Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:46:40 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: ./Ba2Ni3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 28 20 5 1598 952 147 Max 29 21 6 1609 975 160 Sum 1027 745 211 57763 34667 5565 bravais-lattice index = 14 lattice parameter (alat) = 7.9388 a.u. unit-cell volume = 942.4256 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.938796 celldm(2)= 1.000000 celldm(3)= 2.174967 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 2.174967 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.459777 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 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 1195 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 Ba 10.00 137.32700 Ba( 1.00) Ni 10.00 58.69340 Ni( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0033223 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0033223 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0033223 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0033223 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0033223 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0033223 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0033223 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0033223 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0033223 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0033223 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0033223 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0033223 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0033223 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0033223 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0033223 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0033223 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0033223 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0033223 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0033223 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0033223 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0033223 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033223 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0033223 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0033223 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0033223 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0033223 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0033223 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0033223 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0033223 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0033223 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0033223 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0033223 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0033223 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0033223 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0033223 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0033223 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0033223 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0033223 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0033223 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0033223 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0033223 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0033223 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0033223 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 47) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0033223 k( 48) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0033223 k( 49) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0033223 k( 50) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0033223 k( 51) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0033223 k( 52) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0033223 k( 53) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0033223 k( 54) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0033223 k( 55) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0033223 k( 56) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0033223 k( 57) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0033223 k( 58) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0033223 k( 59) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0033223 k( 60) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0033223 k( 61) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0033223 k( 62) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0033223 k( 63) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0033223 k( 64) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0033223 k( 65) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0033223 k( 66) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0033223 k( 67) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0033223 k( 68) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0033223 k( 69) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0033223 k( 70) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0033223 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 73) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0033223 k( 74) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0033223 k( 75) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0033223 k( 76) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0033223 k( 77) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0033223 k( 78) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0033223 k( 79) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0033223 k( 80) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0033223 k( 81) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0033223 k( 82) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0033223 k( 83) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0033223 k( 84) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0033223 k( 85) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0033223 k( 86) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0033223 k( 87) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0033223 k( 88) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0033223 k( 89) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0033223 k( 90) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0033223 k( 91) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0033223 k( 92) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0033223 k( 93) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0033223 k( 94) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0033223 k( 95) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0033223 k( 96) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0033223 k( 97) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033223 k( 98) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0033223 k( 99) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0033223 k( 100) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0033223 k( 101) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0033223 k( 102) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0033223 k( 103) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0033223 k( 104) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0033223 k( 105) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0033223 k( 106) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0033223 k( 107) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0033223 k( 108) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0033223 k( 109) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0033223 k( 110) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0033223 k( 111) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0033223 k( 112) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0033223 k( 113) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0033223 k( 114) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0033223 k( 115) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0033223 k( 116) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0033223 k( 117) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0033223 k( 118) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0033223 k( 119) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0033223 k( 120) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0033223 k( 121) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.0127716), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.0255432), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.0383148), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.0510864), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.0638579), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.0766295), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.0894011), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.1021727), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.1149443), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.1277159), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.1404875), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.1532591), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.1660306), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.1788022), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.1915738), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.2043454), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.2171170), wk = 0.0033223 k( 141) = ( 0.0000000 0.0000000 0.2298886), wk = 0.0033223 k( 142) = ( 0.0000000 0.0000000 0.2298886), wk = 0.0033223 k( 143) = ( 0.0113636 0.0065608 0.2298886), wk = 0.0033223 k( 144) = ( 0.0227273 0.0131216 0.2298886), wk = 0.0033223 k( 145) = ( 0.0340909 0.0196824 0.2298886), wk = 0.0033223 k( 146) = ( 0.0454546 0.0262432 0.2298886), wk = 0.0033223 k( 147) = ( 0.0568182 0.0328040 0.2298886), wk = 0.0033223 k( 148) = ( 0.0681818 0.0393648 0.2298886), wk = 0.0033223 k( 149) = ( 0.0795455 0.0459256 0.2298886), wk = 0.0033223 k( 150) = ( 0.0909091 0.0524864 0.2298886), wk = 0.0033223 k( 151) = ( 0.1022727 0.0590472 0.2298886), wk = 0.0033223 k( 152) = ( 0.1136364 0.0656080 0.2298886), wk = 0.0033223 k( 153) = ( 0.1250000 0.0721688 0.2298886), wk = 0.0033223 k( 154) = ( 0.1363636 0.0787296 0.2298886), wk = 0.0033223 k( 155) = ( 0.1477273 0.0852904 0.2298886), wk = 0.0033223 k( 156) = ( 0.1590909 0.0918512 0.2298886), wk = 0.0033223 k( 157) = ( 0.1704546 0.0984120 0.2298886), wk = 0.0033223 k( 158) = ( 0.1818182 0.1049728 0.2298886), wk = 0.0033223 k( 159) = ( 0.1931818 0.1115336 0.2298886), wk = 0.0033223 k( 160) = ( 0.2045454 0.1180944 0.2298886), wk = 0.0033223 k( 161) = ( 0.2159091 0.1246552 0.2298886), wk = 0.0033223 k( 162) = ( 0.2272727 0.1312160 0.2298886), wk = 0.0033223 k( 163) = ( 0.2386364 0.1377768 0.2298886), wk = 0.0033223 k( 164) = ( 0.2500000 0.1443376 0.2298886), wk = 0.0033223 k( 165) = ( 0.2613636 0.1508984 0.2298886), wk = 0.0033223 k( 166) = ( 0.2727273 0.1574592 0.2298886), wk = 0.0033223 k( 167) = ( 0.2840909 0.1640200 0.2298886), wk = 0.0033223 k( 168) = ( 0.2954545 0.1705808 0.2298886), wk = 0.0033223 k( 169) = ( 0.3068182 0.1771416 0.2298886), wk = 0.0033223 k( 170) = ( 0.3181818 0.1837024 0.2298886), wk = 0.0033223 k( 171) = ( 0.3295455 0.1902632 0.2298886), wk = 0.0033223 k( 172) = ( 0.3409091 0.1968240 0.2298886), wk = 0.0033223 k( 173) = ( 0.3522727 0.2033848 0.2298886), wk = 0.0033223 k( 174) = ( 0.3636364 0.2099456 0.2298886), wk = 0.0033223 k( 175) = ( 0.3750000 0.2165064 0.2298886), wk = 0.0033223 k( 176) = ( 0.3863636 0.2230672 0.2298886), wk = 0.0033223 k( 177) = ( 0.3977273 0.2296279 0.2298886), wk = 0.0033223 k( 178) = ( 0.4090909 0.2361887 0.2298886), wk = 0.0033223 k( 179) = ( 0.4204545 0.2427495 0.2298886), wk = 0.0033223 k( 180) = ( 0.4318182 0.2493103 0.2298886), wk = 0.0033223 k( 181) = ( 0.4431818 0.2558711 0.2298886), wk = 0.0033223 k( 182) = ( 0.4545455 0.2624319 0.2298886), wk = 0.0033223 k( 183) = ( 0.4659091 0.2689927 0.2298886), wk = 0.0033223 k( 184) = ( 0.4772727 0.2755535 0.2298886), wk = 0.0033223 k( 185) = ( 0.4886364 0.2821143 0.2298886), wk = 0.0033223 k( 186) = ( 0.5000000 0.2886751 0.2298886), wk = 0.0033223 k( 187) = ( 0.5000000 0.2886751 0.2298886), wk = 0.0033223 k( 188) = ( 0.4933333 0.3002221 0.2298886), wk = 0.0033223 k( 189) = ( 0.4866667 0.3117692 0.2298886), wk = 0.0033223 k( 190) = ( 0.4800000 0.3233162 0.2298886), wk = 0.0033223 k( 191) = ( 0.4733333 0.3348632 0.2298886), wk = 0.0033223 k( 192) = ( 0.4666667 0.3464102 0.2298886), wk = 0.0033223 k( 193) = ( 0.4600000 0.3579572 0.2298886), wk = 0.0033223 k( 194) = ( 0.4533333 0.3695042 0.2298886), wk = 0.0033223 k( 195) = ( 0.4466667 0.3810512 0.2298886), wk = 0.0033223 k( 196) = ( 0.4400000 0.3925982 0.2298886), wk = 0.0033223 k( 197) = ( 0.4333333 0.4041452 0.2298886), wk = 0.0033223 k( 198) = ( 0.4266667 0.4156922 0.2298886), wk = 0.0033223 k( 199) = ( 0.4200000 0.4272392 0.2298886), wk = 0.0033223 k( 200) = ( 0.4133333 0.4387862 0.2298886), wk = 0.0033223 k( 201) = ( 0.4066667 0.4503332 0.2298886), wk = 0.0033223 k( 202) = ( 0.4000000 0.4618802 0.2298886), wk = 0.0033223 k( 203) = ( 0.3933333 0.4734272 0.2298886), wk = 0.0033223 k( 204) = ( 0.3866667 0.4849742 0.2298886), wk = 0.0033223 k( 205) = ( 0.3800000 0.4965212 0.2298886), wk = 0.0033223 k( 206) = ( 0.3733333 0.5080682 0.2298886), wk = 0.0033223 k( 207) = ( 0.3666667 0.5196152 0.2298886), wk = 0.0033223 k( 208) = ( 0.3600000 0.5311622 0.2298886), wk = 0.0033223 k( 209) = ( 0.3533333 0.5427092 0.2298886), wk = 0.0033223 k( 210) = ( 0.3466667 0.5542563 0.2298886), wk = 0.0033223 k( 211) = ( 0.3400000 0.5658033 0.2298886), wk = 0.0033223 k( 212) = ( 0.3333333 0.5773503 0.2298886), wk = 0.0033223 k( 213) = ( 0.3333333 0.5773503 0.2298886), wk = 0.0033223 k( 214) = ( 0.3266667 0.5658033 0.2298886), wk = 0.0033223 k( 215) = ( 0.3200000 0.5542563 0.2298886), wk = 0.0033223 k( 216) = ( 0.3133333 0.5427092 0.2298886), wk = 0.0033223 k( 217) = ( 0.3066667 0.5311623 0.2298886), wk = 0.0033223 k( 218) = ( 0.3000000 0.5196152 0.2298886), wk = 0.0033223 k( 219) = ( 0.2933333 0.5080682 0.2298886), wk = 0.0033223 k( 220) = ( 0.2866667 0.4965212 0.2298886), wk = 0.0033223 k( 221) = ( 0.2800000 0.4849742 0.2298886), wk = 0.0033223 k( 222) = ( 0.2733333 0.4734272 0.2298886), wk = 0.0033223 k( 223) = ( 0.2666667 0.4618802 0.2298886), wk = 0.0033223 k( 224) = ( 0.2600000 0.4503332 0.2298886), wk = 0.0033223 k( 225) = ( 0.2533333 0.4387862 0.2298886), wk = 0.0033223 k( 226) = ( 0.2466667 0.4272392 0.2298886), wk = 0.0033223 k( 227) = ( 0.2400000 0.4156922 0.2298886), wk = 0.0033223 k( 228) = ( 0.2333333 0.4041452 0.2298886), wk = 0.0033223 k( 229) = ( 0.2266667 0.3925982 0.2298886), wk = 0.0033223 k( 230) = ( 0.2200000 0.3810512 0.2298886), wk = 0.0033223 k( 231) = ( 0.2133333 0.3695042 0.2298886), wk = 0.0033223 k( 232) = ( 0.2066667 0.3579572 0.2298886), wk = 0.0033223 k( 233) = ( 0.2000000 0.3464102 0.2298886), wk = 0.0033223 k( 234) = ( 0.1933333 0.3348632 0.2298886), wk = 0.0033223 k( 235) = ( 0.1866667 0.3233162 0.2298886), wk = 0.0033223 k( 236) = ( 0.1800000 0.3117691 0.2298886), wk = 0.0033223 k( 237) = ( 0.1733333 0.3002221 0.2298886), wk = 0.0033223 k( 238) = ( 0.1666667 0.2886751 0.2298886), wk = 0.0033223 k( 239) = ( 0.1600000 0.2771281 0.2298886), wk = 0.0033223 k( 240) = ( 0.1533333 0.2655811 0.2298886), wk = 0.0033223 k( 241) = ( 0.1466667 0.2540341 0.2298886), wk = 0.0033223 k( 242) = ( 0.1400000 0.2424871 0.2298886), wk = 0.0033223 k( 243) = ( 0.1333333 0.2309401 0.2298886), wk = 0.0033223 k( 244) = ( 0.1266667 0.2193931 0.2298886), wk = 0.0033223 k( 245) = ( 0.1200000 0.2078461 0.2298886), wk = 0.0033223 k( 246) = ( 0.1133333 0.1962991 0.2298886), wk = 0.0033223 k( 247) = ( 0.1066667 0.1847521 0.2298886), wk = 0.0033223 k( 248) = ( 0.1000000 0.1732051 0.2298886), wk = 0.0033223 k( 249) = ( 0.0933333 0.1616581 0.2298886), wk = 0.0033223 k( 250) = ( 0.0866667 0.1501111 0.2298886), wk = 0.0033223 k( 251) = ( 0.0800000 0.1385641 0.2298886), wk = 0.0033223 k( 252) = ( 0.0733333 0.1270171 0.2298886), wk = 0.0033223 k( 253) = ( 0.0666667 0.1154701 0.2298886), wk = 0.0033223 k( 254) = ( 0.0600000 0.1039230 0.2298886), wk = 0.0033223 k( 255) = ( 0.0533333 0.0923760 0.2298886), wk = 0.0033223 k( 256) = ( 0.0466667 0.0808290 0.2298886), wk = 0.0033223 k( 257) = ( 0.0400000 0.0692820 0.2298886), wk = 0.0033223 k( 258) = ( 0.0333333 0.0577350 0.2298886), wk = 0.0033223 k( 259) = ( 0.0266667 0.0461880 0.2298886), wk = 0.0033223 k( 260) = ( 0.0200000 0.0346410 0.2298886), wk = 0.0033223 k( 261) = ( 0.0133333 0.0230940 0.2298886), wk = 0.0033223 k( 262) = ( 0.0066667 0.0115470 0.2298886), wk = 0.0033223 k( 263) = ( 0.0000000 0.0000000 0.2298886), wk = 0.0033223 k( 264) = ( 0.5000000 0.2886751 0.2298886), wk = 0.0033223 k( 265) = ( 0.5000000 0.2886751 0.2171170), wk = 0.0033223 k( 266) = ( 0.5000000 0.2886751 0.2043454), wk = 0.0033223 k( 267) = ( 0.5000000 0.2886751 0.1915738), wk = 0.0033223 k( 268) = ( 0.5000000 0.2886751 0.1788022), wk = 0.0033223 k( 269) = ( 0.5000000 0.2886751 0.1660306), wk = 0.0033223 k( 270) = ( 0.5000000 0.2886751 0.1532591), wk = 0.0033223 k( 271) = ( 0.5000000 0.2886751 0.1404875), wk = 0.0033223 k( 272) = ( 0.5000000 0.2886751 0.1277159), wk = 0.0033223 k( 273) = ( 0.5000000 0.2886751 0.1149443), wk = 0.0033223 k( 274) = ( 0.5000000 0.2886751 0.1021727), wk = 0.0033223 k( 275) = ( 0.5000000 0.2886751 0.0894011), wk = 0.0033223 k( 276) = ( 0.5000000 0.2886751 0.0766295), wk = 0.0033223 k( 277) = ( 0.5000000 0.2886751 0.0638579), wk = 0.0033223 k( 278) = ( 0.5000000 0.2886751 0.0510864), wk = 0.0033223 k( 279) = ( 0.5000000 0.2886751 0.0383148), wk = 0.0033223 k( 280) = ( 0.5000000 0.2886751 0.0255432), wk = 0.0033223 k( 281) = ( 0.5000000 0.2886751 0.0127716), wk = 0.0033223 k( 282) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 283) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 284) = ( 0.3333333 0.5773503 0.0127716), wk = 0.0033223 k( 285) = ( 0.3333333 0.5773503 0.0255432), wk = 0.0033223 k( 286) = ( 0.3333333 0.5773503 0.0383148), wk = 0.0033223 k( 287) = ( 0.3333333 0.5773503 0.0510864), wk = 0.0033223 k( 288) = ( 0.3333333 0.5773503 0.0638579), wk = 0.0033223 k( 289) = ( 0.3333333 0.5773503 0.0766295), wk = 0.0033223 k( 290) = ( 0.3333333 0.5773503 0.0894011), wk = 0.0033223 k( 291) = ( 0.3333333 0.5773503 0.1021727), wk = 0.0033223 k( 292) = ( 0.3333333 0.5773503 0.1149443), wk = 0.0033223 k( 293) = ( 0.3333333 0.5773503 0.1277159), wk = 0.0033223 k( 294) = ( 0.3333333 0.5773503 0.1404875), wk = 0.0033223 k( 295) = ( 0.3333333 0.5773503 0.1532591), wk = 0.0033223 k( 296) = ( 0.3333333 0.5773503 0.1660306), wk = 0.0033223 k( 297) = ( 0.3333333 0.5773503 0.1788022), wk = 0.0033223 k( 298) = ( 0.3333333 0.5773503 0.1915738), wk = 0.0033223 k( 299) = ( 0.3333333 0.5773503 0.2043454), wk = 0.0033223 k( 300) = ( 0.3333333 0.5773503 0.2171170), wk = 0.0033223 k( 301) = ( 0.3333333 0.5773503 0.2298886), wk = 0.0033223 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0033223 k( 