8398 -11.8391 -11.8391 2.2437 2.2437 5.2073 5.2073 5.2352 5.2352 5.2425 5.2425 5.2433 5.2433 6.3587 6.3587 6.3636 6.3636 6.7450 6.7450 6.7597 6.7597 7.4033 7.4033 9.7023 9.7023 9.7211 9.7211 9.8026 9.8026 9.8061 9.8061 9.9892 9.9892 10.4377 10.4377 10.6005 10.6005 10.6224 10.6224 11.9875 11.9875 12.0475 12.0475 12.2506 12.2506 12.5033 12.5033 12.9043 12.9043 13.1940 13.1940 13.3219 13.3219 15.5783 15.5783 15.6117 15.6117 k = 0.0811 0.0468 0.0331 ( 6516 PWs) bands (ev): -39.9742 -39.9742 -39.9653 -39.9653 -12.0596 -12.0596 -12.0185 -12.0185 -11.8833 -11.8833 -11.8821 -11.8821 -11.8400 -11.8400 -11.8390 -11.8390 2.2621 2.2621 5.2142 5.2142 5.2457 5.2457 5.2544 5.2544 5.2579 5.2579 6.3646 6.3646 6.3715 6.3715 6.7478 6.7478 6.7692 6.7692 7.4106 7.4106 9.6744 9.6744 9.7042 9.7042 9.7964 9.7964 9.8010 9.8010 9.9734 9.9734 10.4189 10.4189 10.5832 10.5832 10.6094 10.6094 11.8969 11.8969 11.9865 11.9865 12.1583 12.1583 12.4950 12.4950 12.8831 12.8831 13.2651 13.2651 13.4007 13.4007 15.5719 15.5719 15.6191 15.6191 k = 0.0946 0.0546 0.0386 ( 6516 PWs) bands (ev): -39.9741 -39.9741 -39.9653 -39.9653 -12.0595 -12.0595 -12.0188 -12.0188 -11.8834 -11.8834 -11.8817 -11.8817 -11.8403 -11.8403 -11.8389 -11.8389 2.2837 2.2837 5.2216 5.2216 5.2588 5.2588 5.2683 5.2683 5.2752 5.2752 6.3715 6.3715 6.3809 6.3809 6.7511 6.7511 6.7806 6.7806 7.4193 7.4193 9.6391 9.6391 9.6830 9.6830 9.7902 9.7902 9.7963 9.7963 9.9561 9.9561 10.3943 10.3943 10.5667 10.5667 10.5941 10.5941 11.7912 11.7912 11.9192 11.9192 12.0645 12.0645 12.4894 12.4894 12.8642 12.8642 13.3339 13.3339 13.4824 13.4824 15.5653 15.5653 15.6282 15.6282 k = 0.1081 0.0624 0.0441 ( 6528 PWs) bands (ev): -39.9741 -39.9741 -39.9654 -39.9654 -12.0593 -12.0593 -12.0192 -12.0192 -11.8835 -11.8835 -11.8814 -11.8814 -11.8406 -11.8406 -11.8388 -11.8388 2.3085 2.3085 5.2295 5.2295 5.2743 5.2743 5.2841 5.2841 5.2950 5.2950 6.3796 6.3796 6.3916 6.3916 6.7548 6.7548 6.7938 6.7938 7.4296 7.4296 9.5965 9.5965 9.6577 9.6577 9.7835 9.7835 9.7918 9.7918 9.9375 9.9375 10.3636 10.3636 10.5519 10.5519 10.5765 10.5765 11.6754 11.6754 11.8429 11.8429 11.9699 11.9699 12.4855 12.4855 12.8500 12.8500 13.3998 13.3998 13.5650 13.5650 15.5586 15.5586 15.6392 15.6392 k = 0.1216 0.0702 0.0497 ( 6522 PWs) bands (ev): -39.9740 -39.9740 -39.9654 -39.9654 -12.0591 -12.0591 -12.0195 -12.0195 -11.8836 -11.8836 -11.8809 -11.8809 -11.8410 -11.8410 -11.8387 -11.8387 2.3363 2.3363 5.2381 5.2381 5.2921 5.2921 5.3018 5.3018 5.3173 5.3173 6.3888 6.3888 6.4038 6.4038 6.7589 6.7589 6.8090 6.8090 7.4416 7.4416 9.5470 9.5470 9.6283 9.6283 9.7761 9.7761 9.7875 9.7875 9.9178 9.9178 10.3273 10.3273 10.5389 10.5389 10.5566 10.5566 11.5514 11.5514 11.7584 11.7584 11.8752 11.8752 12.4826 12.4826 12.8413 12.8413 13.4624 13.4624 13.6471 13.6471 15.5521 15.5521 15.6521 15.6521 k = 0.1351 0.0780 0.0552 ( 6516 PWs) bands (ev): -39.9740 -39.9740 -39.9655 -39.9655 -12.0588 -12.0588 -12.0199 -12.0199 -11.8837 -11.8837 -11.8804 -11.8804 -11.8413 -11.8413 -11.8385 -11.8385 2.3670 2.3670 5.2476 5.2476 5.3119 5.3119 5.3211 5.3211 5.3421 5.3421 6.3991 6.3991 6.4173 6.4173 6.7633 6.7633 6.8261 6.8261 7.4552 7.4552 9.4909 9.4909 9.5952 9.5952 9.7672 9.7672 9.7833 9.7833 9.8969 9.8969 10.2865 10.2865 10.5276 10.5276 10.5342 10.5342 11.4200 11.4200 11.6677 11.6677 11.7809 11.7809 12.4805 12.4805 12.8378 12.8378 13.5212 13.5212 13.7280 13.7280 15.5460 15.5460 15.6671 15.6671 k = 0.1486 0.0858 0.0607 ( 6522 PWs) bands (ev): -39.9739 -39.9739 -39.9655 -39.9655 -12.0586 -12.0586 -12.0204 -12.0204 -11.8839 -11.8839 -11.8799 -11.8799 -11.8417 -11.8417 -11.8384 -11.8384 2.4006 2.4006 5.2580 5.2580 5.3335 5.3335 5.3419 5.3419 5.3694 5.3694 6.4107 6.4107 6.4322 6.4322 6.7681 6.7681 6.8452 6.8452 7.4706 7.4706 9.4288 9.4288 9.5584 9.5584 9.7561 9.7561 9.7790 9.7790 9.8748 9.8748 10.2426 10.2426 10.5093 10.5093 10.5172 10.5172 11.2825 11.2825 11.5730 11.5730 11.6875 11.6875 12.4788 12.4788 12.8389 12.8389 13.5761 13.5761 13.8070 13.8070 15.5404 15.5404 15.6841 15.6841 k = 0.1622 0.0936 0.0662 ( 6534 PWs) bands (ev): -39.9739 -39.9739 -39.9656 -39.9656 -12.0584 -12.0584 -12.0209 -12.0209 -11.8840 -11.8840 -11.8794 -11.8794 -11.8422 -11.8422 -11.8383 -11.8383 2.4368 2.4368 5.2694 5.2694 5.3569 5.3569 5.3642 5.3642 5.3991 5.3991 6.4235 6.4235 6.4486 6.4486 6.7732 6.7732 6.8664 6.8664 7.4879 7.4879 9.3613 9.3613 9.5183 9.5183 9.7412 9.7412 9.7746 9.7746 9.8519 9.8519 10.1971 10.1971 10.4817 10.4817 10.5069 10.5069 11.1401 11.1401 11.4759 11.4759 11.5958 11.5958 12.4775 12.4775 12.8438 12.8438 13.6268 13.6268 13.8836 13.8836 15.5355 15.5355 15.7033 15.7033 k = 0.1757 0.1014 0.0717 ( 6534 PWs) bands (ev): -39.9738 -39.9738 -39.9657 -39.9657 -12.0581 -12.0581 -12.0214 -12.0214 -11.8842 -11.8842 -11.8789 -11.8789 -11.8426 -11.8426 -11.8381 -11.8381 2.4755 2.4755 5.2820 5.2820 5.3817 5.3817 5.3877 5.3877 5.4310 5.4310 6.4376 6.4376 6.4664 6.4664 6.7787 6.7787 6.8896 6.8896 7.5070 7.5070 9.2888 9.2888 9.4749 9.4749 9.7205 9.7205 9.7699 9.7699 9.8291 9.8291 10.1516 10.1516 10.4510 10.4510 10.4953 10.4953 10.9953 10.9953 11.3778 11.3778 11.5063 11.5063 12.4763 12.4763 12.8514 12.8514 13.6734 13.6734 13.9573 13.9573 15.5314 15.5314 15.7244 15.7244 k = 0.1892 0.1092 0.0772 ( 6540 PWs) bands (ev): -39.9737 -39.9737 -39.9658 -39.9658 -12.0578 -12.0578 -12.0219 -12.0219 -11.8843 -11.8843 -11.8783 -11.8783 -11.8431 -11.8431 -11.8380 -11.8380 2.5166 2.5166 5.2959 5.2959 5.4078 5.4078 5.4123 5.4123 5.4652 5.4652 6.4531 6.4531 6.4856 6.4856 6.7845 6.7845 6.9148 6.9148 7.5282 7.5282 9.2120 9.2120 9.4287 9.4287 9.6915 9.6915 9.7648 9.7648 9.8074 9.8074 10.1076 10.1076 10.4169 10.4169 10.4796 10.4796 10.8519 10.8519 11.2797 11.2797 11.4198 11.4198 12.4753 12.4753 12.8610 12.8610 13.7157 13.7157 14.0278 14.0278 15.5283 15.5283 15.7475 15.7475 k = 0.2027 0.1170 0.0828 ( 6540 PWs) bands (ev): -39.9736 -39.9736 -39.9658 -39.9658 -12.0574 -12.0574 -12.0225 -12.0225 -11.8844 -11.8844 -11.8776 -11.8776 -11.8436 -11.8436 -11.8379 -11.8379 2.5598 2.5598 5.3111 5.3111 5.4350 5.4350 5.4378 5.4378 5.5015 5.5015 6.4700 6.4700 6.5065 6.5065 6.7907 6.7907 6.9422 6.9422 7.5513 7.5513 9.1312 9.1312 9.3797 9.3797 9.6525 9.6525 9.7592 9.7592 9.7876 9.7876 10.0660 10.0660 10.3792 10.3792 10.4524 10.4524 10.7188 10.7188 11.1823 11.1823 11.3371 11.3371 12.4744 12.4744 12.8720 12.8720 13.7538 13.7538 14.0947 14.0947 15.5262 15.5262 15.7724 15.7724 k = 0.2162 0.1248 0.0883 ( 6534 PWs) bands (ev): -39.9736 -39.9736 -39.9659 -39.9659 -12.0571 -12.0571 -12.0231 -12.0231 -11.8846 -11.8846 -11.8769 -11.8769 -11.8441 -11.8441 -11.8377 -11.8377 2.6049 2.6049 5.3278 5.3278 5.4631 5.4631 5.4639 5.4639 5.5398 5.5398 6.4884 6.4884 6.5289 6.5289 6.7973 6.7973 6.9716 6.9716 7.5764 7.5764 9.0470 9.0470 9.3282 9.3282 9.6033 9.6033 9.7531 9.7531 9.7692 9.7692 10.0270 10.0270 10.3374 10.3374 10.3949 10.3949 10.6165 10.6165 11.0863 11.0863 11.2588 11.2588 12.4736 12.4736 12.8839 12.8839 13.7878 13.7878 14.1578 14.1578 15.5254 15.5254 15.7987 15.7987 k = 0.2297 0.1326 0.0938 ( 6540 PWs) bands (ev): -39.9735 -39.9735 -39.9660 -39.9660 -12.0568 -12.0568 -12.0237 -12.0237 -11.8848 -11.8848 -11.8763 -11.8763 -11.8446 -11.8446 -11.8375 -11.8375 2.6517 2.6517 5.3460 5.3460 5.4904 5.4904 5.4918 5.4918 5.5799 5.5799 6.5084 6.5084 6.5530 6.5530 6.8044 6.8044 7.0031 7.0031 7.6034 7.6034 8.9597 8.9597 9.2746 9.2746 9.5449 9.5449 9.7460 9.7460 9.7506 9.7506 9.9888 9.9888 10.2913 10.2913 10.2936 10.2936 10.5616 10.5616 10.9922 10.9922 11.1858 11.1858 12.4728 12.4728 12.8962 12.8962 13.8179 13.8179 14.2168 14.2168 15.5258 15.5258 15.8262 15.8262 k = 0.2432 0.1404 0.0993 ( 6540 PWs) bands (ev): -39.9734 -39.9734 -39.9661 -39.9661 -12.0565 -12.0565 -12.0243 -12.0243 -11.8850 -11.8850 -11.8756 -11.8756 -11.8451 -11.8451 -11.8373 -11.8373 2.6999 2.6999 5.3659 5.3659 5.5171 5.5171 5.5209 5.5209 5.6218 5.6218 6.5300 6.5300 6.5788 6.5788 6.8121 6.8121 7.0366 7.0366 7.6324 7.6324 8.8700 8.8700 9.2190 9.2190 9.4788 9.4788 9.7303 9.7303 9.7379 9.7379 9.9465 9.9465 10.1729 10.1729 10.2409 10.2409 10.5362 10.5362 10.9007 10.9007 11.1185 11.1185 12.4721 12.4721 12.9085 12.9085 13.8443 13.8443 14.2715 14.2715 15.5275 15.5275 15.8546 15.8546 k = 0.2568 0.1482 0.1048 ( 6531 PWs) bands (ev): -39.9733 -39.9733 -39.9662 -39.9662 -12.0561 -12.0561 -12.0249 -12.0249 -11.8851 -11.8851 -11.8748 -11.8748 -11.8457 -11.8457 -11.8371 -11.8371 2.7493 2.7493 5.3876 5.3876 5.5438 5.5438 5.5501 5.5501 5.6652 5.6652 6.5532 6.5532 6.6065 6.6065 6.8205 6.8205 7.0719 7.0719 7.6632 7.6632 8.7781 8.7781 9.1619 9.1619 9.4062 9.4062 9.7053 9.7053 9.7281 9.7281 9.8864 9.8864 10.0669 10.0669 10.1866 10.1866 10.5218 10.5218 10.8124 10.8124 11.0575 11.0575 12.4714 12.4714 12.9207 12.9207 13.8673 13.8673 14.3219 14.3219 15.5306 15.5306 15.8835 15.8835 k = 0.2703 0.1560 0.1103 ( 6534 PWs) bands (ev): -39.9732 -39.9732 -39.9663 -39.9663 -12.0557 -12.0557 -12.0255 -12.0255 -11.8853 -11.8853 -11.8742 -11.8742 -11.8462 -11.8462 -11.8370 -11.8370 2.7994 2.7994 5.4113 5.4113 5.5702 5.5702 5.5792 5.5792 5.7099 5.7099 6.5782 6.5782 6.6361 6.6361 6.8298 6.8298 7.1091 7.1091 7.6956 7.6956 8.6845 8.6845 9.1034 9.1034 9.3283 9.3283 9.6679 9.6679 9.7160 9.7160 9.7979 9.7979 10.0006 10.0006 10.1292 10.1292 10.5112 10.5112 10.7284 10.7284 11.0028 11.0028 12.4708 12.4708 12.9326 12.9326 13.8870 13.8870 14.3678 14.3678 15.5349 15.5349 15.9126 15.9126 k = 0.2838 0.1638 0.1159 ( 6543 PWs) bands (ev): -39.9731 -39.9731 -39.9664 -39.9664 -12.0554 -12.0554 -12.0261 -12.0261 -11.8855 -11.8855 -11.8735 -11.8735 -11.8468 -11.8468 -11.8368 -11.8368 2.8500 2.8500 5.4370 5.4370 5.5961 5.5961 5.6080 5.6080 5.7556 5.7556 6.6048 6.6048 6.6675 6.6675 6.8402 6.8402 7.1480 7.1480 7.7294 7.7294 8.5898 8.5898 9.0441 9.0441 9.2462 9.2462 9.5932 9.5932 9.7005 9.7005 9.7177 9.7177 9.9643 9.9643 10.0702 10.0702 10.5006 10.5006 10.6506 10.6506 10.9543 10.9543 12.4702 12.4702 12.9439 12.9439 13.9039 13.9039 14.4092 14.4092 15.5405 15.5405 15.9416 15.9416 k = 0.2973 0.1716 0.1214 ( 6537 PWs) bands (ev): -39.9730 -39.9730 -39.9665 -39.9665 -12.0550 -12.0550 -12.0267 -12.0267 -11.8856 -11.8856 -11.8728 -11.8728 -11.8473 -11.8473 -11.8366 -11.8366 2.9006 2.9006 5.4648 5.4648 5.6212 5.6212 5.6362 5.6362 5.8021 5.8021 6.6331 6.6331 6.7010 6.7010 6.8519 6.8519 7.1883 7.1883 7.7642 7.7642 8.4945 8.4945 8.9841 8.9841 9.1606 9.1606 9.4754 9.4754 9.6693 9.6693 9.6797 9.6797 9.9413 9.9413 10.0122 10.0122 10.4844 10.4844 10.5841 10.5841 10.9117 10.9117 12.4696 12.4696 12.9546 12.9546 13.9181 13.9181 14.4463 14.4463 15.5473 15.5473 15.9700 15.9700 k = 0.3108 0.1794 0.1269 ( 6537 PWs) bands (ev): -39.9729 -39.9729 -39.9666 -39.9666 -12.0546 -12.0546 -12.0273 -12.0273 -11.8858 -11.8858 -11.8721 -11.8721 -11.8479 -11.8479 -11.8364 -11.8364 2.9509 2.9509 5.4948 5.4948 5.6453 5.6453 5.6637 5.6637 5.8490 5.8490 6.6627 6.6627 6.7363 6.7363 6.8651 6.8651 7.2300 7.2300 7.7993 7.7993 8.3996 8.3996 8.9241 8.9241 9.0723 9.0723 9.3445 9.3445 9.6303 9.6303 9.6512 9.6512 9.9245 9.9245 9.9581 9.9581 10.4511 10.4511 10.5408 10.5408 10.8746 10.8746 12.4691 12.4691 12.9646 12.9646 13.9300 13.9300 14.4793 14.4793 15.5550 15.5550 15.9977 15.9977 k = 0.3243 0.1872 0.1324 ( 6534 PWs) bands (ev): -39.9728 -39.9728 -39.9667 -39.9667 -12.0542 -12.0542 -12.0280 -12.0280 -11.8859 -11.8859 -11.8713 -11.8713 -11.8485 -11.8485 -11.8363 -11.8363 3.0004 3.0004 5.5271 5.5271 5.6684 5.6684 5.6903 5.6903 5.8959 5.8959 6.6936 6.6936 6.7736 6.7736 6.8800 6.8800 7.2726 7.2726 7.8336 7.8336 8.3061 8.3061 8.8643 8.8643 8.9820 8.9820 9.2137 9.2137 9.5908 9.5908 9.6126 9.6126 9.9115 9.9115 9.9116 9.9116 10.3997 10.3997 10.5218 10.5218 10.8423 10.8423 12.4686 12.4686 12.9739 12.9739 13.9399 13.9399 14.5082 14.5082 15.5634 15.5634 16.0242 16.0242 k = 0.3378 0.1951 0.1379 ( 6549 PWs) bands (ev): -39.9727 -39.9727 -39.9668 -39.9668 -12.0539 -12.0539 -12.0286 -12.0286 -11.8861 -11.8861 -11.8707 -11.8707 -11.8491 -11.8491 -11.8361 -11.8361 3.0487 3.0487 5.5615 5.5615 5.6901 5.6901 5.7161 5.7161 5.9423 5.9423 6.7254 6.7254 6.8125 6.8125 6.8968 6.8968 7.3159 7.3159 7.8653 7.8653 8.2161 8.2161 8.8055 8.8055 8.8906 8.8906 9.0873 9.0873 9.5481 9.5481 9.5625 9.5625 9.8746 9.8746 9.9009 9.9009 10.3446 10.3446 10.5131 10.5131 10.8144 10.8144 12.4681 12.4681 12.9824 12.9824 13.9479 13.9479 14.5334 14.5334 15.5724 15.5724 16.0494 16.0494 k = 0.3514 0.2029 0.1434 ( 6531 PWs) bands (ev): -39.9726 -39.9726 -39.9669 -39.9669 -12.0535 -12.0535 -12.0291 -12.0291 -11.8862 -11.8862 -11.8700 -11.8700 -11.8496 -11.8496 -11.8359 -11.8359 3.0954 3.0954 5.5978 5.5978 5.7103 5.7103 5.7411 5.7411 5.9876 5.9876 6.7576 6.7576 6.8531 6.8531 6.9155 6.9155 7.3593 7.3593 7.8902 7.8902 8.1334 8.1334 8.7482 8.7482 8.7998 8.7998 8.9675 8.9675 9.5014 9.5014 9.5022 9.5022 9.8471 9.8471 9.8922 9.8922 10.2928 10.2928 10.5080 10.5080 10.7902 10.7902 12.4677 12.4677 12.9902 12.9902 13.9545 13.9545 14.5551 14.5551 15.5817 15.5817 16.0731 16.0731 k = 0.3649 0.2107 0.1490 ( 6519 PWs) bands (ev): -39.9725 -39.9725 -39.9669 -39.9669 -12.0531 -12.0531 -12.0297 -12.0297 -11.8862 -11.8862 -11.8693 -11.8693 -11.8501 -11.8501 -11.8358 -11.8358 3.1399 3.1399 5.6355 5.6355 5.7290 5.7290 5.7657 5.7657 6.0314 6.0314 6.7896 6.7896 6.8949 6.8949 6.9359 6.9359 7.4024 7.4024 7.8984 7.8984 8.0673 8.0673 8.6931 8.6931 8.7121 8.7121 8.8553 8.8553 9.4344 9.4344 9.4505 9.4505 9.8270 9.8270 9.8849 9.8849 10.2463 10.2463 10.5044 10.5044 10.7694 10.7694 12.4673 12.4673 12.9972 12.9972 13.9597 13.9597 14.5737 14.5737 15.5911 15.5911 16.0950 16.0950 k = 0.3784 0.2185 0.1545 ( 6526 PWs) bands (ev): -39.9724 -39.9724 -39.9670 -39.9670 -12.0527 -12.0527 -12.0302 -12.0302 -11.8864 -11.8864 -11.8686 -11.8686 -11.8507 -11.8507 -11.8357 -11.8357 3.1819 3.1819 5.6734 5.6734 5.7460 5.7460 5.7908 5.7908 6.0729 6.0729 6.8206 6.8206 6.9377 6.9377 6.9578 6.9578 7.4442 7.4442 7.8750 7.8750 8.0313 8.0313 8.6312 8.6312 8.6412 8.6412 8.7517 8.7517 9.3621 9.3621 9.3957 9.3957 9.8124 9.8124 9.8788 9.8788 10.2056 10.2056 10.5017 10.5017 10.7516 10.7516 12.4669 12.4669 13.0034 13.0034 13.9638 13.9638 14.5894 14.5894 15.6004 15.6004 16.1151 16.1151 k = 0.3919 0.2263 0.1600 ( 6535 PWs) bands (ev): -39.9723 -39.9723 -39.9671 -39.9671 -12.0524 -12.0524 -12.0308 -12.0308 -11.8865 -11.8865 -11.8681 -11.8681 -11.8512 -11.8512 -11.8356 -11.8356 3.2208 3.2208 5.7097 5.7097 5.7613 5.7613 5.8179 5.8179 6.1116 6.1116 6.8488 6.8488 6.9808 6.9808 6.9809 6.9809 7.4841 7.4841 7.8267 7.8267 8.0165 8.0165 8.5605 8.5605 8.5934 8.5934 8.6591 8.6591 9.2880 9.2880 9.3374 9.3374 9.8014 9.8014 9.8736 9.8736 10.1707 10.1707 10.4996 10.4996 10.7363 10.7363 12.4666 12.4666 13.0090 13.0090 13.9670 13.9670 14.6026 14.6026 15.6092 15.6092 16.1333 16.1333 k = 0.4054 0.2341 0.1655 ( 6529 PWs) bands (ev): -39.9722 -39.9722 -39.9672 -39.9672 -12.0521 -12.0521 -12.0312 -12.0312 -11.8866 -11.8866 -11.8675 -11.8675 -11.8517 -11.8517 -11.8354 -11.8354 3.2563 3.2563 5.7419 5.7419 5.7748 5.7748 5.8490 5.8490 6.1469 6.1469 6.8714 6.8714 7.0056 7.0056 7.0238 7.0238 7.5208 7.5208 7.7761 7.7761 7.9984 7.9984 8.4965 8.4965 8.5510 8.5510 8.5875 8.5875 9.2142 9.2142 9.2765 9.2765 9.7931 9.7931 9.8693 9.8693 10.1413 10.1413 10.4979 10.4979 10.7234 10.7234 12.4663 12.4663 13.0137 13.0137 13.9695 13.9695 14.6135 14.6135 15.6175 15.6175 16.1494 16.1494 k = 0.4189 0.2419 0.1710 ( 6520 PWs) bands (ev): -39.9722 -39.9722 -39.9673 -39.9673 -12.0518 -12.0518 -12.0316 -12.0316 -11.8866 -11.8866 -11.8669 -11.8669 -11.8521 -11.8521 -11.8354 -11.8354 3.2879 3.2879 5.7679 5.7679 5.7865 5.7865 5.8852 5.8852 6.1781 6.1781 6.8844 6.8844 7.0335 7.0335 7.0658 7.0658 7.5533 7.5533 7.7352 7.7352 7.9662 7.9662 8.4257 8.4257 8.5150 8.5150 8.5531 8.5531 9.1426 9.1426 9.2138 9.2138 9.7867 9.7867 9.8657 9.8657 10.1170 10.1170 10.4965 10.4965 10.7126 10.7126 12.4660 12.4660 13.0178 13.0178 13.9713 13.9713 14.6225 14.6225 15.6250 15.6250 16.1635 16.1635 k = 0.4324 0.2497 0.1765 ( 6520 PWs) bands (ev): -39.9721 -39.9721 -39.9673 -39.9673 -12.0516 -12.0516 -12.0320 -12.0320 -11.8867 -11.8867 -11.8664 -11.8664 -11.8525 -11.8525 -11.8353 -11.8353 3.3154 3.3154 5.7875 5.7875 5.7964 5.7964 5.9256 5.9256 6.2051 6.2051 6.8847 6.8847 7.0660 7.0660 7.1056 7.1056 7.5805 7.5805 7.7082 7.7082 7.9216 7.9216 8.3487 8.3487 8.4866 8.4866 8.5533 8.5533 9.0750 9.0750 9.1504 9.1504 9.7817 9.7817 9.8627 9.8627 10.0973 10.0973 10.4954 10.4954 10.7037 10.7037 12.4658 12.4658 13.0212 13.0212 13.9727 13.9727 14.6296 14.6296 15.6317 15.6317 16.1754 16.1754 k = 0.4459 0.2575 0.1821 ( 6526 PWs) bands (ev): -39.9721 -39.9721 -39.9674 -39.9674 -12.0513 -12.0513 -12.0323 -12.0323 -11.8867 -11.8867 -11.8660 -11.8660 -11.8529 -11.8529 -11.8353 -11.8353 3.3382 3.3382 5.8019 5.8019 5.8045 5.8045 5.9671 5.9671 6.2273 6.2273 6.8727 6.8727 7.1025 7.1025 7.1420 7.1420 7.6016 7.6016 7.6944 7.6944 7.8727 7.8727 8.2730 8.2730 8.4663 8.4663 8.5750 8.5750 9.0135 9.0135 9.0874 9.0874 9.7779 9.7779 9.8604 9.8604 10.0817 10.0817 10.4945 10.4945 10.6966 10.6966 12.4656 12.4656 13.0240 13.0240 13.9736 13.9736 14.6352 14.6352 15.6372 15.6372 16.1852 16.1852 k = 0.4595 0.2653 0.1876 ( 6526 PWs) bands (ev): -39.9720 -39.9720 -39.9674 -39.9674 -12.0512 -12.0512 -12.0326 -12.0326 -11.8868 -11.8868 -11.8657 -11.8657 -11.8531 -11.8531 -11.8352 -11.8352 3.3563 3.3563 5.8108 5.8108 5.8122 5.8122 6.0062 6.0062 6.2448 6.2448 6.8526 6.8526 7.1403 7.1403 7.1733 7.1733 7.6164 7.6164 7.6867 7.6867 7.8318 7.8318 8.2032 8.2032 8.4539 8.4539 8.6088 8.6088 8.9606 8.9606 9.0266 9.0266 9.7751 9.7751 9.8586 9.8586 10.0700 10.0700 10.4938 10.4938 10.6912 10.6912 12.4655 12.4655 13.0261 13.0261 13.9743 13.9743 14.6394 14.6394 15.6417 15.6417 16.1928 16.1928 k = 0.4730 0.2731 0.1931 ( 6526 PWs) bands (ev): -39.9720 -39.9720 -39.9674 -39.9674 -12.0510 -12.0510 -12.0328 -12.0328 -11.8868 -11.8868 -11.8654 -11.8654 -11.8534 -11.8534 -11.8352 -11.8352 3.3694 3.3694 5.8153 5.8153 5.8191 5.8191 6.0387 6.0387 6.2574 6.2574 6.8310 6.8310 7.1751 7.1751 7.1977 7.1977 7.6256 7.6256 7.6744 7.6744 7.8116 7.8116 8.1438 8.1438 8.4478 8.4478 8.6472 8.6472 8.9192 8.9192 8.9711 8.9711 9.7732 9.7732 9.8573 9.8573 10.0619 10.0619 10.4934 10.4934 10.6874 10.6874 12.4654 12.4654 13.0276 13.0276 13.9748 13.9748 14.6423 14.6423 15.6449 15.6449 16.1983 16.1983 k = 0.4865 0.2809 0.1986 ( 6538 PWs) bands (ev): -39.9720 -39.9720 -39.9675 -39.9675 -12.0510 -12.0510 -12.0328 -12.0328 -11.8869 -11.8869 -11.8653 -11.8653 -11.8535 -11.8535 -11.8352 -11.8352 3.3773 3.3773 5.8180 5.8180 5.8231 5.8231 6.0605 6.0605 6.2650 6.2650 6.8145 6.8145 7.2006 7.2006 7.2133 7.2133 7.6302 7.6302 7.6575 7.6575 7.8112 7.8112 8.1015 8.1015 8.4459 8.4459 8.6813 8.6813 8.8924 8.8924 8.9275 8.9275 9.7720 9.7720 9.8565 9.8565 10.0571 10.0571 10.4931 10.4931 10.6851 10.6851 12.4653 12.4653 13.0285 13.0285 13.9750 13.9750 14.6440 14.6440 15.6469 15.6469 16.2015 16.2015 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -39.9720 -39.9720 -39.9675 -39.9675 -12.0511 -12.0511 -12.0329 -12.0329 -11.8869 -11.8869 -11.8652 -11.8652 -11.8537 -11.8537 -11.8352 -11.8352 3.3799 3.3799 5.8189 5.8189 5.8245 5.8245 6.0682 6.0682 6.2676 6.2676 6.8084 6.8084 7.2102 7.2102 7.2187 7.2187 7.6316 7.6316 7.6496 7.6496 7.8142 7.8142 8.0856 8.0856 8.4456 8.4456 8.6962 8.6962 8.8832 8.8832 8.9096 8.9096 9.7717 9.7717 9.8563 9.8563 10.0555 10.0555 10.4930 10.4930 10.6844 10.6844 12.4653 12.4653 13.0288 13.0288 13.9751 13.9751 14.6446 14.6446 15.6475 15.6475 16.2026 16.2026 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -39.9720 -39.9720 -39.9675 -39.9675 -12.0511 -12.0511 -12.0329 -12.0329 -11.8869 -11.8869 -11.8652 -11.8652 -11.8537 -11.8537 -11.8352 -11.8352 3.3799 3.3799 5.8189 5.8189 5.8245 5.8245 6.0682 6.0682 6.2676 6.2676 6.8084 6.8084 7.2102 7.2102 7.2187 7.2187 7.6316 7.6316 7.6496 7.6496 7.8142 7.8142 8.0856 8.0856 8.4456 8.4456 8.6962 8.6962 8.8832 8.8832 8.9096 8.9096 9.7717 9.7717 9.8563 9.8563 10.0555 10.0555 10.4930 10.4930 10.6844 10.6844 12.4653 12.4653 13.0288 13.0288 13.9751 13.9751 14.6446 14.6446 15.6475 15.6475 16.2026 16.2026 k = 0.5048 0.2748 0.2120 ( 6532 PWs) bands (ev): -39.9720 -39.9720 -39.9675 -39.9675 -12.0510 -12.0510 -12.0329 -12.0329 -11.8869 -11.8869 -11.8652 -11.8652 -11.8536 -11.8536 -11.8352 -11.8352 3.3819 3.3819 5.8195 5.8195 5.8254 5.8254 6.0689 6.0689 6.2688 6.2688 6.8057 6.8057 7.2093 7.2093 7.2195 7.2195 7.6287 7.6287 7.6508 7.6508 7.8132 7.8132 8.0869 8.0869 8.4454 8.4454 8.6978 8.6978 8.8827 8.8827 8.9113 8.9113 9.7711 9.7711 9.8559 9.8559 10.0559 10.0559 10.4917 10.4917 10.6838 10.6838 12.4576 12.4576 13.0203 13.0203 13.9724 13.9724 14.6390 14.6390 15.6607 15.6607 16.2147 16.2147 k = 0.5096 0.2609 0.2198 ( 6534 PWs) bands (ev): -39.9720 -39.9720 -39.9675 -39.9675 -12.0509 -12.0509 -12.0329 -12.0329 -11.8869 -11.8869 -11.8652 -11.8652 -11.8537 -11.8537 -11.8352 -11.8352 3.3879 3.3879 5.8203 5.8203 5.8296 5.8296 6.0709 6.0709 6.2726 6.2726 6.7976 6.7976 7.2071 7.2071 7.2216 7.2216 7.6210 7.6210 7.6533 7.6533 7.8102 7.8102 8.0905 8.0905 8.4451 8.4451 8.7027 8.7027 8.8815 8.8815 8.9163 8.9163 9.7695 9.7695 9.8549 9.8549 10.0570 10.0570 10.4879 10.4879 10.6819 10.6819 12.4349 12.4349 12.9947 12.9947 13.9649 13.9649 14.6236 14.6236 15.6986 15.6986 16.2506 16.2506 k = 0.5144 0.2470 0.2277 ( 6535 PWs) bands (ev): -39.9719 -39.9719 -39.9675 -39.9675 -12.0509 -12.0509 -12.0330 -12.0330 -11.8869 -11.8869 -11.8651 -11.8651 -11.8537 -11.8537 -11.8352 -11.8352 3.3979 3.3979 5.8203 5.8203 5.8379 5.8379 6.0743 6.0743 6.2789 6.2789 6.7844 6.7844 7.2036 7.2036 7.2247 7.2247 7.6095 7.6095 7.6564 7.6564 7.8058 7.8058 8.0956 8.0956 8.4449 8.4449 8.7105 8.7105 8.8802 8.8802 8.9239 8.9239 9.7667 9.7667 9.8533 9.8533 10.0590 10.0590 10.4814 10.4814 10.6789 10.6789 12.3980 12.3980 12.9522 12.9522 13.9537 13.9537 14.6016 14.6016 15.7570 15.7570 16.3093 16.3093 k = 0.5192 0.2332 0.2355 ( 6532 PWs) bands (ev): -39.9719 -39.9719 -39.9675 -39.9675 -12.0508 -12.0508 -12.0331 -12.0331 -11.8869 -11.8869 -11.8650 -11.8650 -11.8538 -11.8538 -11.8352 -11.8352 3.4118 3.4118 5.8196 5.8196 5.8499 5.8499 6.0790 6.0790 6.2877 6.2877 6.7661 6.7661 7.1991 7.1991 7.2287 7.2287 7.5950 7.5950 7.6598 7.6598 7.8007 7.8007 8.1011 8.1011 8.4452 8.4452 8.7207 8.7207 8.8790 8.8790 8.9337 8.9337 9.7626 9.7626 9.8512 9.8512 10.0618 10.0618 10.4722 10.4722 10.6751 10.6751 12.3479 12.3479 12.8936 12.8936 13.9403 13.9403 14.5763 14.5763 15.8310 15.8310 16.3889 16.3889 k = 0.5240 0.2193 0.2434 ( 6532 PWs) bands (ev): -39.9719 -39.9719 -39.9675 -39.9675 -12.0507 -12.0507 -12.0332 -12.0332 -11.8869 -11.8869 -11.8648 -11.8648 -11.8539 -11.8539 -11.8352 -11.8352 3.4297 3.4297 5.8185 5.8185 5.8653 5.8653 6.0851 6.0851 6.2989 6.2989 6.7433 6.7433 7.1934 7.1934 7.2333 7.2333 7.5780 7.5780 7.6634 7.6634 7.7953 7.7953 8.1062 8.1062 8.4464 8.4464 8.7330 8.7330 8.8779 8.8779 8.9455 8.9455 9.7570 9.7570 9.8487 9.8487 10.0655 10.0655 10.4601 10.4601 10.6707 10.6707 12.2862 12.2862 12.8202 12.8202 13.9262 13.9262 14.5503 14.5503 15.9166 15.9166 16.4869 16.4869 k = 0.5288 0.2054 0.2512 ( 6534 PWs) bands (ev): -39.9719 -39.9719 -39.9676 -39.9676 -12.0506 -12.0506 -12.0334 -12.0334 -11.8870 -11.8870 -11.8646 -11.8646 -11.8541 -11.8541 -11.8351 -11.8351 3.4514 3.4514 5.8167 5.8167 5.8840 5.8840 6.0925 6.0925 6.3127 6.3127 6.7162 6.7162 7.1867 7.1867 7.2385 7.2385 7.5593 7.5593 7.6671 7.6671 7.7900 7.7900 8.1101 8.1101 8.4487 8.4487 8.7466 8.7466 8.8770 8.8770 8.9588 8.9588 9.7499 9.7499 9.8458 9.8458 10.0701 10.0701 10.4451 10.4451 10.6658 10.6658 12.2144 12.2144 12.7342 12.7342 13.9122 13.9122 14.5253 14.5253 16.0111 16.0111 16.6003 16.6003 k = 0.5337 0.1915 0.2591 ( 6534 PWs) bands (ev): -39.9718 -39.9718 -39.9676 -39.9676 -12.0505 -12.0505 -12.0336 -12.0336 -11.8870 -11.8870 -11.8644 -11.8644 -11.8542 -11.8542 -11.8351 -11.8351 3.4769 3.4769 5.8142 5.8142 5.9059 5.9059 6.1013 6.1013 6.3288 6.3288 6.6856 6.6856 7.1788 7.1788 7.2441 7.2441 7.5394 7.5394 7.6708 7.6708 7.7851 7.7851 8.1124 8.1124 8.4521 8.4521 8.7611 8.7611 8.8764 8.8764 8.9736 8.9736 9.7411 9.7411 9.8428 9.8428 10.0755 10.0755 10.4271 10.4271 10.6608 10.6608 12.1338 12.1338 12.6381 12.6381 13.8985 13.8985 14.5021 14.5021 16.1128 16.1128 16.7256 16.7256 k = 0.5385 0.1776 0.2669 ( 6539 PWs) bands (ev): -39.9718 -39.9718 -39.9677 -39.9677 -12.0504 -12.0504 -12.0338 -12.0338 -11.8870 -11.8870 -11.8642 -11.8642 -11.8544 -11.8544 -11.8351 -11.8351 3.5061 3.5061 5.8107 5.8107 5.9308 5.9308 6.1117 6.1117 6.3472 6.3472 6.6520 6.6520 7.1699 7.1699 7.2498 7.2498 7.5189 7.5189 7.6743 7.6743 7.7807 7.7807 8.1131 8.1131 8.4568 8.4568 8.7758 8.7758 8.8763 8.8763 8.9894 8.9894 9.7306 9.7306 9.8396 9.8396 10.0816 10.0816 10.4062 10.4062 10.6556 10.6556 12.0460 12.0460 12.5350 12.5350 13.8852 13.8852 14.4810 14.4810 16.2207 16.2207 16.8596 16.8596 k = 0.5433 0.1638 0.2748 ( 6538 PWs) bands (ev): -39.9717 -39.9717 -39.9677 -39.9677 -12.0502 -12.0502 -12.0340 -12.0340 -11.8870 -11.8870 -11.8640 -11.8640 -11.8546 -11.8546 -11.8351 -11.8351 3.5389 3.5389 5.8060 5.8060 5.9582 5.9582 6.1238 6.1238 6.3674 6.3674 6.6166 6.6166 7.1601 7.1601 7.2554 7.2554 7.4983 7.4983 7.6774 7.6774 7.7770 7.7770 8.1122 8.1122 8.4623 8.4623 8.7897 8.7897 8.8771 8.8771 9.0058 9.0058 9.7182 9.7182 9.8364 9.8364 10.0883 10.0883 10.3826 10.3826 10.6503 10.6503 11.9523 11.9523 12.4277 12.4277 13.8720 13.8720 14.4619 14.4619 16.3342 16.3342 16.9992 16.9992 k = 0.5481 0.1499 0.2826 ( 6539 PWs) bands (ev): -39.9717 -39.9717 -39.9678 -39.9678 -12.0501 -12.0501 -12.0342 -12.0342 -11.8870 -11.8870 -11.8638 -11.8638 -11.8548 -11.8548 -11.8351 -11.8351 3.5751 3.5751 5.7997 5.7997 5.9878 5.9878 6.1378 6.1378 6.3888 6.3888 6.5808 6.5808 7.1492 7.1492 7.2608 7.2608 7.4777 7.4777 7.6799 7.6799 7.7741 7.7741 8.1102 8.1102 8.4686 8.4686 8.8016 8.8016 8.8796 8.8796 9.0225 9.0225 9.7042 9.7042 9.8331 9.8331 10.0951 10.0951 10.3565 10.3565 10.6446 10.6446 11.8541 11.8541 12.3190 12.3190 13.8589 13.8589 14.4449 14.4449 16.4528 16.4528 17.1414 17.1414 k = 0.5529 0.1360 0.2905 ( 6539 PWs) bands (ev): -39.9716 -39.9716 -39.9678 -39.9678 -12.0499 -12.0499 -12.0345 -12.0345 -11.8870 -11.8870 -11.8635 -11.8635 -11.8550 -11.8550 -11.8351 -11.8351 3.6147 3.6147 5.7914 5.7914 6.0186 6.0186 6.1545 6.1545 6.4090 6.4090 6.5477 6.5477 7.1376 7.1376 7.2656 7.2656 7.4575 7.4575 7.6816 7.6816 7.7720 7.7720 8.1075 8.1075 8.4753 8.4753 8.8100 8.8100 8.8849 8.8849 9.0389 9.0389 9.6888 9.6888 9.8297 9.8297 10.1017 10.1017 10.3282 10.3282 10.6385 10.6385 11.7526 11.7526 12.2115 12.2115 13.8455 13.8455 14.4296 14.4296 16.5760 16.5760 17.2827 17.2827 k = 0.5577 0.1221 0.2983 ( 6539 PWs) bands (ev): -39.9715 -39.9715 -39.9679 -39.9679 -12.0496 -12.0496 -12.0348 -12.0348 -11.8870 -11.8870 -11.8633 -11.8633 -11.8552 -11.8552 -11.8351 -11.8351 3.6574 3.6574 5.7807 5.7807 6.0494 6.0494 6.1747 6.1747 6.4214 6.4214 6.5251 6.5251 7.1253 7.1253 7.2697 7.2697 7.4375 7.4375 7.6826 7.6826 7.7705 7.7705 8.1046 8.1046 8.4824 8.4824 8.8140 8.8140 8.8936 8.8936 9.0546 9.0546 9.6721 9.6721 9.8261 9.8261 10.1073 10.1073 10.2981 10.2981 10.6314 10.6314 11.6495 11.6495 12.1076 12.1076 13.8318 13.8318 14.4159 14.4159 16.7034 16.7034 17.4188 17.4188 k = 0.5625 0.1083 0.3062 ( 6545 PWs) bands (ev): -39.9715 -39.9715 -39.9680 -39.9680 -12.0494 -12.0494 -12.0351 -12.0351 -11.8870 -11.8870 -11.8631 -11.8631 -11.8554 -11.8554 -11.8351 -11.8351 3.7031 3.7031 5.7670 5.7670 6.0785 6.0785 6.2000 6.2000 6.4142 6.4142 6.5258 6.5258 7.1123 7.1123 7.2729 7.2729 7.4178 7.4178 7.6828 7.6828 7.7694 7.7694 8.1021 8.1021 8.4898 8.4898 8.8137 8.8137 8.9050 8.9050 9.0688 9.0688 9.6547 9.6547 9.8222 9.8222 10.1108 10.1108 10.2670 10.2670 10.6231 10.6231 11.5461 11.5461 12.0095 12.0095 13.8178 13.8178 14.4034 14.4034 16.8346 16.8346 17.5425 17.5425 k = 0.5673 0.0944 0.3140 ( 6547 PWs) bands (ev): -39.9714 -39.9714 -39.9680 -39.9680 -12.0492 -12.0492 -12.0355 -12.0355 -11.8870 -11.8870 -11.8630 -11.8630 -11.8555 -11.8555 -11.8351 -11.8351 3.7515 3.7515 5.7497 5.7497 6.1042 6.1042 6.2315 6.2315 6.3907 6.3907 6.5476 6.5476 7.0989 7.0989 7.2751 7.2751 7.3984 7.3984 7.6824 7.6824 7.7681 7.7681 8.1006 8.1006 8.4974 8.4974 8.8100 8.8100 8.9179 8.9179 9.0809 9.0809 9.6369 9.6369 9.8179 9.8179 10.1107 10.1107 10.2358 10.2358 10.6131 10.6131 11.4440 11.4440 11.9194 11.9194 13.8035 13.8035 14.3920 14.3920 16.9690 16.9690 17.6396 17.6396 k = 0.5721 0.0805 0.3219 ( 6546 PWs) bands (ev): -39.9713 -39.9713 -39.9681 -39.9681 -12.0489 -12.0489 -12.0358 -12.0358 -11.8869 -11.8869 -11.8628 -11.8628 -11.8556 -11.8556 -11.8351 -11.8351 3.8023 3.8023 5.7282 5.7282 6.1253 6.1253 6.2695 6.2695 6.3634 6.3634 6.5796 6.5796 7.0852 7.0852 7.2760 7.2760 7.3792 7.3792 7.6813 7.6813 7.7661 7.7661 8.1006 8.1006 8.5054 8.5054 8.8035 8.8035 8.9310 8.9310 9.0903 9.0903 9.6193 9.6193 9.8131 9.8131 10.1044 10.1044 10.2067 10.2067 10.6013 10.6013 11.3447 11.3447 11.8392 11.8392 13.7890 13.7890 14.3814 14.3814 17.1059 17.1059 17.6865 17.6865 k = 0.5769 0.0666 0.3297 ( 6541 PWs) bands (ev): -39.9712 -39.9712 -39.9682 -39.9682 -12.0486 -12.0486 -12.0362 -12.0362 -11.8869 -11.8869 -11.8627 -11.8627 -11.8557 -11.8557 -11.8351 -11.8351 3.8553 3.8553 5.7020 5.7020 6.1421 6.1421 6.3116 6.3116 6.3402 6.3402 6.6167 6.6167 7.0712 7.0712 7.2757 7.2757 7.3603 7.3603 7.6797 7.6797 7.7629 7.7629 8.1027 8.1027 8.5138 8.5138 8.7946 8.7946 8.9433 8.9433 9.0964 9.0964 9.6025 9.6025 9.8073 9.8073 10.0887 10.0887 10.1821 10.1821 10.5879 10.5879 11.2493 11.2493 11.7707 11.7707 13.7743 13.7743 14.3715 14.3715 17.2436 17.2436 17.6696 17.6696 k = 0.5817 0.0527 0.3376 ( 6541 PWs) bands (ev): -39.9711 -39.9711 -39.9683 -39.9683 -12.0483 -12.0483 -12.0365 -12.0365 -11.8869 -11.8869 -11.8627 -11.8627 -11.8556 -11.8556 -11.8351 -11.8351 3.9099 3.9099 5.6708 5.6708 6.1547 6.1547 6.3147 6.3147 6.3658 6.3658 6.6572 6.6572 7.0571 7.0571 7.2739 7.2739 7.3420 7.3420 7.6773 7.6773 7.7582 7.7582 8.1073 8.1073 8.5228 8.5228 8.7835 8.7835 8.9539 8.9539 9.0984 9.0984 9.5868 9.5868 9.8004 9.8004 10.0627 10.0627 10.1628 10.1628 10.5734 10.5734 11.1589 11.1589 11.7155 11.7155 13.7597 13.7597 14.3620 14.3620 17.3749 17.3749 17.6131 17.6131 k = 0.5865 0.0389 0.3454 ( 6547 PWs) bands (ev): -39.9711 -39.9711 -39.9684 -39.9684 -12.0481 -12.0481 -12.0369 -12.0369 -11.8868 -11.8868 -11.8628 -11.8628 -11.8556 -11.8556 -11.8352 -11.8352 3.9657 3.9657 5.6345 5.6345 6.1637 6.1637 6.3016 6.3016 6.4180 6.4180 6.7002 6.7002 7.0431 7.0431 7.2705 7.2705 7.3245 7.3245 7.6736 7.6736 7.7522 7.7522 8.1148 8.1148 8.5324 8.5324 8.7699 8.7699 8.9621 8.9621 9.0961 9.0961 9.5727 9.5727 9.7914 9.7914 10.0296 10.0296 10.1460 10.1460 10.5590 10.5590 11.0743 11.0743 11.6742 11.6742 13.7452 13.7452 14.3529 14.3529 17.4395 17.4395 17.6015 17.6015 k = 0.5913 0.0250 0.3533 ( 6557 PWs) bands (ev): -39.9710 -39.9710 -39.9685 -39.9685 -12.0478 -12.0478 -12.0373 -12.0373 -11.8868 -11.8868 -11.8629 -11.8629 -11.8554 -11.8554 -11.8352 -11.8352 4.0222 4.0222 5.5935 5.5935 6.1694 6.1694 6.2945 6.2945 6.4738 6.4738 6.7449 6.7449 7.0293 7.0293 7.2652 7.2652 7.3086 7.3086 7.6679 7.6679 7.7456 7.7456 8.1249 8.1249 8.5427 8.5427 8.7539 8.7539 8.9671 8.9671 9.0893 9.0893 9.5602 9.5602 9.7795 9.7795 9.9939 9.9939 10.1287 10.1287 10.5459 10.5459 10.9961 10.9961 11.6471 11.6471 13.7310 13.7310 14.3441 14.3441 17.3690 17.3690 17.7161 17.7161 k = 0.5962 0.0111 0.3611 ( 6550 PWs) bands (ev): -39.9709 -39.9709 -39.9686 -39.9686 -12.0475 -12.0475 -12.0377 -12.0377 -11.8867 -11.8867 -11.8631 -11.8631 -11.8552 -11.8552 -11.8353 -11.8353 4.0787 4.0787 5.5485 5.5485 6.1732 6.1732 6.2933 6.2933 6.5317 6.5317 6.7902 6.7902 7.0164 7.0164 7.2577 7.2577 7.2949 7.2949 7.6593 7.6593 7.7394 7.7394 8.1374 8.1374 8.5536 8.5536 8.7353 8.7353 8.9683 8.9683 9.0781 9.0781 9.5491 9.5491 9.7631 9.7631 9.9601 9.9601 10.1096 10.1096 10.5352 10.5352 10.9247 10.9247 11.6337 11.6337 13.7172 13.7172 14.3355 14.3355 17.2662 17.2662 17.8599 17.8599 k = 0.6010-0.0028 0.3690 ( 6551 PWs) bands (ev): -39.9708 -39.9708 -39.9687 -39.9687 -12.0472 -12.0472 -12.0380 -12.0380 -11.8866 -11.8866 -11.8634 -11.8634 -11.8549 -11.8549 -11.8353 -11.8353 4.1343 4.1343 5.5005 5.5005 6.1765 6.1765 6.2967 6.2967 6.5906 6.5906 6.8341 6.8341 7.0060 7.0060 7.2483 7.2483 7.2839 7.2839 7.6473 7.6473 7.7348 7.7348 8.1514 8.1514 8.5647 8.5647 8.7145 8.7145 8.9653 8.9653 9.0626 9.0626 9.5393 9.5393 9.7406 9.7406 9.9319 9.9319 10.0891 10.0891 10.5274 10.5274 10.8606 10.8606 11.6328 11.6328 13.7038 13.7038 14.3270 14.3270 17.1567 17.1567 18.0098 18.0098 k = 0.6058-0.0167 0.3768 ( 6551 PWs) bands (ev): -39.9707 -39.9707 -39.9688 -39.9688 -12.0468 -12.0468 -12.0384 -12.0384 -11.8865 -11.8865 -11.8637 -11.8637 -11.8546 -11.8546 -11.8354 -11.8354 4.1880 4.1880 5.4506 5.4506 6.1805 6.1805 6.3032 6.3032 6.6490 6.6490 6.8720 6.8720 7.0019 7.0019 7.2383 7.2383 7.2751 7.2751 7.6323 7.6323 7.7322 7.7322 8.1657 8.1657 8.5749 8.5749 8.6925 8.6925 8.9581 8.9581 9.0429 9.0429 9.5305 9.5305 9.7114 9.7114 9.9115 9.9115 10.0685 10.0685 10.5224 10.5224 10.8042 10.8042 11.6432 11.6432 13.6911 13.6911 14.3185 14.3185 17.0450 17.0450 18.1622 18.1622 k = 0.6106-0.0305 0.3847 ( 6551 PWs) bands (ev): -39.9706 -39.9706 -39.9689 -39.9689 -12.0465 -12.0465 -12.0388 -12.0388 -11.8864 -11.8864 -11.8641 -11.8641 -11.8542 -11.8542 -11.8355 -11.8355 4.2385 4.2385 5.4003 5.4003 6.1860 6.1860 6.3120 6.3120 6.7045 6.7045 6.8962 6.8962 7.0117 7.0117 7.2296 7.2296 7.2682 7.2682 7.6156 7.6156 7.7315 7.7315 8.1787 8.1787 8.5818 8.5818 8.6727 8.6727 8.9469 8.9469 9.0195 9.0195 9.5226 9.5226 9.6769 9.6769 9.8992 9.8992 10.0494 10.0494 10.5195 10.5195 10.7562 10.7562 11.6632 11.6632 13.6791 13.6791 14.3100 14.3100 16.9327 16.9327 18.3153 18.3153 k = 0.6154-0.0444 0.3925 ( 6554 PWs) bands (ev): -39.9705 -39.9705 -39.9689 -39.9689 -12.0463 -12.0463 -12.0391 -12.0391 -11.8863 -11.8863 -11.8645 -11.8645 -11.8538 -11.8538 -11.8356 -11.8356 4.2844 4.2844 5.3511 5.3511 6.1932 6.1932 6.3225 6.3225 6.7524 6.7524 6.9056 6.9056 7.0366 7.0366 7.2245 7.2245 7.2636 7.2636 7.5990 7.5990 7.7326 7.7326 8.1879 8.1879 8.5808 8.5808 8.6612 8.6612 8.9317 8.9317 8.9931 8.9931 9.5154 9.5154 9.6401 9.6401 9.8935 9.8935 10.0332 10.0332 10.5178 10.5178 10.7169 10.7169 11.6915 11.6915 13.6679 13.6679 14.3016 14.3016 16.8206 16.8206 18.4671 18.4671 k = 0.6202-0.0583 0.4004 ( 6550 PWs) bands (ev): -39.9704 -39.9704 -39.9690 -39.9690 -12.0460 -12.0460 -12.0394 -12.0394 -11.8861 -11.8861 -11.8650 -11.8650 -11.8533 -11.8533 -11.8357 -11.8357 4.3237 4.3237 5.3049 5.3049 6.2018 6.2018 6.3351 6.3351 6.7836 6.7836 6.9138 6.9138 7.0649 7.0649 7.2245 7.2245 7.2643 7.2643 7.5847 7.5847 7.7354 7.7354 8.1902 8.1902 8.5707 8.5707 8.6611 8.6611 8.9124 8.9124 8.9659 8.9659 9.5072 9.5072 9.6053 9.6053 9.8925 9.8925 10.0213 10.0213 10.5157 10.5157 10.6870 10.6870 11.7270 11.7270 13.6576 13.6576 14.2931 14.2931 16.7090 16.7090 18.6113 18.6113 k = 0.6250-0.0722 0.4082 ( 6559 PWs) bands (ev): -39.9704 -39.9704 -39.9691 -39.9691 -12.0458 -12.0458 -12.0396 -12.0396 -11.8860 -11.8860 -11.8655 -11.8655 -11.8529 -11.8529 -11.8358 -11.8358 4.3545 4.3545 5.2635 5.2635 6.2111 6.2111 6.3502 6.3502 6.7904 6.7904 6.9319 6.9319 7.0847 7.0847 7.2293 7.2293 7.2765 7.2765 7.5752 7.5752 7.7400 7.7400 8.1824 8.1824 8.5589 8.5589 8.6675 8.6675 8.8888 8.8888 8.9406 8.9406 9.4937 9.4937 9.5791 9.5791 9.8946 9.8946 10.0142 10.0142 10.5121 10.5121 10.6670 10.6670 11.7685 11.7685 13.6482 13.6482 14.2845 14.2845 16.5982 16.5982 18.7198 18.7198 k = 0.6250-0.0722 0.4082 ( 6559 PWs) bands (ev): -39.9704 -39.9704 -39.9691 -39.9691 -12.0458 -12.0458 -12.0396 -12.0396 -11.8860 -11.8860 -11.8655 -11.8655 -11.8529 -11.8529 -11.8358 -11.8358 4.3545 4.3545 5.2635 5.2635 6.2111 6.2111 6.3502 6.3502 6.7904 6.7904 6.9319 6.9319 7.0847 7.0847 7.2293 7.2293 7.2765 7.2765 7.5752 7.5752 7.7400 7.7400 8.1824 8.1824 8.5589 8.5589 8.6675 8.6675 8.8888 8.8888 8.9406 8.9406 9.4937 9.4937 9.5791 9.5791 9.8946 9.8946 10.0142 10.0142 10.5121 10.5121 10.6670 10.6670 11.7685 11.7685 13.6482 13.6482 14.2845 14.2845 16.5982 16.5982 18.7198 18.7198 k = 0.6167-0.0674 0.4219 ( 6553 PWs) bands (ev): -39.9704 -39.9704 -39.9691 -39.9691 -12.0458 -12.0458 -12.0396 -12.0396 -11.8860 -11.8860 -11.8654 -11.8654 -11.8529 -11.8529 -11.8358 -11.8358 4.3568 4.3568 5.2613 5.2613 6.2114 6.2114 6.3495 6.3495 6.7886 6.7886 6.9330 6.9330 7.0862 7.0862 7.2305 7.2305 7.2764 7.2764 7.5753 7.5753 7.7421 7.7421 8.1806 8.1806 8.5557 8.5557 8.6676 8.6676 8.8806 8.8806 8.9483 8.9483 9.4887 9.4887 9.5836 9.5836 9.8952 9.8952 10.0152 10.0152 10.5128 10.5128 10.6689 10.6689 11.7694 11.7694 13.6055 13.6055 14.3295 14.3295 16.5987 16.5987 18.6902 18.6902 k = 0.6083-0.0625 0.4355 ( 6548 PWs) bands (ev): -39.9704 -39.9704 -39.9691 -39.9691 -12.0457 -12.0457 -12.0396 -12.0396 -11.8860 -11.8860 -11.8653 -11.8653 -11.8530 -11.8530 -11.8358 -11.8358 4.3640 4.3640 5.2549 5.2549 6.2121 6.2121 6.3476 6.3476 6.7838 6.7838 6.9361 6.9361 7.0904 7.0904 7.2343 7.2343 7.2762 7.2762 7.5760 7.5760 7.7484 7.7484 8.1753 8.1753 8.5467 8.5467 8.6671 8.6671 8.8638 8.8638 8.9638 8.9638 9.4759 9.4759 9.5946 9.5946 9.8971 9.8971 10.0178 10.0178 10.5148 10.5148 10.6746 10.6746 11.7720 11.7720 13.5017 13.5017 14.4404 14.4404 16.6001 16.6001 18.6117 18.6117 k = 0.6000-0.0577 0.4491 ( 6548 PWs) bands (ev): -39.9704 -39.9704 -39.9691 -39.9691 -12.0457 -12.0457 -12.0397 -12.0397 -11.8860 -11.8860 -11.8652 -11.8652 -11.8531 -11.8531 -11.8357 -11.8357 4.3758 4.3758 5.2443 5.2443 6.2133 6.2133 6.3445 6.3445 6.7769 6.7769 6.9407 6.9407 7.0965 7.0965 7.2404 7.2404 7.2759 7.2759 7.5782 7.5782 7.7581 7.7581 8.1664 8.1664 8.5325 8.5325 8.6644 8.6644 8.8464 8.8464 8.9807 8.9807 9.4591 9.4591 9.6083 9.6083 9.9003 9.9003 10.0218 10.0218 10.5186 10.5186 10.6837 10.6837 11.7764 11.7764 13.3703 13.3703 14.5837 14.5837 16.6023 16.6023 18.5060 18.5060 k = 0.5917-0.0529 0.4627 ( 6556 PWs) bands (ev): -39.9703 -39.9703 -39.9691 -39.9691 -12.0457 -12.0457 -12.0398 -12.0398 -11.8861 -11.8861 -11.8650 -11.8650 -11.8533 -11.8533 -11.8357 -11.8357 4.3922 4.3922 5.2295 5.2295 6.2149 6.2149 6.3401 6.3401 6.7693 6.7693 6.9463 6.9463 7.1033 7.1033 7.2477 7.2477 7.2764 7.2764 7.5830 7.5830 7.7705 7.7705 8.1539 8.1539 8.5140 8.5140 8.6579 8.6579 8.8319 8.8319 8.9972 8.9972 9.4405 9.4405 9.6224 9.6224 9.9049 9.9049 10.0266 10.0266 10.5243 10.5243 10.6959 10.6959 11.7824 11.7824 13.2285 13.2285 14.7425 14.7425 16.6050 16.6050 18.3898 18.3898 k = 0.5833-0.0481 0.4763 ( 6565 PWs) bands (ev): -39.9703 -39.9703 -39.9692 -39.9692 -12.0456 -12.0456 -12.0399 -12.0399 -11.8862 -11.8862 -11.8648 -11.8648 -11.8536 -11.8536 -11.8357 -11.8357 4.4132 4.4132 5.2106 5.2106 6.2167 6.2167 6.3347 6.3347 6.7620 6.7620 6.9528 6.9528 7.1094 7.1094 7.2525 7.2525 7.2814 7.2814 7.5915 7.5915 7.7845 7.7845 8.1380 8.1380 8.4912 8.4912 8.6473 8.6473 8.8217 8.8217 9.0128 9.0128 9.4210 9.4210 9.6358 9.6358 9.9109 9.9109 10.0314 10.0314 10.5324 10.5324 10.7105 10.7105 11.7901 11.7901 13.0840 13.0840 14.9094 14.9094 16.6079 16.6079 18.2714 18.2714 k = 0.5750-0.0433 0.4899 ( 6566 PWs) bands (ev): -39.9703 -39.9703 -39.9692 -39.9692 -12.0455 -12.0455 -12.0400 -12.0400 -11.8863 -11.8863 -11.8645 -11.8645 -11.8538 -11.8538 -11.8356 -11.8356 4.4386 4.4386 5.1877 5.1877 6.2185 6.2185 6.3282 6.3282 6.7559 6.7559 6.9602 6.9602 7.1139 7.1139 7.2507 7.2507 7.2947 7.2947 7.6042 7.6042 7.7996 7.7996 8.1189 8.1189 8.4639 8.4639 8.6336 8.6336 8.8160 8.8160 9.0275 9.0275 9.4014 9.4014 9.6480 9.6480 9.9181 9.9181 10.0357 10.0357 10.5432 10.5432 10.7269 10.7269 11.7994 11.7994 12.9408 12.9408 15.0808 15.0808 16.6105 16.6105 18.1547 18.1547 k = 0.5667-0.0385 0.5035 ( 6566 PWs) bands (ev): -39.9702 -39.9702 -39.9692 -39.9692 -12.0454 -12.0454 -12.0401 -12.0401 -11.8863 -11.8863 -11.8642 -11.8642 -11.8541 -11.8541 -11.8356 -11.8356 4.4683 4.4683 5.1609 5.1609 6.2203 6.2203 6.3211 6.3211 6.7517 6.7517 6.9687 6.9687 7.1162 7.1162 7.2435 7.2435 7.3143 7.3143 7.6212 7.6212 7.8151 7.8151 8.0970 8.0970 8.4321 8.4321 8.6192 8.6192 8.8135 8.8135 9.0415 9.0415 9.3820 9.3820 9.6587 9.6587 9.9263 9.9263 10.0389 10.0389 10.5570 10.5570 10.7441 10.7441 11.8102 11.8102 12.8016 12.8016 15.2547 15.2547 16.6119 16.6119 18.0421 18.0421 k = 0.5583-0.0337 0.5171 ( 6565 PWs) bands (ev): -39.9702 -39.9702 -39.9693 -39.9693 -12.0453 -12.0453 -12.0402 -12.0402 -11.8864 -11.8864 -11.8638 -11.8638 -11.8544 -11.8544 -11.8355 -11.8355 4.5020 4.5020 5.1304 5.1304 6.2219 6.2219 6.3135 6.3135 6.7495 6.7495 6.9785 6.9785 7.1164 7.1164 7.2330 7.2330 7.3379 7.3379 7.6422 7.6422 7.8303 7.8303 8.0730 8.0730 8.3956 8.3956 8.6061 8.6061 8.8129 8.8129 9.0548 9.0548 9.3632 9.3632 9.6679 9.6679 9.9352 9.9352 10.0407 10.0407 10.5737 10.5737 10.7611 10.7611 11.8222 11.8222 12.6687 12.6687 15.4294 15.4294 16.6114 16.6114 17.9352 17.9352 k = 0.5500-0.0289 0.5307 ( 6571 PWs) bands (ev): -39.9701 -39.9701 -39.9693 -39.9693 -12.0453 -12.0453 -12.0403 -12.0403 -11.8865 -11.8865 -11.8635 -11.8635 -11.8548 -11.8548 -11.8355 -11.8355 4.5397 4.5397 5.0964 5.0964 6.2230 6.2230 6.3058 6.3058 6.7495 6.7495 6.9896 6.9896 7.1148 7.1148 7.2198 7.2198 7.3638 7.3638 7.6663 7.6663 7.8445 7.8445 8.0483 8.0483 8.3552 8.3552 8.5955 8.5955 8.8131 8.8131 9.0673 9.0673 9.3455 9.3455 9.6757 9.6757 9.9444 9.9444 10.0409 10.0409 10.5931 10.5931 10.7766 10.7766 11.8351 11.8351 12.5444 12.5444 15.6035 15.6035 16.6078 16.6078 17.8356 17.8356 k = 0.5417-0.0241 0.5443 ( 6583 PWs) bands (ev): -39.9701 -39.9701 -39.9694 -39.9694 -12.0452 -12.0452 -12.0405 -12.0405 -11.8866 -11.8866 -11.8631 -11.8631 -11.8552 -11.8552 -11.8354 -11.8354 4.5808 4.5808 5.0590 5.0590 6.2235 6.2235 6.2986 6.2986 6.7514 6.7514 7.0021 7.0021 7.1120 7.1120 7.2045 7.2045 7.3908 7.3908 7.6922 7.6922 7.8567 7.8567 8.0251 8.0251 8.3119 8.3119 8.5881 8.5881 8.8131 8.8131 9.0790 9.0790 9.3292 9.3292 9.6822 9.6822 9.9537 9.9537 10.0395 10.0395 10.6150 10.6150 10.7893 10.7893 11.8483 11.8483 12.4314 12.4314 15.7750 15.7750 16.5998 16.5998 17.7446 17.7446 k = 0.5333-0.0192 0.5579 ( 6590 PWs) bands (ev): -39.9700 -39.9700 -39.9695 -39.9695 -12.0451 -12.0451 -12.0406 -12.0406 -11.8867 -11.8867 -11.8627 -11.8627 -11.8556 -11.8556 -11.8354 -11.8354 4.6252 4.6252 5.0183 5.0183 6.2234 6.2234 6.2921 6.2921 6.7548 6.7548 7.0159 7.0159 7.1088 7.1088 7.1875 7.1875 7.4173 7.4173 7.7184 7.7184 7.8650 7.8650 8.0065 8.0065 8.2670 8.2670 8.5836 8.5836 8.8126 8.8126 9.0897 9.0897 9.3149 9.3149 9.6875 9.6875 9.9629 9.9629 10.0364 10.0364 10.6389 10.6389 10.7974 10.7974 11.8609 11.8609 12.3328 12.3328 15.9412 15.9412 16.5859 16.5859 17.6635 17.6635 k = 0.5250-0.0144 0.5715 ( 6598 PWs) bands (ev): -39.9700 -39.9700 -39.9695 -39.9695 -12.0450 -12.0450 -12.0408 -12.0408 -11.8868 -11.8868 -11.8624 -11.8624 -11.8559 -11.8559 -11.8354 -11.8354 4.6724 4.6724 4.9747 4.9747 6.2226 6.2226 6.2867 6.2867 6.7591 6.7591 7.0308 7.0308 7.1060 7.1060 7.1692 7.1692 7.4417 7.4417 7.7428 7.7428 7.8672 7.8672 7.9969 7.9969 8.2227 8.2227 8.5816 8.5816 8.8114 8.8114 9.0988 9.0988 9.3032 9.3032 9.6916 9.6916 9.9719 9.9719 10.0320 10.0320 10.6640 10.6640 10.7995 10.7995 11.8714 11.8714 12.2526 12.2526 16.0979 16.0979 16.5648 16.5648 17.5918 17.5918 k = 0.5167-0.0096 0.5852 ( 6606 PWs) bands (ev): -39.9699 -39.9699 -39.9696 -39.9696 -12.0449 -12.0449 -12.0409 -12.0409 -11.8868 -11.8868 -11.8621 -11.8621 -11.8562 -11.8562 -11.8354 -11.8354 4.7219 4.7219 4.9282 4.9282 6.2216 6.2216 6.2828 6.2828 6.7634 6.7634 7.0460 7.0460 7.1046 7.1046 7.1502 7.1502 7.4620 7.4620 7.7631 7.7631 7.8631 7.8631 7.9983 7.9983 8.1818 8.1818 8.5816 8.5816 8.8096 8.8096 9.1061 9.1061 9.2944 9.2944 9.6946 9.6946 9.9803 9.9803 10.0266 10.0266 10.6895 10.6895 10.7946 10.7946 11.8781 11.8781 12.1946 12.1946 16.2377 16.2377 16.5360 16.5360 17.5290 17.5290 k = 0.5083-0.0048 0.5988 ( 6606 PWs) bands (ev): -39.9698 -39.9698 -39.9697 -39.9697 -12.0449 -12.0449 -12.0410 -12.0410 -11.8869 -11.8869 -11.8619 -11.8619 -11.8564 -11.8564 -11.8354 -11.8354 4.7728 4.7728 4.8795 4.8795 6.2206 6.2206 6.2803 6.2803 6.7667 6.7667 7.0595 7.0595 7.1058 7.1058 7.1319 7.1319 7.4758 7.4758 7.7768 7.7768 7.8571 7.8571 8.0063 8.0063 8.1500 8.1500 8.5825 8.5825 8.8078 8.8078 9.1107 9.1107 9.2891 9.2891 9.6964 9.6964 9.9875 9.9875 10.0210 10.0210 10.7131 10.7131 10.7833 10.7833 11.8802 11.8802 12.1612 12.1612 16.3473 16.3473 16.5021 16.5021 17.4851 17.4851 k = 0.5000-0.0000 0.6124 ( 6620 PWs) bands (ev): -39.9698 -39.9698 -39.9698 -39.9698 -12.0449 -12.0449 -12.0410 -12.0410 -11.8869 -11.8869 -11.8619 -11.8619 -11.8565 -11.8565 -11.8354 -11.8354 4.8152 4.8152 4.8380 4.8380 6.2202 6.2202 6.2794 6.2794 6.7681 6.7681 7.0659 7.0659 7.1089 7.1089 7.1211 7.1211 7.4807 7.4807 7.7816 7.7816 7.8545 7.8545 8.0109 8.0109 8.1372 8.1372 8.5831 8.5831 8.8070 8.8070 9.1124 9.1124 9.2873 9.2873 9.6970 9.6970 9.9908 9.9908 10.0181 10.0181 10.7261 10.7261 10.7743 10.7743 11.8800 11.8800 12.1511 12.1511 16.3950 16.3950 16.4821 16.4821 17.4729 17.4729 k = 0.5000-0.0000 0.6124 ( 6620 PWs) bands (ev): -39.9698 -39.9698 -39.9698 -39.9698 -12.0449 -12.0449 -12.0410 -12.0410 -11.8869 -11.8869 -11.8619 -11.8619 -11.8565 -11.8565 -11.8354 -11.8354 4.8152 4.8152 4.8380 4.8380 6.2202 6.2202 6.2794 6.2794 6.7681 6.7681 7.0659 7.0659 7.1089 7.1089 7.1211 7.1211 7.4807 7.4807 7.7816 7.7816 7.8545 7.8545 8.0109 8.0109 8.1372 8.1372 8.5831 8.5831 8.8070 8.8070 9.1124 9.1124 9.2873 9.2873 9.6970 9.6970 9.9908 9.9908 10.0181 10.0181 10.7261 10.7261 10.7743 10.7743 11.8800 11.8800 12.1511 12.1511 16.3950 16.3950 16.4821 16.4821 17.4729 17.4729 k = 0.5000 0.0096 0.5988 ( 6604 PWs) bands (ev): -39.9699 -39.9699 -39.9696 -39.9696 -12.0449 -12.0449 -12.0409 -12.0409 -11.8869 -11.8869 -11.8618 -11.8618 -11.8565 -11.8565 -11.8354 -11.8354 4.7508 4.7508 4.9022 4.9022 6.2198 6.2198 6.2792 6.2792 6.7655 6.7655 7.0530 7.0530 7.1120 7.1120 7.1312 7.1312 7.4709 7.4709 7.7773 7.7773 7.8549 7.8549 8.0022 8.0022 8.1618 8.1618 8.5815 8.5815 8.8092 8.8092 9.1120 9.1120 9.2902 9.2902 9.6980 9.6980 9.9848 9.9848 10.0241 10.0241 10.7056 10.7056 10.7955 10.7955 11.8736 11.8736 12.1624 12.1624 16.3468 16.3468 16.5244 16.5244 17.4614 17.4614 k = 0.5000 0.0192 0.5852 ( 6604 PWs) bands (ev): -39.9700 -39.9700 -39.9695 -39.9695 -12.0450 -12.0450 -12.0408 -12.0408 -11.8869 -11.8869 -11.8618 -11.8618 -11.8565 -11.8565 -11.8354 -11.8354 4.6764 4.6764 4.9762 4.9762 6.2187 6.2187 6.2787 6.2787 6.7575 6.7575 7.0301 7.0301 7.1139 7.1139 7.1522 7.1522 7.4440 7.4440 7.7670 7.7670 7.8562 7.8562 7.9879 7.9879 8.2193 8.2193 8.5773 8.5773 8.8155 8.8155 9.1107 9.1107 9.2989 9.2989 9.7008 9.7008 9.9728 9.9728 10.0360 10.0360 10.6727 10.6727 10.8307 10.8307 11.8577 11.8577 12.1933 12.1933 16.2674 16.2674 16.5856 16.5856 17.4512 17.4512 k = 0.5000 0.0289 0.5715 ( 6594 PWs) bands (ev): -39.9701 -39.9701 -39.9694 -39.9694 -12.0452 -12.0452 -12.0405 -12.0405 -11.8869 -11.8869 -11.8618 -11.8618 -11.8565 -11.8565 -11.8353 -11.8353 4.6020 4.6020 5.0498 5.0498 6.2171 6.2171 6.2777 6.2777 6.7435 6.7435 7.0080 7.0080 7.1144 7.1144 7.1709 7.1709 7.4075 7.4075 7.7550 7.7550 7.8579 7.8579 7.9770 7.9770 8.2914 8.2914 8.5712 8.5712 8.8254 8.8254 9.1087 9.1087 9.3133 9.3133 9.7056 9.7056 9.9594 9.9594 10.0494 10.0494 10.6401 10.6401 10.8670 10.8670 11.8381 11.8381 12.2382 12.2382 16.1814 16.1814 16.6401 16.6401 17.4521 17.4521 k = 0.5000 0.0385 0.5579 ( 6586 PWs) bands (ev): -39.9702 -39.9702 -39.9693 -39.9693 -12.0455 -12.0455 -12.0402 -12.0402 -11.8869 -11.8869 -11.8617 -11.8617 -11.8565 -11.8565 -11.8353 -11.8353 4.5281 4.5281 5.1224 5.1224 6.2150 6.2150 6.2762 6.2762 6.7233 6.7233 6.9894 6.9894 7.1110 7.1110 7.1815 7.1815 7.3734 7.3734 7.7440 7.7440 7.8595 7.8595 7.9700 7.9700 8.3682 8.3682 8.5647 8.5647 8.8378 8.8378 9.1063 9.1063 9.3335 9.3335 9.7123 9.7123 9.9456 9.9456 10.0634 10.0634 10.6098 10.6098 10.9023 10.9023 11.8197 11.8197 12.2926 12.2926 16.0921 16.0921 16.6835 16.6835 17.4666 17.4666 k = 0.5000 0.0481 0.5443 ( 6586 PWs) bands (ev): -39.9703 -39.9703 -39.9692 -39.9692 -12.0458 -12.0458 -12.0398 -12.0398 -11.8869 -11.8869 -11.8617 -11.8617 -11.8566 -11.8566 -11.8353 -11.8353 4.4550 4.4550 5.1937 5.1937 6.2127 6.2127 6.2743 6.2743 6.6968 6.6968 6.9748 6.9748 7.0970 7.0970 7.1826 7.1826 7.3539 7.3539 7.7344 7.7344 7.8601 7.8601 7.9666 7.9666 8.4418 8.4418 8.5605 8.5605 8.8522 8.8522 9.1039 9.1039 9.3590 9.3590 9.7213 9.7213 9.9320 9.9320 10.0778 10.0778 10.5830 10.5830 10.9356 10.9356 11.8056 11.8056 12.3539 12.3539 16.0009 16.0009 16.7138 16.7138 17.4957 17.4957 k = 0.5000 0.0577 0.5307 ( 6572 PWs) bands (ev): -39.9704 -39.9704 -39.9691 -39.9691 -12.0461 -12.0461 -12.0394 -12.0394 -11.8869 -11.8869 -11.8616 -11.8616 -11.8566 -11.8566 -11.8352 -11.8352 4.3828 4.3828 5.2632 5.2632 6.2102 6.2102 6.2723 6.2723 6.6645 6.6645 6.9625 6.9625 7.0669 7.0669 7.1823 7.1823 7.3515 7.3515 7.7262 7.7262 7.8589 7.8589 7.9668 7.9668 8.4977 8.4977 8.5695 8.5695 8.8679 8.8679 9.1023 9.1023 9.3891 9.3891 9.7328 9.7328 9.9193 9.9193 10.0925 10.0925 10.5603 10.5603 10.9663 10.9663 11.7980 11.7980 12.4206 12.4206 15.9083 15.9083 16.7311 16.7311 17.5392 17.5392 k = 0.5000 0.0674 0.5171 ( 6572 PWs) bands (ev): -39.9705 -39.9705 -39.9689 -39.9689 -12.0465 -12.0465 -12.0390 -12.0390 -11.8869 -11.8869 -11.8616 -11.8616 -11.8566 -11.8566 -11.8352 -11.8352 4.3117 4.3117 5.3305 5.3305 6.2075 6.2075 6.2706 6.2706 6.6274 6.6274 6.9458 6.9458 7.0302 7.0302 7.1862 7.1862 7.3591 7.3591 7.7191 7.7191 7.8555 7.8555 7.9705 7.9705 8.5148 8.5148 8.6096 8.6096 8.8840 8.8840 9.1022 9.1022 9.4222 9.4222 9.7474 9.7474 9.9088 9.9088 10.1070 10.1070 10.5425 10.5425 10.9943 10.9943 11.7981 11.7981 12.4918 12.4918 15.8150 15.8150 16.7364 16.7364 17.5953 17.5953 k = 0.5000 0.0770 0.5035 ( 6564 PWs) bands (ev): -39.9707 -39.9707 -39.9688 -39.9688 -12.0468 -12.0468 -12.0386 -12.0386 -11.8869 -11.8869 -11.8616 -11.8616 -11.8566 -11.8566 -11.8352 -11.8352 4.2420 4.2420 5.3950 5.3950 6.2041 6.2041 6.2700 6.2700 6.5867 6.5867 6.9118 6.9118 7.0077 7.0077 7.1935 7.1935 7.3702 7.3702 7.7131 7.7131 7.8498 7.8498 7.9774 7.9774 8.5132 8.5132 8.6588 8.6588 8.8992 8.8992 9.1046 9.1046 9.4561 9.4561 9.7653 9.7653 9.9024 9.9024 10.1211 10.1211 10.5302 10.5302 11.0201 11.0201 11.8067 11.8067 12.5669 12.5669 15.7213 15.7213 16.7317 16.7317 17.6618 17.6618 k = 0.5000 0.0866 0.4899 ( 6556 PWs) bands (ev): -39.9708 -39.9708 -39.9687 -39.9687 -12.0471 -12.0471 -12.0382 -12.0382 -11.8869 -11.8869 -11.8616 -11.8616 -11.8566 -11.8566 -11.8351 -11.8351 4.1738 4.1738 5.4561 5.4561 6.1995 6.1995 6.2715 6.2715 6.5433 6.5433 6.8615 6.8615 7.0032 7.0032 7.2027 7.2027 7.3814 7.3814 7.7080 7.7080 7.8424 7.8424 7.9869 7.9869 8.5081 8.5081 8.7011 8.7011 8.9117 8.9117 9.1098 9.1098 9.4881 9.4881 9.7848 9.7848 9.9037 9.9037 10.1343 10.1343 10.5239 10.5239 11.0449 11.0449 11.8238 11.8238 12.6454 12.6454 15.6275 15.6275 16.7191 16.7191 17.7359 17.7359 k = 0.5000 0.0962 0.4763 ( 6554 PWs) bands (ev): -39.9709 -39.9709 -39.9686 -39.9686 -12.0474 -12.0474 -12.0377 -12.0377 -11.8869 -11.8869 -11.8617 -11.8617 -11.8565 -11.8565 -11.8351 -11.8351 4.1073 4.1073 5.5132 5.5132 6.1930 6.1930 6.2763 6.2763 6.4984 6.4984 6.8062 6.8062 7.0078 7.0078 7.2127 7.2127 7.3916 7.3916 7.7037 7.7037 7.8339 7.8339 7.9983 7.9983 8.5025 8.5025 8.7347 8.7347 8.9199 8.9199 9.1173 9.1173 9.5163 9.5163 9.8013 9.8013 9.9182 9.9182 10.1462 10.1462 10.5239 10.5239 11.0706 11.0706 11.8493 11.8493 12.7270 12.7270 15.5340 15.5340 16.7001 16.7001 17.8156 17.8156 k = 0.5000 0.1058 0.4627 ( 6556 PWs) bands (ev): -39.9710 -39.9710 -39.9685 -39.9685 -12.0478 -12.0478 -12.0374 -12.0374 -11.8869 -11.8869 -11.8618 -11.8618 -11.8565 -11.8565 -11.8351 -11.8351 4.0428 4.0428 5.5656 5.5656 6.1843 6.1843 6.2848 6.2848 6.4531 6.4531 6.7514 6.7514 7.0169 7.0169 7.2229 7.2229 7.4002 7.4002 7.7002 7.7002 7.8249 7.8249 8.0109 8.0109 8.4972 8.4972 8.7607 8.7607 8.9232 8.9232 9.1250 9.1250 9.5400 9.5400 9.8111 9.8111 9.9483 9.9483 10.1565 10.1565 10.5302 10.5302 11.0999 11.0999 11.8824 11.8824 12.8113 12.8113 15.4409 15.4409 16.6760 16.6760 17.8988 17.8988 k = 0.5000 0.1155 0.4491 ( 6548 PWs) bands (ev): -39.9711 -39.9711 -39.9684 -39.9684 -12.0480 -12.0480 -12.0369 -12.0369 -11.8870 -11.8870 -11.8619 -11.8619 -11.8564 -11.8564 -11.8351 -11.8351 3.9803 3.9803 5.6127 5.6127 6.1733 6.1733 6.2964 6.2964 6.4095 6.4095 6.6992 6.6992 7.0288 7.0288 7.2328 7.2328 7.4074 7.4074 7.6975 7.6975 7.8158 7.8158 8.0241 8.0241 8.4923 8.4923 8.7808 8.7808 8.9220 8.9220 9.1305 9.1305 9.5604 9.5604 9.8155 9.8155 9.9890 9.9890 10.1653 10.1653 10.5420 10.5420 11.1360 11.1360 11.9224 11.9224 12.8980 12.8980 15.3488 15.3488 16.6474 16.6474 17.9834 17.9834 k = 0.5000 0.1251 0.4355 ( 6546 PWs) bands (ev): -39.9711 -39.9711 -39.9683 -39.9683 -12.0483 -12.0483 -12.0366 -12.0366 -11.8870 -11.8870 -11.8621 -11.8621 -11.8562 -11.8562 -11.8351 -11.8351 3.9201 3.9201 5.6541 5.6541 6.1600 6.1600 6.3055 6.3055 6.3744 6.3744 6.6502 6.6502 7.0426 7.0426 7.2419 7.2419 7.4137 7.4137 7.6953 7.6953 7.8071 7.8071 8.0373 8.0373 8.4880 8.4880 8.7966 8.7966 8.9172 8.9172 9.1316 9.1316 9.5789 9.5789 9.8177 9.8177 10.0321 10.0321 10.1739 10.1739 10.5575 10.5575 11.1819 11.1819 11.9685 11.9685 12.9868 12.9868 15.2578 15.2578 16.6149 16.6149 18.0659 18.0659 k = 0.5000 0.1347 0.4219 ( 6538 PWs) bands (ev): -39.9712 -39.9712 -39.9682 -39.9682 -12.0486 -12.0486 -12.0361 -12.0361 -11.8870 -11.8870 -11.8623 -11.8623 -11.8560 -11.8560 -11.8350 -11.8350 3.8623 3.8623 5.6896 5.6896 6.1440 6.1440 6.2926 6.2926 6.3681 6.3681 6.6048 6.6048 7.0575 7.0575 7.2498 7.2498 7.4197 7.4197 7.6936 7.6936 7.7990 7.7990 8.0502 8.0502 8.4840 8.4840 8.8091 8.8091 8.9098 8.9098 9.1275 9.1275 9.5971 9.5971 9.8193 9.8193 10.0699 10.0699 10.1854 10.1854 10.5748 10.5748 11.2403 11.2403 12.0199 12.0199 13.0772 13.0772 15.1685 15.1685 16.5787 16.5787 18.1346 18.1346 k = 0.5000 0.1443 0.4082 ( 6538 PWs) bands (ev): -39.9713 -39.9713 -39.9681 -39.9681 -12.0489 -12.0489 -12.0358 -12.0358 -11.8870 -11.8870 -11.8625 -11.8625 -11.8559 -11.8559 -11.8350 -11.8350 3.8072 3.8072 5.7193 5.7193 6.1252 6.1252 6.2606 6.2606 6.3887 6.3887 6.5633 6.5633 7.0732 7.0732 7.2561 7.2561 7.4261 7.4261 7.6921 7.6921 7.7920 7.7920 8.0625 8.0625 8.4802 8.4802 8.8187 8.8187 8.9007 8.9007 9.1182 9.1182 9.6154 9.6154 9.8210 9.8210 10.0957 10.0957 10.2041 10.2041 10.5916 10.5916 11.3123 11.3123 12.0761 12.0761 13.1689 13.1689 15.0812 15.0812 16.5387 16.5387 18.1280 18.1280 k = 0.5000 0.1540 0.3946 ( 6542 PWs) bands (ev): -39.9714 -39.9714 -39.9681 -39.9681 -12.0492 -12.0492 -12.0354 -12.0354 -11.8870 -11.8870 -11.8627 -11.8627 -11.8557 -11.8557 -11.8351 -11.8351 3.7548 3.7548 5.7435 5.7435 6.1028 6.1028 6.2276 6.2276 6.4179 6.4179 6.5260 6.5260 7.0889 7.0889 7.2605 7.2605 7.4337 7.4337 7.6907 7.6907 7.7862 7.7862 8.0737 8.0737 8.4766 8.4766 8.8256 8.8256 8.8907 8.8907 9.1046 9.1046 9.6340 9.6340 9.8229 9.8229 10.1076 10.1076 10.2314 10.2314 10.6064 10.6064 11.3975 11.3975 12.1366 12.1366 13.2611 13.2611 14.9966 14.9966 16.4949 16.4949 17.9902 17.9902 k = 0.5000 0.1636 0.3810 ( 6542 PWs) bands (ev): -39.9715 -39.9715 -39.9680 -39.9680 -12.0494 -12.0494 -12.0351 -12.0351 -11.8870 -11.8870 -11.8630 -11.8630 -11.8555 -11.8555 -11.8351 -11.8351 3.7053 3.7053 5.7629 5.7629 6.0769 6.0769 6.1985 6.1985 6.4462 6.4462 6.4973 6.4973 7.1045 7.1045 7.2628 7.2628 7.4431 7.4431 7.6891 7.6891 7.7818 7.7818 8.0839 8.0839 8.4731 8.4731 8.8291 8.8291 8.8814 8.8814 9.0878 9.0878 9.6526 9.6526 9.8252 9.8252 10.1099 10.1099 10.2631 10.2631 10.6188 10.6188 11.4938 11.4938 12.2011 12.2011 13.3531 13.3531 14.9154 14.9154 16.4472 16.4472 17.8084 17.8084 k = 0.5000 0.1732 0.3674 ( 6546 PWs) bands (ev): -39.9716 -39.9716 -39.9679 -39.9679 -12.0496 -12.0496 -12.0348 -12.0348 -11.8870 -11.8870 -11.8633 -11.8633 -11.8553 -11.8553 -11.8351 -11.8351 3.6589 3.6589 5.7781 5.7781 6.0480 6.0480 6.1744 6.1744 6.4440 6.4440 6.5047 6.5047 7.1195 7.1195 7.2630 7.2630 7.4546 7.4546 7.6871 7.6871 7.7789 7.7789 8.0927 8.0927 8.4694 8.4694 8.8276 8.8276 8.8744 8.8744 9.0690 9.0690 9.6707 9.6707 9.8278 9.8278 10.1070 10.1070 10.2954 10.2954 10.6288 10.6288 11.5983 11.5983 12.2696 12.2696 13.4441 13.4441 14.8386 14.8386 16.3952 16.3952 17.6192 17.6192 k = 0.5000 0.1828 0.3538 ( 6534 PWs) bands (ev): -39.9716 -39.9716 -39.9678 -39.9678 -12.0498 -12.0498 -12.0345 -12.0345 -11.8870 -11.8870 -11.8635 -11.8635 -11.8550 -11.8550 -11.8351 -11.8351 3.6157 3.6157 5.7898 5.7898 6.0177 6.0177 6.1545 6.1545 6.4190 6.4190 6.5391 6.5391 7.1336 7.1336 7.2614 7.2614 7.4684 7.4684 7.6848 7.6848 7.7775 7.7775 8.1000 8.1000 8.4656 8.4656 8.8202 8.8202 8.8713 8.8713 9.0492 9.0492 9.6879 9.6879 9.8305 9.8305 10.1017 10.1017 10.3265 10.3265 10.6369 10.6369 11.7076 11.7076 12.3420 12.3420 13.5328 13.5328 14.7675 14.7675 16.3388 16.3388 17.4314 17.4314 k = 0.5000 0.1925 0.3402 ( 6532 PWs) bands (ev): -39.9717 -39.9717 -39.9678 -39.9678 -12.0500 -12.0500 -12.0342 -12.0342 -11.8870 -11.8870 -11.8637 -11.8637 -11.8548 -11.8548 -11.8350 -11.8350 3.5758 3.5758 5.7988 5.7988 5.9872 5.9872 6.1379 6.1379 6.3933 6.3933 6.5770 6.5770 7.1467 7.1467 7.2583 7.2583 7.4842 7.4842 7.6820 7.6820 7.7777 7.7777 8.1057 8.1057 8.4617 8.4617 8.8081 8.8081 8.8712 8.8712 9.0294 9.0294 9.7037 9.7037 9.8335 9.8335 10.0952 10.0952 10.3555 10.3555 10.6438 10.6438 11.8179 11.8179 12.4182 12.4182 13.6176 13.6176 14.7035 14.7035 16.2777 16.2777 17.2483 17.2483 k = 0.5000 0.2021 0.3266 ( 6536 PWs) bands (ev): -39.9717 -39.9717 -39.9677 -39.9677 -12.0502 -12.0502 -12.0340 -12.0340 -11.8870 -11.8870 -11.8640 -11.8640 -11.8546 -11.8546 -11.8351 -11.8351 3.5393 3.5393 5.8054 5.8054 5.9580 5.9580 6.1239 6.1239 6.3695 6.3695 6.6149 6.6149 7.1585 7.1585 7.2541 7.2541 7.5018 7.5018 7.6787 7.6787 7.7792 7.7792 8.1097 8.1097 8.4578 8.4578 8.7936 8.7936 8.8723 8.8723 9.0101 9.0101 9.7179 9.7179 9.8365 9.8365 10.0883 10.0883 10.3821 10.3821 10.6498 10.6498 11.9260 11.9260 12.4980 12.4980 13.6967 13.6967 14.6489 14.6489 16.2117 16.2117 17.0727 17.0727 k = 0.5000 0.2117 0.3130 ( 6536 PWs) bands (ev): -39.9718 -39.9718 -39.9677 -39.9677 -12.0504 -12.0504 -12.0338 -12.0338 -11.8870 -11.8870 -11.8642 -11.8642 -11.8544 -11.8544 -11.8351 -11.8351 3.5064 3.5064 5.8104 5.8104 5.9307 5.9307 6.1118 6.1118 6.3482 6.3482 6.6512 6.6512 7.1691 7.1691 7.2491 7.2491 7.5206 7.5206 7.6751 7.6751 7.7820 7.7820 8.1118 8.1118 8.4540 8.4540 8.7780 8.7780 8.8737 8.8737 8.9919 8.9919 9.7304 9.7304 9.8396 9.8396 10.0817 10.0817 10.4060 10.4060 10.6553 10.6553 12.0288 12.0288 12.5807 12.5807 13.7675 13.7675 14.6060 14.6060 16.1409 16.1409 16.9069 16.9069 k = 0.5000 0.2213 0.2994 ( 6532 PWs) bands (ev): -39.9718 -39.9718 -39.9676 -39.9676 -12.0505 -12.0505 -12.0336 -12.0336 -11.8869 -11.8869 -11.8644 -11.8644 -11.8543 -11.8543 -11.8351 -11.8351 3.4771 3.4771 5.8140 5.8140 5.9060 5.9060 6.1014 6.1014 6.3293 6.3293 6.6852 6.6852 7.1784 7.1784 7.2438 7.2438 7.5401 7.5401 7.6712 7.6712 7.7857 7.7857 8.1118 8.1118 8.4506 8.4506 8.7623 8.7623 8.8752 8.8752 8.9749 8.9749 9.7410 9.7410 9.8427 9.8427 10.0755 10.0755 10.4270 10.4270 10.6606 10.6606 12.1239 12.1239 12.6647 12.6647 13.8277 13.8277 14.5773 14.5773 16.0655 16.0655 16.7533 16.7533 k = 0.5000 0.2309 0.2858 ( 6530 PWs) bands (ev): -39.9719 -39.9719 -39.9676 -39.9676 -12.0506 -12.0506 -12.0334 -12.0334 -11.8869 -11.8869 -11.8646 -11.8646 -11.8541 -11.8541 -11.8351 -11.8351 3.4515 3.4515 5.8166 5.8166 5.8841 5.8841 6.0925 6.0925 6.3129 6.3129 6.7160 6.7160 7.1865 7.1865 7.2384 7.2384 7.5595 7.5595 7.6673 7.6673 7.7903 7.7903 8.1099 8.1099 8.4479 8.4479 8.7472 8.7472 8.8765 8.8765 8.9595 8.9595 9.7499 9.7499 9.8458 9.8458 10.0701 10.0701 10.4450 10.4450 10.6658 10.6658 12.2094 12.2094 12.7476 12.7476 13.8754 13.8754 14.5645 14.5645 15.9866 15.9866 16.6146 16.6146 k = 0.5000 0.2406 0.2722 ( 6528 PWs) bands (ev): -39.9719 -39.9719 -39.9675 -39.9675 -12.0507 -12.0507 -12.0332 -12.0332 -11.8869 -11.8869 -11.8648 -11.8648 -11.8539 -11.8539 -11.8351 -11.8351 3.4298 3.4298 5.8184 5.8184 5.8654 5.8654 6.0851 6.0851 6.2990 6.2990 6.7432 6.7432 7.1934 7.1934 7.2333 7.2333 7.5781 7.5781 7.6635 7.6635 7.7954 7.7954 8.1061 8.1061 8.4461 8.4461 8.7332 8.7332 8.8777 8.8777 8.9457 8.9457 9.7570 9.7570 9.8487 9.8487 10.0655 10.0655 10.4601 10.4601 10.6706 10.6706 12.2841 12.2841 12.8257 12.8257 13.9106 13.9106 14.5671 14.5671 15.9061 15.9061 16.4931 16.4931 k = 0.5000 0.2502 0.2586 ( 6524 PWs) bands (ev): -39.9719 -39.9719 -39.9675 -39.9675 -12.0508 -12.0508 -12.0331 -12.0331 -11.8868 -11.8868 -11.8649 -11.8649 -11.8538 -11.8538 -11.8352 -11.8352 3.4119 3.4119 5.8195 5.8195 5.8500 5.8500 6.0790 6.0790 6.2877 6.2877 6.7661 6.7661 7.1991 7.1991 7.2287 7.2287 7.5950 7.5950 7.6598 7.6598 7.8007 7.8007 8.1011 8.1011 8.4451 8.4451 8.7208 8.7208 8.8789 8.8789 8.9338 8.9338 9.7626 9.7626 9.8512 9.8512 10.0618 10.0618 10.4722 10.4722 10.6751 10.6751 12.3472 12.3472 12.8953 12.8953 13.9353 13.9353 14.5817 14.5817 15.8276 15.8276 16.3910 16.3910 k = 0.5000 0.2598 0.2449 ( 6528 PWs) bands (ev): -39.9719 -39.9719 -39.9675 -39.9675 -12.0508 -12.0508 -12.0330 -12.0330 -11.8868 -11.8868 -11.8651 -11.8651 -11.8537 -11.8537 -11.8352 -11.8352 3.3979 3.3979 5.8202 5.8202 5.8380 5.8380 6.0743 6.0743 6.2789 6.2789 6.7843 6.7843 7.2036 7.2036 7.2247 7.2247 7.6095 7.6095 7.6564 7.6564 7.8058 7.8058 8.0956 8.0956 8.4449 8.4449 8.7105 8.7105 8.8802 8.8802 8.9240 8.9240 9.7667 9.7667 9.8533 9.8533 10.0590 10.0590 10.4814 10.4814 10.6789 10.6789 12.3977 12.3977 12.9525 12.9525 13.9526 13.9526 14.6027 14.6027 15.7563 15.7563 16.3098 16.3098 k = 0.5000 0.2694 0.2313 ( 6528 PWs) bands (ev): -39.9720 -39.9720 -39.9675 -39.9675 -12.0509 -12.0509 -12.0329 -12.0329 -11.8868 -11.8868 -11.8651 -11.8651 -11.8537 -11.8537 -11.8352 -11.8352 3.3879 3.3879 5.8203 5.8203 5.8297 5.8297 6.0709 6.0709 6.2726 6.2726 6.7976 6.7976 7.2071 7.2071 7.2216 7.2216 7.6210 7.6210 7.6533 7.6533 7.8102 7.8102 8.0905 8.0905 8.4451 8.4451 8.7027 8.7027 8.8815 8.8815 8.9163 8.9163 9.7695 9.7695 9.8549 9.8549 10.0570 10.0570 10.4879 10.4879 10.6819 10.6819 12.4349 12.4349 12.9947 12.9947 13.9647 13.9647 14.6237 14.6237 15.6986 15.6986 16.2507 16.2507 k = 0.5000 0.2791 0.2177 ( 6538 PWs) bands (ev): -39.9720 -39.9720 -39.9675 -39.9675 -12.0510 -12.0510 -12.0329 -12.0329 -11.8869 -11.8869 -11.8652 -11.8652 -11.8537 -11.8537 -11.8352 -11.8352 3.3819 3.3819 5.8195 5.8195 5.8255 5.8255 6.0689 6.0689 6.2688 6.2688 6.8057 6.8057 7.2093 7.2093 7.2195 7.2195 7.6287 7.6287 7.6508 7.6508 7.8132 7.8132 8.0869 8.0869 8.4454 8.4454 8.6978 8.6978 8.8827 8.8827 8.9113 8.9113 9.7711 9.7711 9.8559 9.8559 10.0559 10.0559 10.4917 10.4917 10.6838 10.6838 12.4576 12.4576 13.0203 13.0203 13.9724 13.9724 14.6390 14.6390 15.6607 15.6607 16.2147 16.2147 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -39.9720 -39.9720 -39.9675 -39.9675 -12.0511 -12.0511 -12.0329 -12.0329 -11.8869 -11.8869 -11.8652 -11.8652 -11.8537 -11.8537 -11.8352 -11.8352 3.3799 3.3799 5.8189 5.8189 5.8245 5.8245 6.0682 6.0682 6.2676 6.2676 6.8084 6.8084 7.2102 7.2102 7.2187 7.2187 7.6316 7.6316 7.6496 7.6496 7.8142 7.8142 8.0856 8.0856 8.4456 8.4456 8.6962 8.6962 8.8832 8.8832 8.9096 8.9096 9.7717 9.7717 9.8563 9.8563 10.0555 10.0555 10.4930 10.4930 10.6844 10.6844 12.4653 12.4653 13.0288 13.0288 13.9751 13.9751 14.6446 14.6446 15.6475 15.6475 16.2026 16.2026 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -39.9720 -39.9720 -39.9675 -39.9675 -12.0511 -12.0511 -12.0329 -12.0329 -11.8869 -11.8869 -11.8652 -11.8652 -11.8537 -11.8537 -11.8352 -11.8352 3.3799 3.3799 5.8189 5.8189 5.8245 5.8245 6.0682 6.0682 6.2676 6.2676 6.8084 6.8084 7.2102 7.2102 7.2187 7.2187 7.6316 7.6316 7.6496 7.6496 7.8142 7.8142 8.0856 8.0856 8.4456 8.4456 8.6962 8.6962 8.8832 8.8832 8.9096 8.9096 9.7717 9.7717 9.8563 9.8563 10.0555 10.0555 10.4930 10.4930 10.6844 10.6844 12.4653 12.4653 13.0288 13.0288 13.9751 13.9751 14.6446 14.6446 15.6475 15.6475 16.2026 16.2026 k = 0.4952 0.2859 0.2198 ( 6532 PWs) bands (ev): -39.9720 -39.9720 -39.9675 -39.9675 -12.0510 -12.0510 -12.0329 -12.0329 -11.8869 -11.8869 -11.8652 -11.8652 -11.8536 -11.8536 -11.8352 -11.8352 3.3819 3.3819 5.8195 5.8195 5.8255 5.8255 6.0689 6.0689 6.2688 6.2688 6.8057 6.8057 7.2093 7.2093 7.2195 7.2195 7.6287 7.6287 7.6508 7.6508 7.8132 7.8132 8.0869 8.0869 8.4454 8.4454 8.6978 8.6978 8.8827 8.8827 8.9113 8.9113 9.7711 9.7711 9.8559 9.8559 10.0559 10.0559 10.4917 10.4917 10.6838 10.6838 12.4576 12.4576 13.0203 13.0203 13.9724 13.9724 14.6390 14.6390 15.6607 15.6607 16.2147 16.2147 k = 0.4904 0.2831 0.2355 ( 6534 PWs) bands (ev): -39.9720 -39.9720 -39.9675 -39.9675 -12.0509 -12.0509 -12.0329 -12.0329 -11.8869 -11.8869 -11.8652 -11.8652 -11.8537 -11.8537 -11.8352 -11.8352 3.3879 3.3879 5.8202 5.8202 5.8297 5.8297 6.0709 6.0709 6.2726 6.2726 6.7976 6.7976 7.2071 7.2071 7.2216 7.2216 7.6210 7.6210 7.6533 7.6533 7.8102 7.8102 8.0905 8.0905 8.4451 8.4451 8.7027 8.7027 8.8815 8.8815 8.9163 8.9163 9.7695 9.7695 9.8549 9.8549 10.0570 10.0570 10.4879 10.4879 10.6819 10.6819 12.4349 12.4349 12.9947 12.9947 13.9648 13.9648 14.6236 14.6236 15.6986 15.6986 16.2506 16.2506 k = 0.4856 0.2803 0.2512 ( 6535 PWs) bands (ev): -39.9719 -39.9719 -39.9675 -39.9675 -12.0509 -12.0509 -12.0330 -12.0330 -11.8869 -11.8869 -11.8651 -11.8651 -11.8537 -11.8537 -11.8352 -11.8352 3.3979 3.3979 5.8202 5.8202 5.8380 5.8380 6.0743 6.0743 6.2789 6.2789 6.7844 6.7844 7.2036 7.2036 7.2247 7.2247 7.6095 7.6095 7.6564 7.6564 7.8058 7.8058 8.0956 8.0956 8.4449 8.4449 8.7105 8.7105 8.8802 8.8802 8.9239 8.9239 9.7667 9.7667 9.8533 9.8533 10.0590 10.0590 10.4814 10.4814 10.6789 10.6789 12.3980 12.3980 12.9522 12.9522 13.9536 13.9536 14.6016 14.6016 15.7570 15.7570 16.3093 16.3093 k = 0.4808 0.2776 0.2669 ( 6532 PWs) bands (ev): -39.9719 -39.9719 -39.9675 -39.9675 -12.0508 -12.0508 -12.0331 -12.0331 -11.8869 -11.8869 -11.8650 -11.8650 -11.8538 -11.8538 -11.8352 -11.8352 3.4118 3.4118 5.8195 5.8195 5.8500 5.8500 6.0790 6.0790 6.2877 6.2877 6.7661 6.7661 7.1991 7.1991 7.2287 7.2287 7.5950 7.5950 7.6598 7.6598 7.8006 7.8006 8.1011 8.1011 8.4452 8.4452 8.7207 8.7207 8.8790 8.8790 8.9337 8.9337 9.7626 9.7626 9.8512 9.8512 10.0618 10.0618 10.4722 10.4722 10.6751 10.6751 12.3479 12.3479 12.8936 12.8936 13.9403 13.9403 14.5763 14.5763 15.8310 15.8310 16.3889 16.3889 k = 0.4760 0.2748 0.2826 ( 6532 PWs) bands (ev): -39.9719 -39.9719 -39.9675 -39.9675 -12.0507 -12.0507 -12.0332 -12.0332 -11.8869 -11.8869 -11.8648 -11.8648 -11.8539 -11.8539 -11.8352 -11.8352 3.4297 3.4297 5.8183 5.8183 5.8654 5.8654 6.0851 6.0851 6.2989 6.2989 6.7433 6.7433 7.1934 7.1934 7.2333 7.2333 7.5780 7.5780 7.6634 7.6634 7.7952 7.7952 8.1062 8.1062 8.4463 8.4463 8.7330 8.7330 8.8779 8.8779 8.9455 8.9455 9.7570 9.7570 9.8487 9.8487 10.0655 10.0655 10.4602 10.4602 10.6707 10.6707 12.2863 12.2863 12.8202 12.8202 13.9262 13.9262 14.5503 14.5503 15.9166 15.9166 16.4869 16.4869 k = 0.4712 0.2720 0.2983 ( 6534 PWs) bands (ev): -39.9719 -39.9719 -39.9676 -39.9676 -12.0506 -12.0506 -12.0334 -12.0334 -11.8870 -11.8870 -11.8646 -11.8646 -11.8541 -11.8541 -11.8351 -11.8351 3.4514 3.4514 5.8166 5.8166 5.8842 5.8842 6.0925 6.0925 6.3127 6.3127 6.7163 6.7163 7.1867 7.1867 7.2385 7.2385 7.5593 7.5593 7.6671 7.6671 7.7900 7.7900 8.1101 8.1101 8.4486 8.4486 8.7466 8.7466 8.8770 8.8770 8.9589 8.9589 9.7499 9.7499 9.8458 9.8458 10.0701 10.0701 10.4451 10.4451 10.6658 10.6658 12.2144 12.2144 12.7342 12.7342 13.9121 13.9121 14.5253 14.5253 16.0111 16.0111 16.6003 16.6003 k = 0.4663 0.2692 0.3140 ( 6534 PWs) bands (ev): -39.9718 -39.9718 -39.9676 -39.9676 -12.0505 -12.0505 -12.0336 -12.0336 -11.8870 -11.8870 -11.8644 -11.8644 -11.8542 -11.8542 -11.8351 -11.8351 3.4769 3.4769 5.8141 5.8141 5.9061 5.9061 6.1013 6.1013 6.3288 6.3288 6.6856 6.6856 7.1788 7.1788 7.2441 7.2441 7.5394 7.5394 7.6708 7.6708 7.7850 7.7850 8.1124 8.1124 8.4521 8.4521 8.7611 8.7611 8.8764 8.8764 8.9736 8.9736 9.7412 9.7412 9.8427 9.8427 10.0755 10.0755 10.4271 10.4271 10.6607 10.6607 12.1339 12.1339 12.6381 12.6381 13.8984 13.8984 14.5021 14.5021 16.1128 16.1128 16.7256 16.7256 k = 0.4615 0.2665 0.3297 ( 6539 PWs) bands (ev): -39.9718 -39.9718 -39.9677 -39.9677 -12.0504 -12.0504 -12.0338 -12.0338 -11.8870 -11.8870 -11.8642 -11.8642 -11.8544 -11.8544 -11.8351 -11.8351 3.5061 3.5061 5.8106 5.8106 5.9309 5.9309 6.1117 6.1117 6.3472 6.3472 6.6521 6.6521 7.1699 7.1699 7.2498 7.2498 7.5189 7.5189 7.6743 7.6743 7.7807 7.7807 8.1131 8.1131 8.4567 8.4567 8.7758 8.7758 8.8763 8.8763 8.9894 8.9894 9.7306 9.7306 9.8396 9.8396 10.0816 10.0816 10.4063 10.4063 10.6556 10.6556 12.0461 12.0461 12.5350 12.5350 13.8851 13.8851 14.4809 14.4809 16.2207 16.2207 16.8597 16.8597 k = 0.4567 0.2637 0.3454 ( 6538 PWs) bands (ev): -39.9717 -39.9717 -39.9677 -39.9677 -12.0502 -12.0502 -12.0340 -12.0340 -11.8870 -11.8870 -11.8640 -11.8640 -11.8546 -11.8546 -11.8351 -11.8351 3.5389 3.5389 5.8058 5.8058 5.9584 5.9584 6.1238 6.1238 6.3674 6.3674 6.6166 6.6166 7.1601 7.1601 7.2554 7.2554 7.4983 7.4983 7.6774 7.6774 7.7770 7.7770 8.1122 8.1122 8.4623 8.4623 8.7897 8.7897 8.8771 8.8771 9.0058 9.0058 9.7183 9.7183 9.8363 9.8363 10.0883 10.0883 10.3826 10.3826 10.6502 10.6502 11.9523 11.9523 12.4277 12.4277 13.8720 13.8720 14.4619 14.4619 16.3342 16.3342 16.9993 16.9993 k = 0.4519 0.2609 0.3611 ( 6539 PWs) bands (ev): -39.9717 -39.9717 -39.9678 -39.9678 -12.0501 -12.0501 -12.0342 -12.0342 -11.8870 -11.8870 -11.8638 -11.8638 -11.8548 -11.8548 -11.8351 -11.8351 3.5751 3.5751 5.7996 5.7996 5.9879 5.9879 6.1378 6.1378 6.3888 6.3888 6.5808 6.5808 7.1493 7.1493 7.2607 7.2607 7.4777 7.4777 7.6799 7.6799 7.7741 7.7741 8.1102 8.1102 8.4685 8.4685 8.8016 8.8016 8.8796 8.8796 9.0225 9.0225 9.7043 9.7043 9.8330 9.8330 10.0951 10.0951 10.3565 10.3565 10.6446 10.6446 11.8541 11.8541 12.3190 12.3190 13.8588 13.8588 14.4449 14.4449 16.4528 16.4528 17.1414 17.1414 k = 0.4471 0.2581 0.3768 ( 6539 PWs) bands (ev): -39.9716 -39.9716 -39.9678 -39.9678 -12.0499 -12.0499 -12.0345 -12.0345 -11.8870 -11.8870 -11.8635 -11.8635 -11.8550 -11.8550 -11.8351 -11.8351 3.6147 3.6147 5.7913 5.7913 6.0187 6.0187 6.1545 6.1545 6.4090 6.4090 6.5478 6.5478 7.1376 7.1376 7.2656 7.2656 7.4575 7.4575 7.6817 7.6817 7.7720 7.7720 8.1075 8.1075 8.4753 8.4753 8.8100 8.8100 8.8849 8.8849 9.0390 9.0390 9.6888 9.6888 9.8296 9.8296 10.1017 10.1017 10.3282 10.3282 10.6384 10.6384 11.7527 11.7527 12.2115 12.2115 13.8455 13.8455 14.4296 14.4296 16.5760 16.5760 17.2827 17.2827 k = 0.4423 0.2554 0.3925 ( 6539 PWs) bands (ev): -39.9715 -39.9715 -39.9679 -39.9679 -12.0496 -12.0496 -12.0348 -12.0348 -11.8870 -11.8870 -11.8633 -11.8633 -11.8552 -11.8552 -11.8351 -11.8351 3.6574 3.6574 5.7806 5.7806 6.0495 6.0495 6.1748 6.1748 6.4214 6.4214 6.5252 6.5252 7.1253 7.1253 7.2697 7.2697 7.4375 7.4375 7.6826 7.6826 7.7705 7.7705 8.1046 8.1046 8.4823 8.4823 8.8140 8.8140 8.8936 8.8936 9.0546 9.0546 9.6722 9.6722 9.8260 9.8260 10.1073 10.1073 10.2982 10.2982 10.6314 10.6314 11.6495 11.6495 12.1076 12.1076 13.8318 13.8318 14.4158 14.4158 16.7034 16.7034 17.4188 17.4188 k = 0.4375 0.2526 0.4082 ( 6545 PWs) bands (ev): -39.9715 -39.9715 -39.9680 -39.9680 -12.0494 -12.0494 -12.0351 -12.0351 -11.8870 -11.8870 -11.8631 -11.8631 -11.8554 -11.8554 -11.8351 -11.8351 3.7031 3.7031 5.7670 5.7670 6.0786 6.0786 6.2000 6.2000 6.4142 6.4142 6.5258 6.5258 7.1123 7.1123 7.2729 7.2729 7.4178 7.4178 7.6829 7.6829 7.7693 7.7693 8.1021 8.1021 8.4897 8.4897 8.8138 8.8138 8.9050 8.9050 9.0688 9.0688 9.6547 9.6547 9.8221 9.8221 10.1108 10.1108 10.2670 10.2670 10.6230 10.6230 11.5462 11.5462 12.0095 12.0095 13.8178 13.8178 14.4034 14.4034 16.8346 16.8346 17.5425 17.5425 k = 0.4327 0.2498 0.4240 ( 6547 PWs) bands (ev): -39.9714 -39.9714 -39.9680 -39.9680 -12.0492 -12.0492 -12.0355 -12.0355 -11.8870 -11.8870 -11.8630 -11.8630 -11.8555 -11.8555 -11.8351 -11.8351 3.7515 3.7515 5.7497 5.7497 6.1042 6.1042 6.2315 6.2315 6.3907 6.3907 6.5476 6.5476 7.0989 7.0989 7.2750 7.2750 7.3984 7.3984 7.6824 7.6824 7.7680 7.7680 8.1006 8.1006 8.4973 8.4973 8.8100 8.8100 8.9179 8.9179 9.0810 9.0810 9.6370 9.6370 9.8179 9.8179 10.1108 10.1108 10.2359 10.2359 10.6130 10.6130 11.4441 11.4441 11.9194 11.9194 13.8034 13.8034 14.3919 14.3919 16.9690 16.9690 17.6396 17.6396 k = 0.4279 0.2470 0.4397 ( 6546 PWs) bands (ev): -39.9713 -39.9713 -39.9681 -39.9681 -12.0489 -12.0489 -12.0358 -12.0358 -11.8869 -11.8869 -11.8628 -11.8628 -11.8556 -11.8556 -11.8351 -11.8351 3.8023 3.8023 5.7282 5.7282 6.1254 6.1254 6.2695 6.2695 6.3633 6.3633 6.5796 6.5796 7.0852 7.0852 7.2760 7.2760 7.3792 7.3792 7.6814 7.6814 7.7661 7.7661 8.1006 8.1006 8.5053 8.5053 8.8035 8.8035 8.9310 8.9310 9.0904 9.0904 9.6194 9.6194 9.8130 9.8130 10.1044 10.1044 10.2067 10.2067 10.6013 10.6013 11.3447 11.3447 11.8392 11.8392 13.7889 13.7889 14.3813 14.3813 17.1059 17.1059 17.6865 17.6865 k = 0.4231 0.2443 0.4554 ( 6541 PWs) bands (ev): -39.9712 -39.9712 -39.9682 -39.9682 -12.0486 -12.0486 -12.0362 -12.0362 -11.8869 -11.8869 -11.8627 -11.8627 -11.8557 -11.8557 -11.8351 -11.8351 3.8552 3.8552 5.7020 5.7020 6.1421 6.1421 6.3116 6.3116 6.3401 6.3401 6.6167 6.6167 7.0712 7.0712 7.2756 7.2756 7.3603 7.3603 7.6797 7.6797 7.7629 7.7629 8.1027 8.1027 8.5138 8.5138 8.7946 8.7946 8.9433 8.9433 9.0964 9.0964 9.6025 9.6025 9.8073 9.8073 10.0888 10.0888 10.1821 10.1821 10.5878 10.5878 11.2493 11.2493 11.7708 11.7708 13.7743 13.7743 14.3714 14.3714 17.2436 17.2436 17.6696 17.6696 k = 0.4183 0.2415 0.4711 ( 6541 PWs) bands (ev): -39.9711 -39.9711 -39.9683 -39.9683 -12.0483 -12.0483 -12.0365 -12.0365 -11.8869 -11.8869 -11.8627 -11.8627 -11.8556 -11.8556 -11.8351 -11.8351 3.9098 3.9098 5.6707 5.6707 6.1547 6.1547 6.3147 6.3147 6.3659 6.3659 6.6573 6.6573 7.0571 7.0571 7.2738 7.2738 7.3420 7.3420 7.6773 7.6773 7.7582 7.7582 8.1073 8.1073 8.5227 8.5227 8.7835 8.7835 8.9539 8.9539 9.0984 9.0984 9.5869 9.5869 9.8003 9.8003 10.0628 10.0628 10.1628 10.1628 10.5733 10.5733 11.1590 11.1590 11.7155 11.7155 13.7597 13.7597 14.3619 14.3619 17.3749 17.3749 17.6131 17.6131 k = 0.4135 0.2387 0.4868 ( 6547 PWs) bands (ev): -39.9711 -39.9711 -39.9684 -39.9684 -12.0481 -12.0481 -12.0369 -12.0369 -11.8868 -11.8868 -11.8628 -11.8628 -11.8556 -11.8556 -11.8352 -11.8352 3.9657 3.9657 5.6345 5.6345 6.1637 6.1637 6.3015 6.3015 6.4181 6.4181 6.7003 6.7003 7.0431 7.0431 7.2704 7.2704 7.3245 7.3245 7.6736 7.6736 7.7522 7.7522 8.1148 8.1148 8.5324 8.5324 8.7699 8.7699 8.9621 8.9621 9.0961 9.0961 9.5728 9.5728 9.7914 9.7914 10.0296 10.0296 10.1460 10.1460 10.5589 10.5589 11.0744 11.0744 11.6742 11.6742 13.7452 13.7452 14.3529 14.3529 17.4395 17.4395 17.6015 17.6015 k = 0.4087 0.2359 0.5025 ( 6557 PWs) bands (ev): -39.9710 -39.9710 -39.9685 -39.9685 -12.0478 -12.0478 -12.0373 -12.0373 -11.8868 -11.8868 -11.8629 -11.8629 -11.8554 -11.8554 -11.8352 -11.8352 4.0222 4.0222 5.5935 5.5935 6.1695 6.1695 6.2944 6.2944 6.4739 6.4739 6.7449 6.7449 7.0293 7.0293 7.2651 7.2651 7.3086 7.3086 7.6679 7.6679 7.7456 7.7456 8.1249 8.1249 8.5427 8.5427 8.7539 8.7539 8.9671 8.9671 9.0893 9.0893 9.5602 9.5602 9.7795 9.7795 9.9940 9.9940 10.1287 10.1287 10.5458 10.5458 10.9961 10.9961 11.6472 11.6472 13.7310 13.7310 14.3440 14.3440 17.3690 17.3690 17.7161 17.7161 k = 0.4038 0.2332 0.5182 ( 6550 PWs) bands (ev): -39.9709 -39.9709 -39.9686 -39.9686 -12.0475 -12.0475 -12.0377 -12.0377 -11.8867 -11.8867 -11.8631 -11.8631 -11.8552 -11.8552 -11.8353 -11.8353 4.0786 4.0786 5.5485 5.5485 6.1732 6.1732 6.2933 6.2933 6.5318 6.5318 6.7902 6.7902 7.0164 7.0164 7.2577 7.2577 7.2949 7.2949 7.6593 7.6593 7.7394 7.7394 8.1374 8.1374 8.5536 8.5536 8.7354 8.7354 8.9683 8.9683 9.0781 9.0781 9.5491 9.5491 9.7631 9.7631 9.9602 9.9602 10.1096 10.1096 10.5351 10.5351 10.9247 10.9247 11.6337 11.6337 13.7171 13.7171 14.3354 14.3354 17.2662 17.2662 17.8599 17.8599 k = 0.3990 0.2304 0.5339 ( 6551 PWs) bands (ev): -39.9708 -39.9708 -39.9687 -39.9687 -12.0472 -12.0472 -12.0380 -12.0380 -11.8866 -11.8866 -11.8634 -11.8634 -11.8549 -11.8549 -11.8353 -11.8353 4.1342 4.1342 5.5005 5.5005 6.1765 6.1765 6.2966 6.2966 6.5907 6.5907 6.8341 6.8341 7.0060 7.0060 7.2483 7.2483 7.2839 7.2839 7.6473 7.6473 7.7348 7.7348 8.1514 8.1514 8.5647 8.5647 8.7145 8.7145 8.9653 8.9653 9.0626 9.0626 9.5393 9.5393 9.7406 9.7406 9.9319 9.9319 10.0892 10.0892 10.5273 10.5273 10.8606 10.8606 11.6329 11.6329 13.7038 13.7038 14.3269 14.3269 17.1567 17.1567 18.0098 18.0098 k = 0.3942 0.2276 0.5496 ( 6551 PWs) bands (ev): -39.9707 -39.9707 -39.9688 -39.9688 -12.0468 -12.0468 -12.0384 -12.0384 -11.8865 -11.8865 -11.8637 -11.8637 -11.8546 -11.8546 -11.8354 -11.8354 4.1879 4.1879 5.4507 5.4507 6.1805 6.1805 6.3032 6.3032 6.6491 6.6491 6.8720 6.8720 7.0020 7.0020 7.2382 7.2382 7.2751 7.2751 7.6323 7.6323 7.7322 7.7322 8.1658 8.1658 8.5749 8.5749 8.6926 8.6926 8.9581 8.9581 9.0429 9.0429 9.5305 9.5305 9.7114 9.7114 9.9115 9.9115 10.0685 10.0685 10.5223 10.5223 10.8042 10.8042 11.6432 11.6432 13.6911 13.6911 14.3184 14.3184 17.0450 17.0450 18.1622 18.1622 k = 0.3894 0.2248 0.5653 ( 6551 PWs) bands (ev): -39.9706 -39.9706 -39.9689 -39.9689 -12.0465 -12.0465 -12.0388 -12.0388 -11.8864 -11.8864 -11.8641 -11.8641 -11.8542 -11.8542 -11.8355 -11.8355 4.2384 4.2384 5.4004 5.4004 6.1860 6.1860 6.3119 6.3119 6.7046 6.7046 6.8962 6.8962 7.0117 7.0117 7.2296 7.2296 7.2682 7.2682 7.6156 7.6156 7.7315 7.7315 8.1787 8.1787 8.5818 8.5818 8.6728 8.6728 8.9469 8.9469 9.0195 9.0195 9.5227 9.5227 9.6769 9.6769 9.8992 9.8992 10.0494 10.0494 10.5194 10.5194 10.7562 10.7562 11.6632 11.6632 13.6791 13.6791 14.3099 14.3099 16.9327 16.9327 18.3153 18.3153 k = 0.3846 0.2221 0.5810 ( 6554 PWs) bands (ev): -39.9705 -39.9705 -39.9689 -39.9689 -12.0463 -12.0463 -12.0391 -12.0391 -11.8863 -11.8863 -11.8645 -11.8645 -11.8538 -11.8538 -11.8356 -11.8356 4.2843 4.2843 5.3512 5.3512 6.1932 6.1932 6.3224 6.3224 6.7525 6.7525 6.9056 6.9056 7.0366 7.0366 7.2244 7.2244 7.2636 7.2636 7.5990 7.5990 7.7326 7.7326 8.1879 8.1879 8.5808 8.5808 8.6612 8.6612 8.9317 8.9317 8.9931 8.9931 9.5155 9.5155 9.6401 9.6401 9.8935 9.8935 10.0333 10.0333 10.5177 10.5177 10.7169 10.7169 11.6916 11.6916 13.6679 13.6679 14.3015 14.3015 16.8206 16.8206 18.4671 18.4671 k = 0.3798 0.2193 0.5967 ( 6550 PWs) bands (ev): -39.9704 -39.9704 -39.9690 -39.9690 -12.0460 -12.0460 -12.0394 -12.0394 -11.8861 -11.8861 -11.8650 -11.8650 -11.8533 -11.8533 -11.8357 -11.8357 4.3236 4.3236 5.3050 5.3050 6.2017 6.2017 6.3350 6.3350 6.7837 6.7837 6.9138 6.9138 7.0649 7.0649 7.2245 7.2245 7.2643 7.2643 7.5847 7.5847 7.7354 7.7354 8.1902 8.1902 8.5707 8.5707 8.6612 8.6612 8.9124 8.9124 8.9658 8.9658 9.5073 9.5073 9.6052 9.6052 9.8925 9.8925 10.0213 10.0213 10.5156 10.5156 10.6870 10.6870 11.7270 11.7270 13.6576 13.6576 14.2930 14.2930 16.7090 16.7090 18.6113 18.6113 k = 0.3750 0.2165 0.6124 ( 6559 PWs) bands (ev): -39.9704 -39.9704 -39.9691 -39.9691 -12.0458 -12.0458 -12.0396 -12.0396 -11.8860 -11.8860 -11.8655 -11.8655 -11.8529 -11.8529 -11.8358 -11.8358 4.3544 4.3544 5.2636 5.2636 6.2111 6.2111 6.3501 6.3501 6.7905 6.7905 6.9320 6.9320 7.0847 7.0847 7.2293 7.2293 7.2765 7.2765 7.5752 7.5752 7.7400 7.7400 8.1824 8.1824 8.5589 8.5589 8.6676 8.6676 8.8888 8.8888 8.9405 8.9405 9.4938 9.4938 9.5790 9.5790 9.8946 9.8946 10.0143 10.0143 10.5120 10.5120 10.6670 10.6670 11.7686 11.7686 13.6482 13.6482 14.2844 14.2844 16.5982 16.5982 18.7198 18.7198 k = 0.6250-0.0722 0.4082 ( 6559 PWs) bands (ev): -39.9704 -39.9704 -39.9691 -39.9691 -12.0458 -12.0458 -12.0396 -12.0396 -11.8860 -11.8860 -11.8655 -11.8655 -11.8529 -11.8529 -11.8358 -11.8358 4.3545 4.3545 5.2635 5.2635 6.2111 6.2111 6.3502 6.3502 6.7904 6.7904 6.9319 6.9319 7.0847 7.0847 7.2293 7.2293 7.2765 7.2765 7.5752 7.5752 7.7400 7.7400 8.1824 8.1824 8.5589 8.5589 8.6675 8.6675 8.8888 8.8888 8.9406 8.9406 9.4937 9.4937 9.5791 9.5791 9.8946 9.8946 10.0142 10.0142 10.5121 10.5121 10.6670 10.6670 11.7685 11.7685 13.6482 13.6482 14.2845 14.2845 16.5982 16.5982 18.7197 18.7198 k = 0.6167-0.0866 0.4082 ( 6541 PWs) bands (ev): -39.9703 -39.9703 -39.9691 -39.9691 -12.0454 -12.0454 -12.0399 -12.0399 -11.8856 -11.8856 -11.8663 -11.8663 -11.8521 -11.8521 -11.8360 -11.8360 4.3977 4.3977 5.1975 5.1975 6.2289 6.2289 6.3790 6.3790 6.7816 6.7816 6.9662 6.9662 7.1066 7.1066 7.2391 7.2391 7.3129 7.3129 7.5689 7.5689 7.7507 7.7507 8.1582 8.1582 8.5402 8.5402 8.6816 8.6816 8.8438 8.8438 8.9002 8.9002 9.4627 9.4627 9.5455 9.5455 9.8992 9.8992 10.0067 10.0067 10.5045 10.5045 10.6424 10.6424 11.8510 11.8510 13.6331 13.6331 14.2700 14.2700 16.4073 16.4073 18.8344 18.8344 k = 0.6083-0.1010 0.4082 ( 6537 PWs) bands (ev): -39.9702 -39.9702 -39.9692 -39.9692 -12.0452 -12.0452 -12.0402 -12.0402 -11.8853 -11.8853 -11.8671 -11.8671 -11.8513 -11.8513 -11.8362 -11.8362 4.4381 4.4381 5.1333 5.1333 6.2492 6.2492 6.4075 6.4075 6.7718 6.7718 6.9912 6.9912 7.1269 7.1269 7.2518 7.2518 7.3471 7.3471 7.5725 7.5725 7.7635 7.7635 8.1335 8.1335 8.5212 8.5212 8.6959 8.6959 8.7980 8.7980 8.8603 8.8603 9.4322 9.4322 9.5122 9.5122 9.9020 9.9020 9.9987 9.9987 10.4980 10.4980 10.6205 10.6205 11.9446 11.9446 13.6187 13.6187 14.2562 14.2562 16.2175 16.2175 18.9427 18.9427 k = 0.6000-0.1155 0.4082 ( 6545 PWs) bands (ev): -39.9702 -39.9702 -39.9693 -39.9693 -12.0449 -12.0449 -12.0405 -12.0405 -11.8850 -11.8850 -11.8680 -11.8680 -11.8505 -11.8505 -11.8365 -11.8365 4.4755 4.4755 5.0718 5.0718 6.2710 6.2710 6.4352 6.4352 6.7619 6.7619 7.0052 7.0052 7.1468 7.1468 7.2711 7.2711 7.3733 7.3733 7.5878 7.5878 7.7779 7.7779 8.1088 8.1088 8.5027 8.5027 8.7077 8.7077 8.7526 8.7526 8.8216 8.8216 9.4025 9.4025 9.4798 9.4798 9.9036 9.9036 9.9898 9.9898 10.4927 10.4927 10.6012 10.6012 12.0485 12.0485 13.6049 13.6049 14.2431 14.2431 16.0291 16.0291 19.0490 19.0490 k = 0.5917-0.1299 0.4082 ( 6545 PWs) bands (ev): -39.9701 -39.9701 -39.9694 -39.9694 -12.0446 -12.0446 -12.0408 -12.0408 -11.8846 -11.8846 -11.8689 -11.8689 -11.8497 -11.8497 -11.8369 -11.8369 4.5101 4.5101 5.0137 5.0137 6.2937 6.2937 6.4612 6.4612 6.7529 6.7529 7.0089 7.0089 7.1668 7.1668 7.2966 7.2966 7.3898 7.3898 7.6149 7.6149 7.7933 7.7933 8.0851 8.0851 8.4847 8.4847 8.7028 8.7028 8.7199 8.7199 8.7860 8.7860 9.3741 9.3741 9.4485 9.4485 9.9044 9.9044 9.9798 9.9798 10.4885 10.4885 10.5842 10.5842 12.1613 12.1613 13.5919 13.5919 14.2308 14.2308 15.8422 15.8422 19.1560 19.1560 k = 0.5833-0.1443 0.4082 ( 6553 PWs) bands (ev): -39.9700 -39.9700 -39.9694 -39.9694 -12.0444 -12.0444 -12.0410 -12.0410 -11.8842 -11.8842 -11.8698 -11.8698 -11.8490 -11.8490 -11.8372 -11.8372 4.5416 4.5416 4.9596 4.9596 6.3167 6.3167 6.4846 6.4846 6.7461 6.7461 7.0046 7.0046 7.1869 7.1869 7.3263 7.3263 7.3984 7.3984 7.6505 7.6505 7.8090 7.8090 8.0637 8.0637 8.4665 8.4665 8.6615 8.6615 8.7139 8.7139 8.7600 8.7600 9.3474 9.3474 9.4186 9.4186 9.9045 9.9045 9.9690 9.9690 10.4853 10.4853 10.5693 10.5693 12.2821 12.2821 13.5798 13.5798 14.2193 14.2193 15.6571 15.6571 19.2652 19.2652 k = 0.5750-0.1588 0.4082 ( 6553 PWs) bands (ev): -39.9700 -39.9700 -39.9695 -39.9695 -12.0442 -12.0442 -12.0412 -12.0412 -11.8837 -11.8837 -11.8707 -11.8707 -11.8482 -11.8482 -11.8376 -11.8376 4.5701 4.5701 4.9099 4.9099 6.3398 6.3398 6.5045 6.5045 6.7426 6.7426 6.9951 6.9951 7.2067 7.2067 7.3568 7.3568 7.4035 7.4035 7.6900 7.6900 7.8242 7.8242 8.0467 8.0467 8.4469 8.4469 8.6196 8.6196 8.6928 8.6928 8.7506 8.7506 9.3230 9.3230 9.3904 9.3904 9.9041 9.9041 9.9578 9.9578 10.4831 10.4831 10.5562 10.5562 12.4095 12.4095 13.5687 13.5687 14.2087 14.2087 15.4741 15.4741 19.3774 19.3774 k = 0.5667-0.1732 0.4082 ( 6545 PWs) bands (ev): -39.9699 -39.9699 -39.9695 -39.9695 -12.0440 -12.0440 -12.0414 -12.0414 -11.8832 -11.8832 -11.8715 -11.8715 -11.8475 -11.8475 -11.8380 -11.8380 4.5955 4.5955 4.8647 4.8647 6.3623 6.3623 6.5197 6.5197 6.7434 6.7434 6.9823 6.9823 7.2259 7.2259 7.3795 7.3795 7.4141 7.4141 7.7272 7.7272 7.8395 7.8395 8.0368 8.0368 8.4248 8.4248 8.5788 8.5788 8.6665 8.6665 8.7473 8.7473 9.3013 9.3013 9.3640 9.3640 9.9035 9.9035 9.9467 9.9467 10.4819 10.4819 10.5448 10.5448 12.5425 12.5425 13.5585 13.5585 14.1991 14.1991 15.2935 15.2935 19.4929 19.4929 k = 0.5583-0.1876 0.4082 ( 6539 PWs) bands (ev): -39.9699 -39.9699 -39.9696 -39.9696 -12.0438 -12.0438 -12.0416 -12.0416 -11.8826 -11.8826 -11.8723 -11.8723 -11.8467 -11.8467 -11.8384 -11.8384 4.6180 4.6180 4.8245 4.8245 6.3841 6.3841 6.5297 6.5297 6.7490 6.7490 6.9679 6.9679 7.2444 7.2444 7.3850 7.3850 7.4400 7.4400 7.7537 7.7537 7.8597 7.8597 8.0361 8.0361 8.3994 8.3994 8.5385 8.5385 8.6439 8.6439 8.7427 8.7427 9.2826 9.2826 9.3396 9.3396 9.9026 9.9026 9.9361 9.9361 10.4814 10.4814 10.5348 10.5348 12.6799 12.6799 13.5494 13.5494 14.1904 14.1904 15.1157 15.1157 19.6119 19.6119 k = 0.5500-0.2021 0.4082 ( 6539 PWs) bands (ev): -39.9698 -39.9698 -39.9696 -39.9696 -12.0436 -12.0436 -12.0418 -12.0418 -11.8820 -11.8820 -11.8732 -11.8732 -11.8460 -11.8460 -11.8388 -11.8388 4.6373 4.6373 4.7894 4.7894 6.4049 6.4049 6.5345 6.5345 6.7592 6.7592 6.9525 6.9525 7.2619 7.2619 7.3827 7.3827 7.4716 7.4716 7.7618 7.7618 7.8908 7.8908 8.0450 8.0450 8.3709 8.3709 8.4979 8.4979 8.6279 8.6279 8.7352 8.7352 9.2671 9.2671 9.3174 9.3174 9.9016 9.9016 9.9264 9.9264 10.4817 10.4817 10.5262 10.5262 12.8203 12.8203 13.5414 13.5414 14.1828 14.1828 14.9414 14.9414 19.7344 19.7344 k = 0.5417-0.2165 0.4082 ( 6527 PWs) bands (ev): -39.9698 -39.9698 -39.9696 -39.9696 -12.0434 -12.0434 -12.0419 -12.0419 -11.8814 -11.8814 -11.8740 -11.8740 -11.8453 -11.8453 -11.8393 -11.8393 4.6537 4.6537 4.7594 4.7594 6.4244 6.4244 6.5348 6.5348 6.7730 6.7730 6.9368 6.9368 7.2784 7.2784 7.3781 7.3781 7.5035 7.5035 7.7543 7.7543 7.9307 7.9307 8.0620 8.0620 8.3399 8.3399 8.4565 8.4565 8.6189 8.6189 8.7248 8.7248 9.2550 9.2550 9.2975 9.2975 9.9006 9.9006 9.9179 9.9179 10.4826 10.4826 10.5187 10.5187 12.9623 12.9623 13.5346 13.5346 14.1762 14.1762 14.7715 14.7715 19.8604 19.8604 k = 0.5333-0.2309 0.4082 ( 6547 PWs) bands (ev): -39.9698 -39.9698 -39.9697 -39.9697 -12.0433 -12.0433 -12.0421 -12.0421 -11.8808 -11.8808 -11.8749 -11.8749 -11.8446 -11.8446 -11.8398 -11.8398 4.6670 4.6670 4.7347 4.7347 6.4425 6.4425 6.5317 6.5317 6.7891 6.7891 6.9210 6.9210 7.2938 7.2938 7.3725 7.3725 7.5343 7.5343 7.7378 7.7378 7.9741 7.9741 8.0847 8.0847 8.3078 8.3078 8.4143 8.4143 8.6163 8.6163 8.7118 8.7118 9.2460 9.2460 9.2802 9.2802 9.8996 9.8996 9.9108 9.9108 10.4840 10.4840 10.5123 10.5123 13.1037 13.1037 13.5289 13.5289 14.1708 14.1708 14.6079 14.6079 19.9896 19.9896 k = 0.5250-0.2454 0.4082 ( 6533 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0431 -12.0431 -12.0422 -12.0422 -11.8801 -11.8801 -11.8756 -11.8756 -11.8439 -11.8439 -11.8403 -11.8403 4.6774 4.6774 4.7155 4.7155 6.4590 6.4590 6.5262 6.5262 6.8062 6.8062 6.9052 6.9052 7.3079 7.3079 7.3661 7.3661 7.5637 7.5637 7.7168 7.7168 8.0178 8.0178 8.1106 8.1106 8.2762 8.2762 8.3719 8.3719 8.6191 8.6191 8.6970 8.6970 9.2402 9.2402 9.2658 9.2658 9.8987 9.8987 9.9051 9.9051 10.4859 10.4859 10.5067 10.5067 13.2408 13.2408 13.5244 13.5244 14.1666 14.1666 14.4540 14.4540 20.1216 20.1216 k = 0.5167-0.2598 0.4082 ( 6523 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0429 -12.0429 -12.0423 -12.0423 -11.8794 -11.8794 -11.8764 -11.8764 -11.8432 -11.8432 -11.8408 -11.8408 4.6848 4.6848 4.7017 4.7017 6.4740 6.4740 6.5187 6.5187 6.8236 6.8236 6.8895 6.8895 7.3207 7.3207 7.3590 7.3590 7.5917 7.5917 7.6937 7.6937 8.0596 8.0596 8.1353 8.1353 8.2490 8.2490 8.3301 8.3301 8.6263 8.6263 8.6812 8.6812 9.2372 9.2372 9.2542 9.2542 9.8981 9.8981 9.9010 9.9010 10.4883 10.4883 10.5019 10.5019 13.3660 13.3660 13.5210 13.5210 14.1636 14.1636 14.3170 14.3170 20.2555 20.2555 k = 0.5083-0.2742 0.4082 ( 6526 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0428 -12.0428 -12.0425 -12.0425 -11.8787 -11.8787 -11.8772 -11.8772 -11.8426 -11.8426 -11.8414 -11.8414 4.6892 4.6892 4.6934 4.6934 6.4874 6.4874 6.5097 6.5097 6.8407 6.8407 6.8736 6.8736 7.3321 7.3321 7.3511 7.3511 7.6184 7.6184 7.6693 7.6693 8.0980 8.0980 8.1462 8.1462 8.2382 8.2382 8.2903 8.2903 8.6370 8.6370 8.6653 8.6653 9.2372 9.2372 9.2456 9.2456 9.8976 9.8976 9.8986 9.8986 10.4910 10.4910 10.4978 10.4978 13.4635 13.4635 13.5182 13.5182 14.1621 14.1621 14.2128 14.2128 20.3882 20.3882 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -39.9697 -39.9697 -39.9697 -39.9697 -12.0426 -12.0426 -12.0426 -12.0426 -11.8780 -11.8780 -11.8780 -11.8780 -11.8420 -11.8420 -11.8420 -11.8420 4.6906 4.6906 4.6907 4.6907 6.4992 6.4992 6.4994 6.4994 6.8573 6.8573 6.8575 6.8575 7.3421 7.3421 7.3422 7.3422 7.6442 7.6442 7.6443 7.6443 8.1300 8.1300 8.1302 8.1302 8.2561 8.2561 8.2562 8.2562 8.6502 8.6502 8.6504 8.6504 9.2398 9.2398 9.2400 9.2400 9.8975 9.8975 9.8977 9.8977 10.4941 10.4941 10.4942 10.4942 13.5099 13.5099 13.5099 13.5099 14.1665 14.1665 14.1667 14.1667 20.5035 20.5035 Writing output data file NaPt2.save init_run : 0.28s CPU 0.42s WALL ( 1 calls) electrons : 373.19s CPU 377.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 373.18s CPU 377.22s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.09s WALL ( 282 calls) cegterg : 348.81s CPU 352.03s WALL ( 643 calls) Called by sum_band: Called by *egterg: h_psi : 214.34s CPU 216.05s WALL ( 10751 calls) s_psi : 10.83s CPU 10.91s WALL ( 10751 calls) g_psi : 0.56s CPU 0.56s WALL ( 9826 calls) cdiaghg : 99.93s CPU 100.96s WALL ( 10108 calls) cegterg:over : 15.99s CPU 16.31s WALL ( 9826 calls) cegterg:upda : 14.61s CPU 14.93s WALL ( 9826 calls) cegterg:last : 7.38s CPU 7.36s WALL ( 1489 calls) cdiaghg:chol : 5.75s CPU 5.87s WALL ( 10108 calls) cdiaghg:inve : 4.06s CPU 4.06s WALL ( 10108 calls) cdiaghg:para : 6.92s CPU 6.68s WALL ( 20216 calls) Called by h_psi: h_psi:vloc : 188.82s CPU 190.65s WALL ( 10751 calls) h_psi:vnl : 24.88s CPU 24.75s WALL ( 10751 calls) add_vuspsi : 12.77s CPU 12.75s WALL ( 10751 calls) General routines calbec : 12.09s CPU 11.96s WALL ( 10751 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 177.02s CPU 178.65s WALL ( 1215420 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.41s WALL ( 564 calls) Parallel routines fft_scatter : 54.90s CPU 55.89s WALL ( 1215443 calls) PWSCF : 6m36.04s CPU 6m57.30s WALL This run was terminated on: 21: 3: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=