3) = ( 0.0227273 -0.0000000 0.0000000), wk = 0.0033223 k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0033223 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0033223 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0033223 k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0033223 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0033223 k( 9) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0033223 k( 10) = ( 0.1022727 0.0000000 -0.0000000), wk = 0.0033223 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0033223 k( 12) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0033223 k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0033223 k( 14) = ( 0.1477273 -0.0000000 0.0000000), wk = 0.0033223 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0033223 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0033223 k( 17) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0033223 k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0033223 k( 19) = ( 0.2045454 0.0000000 -0.0000000), wk = 0.0033223 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0033223 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0033223 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0033223 k( 23) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0033223 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0033223 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0033223 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0033223 k( 27) = ( 0.2954545 -0.0000000 0.0000000), wk = 0.0033223 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0033223 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0033223 k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0033223 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0033223 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0033223 k( 33) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0033223 k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0033223 k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0033223 k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0033223 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0033223 k( 38) = ( 0.4204545 0.0000000 -0.0000000), wk = 0.0033223 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0033223 k( 40) = ( 0.4431818 0.0000000 -0.0000000), wk = 0.0033223 k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0033223 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0033223 k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0033223 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0033223 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 47) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0033223 k( 48) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0033223 k( 49) = ( 0.4800000 0.0400000 -0.0000000), wk = 0.0033223 k( 50) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0033223 k( 51) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0033223 k( 52) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0033223 k( 53) = ( 0.4533333 0.0933333 -0.0000000), wk = 0.0033223 k( 54) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0033223 k( 55) = ( 0.4400000 0.1200000 -0.0000000), wk = 0.0033223 k( 56) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0033223 k( 57) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0033223 k( 58) = ( 0.4200000 0.1600000 -0.0000000), wk = 0.0033223 k( 59) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0033223 k( 60) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0033223 k( 61) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0033223 k( 62) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0033223 k( 63) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0033223 k( 64) = ( 0.3800000 0.2400000 -0.0000000), wk = 0.0033223 k( 65) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0033223 k( 66) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0033223 k( 67) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0033223 k( 68) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0033223 k( 69) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0033223 k( 70) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0033223 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 72) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 73) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0033223 k( 74) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0033223 k( 75) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0033223 k( 76) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0033223 k( 77) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0033223 k( 78) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0033223 k( 79) = ( 0.2866667 0.2866667 0.0000000), wk = 0.0033223 k( 80) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0033223 k( 81) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0033223 k( 82) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0033223 k( 83) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0033223 k( 84) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0033223 k( 85) = ( 0.2466667 0.2466667 -0.0000000), wk = 0.0033223 k( 86) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0033223 k( 87) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0033223 k( 88) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0033223 k( 89) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0033223 k( 90) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0033223 k( 91) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0033223 k( 92) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0033223 k( 93) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0033223 k( 94) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0033223 k( 95) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0033223 k( 96) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0033223 k( 97) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033223 k( 98) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0033223 k( 99) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0033223 k( 100) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0033223 k( 101) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0033223 k( 102) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0033223 k( 103) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0033223 k( 104) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0033223 k( 105) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0033223 k( 106) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0033223 k( 107) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0033223 k( 108) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0033223 k( 109) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0033223 k( 110) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0033223 k( 111) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0033223 k( 112) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0033223 k( 113) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0033223 k( 114) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0033223 k( 115) = ( 0.0466667 0.0466667 -0.0000000), wk = 0.0033223 k( 116) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0033223 k( 117) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0033223 k( 118) = ( 0.0266667 0.0266667 -0.0000000), wk = 0.0033223 k( 119) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0033223 k( 120) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0033223 k( 121) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0033223 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 143) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0033223 k( 144) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0033223 k( 145) = ( 0.0340909 -0.0000000 0.5000000), wk = 0.0033223 k( 146) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0033223 k( 147) = ( 0.0568182 -0.0000000 0.5000000), wk = 0.0033223 k( 148) = ( 0.0681818 -0.0000000 0.5000000), wk = 0.0033223 k( 149) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0033223 k( 150) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0033223 k( 151) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0033223 k( 152) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0033223 k( 153) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0033223 k( 154) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0033223 k( 155) = ( 0.1477273 -0.0000000 0.5000000), wk = 0.0033223 k( 156) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0033223 k( 157) = ( 0.1704546 -0.0000000 0.5000000), wk = 0.0033223 k( 158) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0033223 k( 159) = ( 0.1931818 -0.0000000 0.5000000), wk = 0.0033223 k( 160) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0033223 k( 161) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0033223 k( 162) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0033223 k( 163) = ( 0.2386364 -0.0000000 0.5000000), wk = 0.0033223 k( 164) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0033223 k( 165) = ( 0.2613636 -0.0000000 0.5000000), wk = 0.0033223 k( 166) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0033223 k( 167) = ( 0.2840909 -0.0000000 0.5000000), wk = 0.0033223 k( 168) = ( 0.2954545 -0.0000000 0.5000000), wk = 0.0033223 k( 169) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0033223 k( 170) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0033223 k( 171) = ( 0.3295455 -0.0000000 0.5000000), wk = 0.0033223 k( 172) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0033223 k( 173) = ( 0.3522727 -0.0000000 0.5000000), wk = 0.0033223 k( 174) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0033223 k( 175) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0033223 k( 176) = ( 0.3863636 -0.0000000 0.5000000), wk = 0.0033223 k( 177) = ( 0.3977273 -0.0000000 0.5000000), wk = 0.0033223 k( 178) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0033223 k( 179) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0033223 k( 180) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0033223 k( 181) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0033223 k( 182) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0033223 k( 183) = ( 0.4659091 -0.0000000 0.5000000), wk = 0.0033223 k( 184) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0033223 k( 185) = ( 0.4886364 -0.0000000 0.5000000), wk = 0.0033223 k( 186) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033223 k( 187) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033223 k( 188) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0033223 k( 189) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0033223 k( 190) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0033223 k( 191) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0033223 k( 192) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0033223 k( 193) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0033223 k( 194) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0033223 k( 195) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0033223 k( 196) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0033223 k( 197) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0033223 k( 198) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0033223 k( 199) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0033223 k( 200) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0033223 k( 201) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0033223 k( 202) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0033223 k( 203) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0033223 k( 204) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0033223 k( 205) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0033223 k( 206) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0033223 k( 207) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0033223 k( 208) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0033223 k( 209) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0033223 k( 210) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0033223 k( 211) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0033223 k( 212) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 k( 213) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 k( 214) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0033223 k( 215) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0033223 k( 216) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0033223 k( 217) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0033223 k( 218) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0033223 k( 219) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0033223 k( 220) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0033223 k( 221) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0033223 k( 222) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0033223 k( 223) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0033223 k( 224) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0033223 k( 225) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0033223 k( 226) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0033223 k( 227) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0033223 k( 228) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0033223 k( 229) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0033223 k( 230) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0033223 k( 231) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0033223 k( 232) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0033223 k( 233) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0033223 k( 234) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0033223 k( 235) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0033223 k( 236) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0033223 k( 237) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0033223 k( 238) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033223 k( 239) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0033223 k( 240) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0033223 k( 241) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0033223 k( 242) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0033223 k( 243) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0033223 k( 244) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0033223 k( 245) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0033223 k( 246) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0033223 k( 247) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0033223 k( 248) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0033223 k( 249) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0033223 k( 250) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0033223 k( 251) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0033223 k( 252) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0033223 k( 253) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0033223 k( 254) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0033223 k( 255) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0033223 k( 256) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0033223 k( 257) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0033223 k( 258) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0033223 k( 259) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0033223 k( 260) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0033223 k( 261) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0033223 k( 262) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0033223 k( 263) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 264) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033223 k( 265) = ( 0.5000000 -0.0000000 0.4722222), wk = 0.0033223 k( 266) = ( 0.5000000 -0.0000000 0.4444444), wk = 0.0033223 k( 267) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0033223 k( 268) = ( 0.5000000 -0.0000000 0.3888889), wk = 0.0033223 k( 269) = ( 0.5000000 -0.0000000 0.3611111), wk = 0.0033223 k( 270) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0033223 k( 271) = ( 0.5000000 -0.0000000 0.3055556), wk = 0.0033223 k( 272) = ( 0.5000000 -0.0000000 0.2777778), wk = 0.0033223 k( 273) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0033223 k( 274) = ( 0.5000000 -0.0000000 0.2222222), wk = 0.0033223 k( 275) = ( 0.5000000 -0.0000000 0.1944444), wk = 0.0033223 k( 276) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0033223 k( 277) = ( 0.5000000 -0.0000000 0.1388889), wk = 0.0033223 k( 278) = ( 0.5000000 -0.0000000 0.1111111), wk = 0.0033223 k( 279) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0033223 k( 280) = ( 0.5000000 -0.0000000 0.0555556), wk = 0.0033223 k( 281) = ( 0.5000000 -0.0000000 0.0277778), wk = 0.0033223 k( 282) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 283) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 284) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0033223 k( 285) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0033223 k( 286) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0033223 k( 287) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0033223 k( 288) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0033223 k( 289) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033223 k( 290) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0033223 k( 291) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0033223 k( 292) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033223 k( 293) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0033223 k( 294) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0033223 k( 295) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033223 k( 296) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0033223 k( 297) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0033223 k( 298) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0033223 k( 299) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0033223 k( 300) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0033223 k( 301) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 Dense grid: 57763 G-vectors FFT dimensions: ( 40, 40, 90) Smooth grid: 34667 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 250, 60) NL pseudopotentials 0.33 Mb ( 125, 172) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1602) G-vector shells 0.01 Mb ( 796) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.92 Mb ( 250, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.31 Mb ( 172, 2, 60) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Ba2Ni3.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 6.9 secs Computing kpt #: 7 total cpu time spent up to now is 7.6 secs Computing kpt #: 8 total cpu time spent up to now is 8.3 secs Computing kpt #: 9 total cpu time spent up to now is 9.0 secs Computing kpt #: 10 total cpu time spent up to now is 9.7 secs Computing kpt #: 11 total cpu time spent up to now is 11.1 secs Computing kpt #: 12 total cpu time spent up to now is 11.8 secs Computing kpt #: 13 total cpu time spent up to now is 12.5 secs Computing kpt #: 14 total cpu time spent up to now is 13.1 secs Computing kpt #: 15 total cpu time spent up to now is 13.8 secs Computing kpt #: 16 total cpu time spent up to now is 14.4 secs Computing kpt #: 17 total cpu time spent up to now is 15.1 secs Computing kpt #: 18 total cpu time spent up to now is 15.7 secs Computing kpt #: 19 total cpu time spent up to now is 16.5 secs Computing kpt #: 20 total cpu time spent up to now is 17.4 secs Computing kpt #: 21 total cpu time spent up to now is 18.1 secs Computing kpt #: 22 total cpu time spent up to now is 18.8 secs Computing kpt #: 23 total cpu time spent up to now is 19.4 secs Computing kpt #: 24 total cpu time spent up to now is 20.0 secs Computing kpt #: 25 total cpu time spent up to now is 20.7 secs Computing kpt #: 26 total cpu time spent up to now is 21.3 secs Computing kpt #: 27 total cpu time spent up to now is 22.0 secs Computing kpt #: 28 total cpu time spent up to now is 22.6 secs Computing kpt #: 29 total cpu time spent up to now is 23.3 secs Computing kpt #: 30 total cpu time spent up to now is 24.0 secs Computing kpt #: 31 total cpu time spent up to now is 24.5 secs Computing kpt #: 32 total cpu time spent up to now is 25.1 secs Computing kpt #: 33 total cpu time spent up to now is 25.7 secs Computing kpt #: 34 total cpu time spent up to now is 26.2 secs Computing kpt #: 35 total cpu time spent up to now is 26.8 secs Computing kpt #: 36 total cpu time spent up to now is 27.3 secs Computing kpt #: 37 total cpu time spent up to now is 27.9 secs Computing kpt #: 38 total cpu time spent up to now is 28.5 secs Computing kpt #: 39 total cpu time spent up to now is 29.0 secs Computing kpt #: 40 total cpu time spent up to now is 29.6 secs Computing kpt #: 41 total cpu time spent up to now is 30.1 secs Computing kpt #: 42 total cpu time spent up to now is 30.7 secs Computing kpt #: 43 total cpu time spent up to now is 31.2 secs Computing kpt #: 44 total cpu time spent up to now is 31.8 secs Computing kpt #: 45 total cpu time spent up to now is 32.3 secs Computing kpt #: 46 total cpu time spent up to now is 32.8 secs Computing kpt #: 47 total cpu time spent up to now is 33.3 secs Computing kpt #: 48 total cpu time spent up to now is 33.9 secs Computing kpt #: 49 total cpu time spent up to now is 34.4 secs Computing kpt #: 50 total cpu time spent up to now is 35.0 secs Computing kpt #: 51 total cpu time spent up to now is 35.5 secs Computing kpt #: 52 total cpu time spent up to now is 36.1 secs Computing kpt #: 53 total cpu time spent up to now is 36.8 secs Computing kpt #: 54 total cpu time spent up to now is 37.4 secs Computing kpt #: 55 total cpu time spent up to now is 38.1 secs Computing kpt #: 56 total cpu time spent up to now is 38.7 secs Computing kpt #: 57 total cpu time spent up to now is 39.3 secs Computing kpt #: 58 total cpu time spent up to now is 40.0 secs Computing kpt #: 59 total cpu time spent up to now is 40.7 secs Computing kpt #: 60 total cpu time spent up to now is 41.3 secs Computing kpt #: 61 total cpu time spent up to now is 42.0 secs Computing kpt #: 62 total cpu time spent up to now is 42.6 secs Computing kpt #: 63 total cpu time spent up to now is 43.2 secs Computing kpt #: 64 total cpu time spent up to now is 43.8 secs Computing kpt #: 65 total cpu time spent up to now is 44.5 secs Computing kpt #: 66 total cpu time spent up to now is 45.1 secs Computing kpt #: 67 total cpu time spent up to now is 45.7 secs Computing kpt #: 68 total cpu time spent up to now is 46.4 secs Computing kpt #: 69 total cpu time spent up to now is 47.0 secs Computing kpt #: 70 total cpu time spent up to now is 47.7 secs Computing kpt #: 71 total cpu time spent up to now is 48.3 secs Computing kpt #: 72 total cpu time spent up to now is 48.9 secs Computing kpt #: 73 total cpu time spent up to now is 49.6 secs Computing kpt #: 74 total cpu time spent up to now is 50.2 secs Computing kpt #: 75 total cpu time spent up to now is 50.9 secs Computing kpt #: 76 total cpu time spent up to now is 51.6 secs Computing kpt #: 77 total cpu time spent up to now is 52.3 secs Computing kpt #: 78 total cpu time spent up to now is 53.0 secs Computing kpt #: 79 total cpu time spent up to now is 53.6 secs Computing kpt #: 80 total cpu time spent up to now is 54.3 secs Computing kpt #: 81 total cpu time spent up to now is 54.9 secs Computing kpt #: 82 total cpu time spent up to now is 55.6 secs Computing kpt #: 83 total cpu time spent up to now is 56.3 secs Computing kpt #: 84 total cpu time spent up to now is 56.9 secs Computing kpt #: 85 total cpu time spent up to now is 57.6 secs Computing kpt #: 86 total cpu time spent up to now is 58.2 secs Computing kpt #: 87 total cpu time spent up to now is 58.8 secs Computing kpt #: 88 total cpu time spent up to now is 59.4 secs Computing kpt #: 89 total cpu time spent up to now is 60.1 secs Computing kpt #: 90 total cpu time spent up to now is 60.7 secs Computing kpt #: 91 total cpu time spent up to now is 61.4 secs Computing kpt #: 92 total cpu time spent up to now is 62.1 secs Computing kpt #: 93 total cpu time spent up to now is 62.7 secs Computing kpt #: 94 total cpu time spent up to now is 63.4 secs Computing kpt #: 95 total cpu time spent up to now is 64.1 secs Computing kpt #: 96 total cpu time spent up to now is 64.8 secs Computing kpt #: 97 total cpu time spent up to now is 65.4 secs Computing kpt #: 98 total cpu time spent up to now is 66.0 secs Computing kpt #: 99 total cpu time spent up to now is 66.7 secs Computing kpt #: 100 total cpu time spent up to now is 67.3 secs Computing kpt #: 101 total cpu time spent up to now is 67.9 secs Computing kpt #: 102 total cpu time spent up to now is 68.5 secs Computing kpt #: 103 total cpu time spent up to now is 69.2 secs Computing kpt #: 104 total cpu time spent up to now is 69.8 secs Computing kpt #: 105 total cpu time spent up to now is 70.5 secs Computing kpt #: 106 total cpu time spent up to now is 71.2 secs Computing kpt #: 107 total cpu time spent up to now is 71.8 secs Computing kpt #: 108 total cpu time spent up to now is 72.5 secs Computing kpt #: 109 total cpu time spent up to now is 73.1 secs Computing kpt #: 110 total cpu time spent up to now is 73.8 secs Computing kpt #: 111 total cpu time spent up to now is 74.5 secs Computing kpt #: 112 total cpu time spent up to now is 75.1 secs Computing kpt #: 113 total cpu time spent up to now is 75.8 secs Computing kpt #: 114 total cpu time spent up to now is 76.5 secs Computing kpt #: 115 total cpu time spent up to now is 77.3 secs Computing kpt #: 116 total cpu time spent up to now is 78.0 secs Computing kpt #: 117 total cpu time spent up to now is 78.7 secs Computing kpt #: 118 total cpu time spent up to now is 79.6 secs Computing kpt #: 119 total cpu time spent up to now is 80.3 secs Computing kpt #: 120 total cpu time spent up to now is 81.2 secs Computing kpt #: 121 total cpu time spent up to now is 82.0 secs Computing kpt #: 122 total cpu time spent up to now is 82.8 secs Computing kpt #: 123 total cpu time spent up to now is 83.7 secs Computing kpt #: 124 total cpu time spent up to now is 84.5 secs Computing kpt #: 125 total cpu time spent up to now is 85.4 secs Computing kpt #: 126 total cpu time spent up to now is 86.2 secs Computing kpt #: 127 total cpu time spent up to now is 87.0 secs Computing kpt #: 128 total cpu time spent up to now is 87.9 secs Computing kpt #: 129 total cpu time spent up to now is 88.8 secs Computing kpt #: 130 total cpu time spent up to now is 89.6 secs Computing kpt #: 131 total cpu time spent up to now is 90.5 secs Computing kpt #: 132 total cpu time spent up to now is 91.3 secs Computing kpt #: 133 total cpu time spent up to now is 92.2 secs Computing kpt #: 134 total cpu time spent up to now is 93.1 secs Computing kpt #: 135 total cpu time spent up to now is 94.0 secs Computing kpt #: 136 total cpu time spent up to now is 95.0 secs Computing kpt #: 137 total cpu time spent up to now is 95.9 secs Computing kpt #: 138 total cpu time spent up to now is 96.8 secs Computing kpt #: 139 total cpu time spent up to now is 97.7 secs Computing kpt #: 140 total cpu time spent up to now is 98.6 secs Computing kpt #: 141 total cpu time spent up to now is 99.5 secs Computing kpt #: 142 total cpu time spent up to now is 100.4 secs Computing kpt #: 143 total cpu time spent up to now is 101.2 secs Computing kpt #: 144 total cpu time spent up to now is 101.9 secs Computing kpt #: 145 total cpu time spent up to now is 102.6 secs Computing kpt #: 146 total cpu time spent up to now is 103.3 secs Computing kpt #: 147 total cpu time spent up to now is 104.0 secs Computing kpt #: 148 total cpu time spent up to now is 104.7 secs Computing kpt #: 149 total cpu time spent up to now is 105.5 secs Computing kpt #: 150 total cpu time spent up to now is 106.2 secs Computing kpt #: 151 total cpu time spent up to now is 106.9 secs Computing kpt #: 152 total cpu time spent up to now is 107.5 secs Computing kpt #: 153 total cpu time spent up to now is 108.2 secs Computing kpt #: 154 total cpu time spent up to now is 108.8 secs Computing kpt #: 155 total cpu time spent up to now is 109.5 secs Computing kpt #: 156 total cpu time spent up to now is 110.1 secs Computing kpt #: 157 total cpu time spent up to now is 110.8 secs Computing kpt #: 158 total cpu time spent up to now is 111.4 secs Computing kpt #: 159 total cpu time spent up to now is 112.1 secs Computing kpt #: 160 total cpu time spent up to now is 112.7 secs Computing kpt #: 161 total cpu time spent up to now is 113.4 secs Computing kpt #: 162 total cpu time spent up to now is 114.1 secs Computing kpt #: 163 total cpu time spent up to now is 114.9 secs Computing kpt #: 164 total cpu time spent up to now is 115.8 secs Computing kpt #: 165 total cpu time spent up to now is 116.7 secs Computing kpt #: 166 total cpu time spent up to now is 117.8 secs Computing kpt #: 167 total cpu time spent up to now is 118.7 secs Computing kpt #: 168 total cpu time spent up to now is 119.4 secs Computing kpt #: 169 total cpu time spent up to now is 120.1 secs Computing kpt #: 170 total cpu time spent up to now is 120.8 secs Computing kpt #: 171 total cpu time spent up to now is 121.5 secs Computing kpt #: 172 total cpu time spent up to now is 122.1 secs Computing kpt #: 173 total cpu time spent up to now is 122.8 secs Computing kpt #: 174 total cpu time spent up to now is 123.5 secs Computing kpt #: 175 total cpu time spent up to now is 124.1 secs Computing kpt #: 176 total cpu time spent up to now is 124.8 secs Computing kpt #: 177 total cpu time spent up to now is 125.4 secs Computing kpt #: 178 total cpu time spent up to now is 126.1 secs Computing kpt #: 179 total cpu time spent up to now is 126.7 secs Computing kpt #: 180 total cpu time spent up to now is 127.3 secs Computing kpt #: 181 total cpu time spent up to now is 128.0 secs Computing kpt #: 182 total cpu time spent up to now is 128.6 secs Computing kpt #: 183 total cpu time spent up to now is 129.1 secs Computing kpt #: 184 total cpu time spent up to now is 129.7 secs Computing kpt #: 185 total cpu time spent up to now is 130.3 secs Computing kpt #: 186 total cpu time spent up to now is 130.9 secs Computing kpt #: 187 total cpu time spent up to now is 131.5 secs Computing kpt #: 188 total cpu time spent up to now is 132.0 secs Computing kpt #: 189 total cpu time spent up to now is 132.7 secs Computing kpt #: 190 total cpu time spent up to now is 133.3 secs Computing kpt #: 191 total cpu time spent up to now is 133.8 secs Computing kpt #: 192 total cpu time spent up to now is 134.4 secs Computing kpt #: 193 total cpu time spent up to now is 135.1 secs Computing kpt #: 194 total cpu time spent up to now is 135.7 secs Computing kpt #: 195 total cpu time spent up to now is 136.4 secs Computing kpt #: 196 total cpu time spent up to now is 137.1 secs Computing kpt #: 197 total cpu time spent up to now is 137.8 secs Computing kpt #: 198 total cpu time spent up to now is 138.6 secs Computing kpt #: 199 total cpu time spent up to now is 139.3 secs Computing kpt #: 200 total cpu time spent up to now is 140.0 secs Computing kpt #: 201 total cpu time spent up to now is 140.6 secs Computing kpt #: 202 total cpu time spent up to now is 141.3 secs Computing kpt #: 203 total cpu time spent up to now is 141.9 secs Computing kpt #: 204 total cpu time spent up to now is 142.6 secs Computing kpt #: 205 total cpu time spent up to now is 143.2 secs Computing kpt #: 206 total cpu time spent up to now is 143.8 secs Computing kpt #: 207 total cpu time spent up to now is 144.5 secs Computing kpt #: 208 total cpu time spent up to now is 145.0 secs Computing kpt #: 209 total cpu time spent up to now is 145.6 secs Computing kpt #: 210 total cpu time spent up to now is 146.2 secs Computing kpt #: 211 total cpu time spent up to now is 146.8 secs Computing kpt #: 212 total cpu time spent up to now is 147.4 secs Computing kpt #: 213 total cpu time spent up to now is 147.9 secs Computing kpt #: 214 total cpu time spent up to now is 148.5 secs Computing kpt #: 215 total cpu time spent up to now is 149.1 secs Computing kpt #: 216 total cpu time spent up to now is 149.6 secs Computing kpt #: 217 total cpu time spent up to now is 150.2 secs Computing kpt #: 218 total cpu time spent up to now is 150.8 secs Computing kpt #: 219 total cpu time spent up to now is 151.3 secs Computing kpt #: 220 total cpu time spent up to now is 151.9 secs Computing kpt #: 221 total cpu time spent up to now is 152.5 secs Computing kpt #: 222 total cpu time spent up to now is 153.1 secs Computing kpt #: 223 total cpu time spent up to now is 153.7 secs Computing kpt #: 224 total cpu time spent up to now is 154.3 secs Computing kpt #: 225 total cpu time spent up to now is 154.9 secs Computing kpt #: 226 total cpu time spent up to now is 155.5 secs Computing kpt #: 227 total cpu time spent up to now is 156.0 secs Computing kpt #: 228 total cpu time spent up to now is 156.6 secs Computing kpt #: 229 total cpu time spent up to now is 157.2 secs Computing kpt #: 230 total cpu time spent up to now is 157.9 secs Computing kpt #: 231 total cpu time spent up to now is 158.5 secs Computing kpt #: 232 total cpu time spent up to now is 159.2 secs Computing kpt #: 233 total cpu time spent up to now is 159.8 secs Computing kpt #: 234 total cpu time spent up to now is 160.5 secs Computing kpt #: 235 total cpu time spent up to now is 161.2 secs Computing kpt #: 236 total cpu time spent up to now is 161.9 secs Computing kpt #: 237 total cpu time spent up to now is 162.7 secs Computing kpt #: 238 total cpu time spent up to now is 163.4 secs Computing kpt #: 239 total cpu time spent up to now is 164.2 secs Computing kpt #: 240 total cpu time spent up to now is 164.9 secs Computing kpt #: 241 total cpu time spent up to now is 165.7 secs Computing kpt #: 242 total cpu time spent up to now is 166.6 secs Computing kpt #: 243 total cpu time spent up to now is 167.3 secs Computing kpt #: 244 total cpu time spent up to now is 168.1 secs Computing kpt #: 245 total cpu time spent up to now is 168.7 secs Computing kpt #: 246 total cpu time spent up to now is 169.4 secs Computing kpt #: 247 total cpu time spent up to now is 170.1 secs Computing kpt #: 248 total cpu time spent up to now is 170.7 secs Computing kpt #: 249 total cpu time spent up to now is 171.4 secs Computing kpt #: 250 total cpu time spent up to now is 172.1 secs Computing kpt #: 251 total cpu time spent up to now is 172.7 secs Computing kpt #: 252 total cpu time spent up to now is 173.4 secs Computing kpt #: 253 total cpu time spent up to now is 174.1 secs Computing kpt #: 254 total cpu time spent up to now is 174.8 secs Computing kpt #: 255 total cpu time spent up to now is 175.5 secs Computing kpt #: 256 total cpu time spent up to now is 176.2 secs Computing kpt #: 257 total cpu time spent up to now is 176.9 secs Computing kpt #: 258 total cpu time spent up to now is 177.6 secs Computing kpt #: 259 total cpu time spent up to now is 178.3 secs Computing kpt #: 260 total cpu time spent up to now is 179.2 secs Computing kpt #: 261 total cpu time spent up to now is 180.0 secs Computing kpt #: 262 total cpu time spent up to now is 181.4 secs Computing kpt #: 263 total cpu time spent up to now is 182.3 secs Computing kpt #: 264 total cpu time spent up to now is 182.9 secs Computing kpt #: 265 total cpu time spent up to now is 183.5 secs Computing kpt #: 266 total cpu time spent up to now is 184.1 secs Computing kpt #: 267 total cpu time spent up to now is 184.7 secs Computing kpt #: 268 total cpu time spent up to now is 185.3 secs Computing kpt #: 269 total cpu time spent up to now is 185.9 secs Computing kpt #: 270 total cpu time spent up to now is 186.4 secs Computing kpt #: 271 total cpu time spent up to now is 187.0 secs Computing kpt #: 272 total cpu time spent up to now is 187.5 secs Computing kpt #: 273 total cpu time spent up to now is 188.0 secs Computing kpt #: 274 total cpu time spent up to now is 188.6 secs Computing kpt #: 275 total cpu time spent up to now is 189.1 secs Computing kpt #: 276 total cpu time spent up to now is 189.7 secs Computing kpt #: 277 total cpu time spent up to now is 190.2 secs Computing kpt #: 278 total cpu time spent up to now is 190.7 secs Computing kpt #: 279 total cpu time spent up to now is 191.3 secs Computing kpt #: 280 total cpu time spent up to now is 191.8 secs Computing kpt #: 281 total cpu time spent up to now is 192.4 secs Computing kpt #: 282 total cpu time spent up to now is 192.9 secs Computing kpt #: 283 total cpu time spent up to now is 193.5 secs Computing kpt #: 284 total cpu time spent up to now is 194.2 secs Computing kpt #: 285 total cpu time spent up to now is 194.8 secs Computing kpt #: 286 total cpu time spent up to now is 195.4 secs Computing kpt #: 287 total cpu time spent up to now is 196.0 secs Computing kpt #: 288 total cpu time spent up to now is 196.6 secs Computing kpt #: 289 total cpu time spent up to now is 197.2 secs Computing kpt #: 290 total cpu time spent up to now is 197.8 secs Computing kpt #: 291 total cpu time spent up to now is 198.4 secs Computing kpt #: 292 total cpu time spent up to now is 199.0 secs Computing kpt #: 293 total cpu time spent up to now is 199.5 secs Computing kpt #: 294 total cpu time spent up to now is 200.2 secs Computing kpt #: 295 total cpu time spent up to now is 200.8 secs Computing kpt #: 296 total cpu time spent up to now is 201.4 secs Computing kpt #: 297 total cpu time spent up to now is 202.1 secs Computing kpt #: 298 total cpu time spent up to now is 202.7 secs Computing kpt #: 299 total cpu time spent up to now is 203.3 secs Computing kpt #: 300 total cpu time spent up to now is 203.9 secs Computing kpt #: 301 total cpu time spent up to now is 204.5 secs ethr = 2.00E-08, avg # of iterations = 24.7 total cpu time spent up to now is 204.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4349 PWs) bands (ev): -19.7757 -19.7757 -19.7624 -19.7624 -6.3875 -6.3875 -6.2982 -6.2982 -4.5331 -4.5331 -4.3460 -4.3460 -4.1345 -4.1345 -4.1217 -4.1217 2.4600 2.4600 6.0118 6.0118 6.2787 6.2787 6.3093 6.3093 6.3477 6.3477 6.3968 6.3968 6.5346 6.5346 6.6485 6.6485 6.6837 6.6837 6.7892 6.7892 6.8363 6.8363 6.9250 6.9250 7.0897 7.0897 7.5571 7.5571 7.8232 7.8232 7.8603 7.8603 8.2371 8.2371 8.3266 8.3266 9.5050 9.5050 10.2001 10.2001 10.7545 10.7545 10.8642 10.8642 k = 0.0114 0.0066-0.0000 ( 4351 PWs) bands (ev): -19.7756 -19.7756 -19.7623 -19.7623 -6.3876 -6.3876 -6.2984 -6.2984 -4.5332 -4.5332 -4.3462 -4.3462 -4.1351 -4.1351 -4.1223 -4.1223 2.4616 2.4616 6.0131 6.0131 6.2713 6.2713 6.2943 6.2943 6.3615 6.3615 6.4036 6.4036 6.5362 6.5362 6.6454 6.6454 6.6758 6.6758 6.7976 6.7976 6.8396 6.8396 6.9261 6.9261 7.0898 7.0898 7.5572 7.5572 7.8222 7.8222 7.8606 7.8606 8.2373 8.2373 8.3266 8.3266 9.5059 9.5059 10.2003 10.2003 10.7534 10.7534 10.8632 10.8632 k = 0.0227 0.0131-0.0000 ( 4359 PWs) bands (ev): -19.7754 -19.7754 -19.7621 -19.7621 -6.3880 -6.3880 -6.2991 -6.2991 -4.5335 -4.5335 -4.3468 -4.3468 -4.1369 -4.1369 -4.1242 -4.1242 2.4664 2.4664 6.0169 6.0169 6.2526 6.2526 6.2684 6.2684 6.3839 6.3839 6.4204 6.4204 6.5410 6.5410 6.6371 6.6371 6.6569 6.6569 6.8178 6.8178 6.8485 6.8485 6.9297 6.9297 7.0902 7.0902 7.5576 7.5576 7.8192 7.8192 7.8614 7.8614 8.2380 8.2380 8.3265 8.3265 9.5086 9.5086 10.2009 10.2009 10.7491 10.7491 10.8612 10.8612 k = 0.0341 0.0197-0.0000 ( 4347 PWs) bands (ev): -19.7750 -19.7750 -19.7617 -19.7617 -6.3887 -6.3887 -6.3003 -6.3003 -4.5340 -4.5340 -4.3478 -4.3478 -4.1398 -4.1398 -4.1273 -4.1273 2.4745 2.4745 6.0232 6.0232 6.2266 6.2266 6.2420 6.2420 6.4050 6.4050 6.4423 6.4423 6.5489 6.5489 6.6259 6.6259 6.6344 6.6344 6.8435 6.8435 6.8602 6.8602 6.9367 6.9367 7.0910 7.0910 7.5583 7.5583 7.8142 7.8142 7.8627 7.8627 8.2391 8.2391 8.3267 8.3267 9.5131 9.5131 10.2019 10.2019 10.7390 10.7390 10.8612 10.8612 k = 0.0455 0.0262-0.0000 ( 4343 PWs) bands (ev): -19.7744 -19.7744 -19.7612 -19.7612 -6.3897 -6.3897 -6.3019 -6.3019 -4.5347 -4.5347 -4.3491 -4.3491 -4.1439 -4.1439 -4.1316 -4.1316 2.4857 2.4857 6.0317 6.0317 6.1955 6.1955 6.2171 6.2171 6.4218 6.4218 6.4656 6.4656 6.5594 6.5594 6.6076 6.6076 6.6192 6.6192 6.8705 6.8705 6.8727 6.8727 6.9482 6.9482 7.0924 7.0924 7.5591 7.5591 7.8072 7.8072 7.8645 7.8645 8.2408 8.2408 8.3271 8.3271 9.5193 9.5193 10.2030 10.2030 10.7204 10.7204 10.8662 10.8662 k = 0.0568 0.0328-0.0000 ( 4337 PWs) bands (ev): -19.7737 -19.7737 -19.7606 -19.7606 -6.3909 -6.3909 -6.3039 -6.3039 -4.5356 -4.5356 -4.3509 -4.3509 -4.1491 -4.1491 -4.1370 -4.1370 2.5001 2.5001 6.0423 6.0423 6.1617 6.1617 6.1936 6.1936 6.4329 6.4329 6.4861 6.4861 6.5703 6.5703 6.5867 6.5867 6.6151 6.6151 6.8806 6.8806 6.9007 6.9007 6.9647 6.9647 7.0945 7.0945 7.5600 7.5600 7.7981 7.7981 7.8668 7.8668 8.2431 8.2431 8.3283 8.3283 9.5273 9.5273 10.2039 10.2039 10.6929 10.6929 10.8770 10.8770 k = 0.0682 0.0394-0.0000 ( 4337 PWs) bands (ev): -19.7728 -19.7728 -19.7598 -19.7598 -6.3924 -6.3924 -6.3064 -6.3064 -4.5368 -4.5368 -4.3531 -4.3531 -4.1554 -4.1554 -4.1435 -4.1435 2.5177 2.5177 6.0541 6.0541 6.1268 6.1268 6.1709 6.1709 6.4371 6.4371 6.4981 6.4981 6.5621 6.5621 6.5914 6.5914 6.6209 6.6209 6.8870 6.8870 6.9302 6.9302 6.9859 6.9859 7.0976 7.0976 7.5609 7.5609 7.7869 7.7869 7.8698 7.8698 8.2458 8.2458 8.3304 8.3304 9.5371 9.5371 10.2045 10.2045 10.6574 10.6574 10.8826 10.8826 k = 0.0795 0.0459-0.0000 ( 4341 PWs) bands (ev): -19.7718 -19.7718 -19.7589 -19.7589 -6.3942 -6.3942 -6.3094 -6.3094 -4.5381 -4.5381 -4.3557 -4.3557 -4.1626 -4.1626 -4.1509 -4.1509 2.5384 2.5384 6.0616 6.0616 6.0965 6.0965 6.1494 6.1494 6.4338 6.4338 6.4955 6.4955 6.5515 6.5515 6.6116 6.6116 6.6362 6.6362 6.8911 6.8911 6.9595 6.9595 7.0108 7.0108 7.1022 7.1022 7.5616 7.5616 7.7734 7.7734 7.8735 7.8735 8.2487 8.2487 8.3342 8.3342 9.5485 9.5485 10.2043 10.2043 10.6156 10.6156 10.8466 10.8466 k = 0.0909 0.0525-0.0000 ( 4337 PWs) bands (ev): -19.7707 -19.7707 -19.7579 -19.7579 -6.3963 -6.3963 -6.3128 -6.3128 -4.5397 -4.5397 -4.3589 -4.3589 -4.1707 -4.1707 -4.1592 -4.1592 2.5622 2.5622 6.0401 6.0401 6.0957 6.0957 6.1291 6.1291 6.4243 6.4243 6.4805 6.4805 6.5494 6.5494 6.6357 6.6357 6.6589 6.6589 6.8935 6.8935 6.9883 6.9883 7.0384 7.0384 7.1085 7.1085 7.5620 7.5620 7.7578 7.7578 7.8781 7.8781 8.2515 8.2515 8.3405 8.3405 9.5615 9.5615 10.2029 10.2029 10.5691 10.5691 10.8008 10.8008 k = 0.1023 0.0590-0.0000 ( 4330 PWs) bands (ev): -19.7694 -19.7694 -19.7567 -19.7567 -6.3986 -6.3986 -6.3166 -6.3166 -4.5414 -4.5414 -4.3625 -4.3625 -4.1797 -4.1797 -4.1682 -4.1682 2.5890 2.5890 6.0026 6.0026 6.1070 6.1070 6.1139 6.1139 6.4105 6.4105 6.4603 6.4603 6.5510 6.5510 6.6601 6.6601 6.6873 6.6873 6.8951 6.8951 7.0160 7.0160 7.0679 7.0679 7.1173 7.1173 7.5621 7.5621 7.7400 7.7400 7.8838 7.8838 8.2538 8.2538 8.3500 8.3500 9.5760 9.5760 10.1998 10.1998 10.5191 10.5191 10.7517 10.7517 k = 0.1136 0.0656-0.0000 ( 4330 PWs) bands (ev): -19.7680 -19.7680 -19.7554 -19.7554 -6.4012 -6.4012 -6.3208 -6.3208 -4.5434 -4.5434 -4.3667 -4.3667 -4.1895 -4.1895 -4.1778 -4.1778 2.6188 2.6188 5.9622 5.9622 6.0910 6.0910 6.1298 6.1298 6.3942 6.3942 6.4394 6.4394 6.5529 6.5529 6.6840 6.6840 6.7189 6.7189 6.8963 6.8963 7.0422 7.0422 7.0987 7.0987 7.1294 7.1294 7.5615 7.5615 7.7201 7.7201 7.8905 7.8905 8.2550 8.2550 8.3632 8.3632 9.5918 9.5918 10.1945 10.1945 10.4670 10.4670 10.7007 10.7007 k = 0.1250 0.0722-0.0000 ( 4320 PWs) bands (ev): -19.7664 -19.7664 -19.7540 -19.7540 -6.4040 -6.4040 -6.3254 -6.3254 -4.5456 -4.5456 -4.3715 -4.3715 -4.1999 -4.1999 -4.1879 -4.1879 2.6515 2.6515 5.9207 5.9207 6.0740 6.0740 6.1484 6.1484 6.3767 6.3767 6.4195 6.4195 6.5536 6.5536 6.7073 6.7073 6.7508 6.7508 6.8986 6.8986 7.0665 7.0665 7.1292 7.1292 7.1466 7.1466 7.5602 7.5602 7.6985 7.6985 7.8985 7.8985 8.2553 8.2553 8.3808 8.3808 9.6085 9.6085 10.1864 10.1864 10.4139 10.4139 10.6494 10.6494 k = 0.1364 0.0787-0.0000 ( 4326 PWs) bands (ev): -19.7647 -19.7647 -19.7525 -19.7525 -6.4071 -6.4071 -6.3304 -6.3304 -4.5481 -4.5481 -4.3770 -4.3770 -4.2108 -4.2108 -4.1982 -4.1982 2.6871 2.6871 5.8784 5.8784 6.0581 6.0581 6.1662 6.1662 6.3587 6.3587 6.4021 6.4021 6.5521 6.5521 6.7300 6.7300 6.7799 6.7799 6.9041 6.9041 7.0886 7.0886 7.1551 7.1551 7.1731 7.1731 7.5580 7.5580 7.6752 7.6752 7.9078 7.9078 8.2544 8.2544 8.4025 8.4025 9.6259 9.6259 10.1748 10.1748 10.3609 10.3609 10.5988 10.5988 k = 0.1477 0.0853-0.0000 ( 4330 PWs) bands (ev): -19.7630 -19.7630 -19.7509 -19.7509 -6.4105 -6.4105 -6.3358 -6.3358 -4.5508 -4.5508 -4.3832 -4.3832 -4.2223 -4.2223 -4.2086 -4.2086 2.7255 2.7255 5.8357 5.8357 6.0433 6.0433 6.1818 6.1818 6.3404 6.3404 6.3891 6.3891 6.5480 6.5480 6.7513 6.7513 6.8023 6.8023 6.9165 6.9165 7.1092 7.1092 7.1781 7.1781 7.2067 7.2067 7.5548 7.5548 7.6511 7.6511 7.9185 7.9185 8.2525 8.2525 8.4286 8.4286 9.6432 9.6432 10.1589 10.1589 10.3096 10.3096 10.5502 10.5502 k = 0.1591 0.0919-0.0000 ( 4328 PWs) bands (ev): -19.7611 -19.7611 -19.7493 -19.7493 -6.4141 -6.4141 -6.3415 -6.3415 -4.5538 -4.5538 -4.3902 -4.3902 -4.2340 -4.2340 -4.2189 -4.2189 2.7667 2.7667 5.7926 5.7926 6.0298 6.0298 6.1934 6.1934 6.3218 6.3218 6.3824 6.3824 6.5408 6.5408 6.7702 6.7702 6.8159 6.8159 6.9386 6.9386 7.1289 7.1289 7.2018 7.2018 7.2426 7.2426 7.5505 7.5505 7.6266 7.6266 7.9306 7.9306 8.2499 8.2499 8.4586 8.4586 9.6596 9.6596 10.1381 10.1381 10.2616 10.2616 10.5043 10.5043 k = 0.1705 0.0984-0.0000 ( 4332 PWs) bands (ev): -19.7591 -19.7591 -19.7475 -19.7475 -6.4180 -6.4180 -6.3475 -6.3475 -4.5571 -4.5571 -4.3980 -4.3980 -4.2460 -4.2460 -4.2291 -4.2291 2.8106 2.8106 5.7493 5.7493 6.0173 6.0173 6.1994 6.1994 6.3030 6.3030 6.3835 6.3835 6.5304 6.5304 6.7839 6.7839 6.8243 6.8243 6.9690 6.9690 7.1486 7.1486 7.2259 7.2259 7.2799 7.2799 7.5443 7.5443 7.6029 7.6029 7.9440 7.9440 8.2466 8.2466 8.4923 8.4923 9.6740 9.6740 10.1115 10.1115 10.2187 10.2187 10.4622 10.4622 k = 0.1818 0.1050-0.0000 ( 4330 PWs) bands (ev): -19.7571 -19.7571 -19.7457 -19.7457 -6.4221 -6.4221 -6.3539 -6.3539 -4.5606 -4.5606 -4.4067 -4.4067 -4.2580 -4.2580 -4.2389 -4.2389 2.8571 2.8571 5.7061 5.7061 6.0059 6.0059 6.1995 6.1995 6.2844 6.2844 6.3925 6.3925 6.5167 6.5167 6.7885 6.7885 6.8341 6.8341 7.0044 7.0044 7.1690 7.1690 7.2498 7.2498 7.3181 7.3181 7.5357 7.5357 7.5821 7.5821 7.9588 7.9588 8.2427 8.2427 8.5292 8.5292 9.6849 9.6849 10.0792 10.0792 10.1829 10.1829 10.4242 10.4242 k = 0.1932 0.1115-0.0000 ( 4332 PWs) bands (ev): -19.7550 -19.7550 -19.7438 -19.7438 -6.4263 -6.4263 -6.3605 -6.3605 -4.5645 -4.5645 -4.4162 -4.4162 -4.2700 -4.2700 -4.2483 -4.2483 2.9062 2.9062 5.6631 5.6631 5.9955 5.9955 6.1947 6.1947 6.2661 6.2661 6.4076 6.4076 6.4998 6.4998 6.7846 6.7846 6.8466 6.8466 7.0421 7.0421 7.1902 7.1902 7.2722 7.2722 7.3566 7.3566 7.5236 7.5236 7.5664 7.5664 7.9748 7.9748 8.2384 8.2384 8.5688 8.5688 9.6907 9.6907 10.0423 10.0423 10.1545 10.1545 10.3911 10.3911 k = 0.2045 0.1181-0.0000 ( 4338 PWs) bands (ev): -19.7528 -19.7528 -19.7419 -19.7419 -6.4308 -6.4308 -6.3674 -6.3674 -4.5687 -4.5687 -4.4265 -4.4265 -4.2817 -4.2817 -4.2571 -4.2571 2.9578 2.9578 5.6204 5.6204 5.9861 5.9861 6.1867 6.1867 6.2485 6.2485 6.4257 6.4257 6.4807 6.4807 6.7756 6.7756 6.8595 6.8595 7.0809 7.0809 7.2123 7.2123 7.2917 7.2917 7.3943 7.3943 7.5104 7.5104 7.5567 7.5567 7.9920 7.9920 8.2337 8.2337 8.6102 8.6102 9.6899 9.6899 10.0031 10.0031 10.1331 10.1331 10.3632 10.3632 k = 0.2159 0.1247-0.0000 ( 4338 PWs) bands (ev): -19.7506 -19.7506 -19.7399 -19.7399 -6.4355 -6.4355 -6.3745 -6.3745 -4.5732 -4.5732 -4.4377 -4.4377 -4.2932 -4.2932 -4.2654 -4.2654 3.0118 3.0118 5.5781 5.5781 5.9776 5.9776 6.1769 6.1769 6.2318 6.2318 6.4362 6.4362 6.4686 6.4686 6.7636 6.7636 6.8710 6.8710 7.1198 7.1198 7.2352 7.2352 7.3063 7.3063 7.4268 7.4268 7.5038 7.5038 7.5522 7.5522 8.0104 8.0104 8.2287 8.2287 8.6525 8.6525 9.6817 9.6817 9.9630 9.9630 10.1175 10.1175 10.3416 10.3416 k = 0.2273 0.1312-0.0000 ( 4334 PWs) bands (ev): -19.7483 -19.7483 -19.7379 -19.7379 -6.4403 -6.4403 -6.3818 -6.3818 -4.5781 -4.5781 -4.4495 -4.4495 -4.3042 -4.3042 -4.2731 -4.2731 3.0682 3.0682 5.5364 5.5364 5.9700 5.9700 6.1661 6.1661 6.2162 6.2162 6.4178 6.4178 6.4838 6.4838 6.7497 6.7497 6.8802 6.8802 7.1582 7.1582 7.2580 7.2580 7.3147 7.3147 7.4440 7.4440 7.5158 7.5158 7.5539 7.5539 8.0297 8.0297 8.2234 8.2234 8.6945 8.6945 9.6666 9.6666 9.9229 9.9229 10.1061 10.1061 10.3274 10.3274 k = 0.2386 0.1378-0.0000 ( 4338 PWs) bands (ev): -19.7460 -19.7460 -19.7359 -19.7359 -6.4453 -6.4453 -6.3892 -6.3892 -4.5833 -4.5833 -4.4620 -4.4620 -4.3148 -4.3148 -4.2802 -4.2802 3.1268 3.1268 5.4955 5.4955 5.9631 5.9631 6.1548 6.1548 6.2018 6.2018 6.3877 6.3877 6.5079 6.5079 6.7344 6.7344 6.8866 6.8866 7.1954 7.1954 7.2771 7.2771 7.3192 7.3192 7.4469 7.4469 7.5391 7.5391 7.5697 7.5697 8.0497 8.0497 8.2180 8.2180 8.7349 8.7349 9.6458 9.6458 9.8828 9.8828 10.0967 10.0967 10.3215 10.3215 k = 0.2500 0.1443-0.0000 ( 4344 PWs) bands (ev): -19.7437 -19.7437 -19.7339 -19.7339 -6.4503 -6.4503 -6.3968 -6.3968 -4.5889 -4.5889 -4.4749 -4.4749 -4.3247 -4.3247 -4.2868 -4.2868 3.1876 3.1876 5.4555 5.4555 5.9569 5.9569 6.1436 6.1436 6.1889 6.1889 6.3531 6.3531 6.5335 6.5335 6.7180 6.7180 6.8898 6.8898 7.2302 7.2302 7.2825 7.2825 7.3318 7.3318 7.4458 7.4458 7.5555 7.5555 7.6069 7.6069 8.0704 8.0704 8.2125 8.2125 8.7721 8.7721 9.6212 9.6212 9.8424 9.8424 10.0883 10.0883 10.3240 10.3240 k = 0.2614 0.1509-0.0000 ( 4340 PWs) bands (ev): -19.7414 -19.7414 -19.7319 -19.7319 -6.4555 -6.4555 -6.4045 -6.4045 -4.5948 -4.5948 -4.4882 -4.4882 -4.3339 -4.3339 -4.2928 -4.2928 3.2506 3.2506 5.4165 5.4165 5.9513 5.9513 6.1324 6.1324 6.1775 6.1775 6.3152 6.3152 6.5595 6.5595 6.7006 6.7006 6.8897 6.8897 7.2551 7.2551 7.2810 7.2810 7.3554 7.3554 7.4436 7.4436 7.5725 7.5725 7.6533 7.6533 8.0914 8.0914 8.2071 8.2071 8.8046 8.8046 9.5945 9.5945 9.8010 9.8010 10.0811 10.0811 10.3335 10.3335 k = 0.2727 0.1575-0.0000 ( 4340 PWs) bands (ev): -19.7391 -19.7391 -19.7298 -19.7298 -6.4607 -6.4607 -6.4122 -6.4122 -4.6010 -4.6010 -4.5017 -4.5017 -4.3425 -4.3425 -4.2984 -4.2984 3.3155 3.3155 5.3786 5.3786 5.9462 5.9462 6.1213 6.1213 6.1676 6.1676 6.2745 6.2745 6.5851 6.5851 6.6825 6.6825 6.8860 6.8860 7.2481 7.2481 7.3028 7.3028 7.3832 7.3832 7.4416 7.4416 7.5929 7.5929 7.7035 7.7035 8.1123 8.1123 8.2024 8.2024 8.8312 8.8312 9.5671 9.5671 9.7577 9.7577 10.0760 10.0760 10.3481 10.3481 k = 0.2841 0.1640-0.0000 ( 4340 PWs) bands (ev): -19.7368 -19.7368 -19.7279 -19.7279 -6.4660 -6.4660 -6.4200 -6.4200 -4.6074 -4.6074 -4.5153 -4.5153 -4.3503 -4.3503 -4.3035 -4.3035 3.3824 3.3824 5.3419 5.3419 5.9414 5.9414 6.1099 6.1099 6.1588 6.1588 6.2323 6.2323 6.6100 6.6100 6.6641 6.6641 6.8786 6.8786 7.2313 7.2313 7.3282 7.3282 7.4113 7.4113 7.4432 7.4432 7.6163 7.6163 7.7561 7.7561 8.1318 8.1318 8.1992 8.1992 8.8506 8.8506 9.5398 9.5398 9.7122 9.7122 10.0735 10.0735 10.3664 10.3664 k = 0.2955 0.1706-0.0000 ( 4336 PWs) bands (ev): -19.7345 -19.7345 -19.7259 -19.7259 -6.4712 -6.4712 -6.4277 -6.4277 -4.6141 -4.6141 -4.5289 -4.5289 -4.3573 -4.3573 -4.3083 -4.3083 3.4512 3.4512 5.3067 5.3067 5.9368 5.9368 6.0967 6.0967 6.1497 6.1497 6.1918 6.1918 6.6311 6.6311 6.6481 6.6481 6.8676 6.8676 7.2138 7.2138 7.3467 7.3467 7.4333 7.4333 7.4579 7.4579 7.6415 7.6415 7.8105 7.8105 8.1475 8.1475 8.2004 8.2004 8.8627 8.8627 9.5129 9.5129 9.6641 9.6641 10.0728 10.0728 10.3881 10.3881 k = 0.3068 0.1771-0.0000 ( 4316 PWs) bands (ev): -19.7323 -19.7323 -19.7240 -19.7240 -6.4764 -6.4764 -6.4353 -6.4353 -4.6209 -4.6209 -4.5424 -4.5424 -4.3635 -4.3635 -4.3127 -4.3127 3.5217 3.5217 5.2728 5.2728 5.9323 5.9323 6.0765 6.0765 6.1349 6.1349 6.1643 6.1643 6.6219 6.6219 6.6610 6.6610 6.8532 6.8532 7.1971 7.1971 7.3546 7.3546 7.4509 7.4509 7.4870 7.4870 7.6680 7.6680 7.8663 7.8663 8.1558 8.1558 8.2096 8.2096 8.8674 8.8674 9.4861 9.4861 9.6141 9.6141 10.0717 10.0717 10.4122 10.4122 k = 0.3182 0.1837-0.0000 ( 4324 PWs) bands (ev): -19.7301 -19.7301 -19.7221 -19.7221 -6.4815 -6.4815 -6.4429 -6.4429 -4.6277 -4.6277 -4.5556 -4.5556 -4.3691 -4.3691 -4.3168 -4.3168 3.5938 3.5938 5.2403 5.2403 5.9276 5.9276 6.0409 6.0409 6.1175 6.1175 6.1547 6.1547 6.6023 6.6023 6.6828 6.6828 6.8358 6.8358 7.1818 7.1818 7.3532 7.3532 7.4725 7.4725 7.5206 7.5206 7.6951 7.6951 7.9225 7.9225 8.1572 8.1572 8.2264 8.2264 8.8654 8.8654 9.4582 9.4582 9.5637 9.5637 10.0671 10.0671 10.4017 10.4017 k = 0.3295 0.1903-0.0000 ( 4338 PWs) bands (ev): -19.7280 -19.7280 -19.7204 -19.7204 -6.4865 -6.4865 -6.4502 -6.4502 -4.6346 -4.6346 -4.5684 -4.5684 -4.3739 -4.3739 -4.3206 -4.3206 3.6676 3.6676 5.2093 5.2093 5.9224 5.9224 5.9920 5.9920 6.1077 6.1077 6.1517 6.1517 6.5819 6.5819 6.7035 6.7035 6.8164 6.8164 7.1679 7.1679 7.3463 7.3463 7.4969 7.4969 7.5558 7.5558 7.7226 7.7226 7.9778 7.9778 8.1571 8.1571 8.2470 8.2470 8.8577 8.8577 9.4262 9.4262 9.5168 9.5168 10.0569 10.0569 10.3305 10.3305 k = 0.3409 0.1968-0.0000 ( 4336 PWs) bands (ev): -19.7260 -19.7260 -19.7186 -19.7186 -6.4914 -6.4914 -6.4574 -6.4574 -4.6413 -4.6413 -4.5808 -4.5808 -4.3780 -4.3780 -4.3241 -4.3241 3.7427 3.7427 5.1800 5.1800 5.9141 5.9141 5.9391 5.9391 6.1030 6.1030 6.1513 6.1513 6.5611 6.5611 6.7212 6.7212 6.7969 6.7969 7.1554 7.1554 7.3368 7.3368 7.5226 7.5226 7.5920 7.5920 7.7504 7.7504 8.0288 8.0288 8.1608 8.1608 8.2691 8.2691 8.8454 8.8454 9.3853 9.3853 9.4787 9.4787 10.0402 10.0402 10.2534 10.2534 k = 0.3523 0.2034-0.0000 ( 4336 PWs) bands (ev): -19.7240 -19.7240 -19.7170 -19.7170 -6.4960 -6.4960 -6.4644 -6.4644 -4.6479 -4.6479 -4.5928 -4.5928 -4.3815 -4.3815 -4.3275 -4.3275 3.8193 3.8193 5.1523 5.1523 5.8706 5.8706 5.9168 5.9168 6.1014 6.1014 6.1528 6.1528 6.5402 6.5402 6.7304 6.7304 6.7832 6.7832 7.1442 7.1442 7.3259 7.3259 7.5481 7.5481 7.6287 7.6287 7.7785 7.7785 8.0666 8.0666 8.1780 8.1780 8.2916 8.2916 8.8296 8.8296 9.3342 9.3342 9.4514 9.4514 10.0176 10.0176 10.1756 10.1756 k = 0.3636 0.2099-0.0000 ( 4332 PWs) bands (ev): -19.7221 -19.7221 -19.7155 -19.7155 -6.5005 -6.5005 -6.4710 -6.4710 -4.6542 -4.6542 -4.6041 -4.6041 -4.3845 -4.3845 -4.3306 -4.3306 3.8970 3.8970 5.1266 5.1266 5.8080 5.8080 5.9106 5.9106 6.1022 6.1022 6.1560 6.1560 6.5191 6.5191 6.7212 6.7212 6.7858 6.7858 7.1340 7.1340 7.3144 7.3144 7.5731 7.5731 7.6654 7.6654 7.8072 7.8072 8.0832 8.0832 8.2167 8.2167 8.3140 8.3140 8.8113 8.8113 9.2766 9.2766 9.4320 9.4320 9.9902 9.9902 10.0978 10.0978 k = 0.3750 0.2165-0.0000 ( 4328 PWs) bands (ev): -19.7204 -19.7204 -19.7140 -19.7140 -6.5047 -6.5047 -6.4774 -6.4774 -4.6602 -4.6602 -4.6149 -4.6149 -4.3869 -4.3869 -4.3334 -4.3334 3.9759 3.9759 5.1026 5.1026 5.7418 5.7418 5.9054 5.9054 6.1050 6.1050 6.1605 6.1605 6.4980 6.4980 6.6995 6.6995 6.7991 6.7991 7.1246 7.1246 7.3027 7.3027 7.5972 7.5972 7.7014 7.7014 7.8368 7.8368 8.0852 8.0852 8.2702 8.2702 8.3362 8.3362 8.7913 8.7913 9.2157 9.2157 9.4177 9.4177 9.9592 9.9592 10.0205 10.0205 k = 0.3864 0.2231-0.0000 ( 4330 PWs) bands (ev): -19.7187 -19.7187 -19.7127 -19.7127 -6.5086 -6.5086 -6.4834 -6.4834 -4.6658 -4.6658 -4.6250 -4.6250 -4.3889 -4.3889 -4.3361 -4.3361 4.0557 4.0557 5.0806 5.0806 5.6730 5.6730 5.9003 5.9003 6.1093 6.1093 6.1664 6.1664 6.4771 6.4771 6.6742 6.6742 6.8149 6.8149 7.1159 7.1159 7.2910 7.2910 7.6202 7.6202 7.7359 7.7359 7.8677 7.8677 8.0813 8.0813 8.3284 8.3284 8.3591 8.3591 8.7703 8.7703 9.1538 9.1538 9.4072 9.4072 9.9247 9.9247 9.9450 9.9450 k = 0.3977 0.2296-0.0000 ( 4326 PWs) bands (ev): -19.7172 -19.7172 -19.7115 -19.7115 -6.5122 -6.5122 -6.4890 -6.4890 -4.6709 -4.6709 -4.6343 -4.6343 -4.3905 -4.3905 -4.3386 -4.3386 4.1364 4.1364 5.0605 5.0605 5.6021 5.6021 5.8955 5.8955 6.1152 6.1152 6.1735 6.1735 6.4563 6.4563 6.6478 6.6478 6.8310 6.8310 7.1078 7.1078 7.2796 7.2796 7.6422 7.6422 7.7680 7.7680 7.9007 7.9007 8.0750 8.0750 8.3703 8.3703 8.3997 8.3997 8.7489 8.7489 9.0922 9.0922 9.3998 9.3998 9.8650 9.8650 9.8944 9.8944 k = 0.4091 0.2362-0.0000 ( 4330 PWs) bands (ev): -19.7158 -19.7158 -19.7103 -19.7103 -6.5154 -6.5154 -6.4941 -6.4941 -4.6756 -4.6756 -4.6429 -4.6429 -4.3917 -4.3917 -4.3408 -4.3408 4.2178 4.2178 5.0423 5.0423 5.5294 5.5294 5.8910 5.8910 6.1224 6.1224 6.1817 6.1817 6.4358 6.4358 6.6215 6.6215 6.8465 6.8465 7.1000 7.1000 7.2688 7.2688 7.6627 7.6627 7.7968 7.7968 7.9360 7.9360 8.0679 8.0679 8.3902 8.3902 8.4615 8.4615 8.7275 8.7275 9.0320 9.0320 9.3952 9.3952 9.7905 9.7905 9.8594 9.8594 k = 0.4205 0.2427-0.0000 ( 4342 PWs) bands (ev): -19.7146 -19.7146 -19.7094 -19.7094 -6.5183 -6.5183 -6.4988 -6.4988 -4.6796 -4.6796 -4.6507 -4.6507 -4.3927 -4.3927 -4.3428 -4.3428 4.2997 4.2997 5.0263 5.0263 5.4551 5.4551 5.8868 5.8868 6.1305 6.1305 6.1907 6.1907 6.4157 6.4157 6.5960 6.5960 6.8612 6.8612 7.0927 7.0927 7.2588 7.2588 7.6818 7.6818 7.8218 7.8218 7.9733 7.9733 8.0612 8.0612 8.4053 8.4053 8.5255 8.5255 8.7065 8.7065 8.9743 8.9743 9.3931 9.3931 9.7168 9.7168 9.8257 9.8257 k = 0.4318 0.2493-0.0000 ( 4340 PWs) bands (ev): -19.7135 -19.7135 -19.7085 -19.7085 -6.5208 -6.5208 -6.5030 -6.5030 -4.6831 -4.6831 -4.6576 -4.6576 -4.3934 -4.3934 -4.3446 -4.3446 4.3819 4.3819 5.0123 5.0123 5.3794 5.3794 5.8831 5.8831 6.1394 6.1394 6.2005 6.2005 6.3962 6.3962 6.5718 6.5718 6.8749 6.8749 7.0858 7.0858 7.2496 7.2496 7.6993 7.6993 7.8430 7.8430 8.0097 8.0097 8.0581 8.0581 8.4164 8.4164 8.5891 8.5891 8.6867 8.6867 8.9206 8.9206 9.3932 9.3932 9.6450 9.6450 9.7936 9.7936 k = 0.4432 0.2559-0.0000 ( 4336 PWs) bands (ev): -19.7125 -19.7125 -19.7078 -19.7078 -6.5229 -6.5229 -6.5066 -6.5066 -4.6859 -4.6859 -4.6637 -4.6637 -4.3939 -4.3939 -4.3462 -4.3462 4.4642 4.4642 5.0002 5.0002 5.3027 5.3027 5.8799 5.8799 6.1487 6.1487 6.2108 6.2108 6.3775 6.3775 6.5497 6.5497 6.8873 6.8873 7.0793 7.0793 7.2416 7.2416 7.7148 7.7148 7.8604 7.8604 8.0296 8.0296 8.0736 8.0736 8.4224 8.4224 8.6479 8.6479 8.6717 8.6717 8.8722 8.8722 9.3952 9.3952 9.5760 9.5760 9.7638 9.7638 k = 0.4545 0.2624-0.0000 ( 4332 PWs) bands (ev): -19.7117 -19.7117 -19.7072 -19.7072 -6.5246 -6.5246 -6.5096 -6.5096 -4.6881 -4.6881 -4.6688 -4.6688 -4.3942 -4.3942 -4.3475 -4.3475 4.5461 4.5461 4.9904 4.9904 5.2252 5.2252 5.8773 5.8773 6.1580 6.1580 6.2212 6.2212 6.3599 6.3599 6.5300 6.5300 6.8983 6.8983 7.0733 7.0733 7.2347 7.2347 7.7283 7.7283 7.8744 7.8744 8.0289 8.0289 8.1114 8.1114 8.4215 8.4215 8.6497 8.6497 8.7131 8.7131 8.8308 8.8308 9.3984 9.3984 9.5113 9.5113 9.7372 9.7372 k = 0.4659 0.2690-0.0000 ( 4326 PWs) bands (ev): -19.7111 -19.7111 -19.7067 -19.7067 -6.5259 -6.5259 -6.5121 -6.5121 -4.6897 -4.6897 -4.6730 -4.6730 -4.3944 -4.3944 -4.3485 -4.3485 4.6271 4.6271 4.9828 4.9828 5.1478 5.1478 5.8751 5.8751 6.1666 6.1666 6.2314 6.2314 6.3440 6.3440 6.5136 6.5136 6.9074 6.9074 7.0682 7.0682 7.2293 7.2293 7.7392 7.7392 7.8851 7.8851 8.0247 8.0247 8.1533 8.1533 8.4127 8.4127 8.6383 8.6383 8.7642 8.7642 8.7996 8.7996 9.4022 9.4022 9.4532 9.4532 9.7148 9.7148 k = 0.4773 0.2756-0.0000 ( 4338 PWs) bands (ev): -19.7106 -19.7106 -19.7064 -19.7064 -6.5269 -6.5269 -6.5138 -6.5138 -4.6908 -4.6908 -4.6761 -4.6761 -4.3945 -4.3945 -4.3493 -4.3493 4.7054 4.7054 4.9770 4.9770 5.0723 5.0723 5.8736 5.8736 6.1737 6.1737 6.2405 6.2405 6.3303 6.3303 6.5010 6.5010 6.9143 6.9143 7.0641 7.0641 7.2253 7.2253 7.7474 7.7474 7.8926 7.8926 8.0207 8.0207 8.1932 8.1932 8.3965 8.3965 8.6307 8.6307 8.7682 8.7682 8.8160 8.8160 9.4004 9.4004 9.4105 9.4105 9.6977 9.6977 k = 0.4886 0.2821-0.0000 ( 4338 PWs) bands (ev): -19.7104 -19.7104 -19.7062 -19.7062 -6.5274 -6.5274 -6.5149 -6.5149 -4.6913 -4.6913 -4.6780 -4.6780 -4.3946 -4.3946 -4.3497 -4.3497 4.7757 4.7757 4.9717 4.9717 5.0055 5.0055 5.8726 5.8726 6.1785 6.1785 6.2474 6.2474 6.3206 6.3206 6.4930 6.4930 6.9187 6.9187 7.0615 7.0615 7.2229 7.2229 7.7524 7.7524 7.8971 7.8971 8.0181 8.0181 8.2258 8.2258 8.3779 8.3779 8.6269 8.6269 8.7542 8.7542 8.8461 8.8461 9.3706 9.3706 9.4099 9.4099 9.6868 9.6868 k = 0.5000 0.2887-0.0000 ( 4330 PWs) bands (ev): -19.7103 -19.7103 -19.7061 -19.7061 -6.5276 -6.5276 -6.5153 -6.5153 -4.6915 -4.6915 -4.6787 -4.6787 -4.3946 -4.3946 -4.3499 -4.3499 4.8121 4.8121 4.9595 4.9595 4.9807 4.9807 5.8723 5.8723 6.1802 6.1802 6.2501 6.2501 6.3170 6.3170 6.4903 6.4903 6.9202 6.9202 7.0606 7.0606 7.2221 7.2221 7.7541 7.7541 7.8987 7.8987 8.0172 8.0172 8.2398 8.2398 8.3686 8.3686 8.6259 8.6259 8.7493 8.7493 8.8573 8.8573 9.3588 9.3588 9.4108 9.4108 9.6831 9.6831 k = 0.5000 0.2887-0.0000 ( 4330 PWs) bands (ev): -19.7103 -19.7103 -19.7061 -19.7061 -6.5276 -6.5276 -6.5153 -6.5153 -4.6915 -4.6915 -4.6787 -4.6787 -4.3946 -4.3946 -4.3499 -4.3499 4.8121 4.8121 4.9595 4.9595 4.9807 4.9807 5.8723 5.8723 6.1802 6.1802 6.2501 6.2501 6.3170 6.3170 6.4903 6.4903 6.9202 6.9202 7.0606 7.0606 7.2221 7.2221 7.7541 7.7541 7.8987 7.8987 8.0172 8.0172 8.2398 8.2398 8.3686 8.3686 8.6259 8.6259 8.7493 8.7493 8.8573 8.8573 9.3588 9.3588 9.4108 9.4108 9.6831 9.6831 k = 0.4933 0.3002-0.0000 ( 4332 PWs) bands (ev): -19.7102 -19.7102 -19.7061 -19.7061 -6.5276 -6.5276 -6.5153 -6.5153 -4.6913 -4.6913 -4.6786 -4.6786 -4.3951 -4.3951 -4.3504 -4.3504 4.8121 4.8121 4.9593 4.9593 4.9809 4.9809 5.8726 5.8726 6.1801 6.1801 6.2504 6.2504 6.3196 6.3196 6.4905 6.4905 6.9207 6.9207 7.0607 7.0607 7.2226 7.2226 7.7545 7.7545 7.8990 7.8990 8.0175 8.0175 8.2404 8.2404 8.3684 8.3684 8.6269 8.6269 8.7508 8.7508 8.8563 8.8563 9.3468 9.3468 9.4174 9.4174 9.6841 9.6841 k = 0.4867 0.3118-0.0000 ( 4328 PWs) bands (ev): -19.7102 -19.7102 -19.7060 -19.7060 -6.5276 -6.5276 -6.5154 -6.5154 -4.6907 -4.6907 -4.6782 -4.6782 -4.3966 -4.3966 -4.3519 -4.3519 4.8120 4.8120 4.9586 4.9586 4.9816 4.9816 5.8736 5.8736 6.1798 6.1798 6.2518 6.2518 6.3272 6.3272 6.4910 6.4910 6.9223 6.9223 7.0608 7.0608 7.2242 7.2242 7.7555 7.7555 7.9000 7.9000 8.0183 8.0183 8.2421 8.2421 8.3680 8.3680 8.6299 8.6299 8.7555 8.7555 8.8534 8.8534 9.3184 9.3184 9.4296 9.4296 9.6873 9.6873 k = 0.4800 0.3233-0.0000 ( 4340 PWs) bands (ev): -19.7100 -19.7100 -19.7059 -19.7059 -6.5277 -6.5277 -6.5155 -6.5155 -4.6898 -4.6898 -4.6776 -4.6776 -4.3991 -4.3991 -4.3545 -4.3545 4.8119 4.8119 4.9574 4.9574 4.9829 4.9829 5.8751 5.8751 6.1791 6.1791 6.2547 6.2547 6.3393 6.3393 6.4919 6.4919 6.9248 6.9248 7.0611 7.0611 7.2268 7.2268 7.7571 7.7571 7.9016 7.9016 8.0194 8.0194 8.2447 8.2447 8.3671 8.3671 8.6348 8.6348 8.7635 8.7635 8.8485 8.8485 9.2797 9.2797 9.4419 9.4419 9.6926 9.6926 k = 0.4733 0.3349-0.0000 ( 4348 PWs) bands (ev): -19.7098 -19.7098 -19.7058 -19.7058 -6.5278 -6.5278 -6.5157 -6.5157 -4.6884 -4.6884 -4.6768 -4.6768 -4.4026 -4.4026 -4.3580 -4.3580 4.8118 4.8118 4.9559 4.9559 4.9845 4.9845 5.8773 5.8773 6.1779 6.1779 6.2593 6.2593 6.3553 6.3553 6.4934 6.4934 6.9284 6.9284 7.0616 7.0616 7.2305 7.2305 7.7594 7.7594 7.9039 7.9039 8.0211 8.0211 8.2482 8.2482 8.3660 8.3660 8.6418 8.6418 8.7747 8.7747 8.8416 8.8416 9.2321 9.2321 9.4537 9.4537 9.7001 9.7001 k = 0.4667 0.3464-0.0000 ( 4336 PWs) bands (ev): -19.7095 -19.7095 -19.7056 -19.7056 -6.5279 -6.5279 -6.5160 -6.5160 -4.6867 -4.6867 -4.6758 -4.6758 -4.4069 -4.4069 -4.3624 -4.3624 4.8117 4.8117 4.9540 4.9540 4.9868 4.9868 5.8804 5.8804 6.1761 6.1761 6.2659 6.2659 6.3748 6.3748 6.4956 6.4956 6.9330 6.9330 7.0623 7.0623 7.2351 7.2351 7.7622 7.7622 7.9068 7.9068 8.0231 8.0231 8.2521 8.2521 8.3644 8.3644 8.6509 8.6509 8.7894 8.7894 8.8331 8.8331 9.1764 9.1764 9.4653 9.4653 9.7097 9.7097 k = 0.4600 0.3580-0.0000 ( 4340 PWs) bands (ev): -19.7092 -19.7092 -19.7053 -19.7053 -6.5280 -6.5280 -6.5163 -6.5163 -4.6847 -4.6847 -4.6745 -4.6745 -4.4121 -4.4121 -4.3677 -4.3677 4.8116 4.8116 4.9518 4.9518 4.9893 4.9893 5.8839 5.8839 6.1738 6.1738 6.2740 6.2740 6.3972 6.3972 6.4991 6.4991 6.9384 6.9384 7.0630 7.0630 7.2405 7.2405 7.7654 7.7654 7.9105 7.9105 8.0256 8.0256 8.2562 8.2562 8.3624 8.3624 8.6618 8.6618 8.8072 8.8072 8.8227 8.8227 9.1133 9.1133 9.4770 9.4770 9.7214 9.7214 k = 0.4533 0.3695-0.0000 ( 4340 PWs) bands (ev): -19.7089 -19.7089 -19.7050 -19.7050 -6.5282 -6.5282 -6.5167 -6.5167 -4.6823 -4.6823 -4.6730 -4.6730 -4.4180 -4.4180 -4.3739 -4.3739 4.8117 4.8117 4.9495 4.9495 4.9923 4.9923 5.8879 5.8879 6.1710 6.1710 6.2833 6.2833 6.4219 6.4219 6.5045 6.5045 6.9447 6.9447 7.0641 7.0641 7.2467 7.2467 7.7690 7.7690 7.9146 7.9146 8.0285 8.0285 8.2604 8.2604 8.3601 8.3601 8.6747 8.6747 8.8087 8.8087 8.8296 8.8296 9.0445 9.0445 9.4892 9.4892 9.7353 9.7353 k = 0.4467 0.3811-0.0000 ( 4336 PWs) bands (ev): -19.7084 -19.7084 -19.7047 -19.7047 -6.5283 -6.5283 -6.5172 -6.5172 -4.6796 -4.6796 -4.6713 -4.6713 -4.4246 -4.4246 -4.3807 -4.3807 4.8119 4.8119 4.9471 4.9471 4.9955 4.9955 5.8926 5.8926 6.1679 6.1679 6.2930 6.2930 6.4474 6.4474 6.5136 6.5136 6.9518 6.9518 7.0653 7.0653 7.2535 7.2535 7.7729 7.7729 7.9193 7.9193 8.0318 8.0318 8.2643 8.2643 8.3574 8.3574 8.6892 8.6892 8.7933 8.7933 8.8526 8.8526 8.9729 8.9729 9.5020 9.5020 9.7512 9.7512 k = 0.4400 0.3926-0.0000 ( 4336 PWs) bands (ev): -19.7080 -19.7080 -19.7044 -19.7044 -6.5286 -6.5286 -6.5177 -6.5177 -4.6767 -4.6767 -4.6693 -4.6693 -4.4318 -4.4318 -4.3883 -4.3883 4.8123 4.8123 4.9447 4.9447 4.9988 4.9988 5.8977 5.8977 6.1644 6.1644 6.3021 6.3021 6.4715 6.4715 6.5291 6.5291 6.9597 6.9597 7.0667 7.0667 7.2608 7.2608 7.7768 7.7768 7.9244 7.9244 8.0353 8.0353 8.2676 8.2676 8.3542 8.3542 8.7042 8.7042 8.7739 8.7739 8.8627 8.8627 8.9171 8.9171 9.5154 9.5154 9.7693 9.7693 k = 0.4333 0.4041-0.0000 ( 4336 PWs) bands (ev): -19.7075 -19.7075 -19.7041 -19.7041 -6.5288 -6.5288 -6.5182 -6.5182 -4.6735 -4.6735 -4.6672 -4.6672 -4.4395 -4.4395 -4.3964 -4.3964 4.8130 4.8130 4.9423 4.9423 5.0024 5.0024 5.9035 5.9035 6.1607 6.1607 6.3098 6.3098 6.4919 6.4919 6.5533 6.5533 6.9683 6.9683 7.0683 7.0683 7.2684 7.2684 7.7806 7.7806 7.9300 7.9300 8.0389 8.0389 8.2703 8.2703 8.3505 8.3505 8.7125 8.7125 8.7489 8.7489 8.8169 8.8169 8.9299 8.9299 9.5294 9.5294 9.7893 9.7893 k = 0.4267 0.4157-0.0000 ( 4332 PWs) bands (ev): -19.7070 -19.7070 -19.7037 -19.7037 -6.5290 -6.5290 -6.5189 -6.5189 -4.6702 -4.6702 -4.6648 -4.6648 -4.4476 -4.4476 -4.4049 -4.4049 4.8141 4.8141 4.9401 4.9401 5.0061 5.0061 5.9098 5.9098 6.1568 6.1568 6.3153 6.3153 6.5100 6.5100 6.5854 6.5854 6.9777 6.9777 7.0701 7.0701 7.2764 7.2764 7.7841 7.7841 7.9359 7.9359 8.0427 8.0427 8.2721 8.2721 8.3462 8.3462 8.6702 8.6702 8.7409 8.7409 8.7845 8.7845 8.9641 8.9641 9.5439 9.5439 9.8112 9.8112 k = 0.4200 0.4272-0.0000 ( 4328 PWs) bands (ev): -19.7065 -19.7065 -19.7033 -19.7033 -6.5293 -6.5293 -6.5196 -6.5196 -4.6669 -4.6669 -4.6621 -4.6621 -4.4559 -4.4559 -4.4139 -4.4139 4.8156 4.8156 4.9382 4.9382 5.0096 5.0096 5.9165 5.9165 6.1529 6.1529 6.3179 6.3179 6.5284 6.5284 6.6226 6.6226 6.9880 6.9880 7.0719 7.0719 7.2844 7.2844 7.7869 7.7869 7.9420 7.9420 8.0464 8.0464 8.2731 8.2731 8.3409 8.3409 8.5929 8.5929 8.7287 8.7287 8.7885 8.7885 9.0035 9.0035 9.5584 9.5584 9.8347 9.8347 k = 0.4133 0.4388-0.0000 ( 4326 PWs) bands (ev): -19.7059 -19.7059 -19.7029 -19.7029 -6.5296 -6.5296 -6.5203 -6.5203 -4.6636 -4.6636 -4.6590 -4.6590 -4.4643 -4.4643 -4.4231 -4.4231 4.8174 4.8174 4.9367 4.9367 5.0129 5.0129 5.9237 5.9237 6.1490 6.1490 6.3175 6.3175 6.5485 6.5485 6.6630 6.6630 6.9991 6.9991 7.0737 7.0737 7.2925 7.2925 7.7887 7.7887 7.9482 7.9482 8.0500 8.0500 8.2733 8.2733 8.3335 8.3335 8.5099 8.5099 8.7075 8.7075 8.8084 8.8084 9.0461 9.0461 9.5725 9.5725 9.8595 9.8595 k = 0.4067 0.4503-0.0000 ( 4322 PWs) bands (ev): -19.7053 -19.7053 -19.7025 -19.7025 -6.5299 -6.5299 -6.5211 -6.5211 -4.6605 -4.6605 -4.6556 -4.6556 -4.4726 -4.4726 -4.4324 -4.4324 4.8198 4.8198 4.9356 4.9356 5.0159 5.0159 5.9311 5.9311 6.1453 6.1453 6.3142 6.3142 6.5708 6.5708 6.7053 6.7053 7.0114 7.0114 7.0753 7.0753 7.3007 7.3007 7.7886 7.7886 7.9543 7.9543 8.0534 8.0534 8.2722 8.2722 8.3206 8.3206 8.4320 8.4320 8.6840 8.6840 8.8325 8.8325 9.0909 9.0909 9.5858 9.5858 9.8852 9.8852 k = 0.4000 0.4619-0.0000 ( 4322 PWs) bands (ev): -19.7048 -19.7048 -19.7022 -19.7022 -6.5302 -6.5302 -6.5220 -6.5220 -4.6576 -4.6576 -4.6520 -4.6520 -4.4808 -4.4808 -4.4418 -4.4418 4.8228 4.8228 4.9350 4.9350 5.0184 5.0184 5.9387 5.9387 6.1419 6.1419 6.3084 6.3084 6.5950 6.5950 6.7486 6.7486 7.0251 7.0251 7.0766 7.0766 7.3088 7.3088 7.7855 7.7855 7.9599 7.9599 8.0565 8.0565 8.2657 8.2657 8.2924 8.2924 8.3766 8.3766 8.6589 8.6589 8.8583 8.8583 9.1373 9.1373 9.5975 9.5975 9.9112 9.9112 k = 0.3933 0.4734-0.0000 ( 4334 PWs) bands (ev): -19.7042 -19.7042 -19.7018 -19.7018 -6.5305 -6.5305 -6.5229 -6.5229 -4.6547 -4.6547 -4.6483 -4.6483 -4.4886 -4.4886 -4.4512 -4.4512 4.8263 4.8263 4.9351 4.9351 5.0200 5.0200 5.9464 5.9464 6.1390 6.1390 6.3002 6.3002 6.6206 6.6206 6.7916 6.7916 7.0408 7.0408 7.0774 7.0774 7.3169 7.3169 7.7778 7.7778 7.9649 7.9649 8.0590 8.0590 8.2202 8.2202 8.2766 8.2766 8.3535 8.3535 8.6326 8.6326 8.8850 8.8850 9.1845 9.1845 9.6068 9.6068 9.9366 9.9366 k = 0.3867 0.4850-0.0000 ( 4336 PWs) bands (ev): -19.7036 -19.7036 -19.7015 -19.7015 -6.5308 -6.5308 -6.5238 -6.5238 -4.6520 -4.6520 -4.6446 -4.6446 -4.4958 -4.4958 -4.4603 -4.4603 4.8305 4.8305 4.9358 4.9358 5.0208 5.0208 5.9540 5.9540 6.1368 6.1368 6.2903 6.2903 6.6470 6.6470 6.8332 6.8332 7.0589 7.0589 7.0777 7.0777 7.3252 7.3252 7.7627 7.7627 7.9686 7.9686 8.0611 8.0611 8.1578 8.1578 8.2742 8.2742 8.3441 8.3441 8.6050 8.6050 8.9119 8.9119 9.2316 9.2316 9.6130 9.6130 9.9602 9.9602 k = 0.3800 0.4965-0.0000 ( 4338 PWs) bands (ev): -19.7031 -19.7031 -19.7012 -19.7012 -6.5311 -6.5311 -6.5247 -6.5247 -4.6494 -4.6494 -4.6412 -4.6412 -4.5023 -4.5023 -4.4692 -4.4692 4.8353 4.8353 4.9374 4.9374 5.0205 5.0205 5.9613 5.9613 6.1357 6.1357 6.2790 6.2790 6.6735 6.6735 6.8718 6.8718 7.0735 7.0735 7.0845 7.0845 7.3336 7.3336 7.7369 7.7369 7.9701 7.9701 8.0624 8.0624 8.1054 8.1054 8.2733 8.2733 8.3392 8.3392 8.5764 8.5764 8.9383 8.9383 9.2778 9.2778 9.6154 9.6154 9.9810 9.9810 k = 0.3733 0.5081-0.0000 ( 4346 PWs) bands (ev): -19.7026 -19.7026 -19.7009 -19.7009 -6.5313 -6.5313 -6.5256 -6.5256 -4.6470 -4.6470 -4.6381 -4.6381 -4.5079 -4.5079 -4.4776 -4.4776 4.8408 4.8408 4.9397 4.9397 5.0188 5.0188 5.9680 5.9680 6.1358 6.1358 6.2665 6.2665 6.6996 6.6996 6.9060 6.9060 7.0724 7.0724 7.1104 7.1104 7.3423 7.3423 7.6981 7.6981 7.9686 7.9686 8.0610 8.0610 8.0719 8.0719 8.2733 8.2733 8.3366 8.3366 8.5468 8.5468 8.9638 8.9638 9.3223 9.3223 9.6135 9.6135 9.9976 9.9976 k = 0.3667 0.5196-0.0000 ( 4350 PWs) bands (ev): -19.7021 -19.7021 -19.7007 -19.7007 -6.5315 -6.5315 -6.5265 -6.5265 -4.6447 -4.6447 -4.6355 -4.6355 -4.5123 -4.5123 -4.4854 -4.4854 4.8468 4.8468 4.9429 4.9429 5.0155 5.0155 5.9739 5.9739 6.1375 6.1375 6.2532 6.2532 6.7245 6.7245 6.9348 6.9348 7.0684 7.0684 7.1425 7.1425 7.3511 7.3511 7.6474 7.6474 7.9646 7.9646 8.0489 8.0489 8.0656 8.0656 8.2744 8.2744 8.3359 8.3359 8.5165 8.5165 8.9876 8.9876 9.3642 9.3642 9.6072 9.6072 10.0093 10.0093 k = 0.3600 0.5312-0.0000 ( 4350 PWs) bands (ev): -19.7017 -19.7017 -19.7005 -19.7005 -6.5316 -6.5316 -6.5274 -6.5274 -4.6427 -4.6427 -4.6335 -4.6335 -4.5155 -4.5155 -4.4926 -4.4926 4.8533 4.8533 4.9471 4.9471 5.0104 5.0104 5.9788 5.9788 6.1411 6.1411 6.2396 6.2396 6.7476 6.7476 6.9582 6.9582 7.0624 7.0624 7.1794 7.1794 7.3600 7.3600 7.5893 7.5893 7.9606 7.9606 8.0425 8.0425 8.0647 8.0647 8.2771 8.2771 8.3372 8.3372 8.4853 8.4853 9.0091 9.0091 9.4022 9.4022 9.5970 9.5970 10.0158 10.0158 k = 0.3533 0.5427-0.0000 ( 4350 PWs) bands (ev): -19.7013 -19.7013 -19.7004 -19.7004 -6.5316 -6.5316 -6.5282 -6.5282 -4.6410 -4.6410 -4.6321 -4.6321 -4.5173 -4.5173 -4.4989 -4.4989 4.8600 4.8600 4.9521 4.9521 5.0035 5.0035 5.9826 5.9826 6.1466 6.1466 6.2258 6.2258 6.7678 6.7678 6.9770 6.9770 7.0546 7.0546 7.2191 7.2191 7.3683 7.3683 7.5293 7.5293 7.9581 7.9581 8.0419 8.0419 8.0634 8.0634 8.2817 8.2817 8.3407 8.3407 8.4539 8.4539 9.0274 9.0274 9.4352 9.4352 9.5842 9.5842 10.0179 10.0179 k = 0.3467 0.5543-0.0000 ( 4358 PWs) bands (ev): -19.7010 -19.7010 -19.7004 -19.7004 -6.5316 -6.5316 -6.5289 -6.5289 -4.6398 -4.6398 -4.6312 -4.6312 -4.5177 -4.5177 -4.5043 -4.5043 4.8665 4.8665 4.9581 4.9581 4.9948 4.9948 5.9851 5.9851 6.1539 6.1539 6.2124 6.2124 6.7842 6.7842 6.9919 6.9919 7.0453 7.0453 7.2600 7.2600 7.3739 7.3739 7.4736 7.4736 7.9571 7.9571 8.0441 8.0441 8.0614 8.0614 8.2883 8.2883 8.3469 8.3469 8.4224 8.4224 9.0417 9.0417 9.4612 9.4612 9.5713 9.5713 10.0171 10.0171 k = 0.3400 0.5658-0.0000 ( 4358 PWs) bands (ev): -19.7007 -19.7007 -19.7004 -19.7004 -6.5315 -6.5315 -6.5295 -6.5295 -4.6391 -4.6391 -4.6308 -4.6308 -4.5171 -4.5171 -4.5084 -4.5084 4.8719 4.8719 4.9648 4.9648 4.9853 4.9853 5.9865 5.9865 6.1620 6.1620 6.2005 6.2005 6.7953 6.7953 7.0030 7.0030 7.0362 7.0362 7.2999 7.2999 7.3686 7.3686 7.4334 7.4334 7.9570 7.9570 8.0473 8.0473 8.0589 8.0589 8.2964 8.2964 8.3561 8.3561 8.3929 8.3929 9.0510 9.0510 9.4775 9.4775 9.5617 9.5617 10.0153 10.0153 k = 0.3333 0.5774-0.0000 ( 4356 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5314 -6.5314 -6.5297 -6.5297 -4.6388 -4.6388 -4.6307 -4.6307 -4.5164 -4.5164 -4.5102 -4.5102 4.8744 4.8744 4.9694 4.9694 4.9791 4.9791 5.9869 5.9869 6.1667 6.1667 6.1946 6.1946 6.7994 6.7994 7.0076 7.0076 7.0317 7.0317 7.3310 7.3310 7.3467 7.3467 7.4226 7.4226 7.9571 7.9571 8.0494 8.0494 8.0571 8.0571 8.3016 8.3016 8.3657 8.3657 8.3737 8.3737 9.0542 9.0542 9.4826 9.4826 9.5587 9.5587 10.0144 10.0144 k = 0.3333 0.5774-0.0000 ( 4356 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5314 -6.5314 -6.5297 -6.5297 -4.6388 -4.6388 -4.6307 -4.6307 -4.5164 -4.5164 -4.5102 -4.5102 4.8744 4.8744 4.9694 4.9694 4.9791 4.9791 5.9869 5.9869 6.1667 6.1667 6.1946 6.1946 6.7994 6.7994 7.0076 7.0076 7.0317 7.0317 7.3310 7.3310 7.3467 7.3467 7.4226 7.4226 7.9571 7.9571 8.0494 8.0494 8.0571 8.0571 8.3016 8.3016 8.3657 8.3657 8.3737 8.3737 9.0542 9.0542 9.4826 9.4826 9.5587 9.5587 10.0144 10.0144 k = 0.3267 0.5658-0.0000 ( 4362 PWs) bands (ev): -19.7007 -19.7007 -19.7004 -19.7004 -6.5315 -6.5315 -6.5294 -6.5294 -4.6390 -4.6390 -4.6308 -4.6308 -4.5172 -4.5172 -4.5084 -4.5084 4.8707 4.8707 4.9662 4.9662 4.9850 4.9850 5.9865 5.9865 6.1615 6.1615 6.2010 6.2010 6.7949 6.7949 7.0044 7.0044 7.0355 7.0355 7.3009 7.3009 7.3739 7.3739 7.4268 7.4268 7.9568 7.9568 8.0467 8.0467 8.0592 8.0592 8.2917 8.2917 8.3664 8.3664 8.3878 8.3878 9.0508 9.0508 9.4796 9.4796 9.5602 9.5602 10.0157 10.0157 k = 0.3200 0.5543-0.0000 ( 4350 PWs) bands (ev): -19.7010 -19.7010 -19.7004 -19.7004 -6.5316 -6.5316 -6.5288 -6.5288 -4.6395 -4.6395 -4.6310 -4.6310 -4.5181 -4.5181 -4.5044 -4.5044 4.8576 4.8576 4.9661 4.9661 4.9950 4.9950 5.9857 5.9857 6.1514 6.1514 6.2149 6.2149 6.7812 6.7812 7.0000 7.0000 7.0426 7.0426 7.2677 7.2677 7.4020 7.4020 7.4353 7.4353 7.9557 7.9557 8.0409 8.0409 8.0630 8.0630 8.2662 8.2662 8.3854 8.3854 8.4098 8.4098 9.0404 9.0404 9.4746 9.4746 9.5618 9.5618 10.0198 10.0198 k = 0.3133 0.5427-0.0000 ( 4338 PWs) bands (ev): -19.7014 -19.7014 -19.7004 -19.7004 -6.5316 -6.5316 -6.5278 -6.5278 -4.6401 -4.6401 -4.6313 -4.6313 -4.5182 -4.5182 -4.4993 -4.4993 4.8345 4.8345 4.9720 4.9720 5.0065 5.0065 5.9846 5.9846 6.1406 6.1406 6.2319 6.2319 6.7597 6.7597 6.9977 6.9977 7.0502 7.0502 7.2397 7.2397 7.4221 7.4221 7.4471 7.4471 7.9534 7.9534 8.0333 8.0333 8.0662 8.0662 8.2356 8.2356 8.4160 8.4160 8.4369 8.4369 9.0235 9.0235 9.4714 9.4714 9.5610 9.5610 10.0267 10.0267 k = 0.3067 0.5312-0.0000 ( 4334 PWs) bands (ev): -19.7019 -19.7019 -19.7006 -19.7006 -6.5315 -6.5315 -6.5265 -6.5265 -4.6405 -4.6405 -4.6317 -4.6317 -4.5175 -4.5175 -4.4934 -4.4934 4.8031 4.8031 4.9825 4.9825 5.0192 5.0192 5.9833 5.9833 6.1302 6.1302 6.2508 6.2508 6.7328 6.7328 6.9971 6.9971 7.0575 7.0575 7.2169 7.2169 7.4331 7.4331 7.4616 7.4616 7.9498 7.9498 8.0240 8.0240 8.0681 8.0681 8.2044 8.2044 8.4544 8.4544 8.4689 8.4689 9.0012 9.0012 9.4710 9.4710 9.5575 9.5575 10.0355 10.0355 k = 0.3000 0.5196-0.0000 ( 4334 PWs) bands (ev): -19.7025 -19.7025 -19.7008 -19.7008 -6.5312 -6.5312 -6.5249 -6.5249 -4.6408 -4.6408 -4.6320 -4.6320 -4.5159 -4.5159 -4.4870 -4.4870 4.7648 4.7648 4.9960 4.9960 5.0332 5.0332 5.9821 5.9821 6.1205 6.1205 6.2713 6.2713 6.7035 6.7035 6.9969 6.9969 7.0644 7.0644 7.1989 7.1989 7.4387 7.4387 7.4746 7.4746 7.9447 7.9447 8.0128 8.0128 8.0672 8.0672 8.1751 8.1751 8.4976 8.4976 8.5071 8.5071 8.9752 8.9752 9.4736 9.4736 9.5522 9.5522 10.0452 10.0452 k = 0.2933 0.5081-0.0000 ( 4326 PWs) bands (ev): -19.7032 -19.7032 -19.7012 -19.7012 -6.5306 -6.5306 -6.5230 -6.5230 -4.6407 -4.6407 -4.6322 -4.6322 -4.5136 -4.5136 -4.4801 -4.4801 4.7205 4.7205 5.0118 5.0118 5.0482 5.0482 5.9811 5.9811 6.1118 6.1118 6.2930 6.2930 6.6740 6.6740 6.9960 6.9960 7.0709 7.0709 7.1851 7.1851 7.4413 7.4413 7.4837 7.4837 7.9381 7.9381 7.9996 7.9996 8.0612 8.0612 8.1507 8.1507 8.5395 8.5395 8.5561 8.5561 8.9479 8.9479 9.4785 9.4785 9.5459 9.5459 10.0541 10.0541 k = 0.2867 0.4965-0.0000 ( 4320 PWs) bands (ev): -19.7040 -19.7040 -19.7016 -19.7016 -6.5298 -6.5298 -6.5208 -6.5208 -4.6403 -4.6403 -4.6320 -4.6320 -4.5104 -4.5104 -4.4729 -4.4729 4.6708 4.6708 5.0294 5.0294 5.0645 5.0645 5.9804 5.9804 6.1039 6.1039 6.3158 6.3158 6.6461 6.6461 6.9933 6.9933 7.0771 7.0771 7.1750 7.1750 7.4417 7.4417 7.4885 7.4885 7.9300 7.9300 7.9839 7.9839 8.0475 8.0475 8.1344 8.1344 8.5795 8.5795 8.6131 8.6131 8.9222 8.9222 9.4849 9.4849 9.5401 9.5401 10.0605 10.0605 k = 0.2800 0.4850-0.0000 ( 4320 PWs) bands (ev): -19.7049 -19.7049 -19.7022 -19.7022 -6.5286 -6.5286 -6.5182 -6.5182 -4.6395 -4.6395 -4.6314 -4.6314 -4.5067 -4.5067 -4.4654 -4.4654 4.6165 4.6165 5.0483 5.0483 5.0818 5.0818 5.9802 5.9802 6.0969 6.0969 6.3397 6.3397 6.6210 6.6210 6.9884 6.9884 7.0830 7.0830 7.1681 7.1681 7.4401 7.4401 7.4893 7.4893 7.9203 7.9203 7.9652 7.9652 8.0265 8.0265 8.1267 8.1267 8.6153 8.6153 8.6754 8.6754 8.9030 8.9030 9.4916 9.4916 9.5363 9.5363 10.0622 10.0622 k = 0.2733 0.4734-0.0000 ( 4316 PWs) bands (ev): -19.7059 -19.7059 -19.7029 -19.7029 -6.5272 -6.5272 -6.5153 -6.5153 -4.6386 -4.6386 -4.6301 -4.6301 -4.5023 -4.5023 -4.4578 -4.4578 4.5578 4.5578 5.0687 5.0687 5.1003 5.1003 5.9804 5.9804 6.0906 6.0906 6.3643 6.3643 6.5992 6.5992 6.9810 6.9810 7.0885 7.0885 7.1641 7.1641 7.4369 7.4369 7.4865 7.4865 7.9091 7.9091 7.9429 7.9429 8.0023 8.0023 8.1245 8.1245 8.6403 8.6403 8.7418 8.7418 8.8975 8.8975 9.4967 9.4967 9.5369 9.5369 10.0569 10.0569 k = 0.2667 0.4619-0.0000 ( 4320 PWs) bands (ev): -19.7071 -19.7071 -19.7036 -19.7036 -6.5255 -6.5255 -6.5120 -6.5120 -4.6376 -4.6376 -4.6279 -4.6279 -4.4974 -4.4974 -4.4500 -4.4500 4.4955 4.4955 5.0901 5.0901 5.1199 5.1199 5.9812 5.9812 6.0852 6.0852 6.3896 6.3896 6.5814 6.5814 6.9713 6.9713 7.0938 7.0938 7.1622 7.1622 7.4322 7.4322 7.4806 7.4806 7.8961 7.8961 7.9168 7.9168 7.9780 7.9780 8.1251 8.1251 8.6473 8.6473 8.8112 8.8112 8.9131 8.9131 9.4989 9.4989 9.5437 9.5437 10.0426 10.0426 k = 0.2600 0.4503-0.0000 ( 4316 PWs) bands (ev): -19.7083 -19.7083 -19.7045 -19.7045 -6.5235 -6.5235 -6.5083 -6.5083 -4.6365 -4.6365 -4.6247 -4.6247 -4.4920 -4.4920 -4.4421 -4.4421 4.4298 4.4298 5.1126 5.1126 5.1405 5.1405 5.9826 5.9826 6.0804 6.0804 6.4154 6.4154 6.5677 6.5677 6.9596 6.9596 7.0988 7.0988 7.1618 7.1618 7.4264 7.4264 7.4720 7.4720 7.8795 7.8795 7.8894 7.8894 7.9548 7.9548 8.1273 8.1273 8.6360 8.6360 8.8830 8.8830 8.9497 8.9497 9.4995 9.4995 9.5560 9.5560 10.0181 10.0181 k = 0.2533 0.4388-0.0000 ( 4324 PWs) bands (ev): -19.7097 -19.7097 -19.7055 -19.7055 -6.5212 -6.5212 -6.5042 -6.5042 -4.6353 -4.6353 -4.6207 -4.6207 -4.4862 -4.4862 -4.4341 -4.4341 4.3614 4.3614 5.1362 5.1362 5.1622 5.1622 5.9847 5.9847 6.0763 6.0763 6.4412 6.4412 6.5583 6.5583 6.9460 6.9460 7.1035 7.1035 7.1622 7.1622 7.4199 7.4199 7.4613 7.4613 7.8513 7.8513 7.8696 7.8696 7.9322 7.9322 8.1303 8.1303 8.6126 8.6126 8.9562 8.9562 9.0011 9.0011 9.5000 9.5000 9.5727 9.5727 9.9835 9.9835 k = 0.2467 0.4272-0.0000 ( 4328 PWs) bands (ev): -19.7111 -19.7111 -19.7066 -19.7066 -6.5185 -6.5185 -6.4998 -6.4998 -4.6338 -4.6338 -4.6157 -4.6157 -4.4800 -4.4800 -4.4261 -4.4261 4.2907 4.2907 5.1607 5.1607 5.1848 5.1848 5.9876 5.9876 6.0730 6.0730 6.4666 6.4666 6.5535 6.5535 6.9310 6.9310 7.1079 7.1079 7.1628 7.1628 7.4128 7.4128 7.4489 7.4489 7.8177 7.8177 7.8523 7.8523 7.9098 7.9098 8.1339 8.1339 8.5826 8.5826 9.0299 9.0299 9.0613 9.0613 9.5016 9.5016 9.5931 9.5931 9.9401 9.9401 k = 0.2400 0.4157-0.0000 ( 4328 PWs) bands (ev): -19.7127 -19.7127 -19.7078 -19.7078 -6.5156 -6.5156 -6.4949 -6.4949 -4.6320 -4.6320 -4.6100 -4.6100 -4.4733 -4.4733 -4.4181 -4.4181 4.2182 4.2182 5.1862 5.1862 5.2085 5.2085 5.9912 5.9912 6.0702 6.0702 6.4904 6.4904 6.5542 6.5542 6.9147 6.9147 7.1120 7.1120 7.1632 7.1632 7.4056 7.4056 7.4354 7.4354 7.7829 7.7829 7.8342 7.8342 7.8872 7.8872 8.1379 8.1379 8.5495 8.5495 9.1027 9.1027 9.1269 9.1269 9.5047 9.5047 9.6175 9.6175 9.8902 9.8902 k = 0.2333 0.4041-0.0000 ( 4326 PWs) bands (ev): -19.7144 -19.7144 -19.7091 -19.7091 -6.5123 -6.5123 -6.4897 -6.4897 -4.6299 -4.6299 -4.6034 -4.6034 -4.4663 -4.4663 -4.4100 -4.4100 4.1443 4.1443 5.2125 5.2125 5.2331 5.2331 5.9957 5.9957 6.0682 6.0682 6.5102 6.5102 6.5620 6.5620 6.8974 6.8974 7.1156 7.1156 7.1627 7.1627 7.3984 7.3984 7.4213 7.4213 7.7476 7.7476 7.8151 7.8151 7.8642 7.8642 8.1422 8.1422 8.5148 8.5148 9.1725 9.1725 9.1964 9.1964 9.5089 9.5089 9.6457 9.6457 9.8368 9.8368 k = 0.2267 0.3926-0.0000 ( 4322 PWs) bands (ev): -19.7162 -19.7162 -19.7106 -19.7106 -6.5088 -6.5088 -6.4842 -6.4842 -4.6275 -4.6275 -4.5961 -4.5961 -4.4588 -4.4588 -4.4020 -4.4020 4.0695 4.0695 5.2397 5.2397 5.2587 5.2587 6.0010 6.0010 6.0671 6.0671 6.5245 6.5245 6.5780 6.5780 6.8793 6.8793 7.1185 7.1185 7.1610 7.1610 7.3906 7.3906 7.4081 7.4081 7.7122 7.7122 7.7949 7.7949 7.8408 7.8408 8.1468 8.1468 8.4796 8.4796 9.2382 9.2382 9.2686 9.2686 9.5132 9.5132 9.6754 9.6754 9.7858 9.7858 k = 0.2200 0.3811-0.0000 ( 4328 PWs) bands (ev): -19.7181 -19.7181 -19.7121 -19.7121 -6.5050 -6.5050 -6.4783 -6.4783 -4.6249 -4.6249 -4.5881 -4.5881 -4.4510 -4.4510 -4.3940 -4.3940 3.9942 3.9942 5.2677 5.2677 5.2851 5.2851 6.0071 6.0071 6.0669 6.0669 6.5351 6.5351 6.5997 6.5997 6.8604 6.8604 7.1207 7.1207 7.1577 7.1577 7.3804 7.3804 7.3983 7.3983 7.6769 7.6769 7.7736 7.7736 7.8167 7.8167 8.1515 8.1515 8.4445 8.4445 9.2991 9.2991 9.3414 9.3414 9.5148 9.5148 9.6861 9.6861 9.7629 9.7629 k = 0.2133 0.3695-0.0000 ( 4334 PWs) bands (ev): -19.7200 -19.7200 -19.7137 -19.7137 -6.5009 -6.5009 -6.4721 -6.4721 -4.6219 -4.6219 -4.5795 -4.5795 -4.4428 -4.4428 -4.3860 -4.3860 3.9186 3.9186 5.2963 5.2963 5.3123 5.3123 6.0141 6.0141 6.0676 6.0676 6.5446 6.5446 6.6234 6.6234 6.8413 6.8413 7.1216 7.1216 7.1528 7.1528 7.3673 7.3673 7.3930 7.3930 7.6420 7.6420 7.7513 7.7513 7.7922 7.7922 8.1563 8.1563 8.4097 8.4097 9.3549 9.3549 9.4135 9.4135 9.5065 9.5065 9.6596 9.6596 9.7952 9.7952 k = 0.2067 0.3580-0.0000 ( 4336 PWs) bands (ev): -19.7221 -19.7221 -19.7153 -19.7153 -6.4966 -6.4966 -6.4656 -6.4656 -4.6187 -4.6187 -4.5702 -4.5702 -4.4343 -4.4343 -4.3780 -4.3780 3.8432 3.8432 5.3257 5.3257 5.3403 5.3403 6.0220 6.0220 6.0693 6.0693 6.5542 6.5542 6.6471 6.6471 6.8223 6.8223 7.1209 7.1209 7.1464 7.1464 7.3535 7.3535 7.3910 7.3910 7.6076 7.6076 7.7282 7.7282 7.7673 7.7673 8.1611 8.1611 8.3755 8.3755 9.4037 9.4037 9.4772 9.4772 9.4858 9.4858 9.6416 9.6416 9.8483 9.8483 k = 0.2000 0.3464-0.0000 ( 4324 PWs) bands (ev): -19.7242 -19.7242 -19.7171 -19.7171 -6.4920 -6.4920 -6.4588 -6.4588 -4.6152 -4.6152 -4.5603 -4.5603 -4.4253 -4.4253 -4.3700 -4.3700 3.7681 3.7681 5.3558 5.3558 5.3691 5.3691 6.0308 6.0308 6.0722 6.0722 6.5642 6.5642 6.6691 6.6691 6.8044 6.8044 7.1176 7.1176 7.1390 7.1390 7.3405 7.3405 7.3910 7.3910 7.5738 7.5738 7.7043 7.7043 7.7420 7.7420 8.1659 8.1659 8.3422 8.3422 9.4131 9.4131 9.4644 9.4644 9.5529 9.5529 9.6445 9.6445 9.9090 9.9090 k = 0.1933 0.3349-0.0000 ( 4328 PWs) bands (ev): -19.7264 -19.7264 -19.7189 -19.7189 -6.4873 -6.4873 -6.4518 -6.4518 -4.6115 -4.6115 -4.5500 -4.5500 -4.4159 -4.4159 -4.3620 -4.3620 3.6938 3.6938 5.3863 5.3863 5.3985 5.3985 6.0404 6.0404 6.0762 6.0762 6.5740 6.5740 6.6870 6.6870 6.7894 6.7894 7.1107 7.1107 7.1313 7.1313 7.3294 7.3294 7.3926 7.3926 7.5408 7.5408 7.6797 7.6797 7.7166 7.7166 8.1702 8.1702 8.3101 8.3101 9.3555 9.3555 9.5022 9.5022 9.6175 9.6175 9.6617 9.6617 9.9714 9.9714 k = 0.1867 0.3233-0.0000 ( 4324 PWs) bands (ev): -19.7286 -19.7286 -19.7208 -19.7208 -6.4824 -6.4824 -6.4446 -6.4446 -4.6077 -4.6077 -4.5391 -4.5391 -4.4062 -4.4062 -4.3540 -4.3540 3.6203 3.6203 5.4175 5.4175 5.4286 5.4286 6.0509 6.0509 6.0815 6.0815 6.5829 6.5829 6.6977 6.6977 6.7808 6.7808 7.1000 7.1000 7.1230 7.1230 7.3211 7.3211 7.3952 7.3952 7.5086 7.5086 7.6544 7.6544 7.6911 7.6911 8.1739 8.1739 8.2795 8.2795 9.2881 9.2881 9.5422 9.5422 9.6695 9.6695 9.6963 9.6963 10.0265 10.0265 k = 0.1800 0.3118-0.0000 ( 4322 PWs) bands (ev): -19.7309 -19.7309 -19.7228 -19.7228 -6.4774 -6.4774 -6.4372 -6.4372 -4.6037 -4.6037 -4.5279 -4.5279 -4.3960 -4.3960 -4.3459 -4.3459 3.5479 3.5479 5.4491 5.4491 5.4593 5.4593 6.0623 6.0623 6.0880 6.0880 6.5893 6.5893 6.6991 6.6991 6.7816 6.7816 7.0864 7.0864 7.1132 7.1132 7.3161 7.3161 7.3982 7.3982 7.4777 7.4777 7.6287 7.6287 7.6659 7.6659 8.1759 8.1759 8.2515 8.2515 9.2181 9.2181 9.5813 9.5813 9.7027 9.7027 9.7520 9.7520 10.0597 10.0597 k = 0.1733 0.3002-0.0000 ( 4326 PWs) bands (ev): -19.7332 -19.7332 -19.7248 -19.7248 -6.4723 -6.4723 -6.4296 -6.4296 -4.5996 -4.5996 -4.5164 -4.5164 -4.3854 -4.3854 -4.3378 -4.3378 3.4768 3.4768 5.4812 5.4812 5.4904 5.4904 6.0744 6.0744 6.0959 6.0959 6.5909 6.5909 6.6953 6.6953 6.7892 6.7892 7.0708 7.0708 7.1010 7.1010 7.3148 7.3148 7.4003 7.4003 7.4490 7.4490 7.6027 7.6027 7.6413 7.6413 8.1734 8.1734 8.2290 8.2290 9.1474 9.1474 9.6198 9.6198 9.7347 9.7347 9.8100 9.8100 10.0634 10.0634 k = 0.1667 0.2887-0.0000 ( 4338 PWs) bands (ev): -19.7356 -19.7356 -19.7268 -19.7268 -6.4672 -6.4672 -6.4220 -6.4220 -4.5954 -4.5954 -4.5046 -4.5046 -4.3745 -4.3745 -4.3295 -4.3295 3.4072 3.4072 5.5136 5.5136 5.5221 5.5221 6.0871 6.0871 6.1052 6.1052 6.5851 6.5851 6.6933 6.6933 6.7987 6.7987 7.0537 7.0537 7.0862 7.0862 7.3167 7.3167 7.3970 7.3970 7.4263 7.4263 7.5766 7.5766 7.6178 7.6178 8.1615 8.1615 8.2167 8.2167 9.0770 9.0770 9.6580 9.6580 9.7688 9.7688 9.8663 9.8663 10.0475 10.0475 k = 0.1600 0.2771-0.0000 ( 4342 PWs) bands (ev): -19.7380 -19.7380 -19.7289 -19.7289 -6.4620 -6.4620 -6.4143 -6.4143 -4.5912 -4.5912 -4.4927 -4.4927 -4.3632 -4.3632 -4.3212 -4.3212 3.3392 3.3392 5.5463 5.5463 5.5542 5.5542 6.1003 6.1003 6.1162 6.1162 6.5715 6.5715 6.6960 6.6960 6.8070 6.8070 7.0356 7.0356 7.0691 7.0691 7.3206 7.3206 7.3806 7.3806 7.4176 7.4176 7.5509 7.5509 7.5963 7.5963 8.1409 8.1409 8.2142 8.2142 9.0076 9.0076 9.6958 9.6958 9.8051 9.8051 9.9204 9.9204 10.0234 10.0234 k = 0.1533 0.2656-0.0000 ( 4346 PWs) bands (ev): -19.7404 -19.7404 -19.7309 -19.7309 -6.4568 -6.4568 -6.4066 -6.4066 -4.5870 -4.5870 -4.4809 -4.4809 -4.3515 -4.3515 -4.3126 -4.3126 3.2730 3.2730 5.5792 5.5792 5.5866 5.5866 6.1137 6.1137 6.1289 6.1289 6.5520 6.5520 6.7029 6.7029 6.8128 6.8128 7.0166 7.0166 7.0499 7.0499 7.3224 7.3224 7.3607 7.3607 7.4149 7.4149 7.5264 7.5264 7.5777 7.5777 8.1170 8.1170 8.2162 8.2162 8.9399 8.9399 9.7327 9.7327 9.8432 9.8432 9.9719 9.9719 9.9981 9.9981 k = 0.1467 0.2540-0.0000 ( 4346 PWs) bands (ev): -19.7428 -19.7428 -19.7330 -19.7330 -6.4517 -6.4517 -6.3989 -6.3989 -4.5829 -4.5829 -4.4691 -4.4691 -4.3395 -4.3395 -4.3038 -4.3038 3.2087 3.2087 5.6124 5.6124 5.6193 5.6193 6.1273 6.1273 6.1433 6.1433 6.5288 6.5288 6.7119 6.7119 6.8155 6.8155 6.9972 6.9972 7.0290 7.0290 7.3126 7.3126 7.3508 7.3508 7.4110 7.4110 7.5049 7.5049 7.5632 7.5632 8.0925 8.0925 8.2196 8.2196 8.8744 8.8744 9.7667 9.7667 9.8827 9.8827 9.9740 9.9740 10.0235 10.0235 k = 0.1400 0.2425-0.0000 ( 4340 PWs) bands (ev): -19.7451 -19.7451 -19.7351 -19.7351 -6.4466 -6.4466 -6.3913 -6.3913 -4.5788 -4.5788 -4.4575 -4.4575 -4.3271 -4.3271 -4.2948 -4.2948 3.1465 3.1465 5.6457 5.6457 5.6523 5.6523 6.1411 6.1411 6.1594 6.1594 6.5036 6.5036 6.7215 6.7215 6.8150 6.8150 6.9776 6.9776 7.0067 7.0067 7.2920 7.2920 7.3479 7.3479 7.4029 7.4029 7.4898 7.4898 7.5536 7.5536 8.0685 8.0685 8.2237 8.2237 8.8113 8.8113 9.7929 9.7929 9.9228 9.9228 9.9606 9.9606 10.0725 10.0725 k = 0.1333 0.2309-0.0000 ( 4334 PWs) bands (ev): -19.7475 -19.7475 -19.7372 -19.7372 -6.4416 -6.4416 -6.3838 -6.3838 -4.5748 -4.5748 -4.4463 -4.4463 -4.3146 -4.3146 -4.2854 -4.2854 3.0864 3.0864 5.6792 5.6792 5.6855 5.6855 6.1550 6.1550 6.1767 6.1767 6.4775 6.4775 6.7304 6.7304 6.8114 6.8114 6.9581 6.9581 6.9833 6.9833 7.2688 7.2688 7.3409 7.3409 7.3886 7.3886 7.4857 7.4857 7.5490 7.5490 8.0453 8.0453 8.2280 8.2280 8.7512 8.7512 9.8034 9.8034 9.9607 9.9607 9.9667 9.9667 10.1210 10.1210 k = 0.1267 0.2194-0.0000 ( 4334 PWs) bands (ev): -19.7498 -19.7498 -19.7393 -19.7393 -6.4367 -6.4367 -6.3764 -6.3764 -4.5709 -4.5709 -4.4355 -4.4355 -4.3018 -4.3018 -4.2757 -4.2757 3.0286 3.0286 5.7126 5.7126 5.7189 5.7189 6.1687 6.1687 6.1951 6.1951 6.4514 6.4514 6.7373 6.7373 6.8052 6.8052 6.9394 6.9394 6.9589 6.9589 7.2455 7.2455 7.3269 7.3269 7.3677 7.3677 7.4930 7.4930 7.5488 7.5488 8.0234 8.0234 8.2323 8.2323 8.6943 8.6943 9.7959 9.7959 9.9882 9.9882 10.0027 10.0027 10.1697 10.1697 k = 0.1200 0.2078-0.0000 ( 4330 PWs) bands (ev): -19.7521 -19.7521 -19.7413 -19.7413 -6.4320 -6.4320 -6.3692 -6.3692 -4.5672 -4.5672 -4.4252 -4.4252 -4.2889 -4.2889 -4.2657 -4.2657 2.9731 2.9731 5.7461 5.7461 5.7523 5.7523 6.1820 6.1820 6.2145 6.2145 6.4266 6.4266 6.7410 6.7410 6.7969 6.7969 6.9221 6.9221 6.9337 6.9337 7.2230 7.2230 7.3074 7.3074 7.3424 7.3424 7.5075 7.5075 7.5525 7.5525 8.0027 8.0027 8.2366 8.2366 8.6410 8.6410 9.7773 9.7773 10.0260 10.0260 10.0399 10.0399 10.2194 10.2194 k = 0.1133 0.1963-0.0000 ( 4326 PWs) bands (ev): -19.7544 -19.7544 -19.7433 -19.7433 -6.4274 -6.4274 -6.3622 -6.3622 -4.5636 -4.5636 -4.4155 -4.4155 -4.2760 -4.2760 -4.2554 -4.2554 2.9200 2.9200 5.7795 5.7795 5.7857 5.7857 6.1937 6.1937 6.2347 6.2347 6.4042 6.4042 6.7400 6.7400 6.7871 6.7871 6.9063 6.9063 6.9088 6.9088 7.2012 7.2012 7.2843 7.2843 7.3146 7.3146 7.5238 7.5238 7.5610 7.5610 7.9834 7.9834 8.2406 8.2406 8.5914 8.5914 9.7540 9.7540 10.0671 10.0671 10.0783 10.0783 10.2706 10.2706 k = 0.1067 0.1848-0.0000 ( 4322 PWs) bands (ev): -19.7565 -19.7565 -19.7452 -19.7452 -6.4230 -6.4230 -6.3554 -6.3554 -4.5601 -4.5601 -4.4066 -4.4066 -4.2630 -4.2630 -4.2448 -4.2448 2.8695 2.8695 5.8129 5.8129 5.8192 5.8192 6.2022 6.2022 6.2554 6.2554 6.3862 6.3862 6.7332 6.7332 6.7759 6.7759 6.8807 6.8807 6.8967 6.8967 7.1804 7.1804 7.2590 7.2590 7.2855 7.2855 7.5368 7.5368 7.5761 7.5761 7.9656 7.9656 8.2444 8.2444 8.5460 8.5460 9.7293 9.7293 10.0994 10.0994 10.1259 10.1259 10.3239 10.3239 k = 0.1000 0.1732-0.0000 ( 4310 PWs) bands (ev): -19.7586 -19.7586 -19.7471 -19.7471 -6.4189 -6.4189 -6.3489 -6.3489 -4.5569 -4.5569 -4.3983 -4.3983 -4.2502 -4.2502 -4.2339 -4.2339 2.8216 2.8216 5.8462 5.8462 5.8526 5.8526 6.2053 6.2053 6.2766 6.2766 6.3751 6.3751 6.7213 6.7213 6.7624 6.7624 6.8534 6.8534 6.8900 6.8900 7.1604 7.1604 7.2326 7.2326 7.2559 7.2559 7.5452 7.5452 7.5975 7.5975 7.9494 7.9494 8.2479 8.2479 8.5047 8.5047 9.7045 9.7045 10.1255 10.1255 10.1784 10.1784 10.3793 10.3793 k = 0.0933 0.1617-0.0000 ( 4301 PWs) bands (ev): -19.7607 -19.7607 -19.7489 -19.7489 -6.4149 -6.4149 -6.3428 -6.3428 -4.5538 -4.5538 -4.3907 -4.3907 -4.2376 -4.2376 -4.2229 -4.2229 2.7764 2.7764 5.8793 5.8793 5.8860 5.8860 6.2013 6.2013 6.2982 6.2982 6.3729 6.3729 6.7056 6.7056 6.7461 6.7461 6.8255 6.8255 6.8872 6.8872 7.1407 7.1407 7.2058 7.2058 7.2261 7.2261 7.5509 7.5509 7.6217 7.6217 7.9347 7.9347 8.2509 8.2509 8.4678 8.4678 9.6803 9.6803 10.1469 10.1469 10.2332 10.2332 10.4365 10.4365 k = 0.0867 0.1501-0.0000 ( 4299 PWs) bands (ev): -19.7626 -19.7626 -19.7506 -19.7506 -6.4112 -6.4112 -6.3369 -6.3369 -4.5510 -4.5510 -4.3838 -4.3838 -4.2253 -4.2253 -4.2119 -4.2119 2.7339 2.7339 5.9122 5.9122 5.9191 5.9191 6.1903 6.1903 6.3199 6.3199 6.3796 6.3796 6.6873 6.6873 6.7269 6.7269 6.7972 6.7972 6.8871 6.8871 7.1207 7.1207 7.1792 7.1792 7.1969 7.1969 7.5550 7.5550 7.6467 7.6467 7.9216 7.9216 8.2533 8.2533 8.4354 8.4354 9.6572 9.6572 10.1642 10.1642 10.2893 10.2893 10.4950 10.4950 k = 0.0800 0.1386-0.0000 ( 4301 PWs) bands (ev): -19.7644 -19.7644 -19.7522 -19.7522 -6.4078 -6.4078 -6.3314 -6.3314 -4.5483 -4.5483 -4.3777 -4.3777 -4.2134 -4.2134 -4.2009 -4.2009 2.6943 2.6943 5.9448 5.9448 5.9521 5.9521 6.1743 6.1743 6.3416 6.3416 6.3932 6.3932 6.6676 6.6676 6.7057 6.7057 6.7688 6.7688 6.8886 6.8886 7.0995 7.0995 7.1528 7.1528 7.1699 7.1699 7.5581 7.5581 7.6713 7.6713 7.9101 7.9101 8.2550 8.2550 8.4076 8.4076 9.6354 9.6354 10.1778 10.1778 10.3459 10.3459 10.5542 10.5542 k = 0.0733 0.1270-0.0000 ( 4317 PWs) bands (ev): -19.7661 -19.7661 -19.7538 -19.7538 -6.4045 -6.4045 -6.3262 -6.3262 -4.5459 -4.5459 -4.3722 -4.3722 -4.2020 -4.2020 -4.1901 -4.1901 2.6576 2.6576 5.9770 5.9770 5.9848 5.9848 6.1558 6.1558 6.3630 6.3630 6.4115 6.4115 6.6469 6.6469 6.6834 6.6834 6.7405 6.7405 6.8905 6.8905 7.0761 7.0761 7.1254 7.1254 7.1474 7.1474 7.5601 7.5601 7.6949 7.6949 7.9002 7.9002 8.2558 8.2558 8.3843 8.3843 9.6151 9.6151 10.1880 10.1880 10.4024 10.4024 10.6134 10.6134 k = 0.0667 0.1155-0.0000 ( 4323 PWs) bands (ev): -19.7677 -19.7677 -19.7552 -19.7552 -6.4016 -6.4016 -6.3215 -6.3215 -4.5437 -4.5437 -4.3673 -4.3673 -4.1912 -4.1912 -4.1797 -4.1797 2.6238 2.6238 6.0087 6.0087 6.0174 6.0174 6.1366 6.1366 6.3839 6.3839 6.4326 6.4326 6.6257 6.6257 6.6606 6.6606 6.7126 6.7126 6.8920 6.8920 7.0502 7.0502 7.0969 7.0969 7.1306 7.1306 7.5615 7.5615 7.7171 7.7171 7.8917 7.8917 8.2556 8.2556 8.3657 8.3657 9.5963 9.5963 10.1953 10.1953 10.4580 10.4580 10.6717 10.6717 k = 0.0600 0.1039-0.0000 ( 4321 PWs) bands (ev): -19.7692 -19.7692 -19.7565 -19.7565 -6.3989 -6.3989 -6.3172 -6.3172 -4.5417 -4.5417 -4.3630 -4.3630 -4.1812 -4.1812 -4.1697 -4.1697 2.5931 2.5931 6.0389 6.0389 6.0496 6.0496 6.1189 6.1189 6.4035 6.4035 6.4552 6.4552 6.6048 6.6048 6.6385 6.6385 6.6857 6.6857 6.8928 6.8928 7.0224 7.0224 7.0681 7.0681 7.1182 7.1182 7.5621 7.5621 7.7375 7.7375 7.8846 7.8846 8.2543 8.2543 8.3516 8.3516 9.5792 9.5792 10.2002 10.2002 10.5120 10.5120 10.7281 10.7281 k = 0.0533 0.0924-0.0000 ( 4329 PWs) bands (ev): -19.7705 -19.7705 -19.7577 -19.7577 -6.3965 -6.3965 -6.3132 -6.3132 -4.5399 -4.5399 -4.3593 -4.3593 -4.1719 -4.1719 -4.1604 -4.1604 2.5654 2.5654 6.0634 6.0634 6.0813 6.0813 6.1076 6.1076 6.4207 6.4207 6.4776 6.4776 6.5847 6.5847 6.6181 6.6181 6.6606 6.6606 6.8925 6.8925 6.9932 6.9932 7.0398 7.0398 7.1092 7.1092 7.5621 7.5621 7.7558 7.7558 7.8787 7.8787 8.2520 8.2520 8.3415 8.3415 9.5638 9.5638 10.2031 10.2031 10.5634 10.5634 10.7813 10.7813 k = 0.0467 0.0808-0.0000 ( 4339 PWs) bands (ev): -19.7717 -19.7717 -19.7588 -19.7588 -6.3944 -6.3944 -6.3097 -6.3097 -4.5383 -4.5383 -4.3560 -4.3560 -4.1635 -4.1635 -4.1519 -4.1519 2.5409 2.5409 6.0668 6.0668 6.1119 6.1119 6.1192 6.1192 6.4334 6.4334 6.4959 6.4959 6.5688 6.5688 6.6006 6.6006 6.6386 6.6386 6.8908 6.8908 6.9633 6.9633 7.0127 7.0127 7.1026 7.1026 7.5617 7.5617 7.7719 7.7719 7.8739 7.8739 8.2491 8.2491 8.3348 8.3348 9.5501 9.5501 10.2044 10.2044 10.6112 10.6112 10.8295 10.8295 k = 0.0400 0.0693-0.0000 ( 4339 PWs) bands (ev): -19.7727 -19.7727 -19.7597 -19.7597 -6.3926 -6.3926 -6.3067 -6.3067 -4.5369 -4.5369 -4.3533 -4.3533 -4.1560 -4.1560 -4.1442 -4.1442 2.5196 2.5196 6.0557 6.0557 6.1414 6.1414 6.1473 6.1473 6.4394 6.4394 6.5004 6.5004 6.5661 6.5661 6.5868 6.5868 6.6223 6.6223 6.8872 6.8872 6.9332 6.9332 6.9878 6.9878 7.0979 7.0979 7.5610 7.5610 7.7857 7.7857 7.8701 7.8701 8.2460 8.2460 8.3307 8.3307 9.5382 9.5382 10.2046 10.2046 10.6540 10.6540 10.8666 10.8666 k = 0.0333 0.0577-0.0000 ( 4353 PWs) bands (ev): -19.7736 -19.7736 -19.7605 -19.7605 -6.3910 -6.3910 -6.3041 -6.3041 -4.5357 -4.5357 -4.3510 -4.3510 -4.1496 -4.1496 -4.1375 -4.1375 2.5014 2.5014 6.0433 6.0433 6.1709 6.1709 6.1777 6.1777 6.4363 6.4363 6.4869 6.4869 6.5710 6.5710 6.5846 6.5846 6.6154 6.6154 6.8812 6.8812 6.9030 6.9030 6.9661 6.9661 7.0946 7.0946 7.5601 7.5601 7.7973 7.7973 7.8670 7.8670 8.2433 8.2433 8.3284 8.3284 9.5281 9.5281 10.2040 10.2040 10.6905 10.6905 10.8739 10.8739 k = 0.0267 0.0462-0.0000 ( 4353 PWs) bands (ev): -19.7744 -19.7744 -19.7612 -19.7612 -6.3897 -6.3897 -6.3020 -6.3020 -4.5348 -4.5348 -4.3492 -4.3492 -4.1442 -4.1442 -4.1319 -4.1319 2.4865 2.4865 6.0324 6.0324 6.1998 6.1998 6.2082 6.2082 6.4248 6.4248 6.4658 6.4658 6.5600 6.5600 6.6058 6.6058 6.6189 6.6189 6.8722 6.8722 6.8734 6.8734 6.9490 6.9490 7.0924 7.0924 7.5591 7.5591 7.8067 7.8067 7.8646 7.8646 8.2410 8.2410 8.3272 8.3272 9.5198 9.5198 10.2030 10.2030 10.7190 10.7190 10.8659 10.8659 k = 0.0200 0.0346-0.0000 ( 4355 PWs) bands (ev): -19.7749 -19.7749 -19.7617 -19.7617 -6.3888 -6.3888 -6.3003 -6.3003 -4.5340 -4.5340 -4.3478 -4.3478 -4.1400 -4.1400 -4.1275 -4.1275 2.4749 2.4749 6.0235 6.0235 6.2274 6.2274 6.2382 6.2382 6.4067 6.4067 6.4428 6.4428 6.5494 6.5494 6.6251 6.6251 6.6334 6.6334 6.8448 6.8448 6.8608 6.8608 6.9372 6.9372 7.0911 7.0911 7.5583 7.5583 7.8139 7.8139 7.8627 7.8627 8.2392 8.2392 8.3267 8.3267 9.5133 9.5133 10.2019 10.2019 10.7383 10.7383 10.8612 10.8612 k = 0.0133 0.0231-0.0000 ( 4355 PWs) bands (ev): -19.7754 -19.7754 -19.7621 -19.7621 -6.3880 -6.3880 -6.2991 -6.2991 -4.5335 -4.5335 -4.3468 -4.3468 -4.1369 -4.1369 -4.1243 -4.1243 2.4666 2.4666 6.0171 6.0171 6.2522 6.2522 6.2672 6.2672 6.3848 6.3848 6.4210 6.4210 6.5413 6.5413 6.6368 6.6368 6.6562 6.6562 6.8186 6.8186 6.8488 6.8488 6.9299 6.9299 7.0902 7.0902 7.5576 7.5576 7.8191 7.8191 7.8614 7.8614 8.2380 8.2380 8.3266 8.3266 9.5087 9.5087 10.2010 10.2010 10.7489 10.7489 10.8611 10.8611 k = 0.0067 0.0115-0.0000 ( 4353 PWs) bands (ev): -19.7756 -19.7756 -19.7623 -19.7623 -6.3876 -6.3876 -6.2984 -6.2984 -4.5332 -4.5332 -4.3462 -4.3462 -4.1351 -4.1351 -4.1223 -4.1223 2.4616 2.4616 6.0131 6.0131 6.2711 6.2711 6.2939 6.2939 6.3619 6.3619 6.4037 6.4037 6.5363 6.5363 6.6453 6.6453 6.6755 6.6755 6.7979 6.7979 6.8397 6.8397 6.9262 6.9262 7.0898 7.0898 7.5572 7.5572 7.8222 7.8222 7.8606 7.8606 8.2373 8.2373 8.3266 8.3266 9.5059 9.5059 10.2003 10.2003 10.7534 10.7534 10.8631 10.8631 k = 0.0000 0.0000 0.0000 ( 4349 PWs) bands (ev): -19.7757 -19.7757 -19.7624 -19.7624 -6.3875 -6.3875 -6.2982 -6.2982 -4.5331 -4.5331 -4.3460 -4.3460 -4.1345 -4.1345 -4.1217 -4.1217 2.4600 2.4600 6.0118 6.0118 6.2787 6.2787 6.3093 6.3093 6.3477 6.3477 6.3968 6.3968 6.5346 6.5346 6.6485 6.6485 6.6837 6.6837 6.7892 6.7892 6.8363 6.8363 6.9250 6.9250 7.0897 7.0897 7.5571 7.5571 7.8232 7.8232 7.8603 7.8603 8.2371 8.2371 8.3266 8.3266 9.5050 9.5050 10.2001 10.2001 10.7545 10.7545 10.8642 10.8642 k = 0.0000 0.0000 0.0000 ( 4349 PWs) bands (ev): -19.7757 -19.7757 -19.7624 -19.7624 -6.3875 -6.3875 -6.2982 -6.2982 -4.5331 -4.5331 -4.3460 -4.3460 -4.1345 -4.1345 -4.1217 -4.1217 2.4600 2.4600 6.0118 6.0118 6.2787 6.2787 6.3093 6.3093 6.3477 6.3477 6.3968 6.3968 6.5346 6.5346 6.6485 6.6485 6.6837 6.6837 6.7892 6.7892 6.8363 6.8363 6.9250 6.9250 7.0897 7.0897 7.5571 7.5571 7.8232 7.8232 7.8603 7.8603 8.2371 8.2371 8.3266 8.3266 9.5050 9.5050 10.2001 10.2001 10.7545 10.7545 10.8642 10.8642 k = 0.0000 0.0000 0.0128 ( 4349 PWs) bands (ev): -19.7757 -19.7757 -19.7624 -19.7624 -6.3873 -6.3873 -6.2983 -6.2983 -4.5328 -4.5328 -4.3464 -4.3464 -4.1345 -4.1345 -4.1217 -4.1217 2.4605 2.4605 6.0121 6.0121 6.2787 6.2787 6.3093 6.3093 6.3477 6.3477 6.3968 6.3968 6.5343 6.5343 6.6484 6.6484 6.6838 6.6838 6.7892 6.7892 6.8363 6.8363 6.9250 6.9250 7.0897 7.0897 7.5569 7.5569 7.7717 7.7717 7.9109 7.9109 8.2375 8.2375 8.3266 8.3266 9.5045 9.5045 10.2028 10.2028 10.7545 10.7545 10.8642 10.8642 k = 0.0000 0.0000 0.0255 ( 4325 PWs) bands (ev): -19.7756 -19.7756 -19.7624 -19.7624 -6.3869 -6.3869 -6.2988 -6.2988 -4.5319 -4.5319 -4.3476 -4.3476 -4.1345 -4.1345 -4.1217 -4.1217 2.4622 2.4622 6.0129 6.0129 6.2787 6.2787 6.3095 6.3095 6.3478 6.3478 6.3970 6.3970 6.5335 6.5335 6.6480 6.6480 6.6839 6.6839 6.7894 6.7894 6.8364 6.8364 6.9251 6.9251 7.0897 7.0897 7.5562 7.5562 7.7054 7.7054 7.9743 7.9743 8.2386 8.2386 8.3266 8.3266 9.5033 9.5033 10.2106 10.2106 10.7545 10.7545 10.8641 10.8641 k = 0.0000 0.0000 0.0383 ( 4325 PWs) bands (ev): -19.7755 -19.7755 -19.7625 -19.7625 -6.3861 -6.3861 -6.2995 -6.2995 -4.5303 -4.5303 -4.3494 -4.3494 -4.1346 -4.1346 -4.1216 -4.1216 2.4649 2.4649 6.0144 6.0144 6.2786 6.2786 6.3095 6.3095 6.3477 6.3477 6.3971 6.3971 6.5319 6.5319 6.6473 6.6473 6.6839 6.6839 6.7894 6.7894 6.8365 6.8365 6.9251 6.9251 7.0897 7.0897 7.5550 7.5550 7.6391 7.6391 8.0351 8.0351 8.2408 8.2408 8.3266 8.3266 9.5017 9.5017 10.2232 10.2232 10.7546 10.7546 10.8639 10.8639 k = 0.0000 0.0000 0.0511 ( 4319 PWs) bands (ev): -19.7754 -19.7754 -19.7626 -19.7626 -6.3850 -6.3850 -6.3005 -6.3005 -4.5282 -4.5282 -4.3520 -4.3520 -4.1346 -4.1346 -4.1215 -4.1215 2.4686 2.4686 6.0164 6.0164 6.2784 6.2784 6.3097 6.3097 6.3476 6.3476 6.3972 6.3972 6.5297 6.5297 6.6463 6.6463 6.6840 6.6840 6.7895 6.7895 6.8365 6.8365 6.9252 6.9252 7.0897 7.0897 7.5534 7.5534 7.5744 7.5744 8.0912 8.0912 8.2450 8.2450 8.3266 8.3266 9.5003 9.5003 10.2399 10.2399 10.7547 10.7547 10.8639 10.8639 k = 0.0000 0.0000 0.0639 ( 4307 PWs) bands (ev): -19.7753 -19.7753 -19.7628 -19.7628 -6.3836 -6.3836 -6.3018 -6.3018 -4.5255 -4.5255 -4.3553 -4.3553 -4.1347 -4.1347 -4.1214 -4.1214 2.4732 2.4732 6.0190 6.0190 6.2783 6.2783 6.3098 6.3098 6.3475 6.3475 6.3974 6.3974 6.5265 6.5265 6.6450 6.6450 6.6840 6.6840 6.7895 6.7895 6.8366 6.8366 6.9252 6.9252 7.0898 7.0898 7.5121 7.5121 7.5513 7.5513 8.1395 8.1395 8.2533 8.2533 8.3267 8.3267 9.4998 9.4998 10.2600 10.2600 10.7550 10.7550 10.8639 10.8639 k = 0.0000 0.0000 0.0766 ( 4325 PWs) bands (ev): -19.7751 -19.7751 -19.7629 -19.7629 -6.3820 -6.3820 -6.3033 -6.3033 -4.5223 -4.5223 -4.3593 -4.3593 -4.1348 -4.1348 -4.1213 -4.1213 2.4785 2.4785 6.0222 6.0222 6.2779 6.2779 6.3098 6.3098 6.3473 6.3473 6.3974 6.3974 6.5222 6.5222 6.6433 6.6433 6.6840 6.6840 6.7895 6.7895 6.8366 6.8366 6.9253 6.9253 7.0898 7.0898 7.4529 7.4529 7.5488 7.5488 8.1755 8.1755 8.2693 8.2693 8.3267 8.3267 9.5007 9.5007 10.2825 10.2825 10.7556 10.7556 10.8642 10.8642 k = 0.0000 0.0000 0.0894 ( 4326 PWs) bands (ev): -19.7749 -19.7749 -19.7631 -19.7631 -6.3801 -6.3801 -6.3050 -6.3050 -4.5184 -4.5184 -4.3638 -4.3638 -4.1349 -4.1349 -4.1212 -4.1212 2.4844 2.4844 6.0259 6.0259 6.2777 6.2777 6.3100 6.3100 6.3471 6.3471 6.3977 6.3977 6.5167 6.5167 6.6416 6.6416 6.6841 6.6841 6.7895 6.7895 6.8367 6.8367 6.9254 6.9254 7.0898 7.0898 7.3977 7.3977 7.5460 7.5460 8.1964 8.1964 8.2953 8.2953 8.3267 8.3267 9.5035 9.5035 10.3067 10.3067 10.7566 10.7566 10.8648 10.8648 k = 0.0000 0.0000 0.1022 ( 4344 PWs) bands (ev): -19.7747 -19.7747 -19.7633 -19.7633 -6.3780 -6.3780 -6.3070 -6.3070 -4.5141 -4.5141 -4.3690 -4.3690 -4.1351 -4.1351 -4.1211 -4.1211 2.4907 2.4907 6.0301 6.0301 6.2774 6.2774 6.3101 6.3101 6.3469 6.3469 6.3978 6.3978 6.5097 6.5097 6.6397 6.6397 6.6841 6.6841 6.7895 6.7895 6.8367 6.8367 6.9253 6.9253 7.0896 7.0896 7.3471 7.3471 7.5430 7.5430 8.2067 8.2067 8.3266 8.3266 8.3267 8.3267 9.5086 9.5086 10.3317 10.3317 10.7580 10.7580 10.8659 10.8659 k = 0.0000 0.0000 0.1149 ( 4344 PWs) bands (ev): -19.7745 -19.7745 -19.7636 -19.7636 -6.3756 -6.3756 -6.3092 -6.3092 -4.5093 -4.5093 -4.3746 -4.3746 -4.1352 -4.1352 -4.1210 -4.1210 2.4972 2.4972 6.0349 6.0349 6.2772 6.2772 6.3103 6.3103 6.3468 6.3468 6.3980 6.3980 6.5013 6.5013 6.6378 6.6378 6.6841 6.6841 6.7895 6.7895 6.8367 6.8367 6.9254 6.9254 7.0897 7.0897 7.3014 7.3014 7.5398 7.5398 8.2119 8.2119 8.3267 8.3267 8.3574 8.3574 9.5159 9.5159 10.3567 10.3567 10.7600 10.7600 10.8675 10.8675 k = 0.0000 0.0000 0.1277 ( 4338 PWs) bands (ev): -19.7743 -19.7743 -19.7638 -19.7638 -6.3732 -6.3732 -6.3116 -6.3116 -4.5041 -4.5041 -4.3807 -4.3807 -4.1353 -4.1353 -4.1209 -4.1209 2.5038 2.5038 6.0402 6.0402 6.2769 6.2769 6.3104 6.3104 6.3467 6.3467 6.3982 6.3982 6.4914 6.4914 6.6360 6.6360 6.6842 6.6842 6.7896 6.7896 6.8368 6.8368 6.9255 6.9255 7.0897 7.0897 7.2613 7.2613 7.5366 7.5366 8.2148 8.2148 8.3267 8.3267 8.3849 8.3849 9.5251 9.5251 10.3810 10.3810 10.7627 10.7627 10.8699 10.8699 k = 0.0000 0.0000 0.1405 ( 4344 PWs) bands (ev): -19.7740 -19.7740 -19.7640 -19.7640 -6.3706 -6.3706 -6.3140 -6.3140 -4.4985 -4.4985 -4.3871 -4.3871 -4.1354 -4.1354 -4.1208 -4.1208 2.5102 2.5102 6.0457 6.0457 6.2767 6.2767 6.3106 6.3106 6.3466 6.3466 6.3984 6.3984 6.4803 6.4803 6.6343 6.6343 6.6842 6.6842 6.7896 6.7896 6.8368 6.8368 6.9255 6.9255 7.0897 7.0897 7.2264 7.2264 7.5334 7.5334 8.2166 8.2166 8.3267 8.3267 8.4083 8.4083 9.5359 9.5359 10.4041 10.4041 10.7661 10.7661 10.8730 10.8730 k = 0.0000 0.0000 0.1533 ( 4344 PWs) bands (ev): -19.7738 -19.7738 -19.7643 -19.7643 -6.3679 -6.3679 -6.3166 -6.3166 -4.4926 -4.4926 -4.3937 -4.3937 -4.1355 -4.1355 -4.1207 -4.1207 2.5163 2.5163 6.0515 6.0515 6.2765 6.2765 6.3107 6.3107 6.3465 6.3465 6.3986 6.3986 6.4682 6.4682 6.6328 6.6328 6.6843 6.6843 6.7896 6.7896 6.8369 6.8369 6.9256 6.9256 7.0897 7.0897 7.1971 7.1971 7.5303 7.5303 8.2177 8.2177 8.3267 8.3267 8.4275 8.4275 9.5475 9.5475 10.4252 10.4252 10.7703 10.7703 10.8769 10.8769 k = 0.0000 0.0000 0.1660 ( 4332 PWs) bands (ev): -19.7736 -19.7736 -19.7645 -19.7645 -6.3652 -6.3652 -6.3191 -6.3191 -4.4864 -4.4864 -4.4006 -4.4006 -4.1356 -4.1356 -4.1206 -4.1206 2.5218 2.5218 6.0572 6.0572 6.2763 6.2763 6.3109 6.3109 6.3466 6.3466 6.3987 6.3987 6.4560 6.4560 6.6316 6.6316 6.6844 6.6844 6.7897 6.7897 6.8370 6.8370 6.9257 6.9257 7.0897 7.0897 7.1731 7.1731 7.5275 7.5275 8.2185 8.2185 8.3267 8.3267 8.4427 8.4427 9.5591 9.5591 10.4440 10.4440 10.7755 10.7755 10.8742 10.8742 k = 0.0000 0.0000 0.1788 ( 4344 PWs) bands (ev): -19.7734 -19.7734 -19.7647 -19.7647 -6.3626 -6.3626 -6.3216 -6.3216 -4.4802 -4.4802 -4.4073 -4.4073 -4.1357 -4.1357 -4.1205 -4.1205 2.5265 2.5265 6.0626 6.0626 6.2761 6.2761 6.3110 6.3110 6.3467 6.3467 6.3989 6.3989 6.4442 6.4442 6.6306 6.6306 6.6844 6.6844 6.7897 6.7897 6.8370 6.8370 6.9258 6.9258 7.0897 7.0897 7.1540 7.1540 7.5249 7.5249 8.2190 8.2190 8.3267 8.3267 8.4543 8.4543 9.5700 9.5700 10.4600 10.4600 10.7815 10.7815 10.8614 10.8614 k = 0.0000 0.0000 0.1916 ( 4356 PWs) bands (ev): -19.7732 -19.7732 -19.7649 -19.7649 -6.3603 -6.3603 -6.3239 -6.3239 -4.4742 -4.4742 -4.4139 -4.4139 -4.1357 -4.1357 -4.1204 -4.1204 2.5304 2.5304 6.0673 6.0673 6.2759 6.2759 6.3111 6.3111 6.3468 6.3468 6.3989 6.3989 6.4336 6.4336 6.6298 6.6298 6.6844 6.6844 6.7897 6.7897 6.8371 6.8371 6.9258 6.9258 7.0897 7.0897 7.1396 7.1396 7.5229 7.5229 8.2192 8.2192 8.3265 8.3265 8.4628 8.4628 9.5794 9.5794 10.4728 10.4728 10.7885 10.7885 10.8490 10.8490 k = 0.0000 0.0000 0.2043 ( 4344 PWs) bands (ev): -19.7731 -19.7731 -19.7650 -19.7650 -6.3584 -6.3584 -6.3257 -6.3257 -4.4687 -4.4687 -4.4197 -4.4197 -4.1358 -4.1358 -4.1204 -4.1204 2.5333 2.5333 6.0711 6.0711 6.2759 6.2759 6.3111 6.3111 6.3470 6.3470 6.3989 6.3989 6.4254 6.4254 6.6293 6.6293 6.6845 6.6845 6.7897 6.7897 6.8371 6.8371 6.9259 6.9259 7.0898 7.0898 7.1297 7.1297 7.5213 7.5213 8.2195 8.2195 8.3267 8.3267 8.4685 8.4685 9.5866 9.5866 10.4821 10.4821 10.7964 10.7964 10.8371 10.8371 k = 0.0000 0.0000 0.2171 ( 4350 PWs) bands (ev): -19.7730 -19.7730 -19.7651 -19.7651 -6.3571 -6.3571 -6.3270 -6.3270 -4.4647 -4.4647 -4.4240 -4.4240 -4.1358 -4.1358 -4.1203 -4.1203 2.5350 2.5350 6.0735 6.0735 6.2758 6.2758 6.3112 6.3112 6.3471 6.3471 6.3989 6.3989 6.4200 6.4200 6.6290 6.6290 6.6845 6.6845 6.7897 6.7897 6.8372 6.8372 6.9259 6.9259 7.0898 7.0898 7.1239 7.1239 7.5204 7.5204 8.2196 8.2196 8.3266 8.3266 8.4718 8.4718 9.5911 9.5911 10.4878 10.4878 10.8052 10.8052 10.8259 10.8259 k = 0.0000 0.0000 0.2299 ( 4356 PWs) bands (ev): -19.7730 -19.7730 -19.7651 -19.7651 -6.3566 -6.3566 -6.3274 -6.3274 -4.4631 -4.4631 -4.4256 -4.4256 -4.1358 -4.1358 -4.1203 -4.1203 2.5356 2.5356 6.0744 6.0744 6.2758 6.2758 6.3112 6.3112 6.3472 6.3472 6.3989 6.3989 6.4182 6.4182 6.6288 6.6288 6.6844 6.6844 6.7897 6.7897 6.8371 6.8371 6.9260 6.9260 7.0899 7.0899 7.1218 7.1218 7.5199 7.5199 8.2197 8.2197 8.3267 8.3267 8.4728 8.4728 9.5926 9.5926 10.4897 10.4897 10.8133 10.8133 10.8170 10.8170 k = 0.0000 0.0000 0.2299 ( 4356 PWs) bands (ev): -19.7730 -19.7730 -19.7651 -19.7651 -6.3566 -6.3566 -6.3274 -6.3274 -4.4631 -4.4631 -4.4256 -4.4256 -4.1358 -4.1358 -4.1203 -4.1203 2.5356 2.5356 6.0744 6.0744 6.2758 6.2758 6.3112 6.3112 6.3472 6.3472 6.3989 6.3989 6.4182 6.4182 6.6288 6.6288 6.6844 6.6844 6.7897 6.7897 6.8371 6.8371 6.9260 6.9260 7.0899 7.0899 7.1218 7.1218 7.5199 7.5199 8.2197 8.2197 8.3267 8.3267 8.4728 8.4728 9.5926 9.5926 10.4897 10.4897 10.8133 10.8133 10.8170 10.8170 k = 0.0114 0.0066 0.2299 ( 4362 PWs) bands (ev): -19.7729 -19.7729 -19.7650 -19.7650 -6.3568 -6.3568 -6.3276 -6.3276 -4.4632 -4.4632 -4.4258 -4.4258 -4.1364 -4.1364 -4.1210 -4.1210 2.5371 2.5371 6.0766 6.0766 6.2686 6.2686 6.2953 6.2953 6.3620 6.3620 6.4054 6.4054 6.4193 6.4193 6.6259 6.6259 6.6764 6.6764 6.7980 6.7980 6.8401 6.8401 6.9270 6.9270 7.0900 7.0900 7.1219 7.1219 7.5203 7.5203 8.2187 8.2187 8.3256 8.3256 8.4738 8.4738 9.5929 9.5929 10.4896 10.4896 10.8128 10.8128 10.8160 10.8160 k = 0.0227 0.0131 0.2299 ( 4368 PWs) bands (ev): -19.7727 -19.7727 -19.7648 -19.7648 -6.3573 -6.3573 -6.3282 -6.3282 -4.4637 -4.4637 -4.4262 -4.4262 -4.1382 -4.1382 -4.1228 -4.1228 2.5416 2.5416 6.0832 6.0832 6.2504 6.2504 6.2688 6.2688 6.3855 6.3855 6.4192 6.4192 6.4254 6.4254 6.6178 6.6178 6.6574 6.6574 6.8183 6.8183 6.8480 6.8480 6.9302 6.9302 7.0903 7.0903 7.1220 7.1220 7.5212 7.5212 8.2159 8.2159 8.3226 8.3226 8.4767 8.4767 9.5938 9.5938 10.4891 10.4891 10.8109 10.8109 10.8125 10.8125 k = 0.0341 0.0197 0.2299 ( 4344 PWs) bands (ev): -19.7723 -19.7723 -19.7644 -19.7644 -6.3582 -6.3582 -6.3292 -6.3292 -4.4644 -4.4644 -4.4269 -4.4269 -4.1411 -4.1411 -4.1258 -4.1258 2.5490 2.5490 6.0942 6.0942 6.2249 6.2249 6.2417 6.2417 6.4076 6.4076 6.4261 6.4261 6.4459 6.4459 6.6068 6.6068 6.6342 6.6342 6.8440 6.8440 6.8588 6.8588 6.9365 6.9365 7.0912 7.0912 7.1224 7.1224 7.5229 7.5229 8.2112 8.2112 8.3181 8.3181 8.4817 8.4817 9.5953 9.5953 10.4876 10.4876 10.8033 10.8033 10.8075 10.8075 k = 0.0455 0.0262 0.2299 ( 4332 PWs) bands (ev): -19.7717 -19.7717 -19.7639 -19.7639 -6.3595 -6.3595 -6.3305 -6.3305 -4.4655 -4.4655 -4.4279 -4.4279 -4.1452 -4.1452 -4.1300 -4.1300 2.5594 2.5594 6.1095 6.1095 6.1941 6.1941 6.2164 6.2164 6.4247 6.4247 6.4339 6.4339 6.4697 6.4697 6.5952 6.5952 6.6109 6.6109 6.8693 6.8693 6.8725 6.8725 6.9464 6.9464 7.0926 7.0926 7.1229 7.1229 7.5250 7.5250 8.2042 8.2042 8.3124 8.3124 8.4887 8.4887 9.5974 9.5974 10.4841 10.4841 10.7882 10.7882 10.7998 10.7998 k = 0.0568 0.0328 0.2299 ( 4336 PWs) bands (ev): -19.7710 -19.7710 -19.7633 -19.7633 -6.3611 -6.3611 -6.3323 -6.3323 -4.4668 -4.4668 -4.4291 -4.4291 -4.1504 -4.1504 -4.1354 -4.1354 2.5728 2.5728 6.1288 6.1288 6.1598 6.1598 6.1925 6.1925 6.4355 6.4355 6.4433 6.4433 6.4913 6.4913 6.5813 6.5813 6.5961 6.5961 6.8787 6.8787 6.9013 6.9013 6.9605 6.9605 7.0947 7.0947 7.1237 7.1237 7.5275 7.5275 8.1944 8.1944 8.3059 8.3059 8.4978 8.4978 9.6000 9.6000 10.4771 10.4771 10.7656 10.7656 10.7893 10.7893 k = 0.0682 0.0394 0.2299 ( 4338 PWs) bands (ev): -19.7702 -19.7702 -19.7625 -19.7625 -6.3630 -6.3630 -6.3344 -6.3344 -4.4685 -4.4685 -4.4307 -4.4307 -4.1566 -4.1566 -4.1418 -4.1418 2.5891 2.5891 6.1233 6.1233 6.1520 6.1520 6.1701 6.1701 6.4415 6.4415 6.4507 6.4507 6.5038 6.5038 6.5647 6.5647 6.5995 6.5995 6.8854 6.8854 6.9308 6.9308 6.9785 6.9785 7.0978 7.0978 7.1251 7.1251 7.5304 7.5304 8.1818 8.1818 8.2991 8.2991 8.5091 8.5091 9.6030 9.6030 10.4648 10.4648 10.7360 10.7360 10.7786 10.7786 k = 0.0795 0.0459 0.2299 ( 4334 PWs) bands (ev): -19.7692 -19.7692 -19.7615 -19.7615 -6.3653 -6.3653 -6.3368 -6.3368 -4.4705 -4.4705 -4.4326 -4.4326 -4.1637 -4.1637 -4.1491 -4.1491 2.6082 2.6082 6.0854 6.0854 6.1475 6.1475 6.1801 6.1801 6.4386 6.4386 6.4589 6.4589 6.5005 6.5005 6.5570 6.5570 6.6180 6.6180 6.8898 6.8898 6.9601 6.9601 6.9993 6.9993 7.1021 7.1021 7.1275 7.1275 7.5337 7.5337 8.1661 8.1661 8.2925 8.2925 8.5227 8.5227 9.6064 9.6064 10.4454 10.4454 10.7002 10.7002 10.7710 10.7710 k = 0.0909 0.0525 0.2299 ( 4328 PWs) bands (ev): -19.7681 -19.7681 -19.7605 -19.7605 -6.3679 -6.3679 -6.3397 -6.3397 -4.4729 -4.4729 -4.4348 -4.4348 -4.1717 -4.1717 -4.1574 -4.1574 2.6303 2.6303 6.0462 6.0462 6.1271 6.1271 6.2106 6.2106 6.4275 6.4275 6.4651 6.4651 6.4885 6.4885 6.5586 6.5586 6.6457 6.6457 6.8926 6.8926 6.9885 6.9885 7.0217 7.0217 7.1081 7.1081 7.1318 7.1318 7.5370 7.5370 8.1475 8.1475 8.2863 8.2863 8.5387 8.5387 9.6101 9.6101 10.4181 10.4181 10.6595 10.6595 10.7688 10.7688 k = 0.1023 0.0590 0.2299 ( 4328 PWs) bands (ev): -19.7668 -19.7668 -19.7593 -19.7593 -6.3709 -6.3709 -6.3429 -6.3429 -4.4755 -4.4755 -4.4374 -4.4374 -4.1806 -4.1806 -4.1664 -4.1664 2.6552 2.6552 6.0057 6.0057 6.1077 6.1077 6.2444 6.2444 6.4116 6.4116 6.4543 6.4543 6.4899 6.4899 6.5635 6.5635 6.6776 6.6776 6.8944 6.8944 7.0149 7.0149 7.0444 7.0444 7.1160 7.1160 7.1392 7.1392 7.5403 7.5403 8.1263 8.1263 8.2805 8.2805 8.5571 8.5571 9.6140 9.6140 10.3832 10.3832 10.6149 10.6149 10.7731 10.7731 k = 0.1136 0.0656 0.2299 ( 4320 PWs) bands (ev): -19.7654 -19.7654 -19.7580 -19.7580 -6.3742 -6.3742 -6.3465 -6.3465 -4.4786 -4.4786 -4.4404 -4.4404 -4.1901 -4.1901 -4.1761 -4.1761 2.6829 2.6829 5.9645 5.9645 6.0894 6.0894 6.2807 6.2807 6.3933 6.3933 6.4336 6.4336 6.5007 6.5007 6.5688 6.5688 6.7109 6.7109 6.8962 6.8962 7.0380 7.0380 7.0663 7.0663 7.1266 7.1266 7.1514 7.1514 7.5436 7.5436 8.1030 8.1030 8.2750 8.2750 8.5780 8.5780 9.6181 9.6181 10.3418 10.3418 10.5674 10.5674 10.7834 10.7834 k = 0.1250 0.0722 0.2299 ( 4318 PWs) bands (ev): -19.7639 -19.7639 -19.7565 -19.7565 -6.3778 -6.3778 -6.3504 -6.3504 -4.4820 -4.4820 -4.4437 -4.4437 -4.2002 -4.2002 -4.1863 -4.1863 2.7134 2.7134 5.9225 5.9225 6.0723 6.0723 6.3178 6.3178 6.3747 6.3747 6.4124 6.4124 6.5126 6.5126 6.5733 6.5733 6.7433 6.7433 6.8989 6.8989 7.0565 7.0565 7.0855 7.0855 7.1414 7.1414 7.1695 7.1695 7.5465 7.5465 8.0780 8.0780 8.2698 8.2698 8.6012 8.6012 9.6221 9.6221 10.2958 10.2958 10.5180 10.5180 10.7991 10.7991 k = 0.1364 0.0787 0.2299 ( 4314 PWs) bands (ev): -19.7623 -19.7623 -19.7550 -19.7550 -6.3817 -6.3817 -6.3547 -6.3547 -4.4858 -4.4858 -4.4475 -4.4475 -4.2109 -4.2109 -4.1970 -4.1970 2.7465 2.7465 5.8798 5.8798 6.0563 6.0563 6.3417 6.3417 6.3657 6.3657 6.3968 6.3968 6.5233 6.5233 6.5773 6.5773 6.7718 6.7718 6.9050 6.9050 7.0695 7.0695 7.1023 7.1023 7.1616 7.1616 7.1933 7.1933 7.5491 7.5491 8.0520 8.0520 8.2649 8.2649 8.6266 8.6266 9.6260 9.6260 10.2468 10.2468 10.4674 10.4674 10.8189 10.8189 k = 0.1477 0.0853 0.2299 ( 4312 PWs) bands (ev): -19.7606 -19.7606 -19.7534 -19.7534 -6.3859 -6.3859 -6.3593 -6.3593 -4.4900 -4.4900 -4.4517 -4.4517 -4.2219 -4.2219 -4.2079 -4.2079 2.7824 2.7824 5.8369 5.8369 6.0415 6.0415 6.3281 6.3281 6.3604 6.3604 6.4171 6.4171 6.5306 6.5306 6.5823 6.5823 6.7928 6.7928 6.9179 6.9179 7.0777 7.0777 7.1184 7.1184 7.1858 7.1858 7.2219 7.2219 7.5512 7.5512 8.0255 8.0255 8.2599 8.2599 8.6541 8.6541 9.6296 9.6296 10.1963 10.1963 10.4164 10.4164 10.8420 10.8420 k = 0.1591 0.0919 0.2299 ( 4320 PWs) bands (ev): -19.7587 -19.7587 -19.7517 -19.7517 -6.3904 -6.3904 -6.3642 -6.3642 -4.4947 -4.4947 -4.4564 -4.4564 -4.2331 -4.2331 -4.2189 -4.2189 2.8209 2.8209 5.7935 5.7935 6.0277 6.0277 6.3086 6.3086 6.3418 6.3418 6.4583 6.4583 6.5320 6.5320 6.5903 6.5903 6.8036 6.8036 6.9399 6.9399 7.0824 7.0824 7.1352 7.1352 7.2122 7.2122 7.2540 7.2540 7.5527 7.5527 7.9993 7.9993 8.2548 8.2548 8.6831 8.6831 9.6327 9.6327 10.1458 10.1458 10.3655 10.3655 10.8673 10.8673 k = 0.1705 0.0984 0.2299 ( 4316 PWs) bands (ev): -19.7568 -19.7568 -19.7499 -19.7499 -6.3952 -6.3952 -6.3694 -6.3694 -4.4999 -4.4999 -4.4616 -4.4616 -4.2446 -4.2446 -4.2299 -4.2299 2.8620 2.8620 5.7503 5.7503 6.0151 6.0151 6.2889 6.2889 6.3227 6.3227 6.5019 6.5019 6.5273 6.5273 6.6015 6.6015 6.8053 6.8053 6.9695 6.9695 7.0856 7.0856 7.1532 7.1532 7.2399 7.2399 7.2889 7.2889 7.5536 7.5536 7.9738 7.9738 8.2497 8.2497 8.7133 8.7133 9.6351 9.6351 10.0966 10.0966 10.3154 10.3154 10.8935 10.8935 k = 0.1818 0.1050 0.2299 ( 4316 PWs) bands (ev): -19.7548 -19.7548 -19.7480 -19.7480 -6.4002 -6.4002 -6.3749 -6.3749 -4.5055 -4.5055 -4.4674 -4.4674 -4.2560 -4.2560 -4.2407 -4.2407 2.9056 2.9056 5.7069 5.7069 6.0036 6.0036 6.2694 6.2694 6.3042 6.3042 6.5143 6.5143 6.5482 6.5482 6.6148 6.6148 6.8010 6.8010 7.0029 7.0029 7.0885 7.0885 7.1724 7.1724 7.2682 7.2682 7.3258 7.3258 7.5540 7.5540 7.9501 7.9501 8.2444 8.2444 8.7439 8.7439 9.6366 9.6366 10.0498 10.0498 10.2667 10.2667 10.9191 10.9191 k = 0.1932 0.1115 0.2299 ( 4308 PWs) bands (ev): -19.7528 -19.7528 -19.7461 -19.7461 -6.4055 -6.4055 -6.3806 -6.3806 -4.5116 -4.5116 -4.4738 -4.4738 -4.2673 -4.2673 -4.2512 -4.2512 2.9516 2.9516 5.6638 5.6638 5.9930 5.9930 6.2503 6.2503 6.2867 6.2867 6.4988 6.4988 6.5911 6.5911 6.6294 6.6294 6.7932 6.7932 7.0357 7.0357 7.0937 7.0937 7.1931 7.1931 7.2969 7.2969 7.3644 7.3644 7.5541 7.5541 7.9286 7.9286 8.2389 8.2389 8.7740 8.7740 9.6368 9.6368 10.0067 10.0067 10.2197 10.2197 10.9418 10.9418 k = 0.2045 0.1181 0.2299 ( 4308 PWs) bands (ev): -19.7506 -19.7506 -19.7441 -19.7441 -6.4109 -6.4109 -6.3866 -6.3866 -4.5182 -4.5182 -4.4808 -4.4808 -4.2783 -4.2783 -4.2612 -4.2612 3.0001 3.0001 5.6211 5.6211 5.9834 5.9834 6.2318 6.2318 6.2704 6.2704 6.4783 6.4783 6.6317 6.6317 6.6449 6.6449 6.7830 6.7830 7.0598 7.0598 7.1083 7.1083 7.2154 7.2154 7.3257 7.3257 7.4045 7.4045 7.5540 7.5540 7.9104 7.9104 8.2333 8.2333 8.8027 8.8027 9.6351 9.6351 9.9686 9.9686 10.1749 10.1749 10.9583 10.9583 k = 0.2159 0.1247 0.2299 ( 4320 PWs) bands (ev): -19.7485 -19.7485 -19.7421 -19.7421 -6.4166 -6.4166 -6.3928 -6.3928 -4.5253 -4.5253 -4.4884 -4.4884 -4.2890 -4.2890 -4.2708 -4.2708 3.0509 3.0509 5.5788 5.5788 5.9747 5.9747 6.2139 6.2139 6.2551 6.2551 6.4538 6.4538 6.6577 6.6577 6.6713 6.6713 6.7718 6.7718 7.0695 7.0695 7.1371 7.1371 7.2390 7.2390 7.3543 7.3543 7.4450 7.4450 7.5548 7.5548 7.8961 7.8961 8.2274 8.2274 8.8286 8.8286 9.6309 9.6309 9.9368 9.9368 10.1328 10.1328 10.9641 10.9641 k = 0.2273 0.1312 0.2299 ( 4316 PWs) bands (ev): -19.7463 -19.7463 -19.7400 -19.7400 -6.4224 -6.4224 -6.3993 -6.3993 -4.5330 -4.5330 -4.4966 -4.4966 -4.2992 -4.2992 -4.2798 -4.2798 3.1041 3.1041 5.5372 5.5372 5.9669 5.9669 6.1967 6.1967 6.2410 6.2410 6.4256 6.4256 6.6729 6.6729 6.7015 6.7015 6.7621 6.7621 7.0721 7.0721 7.1724 7.1724 7.2642 7.2642 7.3822 7.3822 7.4840 7.4840 7.5591 7.5591 7.8867 7.8867 8.2213 8.2213 8.8506 8.8506 9.6234 9.6234 9.9124 9.9124 10.0939 10.0939 10.9549 10.9549 k = 0.2386 0.1378 0.2299 ( 4314 PWs) bands (ev): -19.7440 -19.7440 -19.7379 -19.7379 -6.4283 -6.4283 -6.4058 -6.4058 -4.5410 -4.5410 -4.5054 -4.5054 -4.3088 -4.3088 -4.2882 -4.2882 3.1594 3.1594 5.4963 5.4963 5.9598 5.9598 6.1803 6.1803 6.2279 6.2279 6.3941 6.3941 6.6872 6.6872 6.7167 6.7167 6.7623 6.7623 7.0724 7.0724 7.2090 7.2090 7.2909 7.2909 7.4086 7.4086 7.5144 7.5144 7.5749 7.5749 7.8828 7.8828 8.2150 8.2150 8.8675 8.8675 9.6117 9.6117 9.8956 9.8956 10.0592 10.0592 10.9286 10.9286 k = 0.2500 0.1443 0.2299 ( 4314 PWs) bands (ev): -19.7418 -19.7418 -19.7358 -19.7358 -6.4344 -6.4344 -6.4125 -6.4125 -4.5495 -4.5495 -4.5148 -4.5148 -4.3178 -4.3178 -4.2960 -4.2960 3.2169 3.2169 5.4563 5.4563 5.9534 5.9534 6.1647 6.1647 6.2156 6.2156 6.3597 6.3597 6.6999 6.6999 6.7121 6.7121 6.7770 6.7770 7.0717 7.0717 7.2451 7.2451 7.3188 7.3188 7.4316 7.4316 7.5309 7.5309 7.6095 7.6095 7.8850 7.8850 8.2085 8.2085 8.8786 8.8786 9.5957 9.5957 9.8844 9.8844 10.0308 10.0308 10.8877 10.8877 k = 0.2614 0.1509 0.2299 ( 4316 PWs) bands (ev): -19.7395 -19.7395 -19.7337 -19.7337 -6.4405 -6.4405 -6.4193 -6.4193 -4.5584 -4.5584 -4.5246 -4.5246 -4.3261 -4.3261 -4.3031 -4.3031 3.2765 3.2765 5.4173 5.4173 5.9475 5.9475 6.1496 6.1496 6.2034 6.2034 6.3235 6.3235 6.6951 6.6951 6.7162 6.7162 6.7934 6.7934 7.0705 7.0705 7.2800 7.2800 7.3480 7.3480 7.4484 7.4484 7.5443 7.5443 7.6552 7.6552 7.8935 7.8935 8.2018 8.2018 8.8834 8.8834 9.5754 9.5754 9.8734 9.8734 10.0132 10.0132 10.8377 10.8377 k = 0.2727 0.1575 0.2299 ( 4326 PWs) bands (ev): -19.7373 -19.7373 -19.7317 -19.7317 -6.4466 -6.4466 -6.4262 -6.4262 -4.5675 -4.5675 -4.5349 -4.5349 -4.3336 -4.3336 -4.3096 -4.3096 3.3381 3.3381 5.3794 5.3794 5.9420 5.9420 6.1348 6.1348 6.1902 6.1902 6.2872 6.2872 6.6787 6.6787 6.7283 6.7283 6.8058 6.8058 7.0689 7.0689 7.3129 7.3129 7.3780 7.3780 7.4577 7.4577 7.5628 7.5628 7.7056 7.7056 7.9083 7.9083 8.1950 8.1950 8.8821 8.8821 9.5515 9.5515 9.8551 9.8551 10.0118 10.0118 10.7836 10.7836 k = 0.2841 0.1640 0.2299 ( 4334 PWs) bands (ev): -19.7350 -19.7350 -19.7296 -19.7296 -6.4528 -6.4528 -6.4331 -6.4331 -4.5768 -4.5768 -4.5454 -4.5454 -4.3404 -4.3404 -4.3154 -4.3154 3.4017 3.4017 5.3427 5.3427 5.9367 5.9367 6.1186 6.1186 6.1743 6.1743 6.2547 6.2547 6.6607 6.6607 6.7398 6.7398 6.8134 6.8134 7.0669 7.0669 7.3425 7.3425 7.4083 7.4083 7.4624 7.4624 7.5871 7.5871 7.7587 7.7587 7.9291 7.9291 8.1882 8.1882 8.8751 8.8751 9.5249 9.5249 9.8261 9.8261 10.0271 10.0271 10.7292 10.7292 k = 0.2955 0.1706 0.2299 ( 4334 PWs) bands (ev): -19.7328 -19.7328 -19.7276 -19.7276 -6.4589 -6.4589 -6.4400 -6.4400 -4.5863 -4.5863 -4.5562 -4.5562 -4.3466 -4.3466 -4.3207 -4.3207 3.4671 3.4671 5.3073 5.3073 5.9316 5.9316 6.0974 6.0974 6.1548 6.1548 6.2307 6.2307 6.6417 6.6417 6.7500 6.7500 6.8166 6.8166 7.0647 7.0647 7.3665 7.3665 7.4366 7.4366 7.4697 7.4697 7.6151 7.6151 7.8138 7.8138 7.9553 7.9553 8.1815 8.1815 8.8633 8.8633 9.4961 9.4961 9.7881 9.7881 10.0547 10.0547 10.6750 10.6750 k = 0.3068 0.1771 0.2299 ( 4330 PWs) bands (ev): -19.7307 -19.7307 -19.7256 -19.7256 -6.4650 -6.4650 -6.4469 -6.4469 -4.5957 -4.5957 -4.5670 -4.5670 -4.3521 -4.3521 -4.3255 -4.3255 3.5343 3.5343 5.2734 5.2734 5.9265 5.9265 6.0649 6.0649 6.1373 6.1373 6.2163 6.2163 6.6221 6.6221 6.7578 6.7578 6.8169 6.8169 7.0621 7.0621 7.3809 7.3809 7.4590 7.4590 7.4897 7.4897 7.6447 7.6447 7.8704 7.8704 7.9861 7.9861 8.1752 8.1752 8.8479 8.8479 9.4655 9.4655 9.7432 9.7432 10.0895 10.0895 10.6157 10.6157 k = 0.3182 0.1837 0.2299 ( 4328 PWs) bands (ev): -19.7286 -19.7286 -19.7237 -19.7237 -6.4709 -6.4709 -6.4536 -6.4536 -4.6051 -4.6051 -4.5779 -4.5779 -4.3569 -4.3569 -4.3297 -4.3297 3.6033 3.6033 5.2410 5.2410 5.9211 5.9211 6.0203 6.0203 6.1259 6.1259 6.2084 6.2084 6.6020 6.6020 6.7613 6.7613 6.8168 6.8168 7.0593 7.0593 7.3841 7.3841 7.4800 7.4800 7.5202 7.5202 7.6751 7.6751 7.9275 7.9275 8.0204 8.0204 8.1699 8.1699 8.8299 8.8299 9.4334 9.4334 9.6928 9.6928 10.1277 10.1277 10.5463 10.5463 k = 0.3295 0.1903 0.2299 ( 4336 PWs) bands (ev): -19.7265 -19.7265 -19.7218 -19.7218 -6.4767 -6.4767 -6.4603 -6.4603 -4.6143 -4.6143 -4.5886 -4.5886 -4.3612 -4.3612 -4.3335 -4.3335 3.6738 3.6738 5.2101 5.2101 5.9148 5.9148 5.9683 5.9683 6.1191 6.1191 6.2044 6.2044 6.5815 6.5815 6.7583 6.7583 6.8191 6.8191 7.0561 7.0561 7.3796 7.3796 7.5037 7.5037 7.5543 7.5543 7.7055 7.7055 7.9834 7.9834 8.0571 8.0571 8.1673 8.1673 8.8103 8.8103 9.3997 9.3997 9.6384 9.6384 10.1663 10.1663 10.4707 10.4707 k = 0.3409 0.1968 0.2299 ( 4338 PWs) bands (ev): -19.7246 -19.7246 -19.7201 -19.7201 -6.4824 -6.4824 -6.4667 -6.4667 -4.6232 -4.6232 -4.5991 -4.5991 -4.3650 -4.3650 -4.3369 -4.3369 3.7458 3.7458 5.1809 5.1809 5.8981 5.8981 5.9214 5.9214 6.1158 6.1158 6.2031 6.2031 6.5608 6.5608 6.7487 6.7487 6.8247 6.8247 7.0527 7.0527 7.3712 7.3712 7.5288 7.5288 7.5897 7.5897 7.7360 7.7360 8.0343 8.0343 8.0950 8.0950 8.1710 8.1710 8.7902 8.7902 9.3640 9.3640 9.5814 9.5814 10.2024 10.2024 10.3924 10.3924 k = 0.3523 0.2034 0.2299 ( 4346 PWs) bands (ev): -19.7227 -19.7227 -19.7184 -19.7184 -6.4878 -6.4878 -6.4730 -6.4730 -4.6318 -4.6318 -4.6093 -4.6093 -4.3683 -4.3683 -4.3399 -4.3399 3.8192 3.8192 5.1534 5.1534 5.8431 5.8431 5.9089 5.9089 6.1150 6.1150 6.2038 6.2038 6.5398 6.5398 6.7341 6.7341 6.8325 6.8325 7.0490 7.0490 7.3610 7.3610 7.5540 7.5540 7.6257 7.6257 7.7665 7.7665 8.0705 8.0705 8.1341 8.1341 8.1896 8.1896 8.7705 8.7705 9.3256 9.3256 9.5237 9.5237 10.2334 10.2334 10.3129 10.3129 k = 0.3636 0.2099 0.2299 ( 4350 PWs) bands (ev): -19.7209 -19.7209 -19.7167 -19.7167 -6.4929 -6.4929 -6.4790 -6.4790 -4.6400 -4.6400 -4.6191 -4.6191 -4.3711 -4.3711 -4.3425 -4.3425 3.8940 3.8940 5.1278 5.1278 5.7789 5.7789 5.9026 5.9026 6.1163 6.1163 6.2062 6.2062 6.5188 6.5188 6.7162 6.7162 6.8415 6.8415 7.0451 7.0451 7.3501 7.3501 7.5788 7.5788 7.6616 7.6616 7.7972 7.7972 8.0852 8.0852 8.1737 8.1737 8.2292 8.2292 8.7519 8.7519 9.2835 9.2835 9.4676 9.4676 10.2319 10.2319 10.2587 10.2587 k = 0.3750 0.2165 0.2299 ( 4348 PWs) bands (ev): -19.7192 -19.7192 -19.7152 -19.7152 -6.4978 -6.4978 -6.4847 -6.4847 -4.6476 -4.6476 -4.6285 -4.6285 -4.3736 -4.3736 -4.3448 -4.3448 3.9700 3.9700 5.1039 5.1039 5.7116 5.7116 5.8970 5.8970 6.1197 6.1197 6.2100 6.2100 6.4978 6.4978 6.6964 6.6964 6.8509 6.8509 7.0409 7.0409 7.3389 7.3389 7.6028 7.6028 7.6967 7.6967 7.8287 7.8287 8.0864 8.0864 8.2109 8.2109 8.2836 8.2836 8.7354 8.7354 9.2367 9.2367 9.4154 9.4154 10.1520 10.1520 10.2754 10.2754 k = 0.3864 0.2231 0.2299 ( 4352 PWs) bands (ev): -19.7176 -19.7176 -19.7138 -19.7138 -6.5024 -6.5024 -6.4901 -6.4901 -4.6548 -4.6548 -4.6373 -4.6373 -4.3758 -4.3758 -4.3469 -4.3469 4.0470 4.0470 5.0821 5.0821 5.6419 5.6419 5.8917 5.8917 6.1247 6.1247 6.2152 6.2152 6.4769 6.4769 6.6752 6.6752 6.8605 6.8605 7.0365 7.0365 7.3280 7.3280 7.6258 7.6258 7.7301 7.7301 7.8613 7.8613 8.0820 8.0820 8.2445 8.2445 8.3445 8.3445 8.7216 8.7216 9.1846 9.1846 9.3687 9.3687 10.0721 10.0721 10.2860 10.2860 k = 0.3977 0.2296 0.2299 ( 4352 PWs) bands (ev): -19.7161 -19.7161 -19.7125 -19.7125 -6.5065 -6.5065 -6.4952 -6.4952 -4.6613 -4.6613 -4.6455 -4.6455 -4.3776 -4.3776 -4.3487 -4.3487 4.1250 4.1250 5.0622 5.0622 5.5702 5.5702 5.8866 5.8866 6.1312 6.1312 6.2214 6.2214 6.4562 6.4562 6.6534 6.6534 6.8701 6.8701 7.0319 7.0319 7.3175 7.3175 7.6476 7.6476 7.7612 7.7612 7.8955 7.8955 8.0755 8.0755 8.2740 8.2740 8.4083 8.4083 8.7111 8.7111 9.1282 9.1282 9.3278 9.3278 9.9930 9.9930 10.2916 10.2916 k = 0.4091 0.2362 0.2299 ( 4350 PWs) bands (ev): -19.7148 -19.7148 -19.7114 -19.7114 -6.5104 -6.5104 -6.4998 -6.4998 -4.6671 -4.6671 -4.6530 -4.6530 -4.3791 -4.3791 -4.3502 -4.3502 4.2039 4.2039 5.0442 5.0442 5.4968 5.4968 5.8819 5.8819 6.1390 6.1390 6.2287 6.2287 6.4358 6.4358 6.6315 6.6315 6.8796 6.8796 7.0270 7.0270 7.3077 7.3077 7.6682 7.6682 7.7893 7.7893 7.9315 7.9315 8.0681 8.0681 8.2988 8.2988 8.4732 8.4732 8.7042 8.7042 9.0693 9.0693 9.2919 9.2919 9.9151 9.9151 10.2936 10.2936 k = 0.4205 0.2427 0.2299 ( 4344 PWs) bands (ev): -19.7136 -19.7136 -19.7103 -19.7103 -6.5138 -6.5138 -6.5040 -6.5040 -4.6723 -4.6723 -4.6599 -4.6599 -4.3804 -4.3804 -4.3515 -4.3515 4.2834 4.2834 5.0282 5.0282 5.4219 5.4219 5.8775 5.8775 6.1481 6.1481 6.2370 6.2370 6.4158 6.4158 6.6100 6.6100 6.8888 6.8888 7.0220 7.0220 7.2987 7.2987 7.6873 7.6873 7.8141 7.8141 7.9686 7.9686 8.0611 8.0611 8.3184 8.3184 8.5380 8.5380 8.7006 8.7006 9.0104 9.0104 9.2603 9.2603 9.8390 9.8390 10.2935 10.2935 k = 0.4318 0.2493 0.2299 ( 4348 PWs) bands (ev): -19.7125 -19.7125 -19.7094 -19.7094 -6.5167 -6.5167 -6.5078 -6.5078 -4.6767 -4.6767 -4.6660 -4.6660 -4.3815 -4.3815 -4.3527 -4.3527 4.3634 4.3634 5.0142 5.0142 5.3459 5.3459 5.8736 5.8736 6.1579 6.1579 6.2457 6.2457 6.3965 6.3965 6.5894 6.5894 6.8977 6.8977 7.0168 7.0168 7.2906 7.2906 7.7048 7.7048 7.8353 7.8353 8.0044 8.0044 8.0566 8.0566 8.3330 8.3330 8.6016 8.6016 8.6995 8.6995 8.9540 8.9540 9.2322 9.2322 9.7655 9.7655 10.2921 10.2921 k = 0.4432 0.2559 0.2299 ( 4342 PWs) bands (ev): -19.7116 -19.7116 -19.7087 -19.7087 -6.5192 -6.5192 -6.5110 -6.5110 -4.6804 -4.6804 -4.6713 -4.6713 -4.3824 -4.3824 -4.3536 -4.3536 4.4437 4.4437 5.0024 5.0024 5.2690 5.2690 5.8702 5.8702 6.1683 6.1683 6.2546 6.2546 6.3780 6.3780 6.5703 6.5703 6.9061 6.9061 7.0116 7.0116 7.2835 7.2835 7.7204 7.7204 7.8532 7.8532 8.0268 8.0268 8.0663 8.0663 8.3431 8.3431 8.6616 8.6616 8.6996 8.6996 8.9034 8.9034 9.2074 9.2074 9.6957 9.6957 10.2900 10.2900 k = 0.4545 0.2624 0.2299 ( 4338 PWs) bands (ev): -19.7109 -19.7109 -19.7080 -19.7080 -6.5213 -6.5213 -6.5137 -6.5137 -4.6833 -4.6833 -4.6759 -4.6759 -4.3831 -4.3831 -4.3543 -4.3543 4.5239 4.5239 4.9926 4.9926 5.1916 5.1916 5.8674 5.8674 6.1789 6.1789 6.2635 6.2635 6.3606 6.3606 6.5531 6.5531 6.9139 6.9139 7.0065 7.0065 7.2776 7.2776 7.7339 7.7339 7.8678 7.8678 8.0278 8.0278 8.0970 8.0970 8.3497 8.3497 8.6879 8.6879 8.7256 8.7256 8.8630 8.8630 9.1859 9.1859 9.6311 9.6311 10.2879 10.2879 k = 0.4659 0.2690 0.2299 ( 4334 PWs) bands (ev): -19.7103 -19.7103 -19.7075 -19.7075 -6.5229 -6.5229 -6.5158 -6.5158 -4.6854 -4.6854 -4.6796 -4.6796 -4.3836 -4.3836 -4.3549 -4.3549 4.6034 4.6034 4.9847 4.9847 5.1144 5.1144 5.8652 5.8652 6.1891 6.1891 6.2719 6.2719 6.3447 6.3447 6.5386 6.5386 6.9207 6.9207 7.0018 7.0018 7.2730 7.2730 7.7449 7.7449 7.8791 7.8791 8.0237 8.0237 8.1303 8.1303 8.3538 8.3538 8.6774 8.6774 8.7747 8.7747 8.8371 8.8371 9.1682 9.1682 9.5742 9.5742 10.2859 10.2859 k = 0.4773 0.2756 0.2299 ( 4334 PWs) bands (ev): -19.7099 -19.7099 -19.7072 -19.7072 -6.5241 -6.5241 -6.5174 -6.5174 -4.6868 -4.6868 -4.6825 -4.6825 -4.3840 -4.3840 -4.3553 -4.3553 4.6808 4.6808 4.9780 4.9780 5.0396 5.0396 5.8635 5.8635 6.1979 6.1979 6.2791 6.2791 6.3313 6.3313 6.5275 6.5275 6.9262 6.9262 6.9978 6.9978 7.2696 7.2696 7.7530 7.7530 7.8872 7.8872 8.0197 8.0197 8.1591 8.1591 8.3564 8.3564 8.6602 8.6602 8.8090 8.8090 8.8313 8.8313 9.1547 9.1547 9.5284 9.5284 10.2843 10.2843 k = 0.4886 0.2821 0.2299 ( 4334 PWs) bands (ev): -19.7096 -19.7096 -19.7069 -19.7069 -6.5247 -6.5247 -6.5183 -6.5183 -4.6874 -4.6874 -4.6843 -4.6843 -4.3842 -4.3842 -4.3556 -4.3556 4.7513 4.7513 4.9591 4.9591 4.9857 4.9857 5.8625 5.8625 6.2041 6.2041 6.2846 6.2846 6.3215 6.3215 6.5204 6.5204 6.9298 6.9298 6.9950 6.9950 7.2676 7.2676 7.7581 7.7581 7.8921 7.8921 8.0171 8.0171 8.1785 8.1785 8.3577 8.3577 8.6448 8.6448 8.8127 8.8127 8.8510 8.8510 9.1461 9.1461 9.4980 9.4980 10.2833 10.2833 k = 0.5000 0.2887 0.2299 ( 4324 PWs) bands (ev): -19.7095 -19.7095 -19.7069 -19.7069 -6.5250 -6.5250 -6.5186 -6.5186 -4.6875 -4.6875 -4.6850 -4.6850 -4.3842 -4.3842 -4.3556 -4.3556 4.7890 4.7890 4.9268 4.9268 4.9797 4.9797 5.8622 5.8622 6.2064 6.2064 6.2869 6.2869 6.3177 6.3177 6.5180 6.5180 6.9312 6.9312 6.9941 6.9941 7.2670 7.2670 7.7598 7.7598 7.8937 7.8937 8.0162 8.0162 8.1855 8.1855 8.3583 8.3583 8.6387 8.6387 8.8123 8.8123 8.8603 8.8603 9.1432 9.1432 9.4872 9.4872 10.2830 10.2830 k = 0.5000 0.2887 0.2299 ( 4324 PWs) bands (ev): -19.7095 -19.7095 -19.7069 -19.7069 -6.5250 -6.5250 -6.5186 -6.5186 -4.6875 -4.6875 -4.6850 -4.6850 -4.3842 -4.3842 -4.3556 -4.3556 4.7890 4.7890 4.9268 4.9268 4.9797 4.9797 5.8622 5.8622 6.2064 6.2064 6.2869 6.2869 6.3177 6.3177 6.5180 6.5180 6.9312 6.9312 6.9941 6.9941 7.2670 7.2670 7.7598 7.7598 7.8937 7.8937 8.0162 8.0162 8.1855 8.1855 8.3583 8.3583 8.6387 8.6387 8.8123 8.8123 8.8603 8.8603 9.1432 9.1432 9.4872 9.4872 10.2830 10.2830 k = 0.4933 0.3002 0.2299 ( 4328 PWs) bands (ev): -19.7095 -19.7095 -19.7068 -19.7068 -6.5250 -6.5250 -6.5187 -6.5187 -4.6874 -4.6874 -4.6849 -4.6849 -4.3847 -4.3847 -4.3562 -4.3562 4.7891 4.7891 4.9267 4.9267 4.9798 4.9798 5.8626 5.8626 6.2068 6.2068 6.2835 6.2835 6.3234 6.3234 6.5179 6.5179 6.9317 6.9317 6.9944 6.9944 7.2673 7.2673 7.7602 7.7602 7.8940 7.8940 8.0163 8.0163 8.1865 8.1865 8.3582 8.3582 8.6401 8.6401 8.8133 8.8133 8.8594 8.8594 9.1432 9.1432 9.4774 9.4774 10.2878 10.2878 k = 0.4867 0.3118 0.2299 ( 4344 PWs) bands (ev): -19.7094 -19.7094 -19.7068 -19.7068 -6.5250 -6.5250 -6.5187 -6.5187 -4.6871 -4.6871 -4.6843 -4.6843 -4.3862 -4.3862 -4.3577 -4.3577 4.7893 4.7893 4.9262 4.9262 4.9804 4.9804 5.8634 5.8634 6.2079 6.2079 6.2775 6.2775 6.3364 6.3364 6.5175 6.5175 6.9334 6.9334 6.9956 6.9956 7.2682 7.2682 7.7613 7.7613 7.8948 7.8948 8.0170 8.0170 8.1893 8.1893 8.3580 8.3580 8.6442 8.6442 8.8162 8.8162 8.8567 8.8567 9.1433 9.1433 9.4490 9.4490 10.3014 10.3014 k = 0.4800 0.3233 0.2299 ( 4344 PWs) bands (ev): -19.7093 -19.7093 -19.7067 -19.7067 -6.5251 -6.5251 -6.5189 -6.5189 -4.6865 -4.6865 -4.6835 -4.6835 -4.3886 -4.3886 -4.3602 -4.3602 4.7896 4.7896 4.9255 4.9255 4.9816 4.9816 5.8649 5.8649 6.2090 6.2090 6.2733 6.2733 6.3532 6.3532 6.5169 6.5169 6.9362 6.9362 6.9976 6.9976 7.2699 7.2699 7.7632 7.7632 7.8963 7.8963 8.0181 8.0181 8.1937 8.1937 8.3576 8.3576 8.6511 8.6511 8.8207 8.8207 8.8528 8.8528 9.1434 9.1434 9.4041 9.4041 10.3220 10.3220 k = 0.4733 0.3349 0.2299 ( 4352 PWs) bands (ev): -19.7091 -19.7091 -19.7065 -19.7065 -6.5252 -6.5252 -6.5190 -6.5190 -4.6857 -4.6857 -4.6823 -4.6823 -4.3919 -4.3919 -4.3637 -4.3637 4.7901 4.7901 4.9245 4.9245 4.9833 4.9833 5.8669 5.8669 6.2089 6.2089 6.2727 6.2727 6.3725 6.3725 6.5163 6.5163 6.9400 6.9400 7.0003 7.0003 7.2723 7.2723 7.7657 7.7657 7.8983 7.8983 8.0196 8.0196 8.1996 8.1996 8.3570 8.3570 8.6610 8.6610 8.8257 8.8257 8.8486 8.8486 9.1434 9.1434 9.3460 9.3460 10.3472 10.3472 k = 0.4667 0.3464 0.2299 ( 4348 PWs) bands (ev): -19.7088 -19.7088 -19.7063 -19.7063 -6.5254 -6.5254 -6.5192 -6.5192 -4.6846 -4.6846 -4.6808 -4.6808 -4.3961 -4.3961 -4.3681 -4.3681 4.7908 4.7908 4.9233 4.9233 4.9854 4.9854 5.8696 5.8696 6.2071 6.2071 6.2766 6.2766 6.3939 6.3939 6.5159 6.5159 6.9448 6.9448 7.0037 7.0037 7.2752 7.2752 7.7689 7.7689 7.9009 7.9009 8.0217 8.0217 8.2065 8.2065 8.3563 8.3563 8.6741 8.6741 8.8266 8.8266 8.8487 8.8487 9.1425 9.1425 9.2780 9.2780 10.3751 10.3751 k = 0.4600 0.3580 0.2299 ( 4350 PWs) bands (ev): -19.7085 -19.7085 -19.7060 -19.7060 -6.5256 -6.5256 -6.5195 -6.5195 -4.6833 -4.6833 -4.6789 -4.6789 -4.4011 -4.4011 -4.3733 -4.3733 4.7917 4.7917 4.9220 4.9220 4.9877 4.9877 5.8727 5.8727 6.2036 6.2036 6.2848 6.2848 6.4167 6.4167 6.5163 6.5163 6.9506 6.9506 7.0077 7.0077 7.2788 7.2788 7.7724 7.7724 7.9041 7.9041 8.0242 8.0242 8.2140 8.2140 8.3554 8.3554 8.6903 8.6903 8.8198 8.8198 8.8567 8.8567 9.1364 9.1364 9.2074 9.2074 10.4039 10.4039 k = 0.4533 0.3695 0.2299 ( 4340 PWs) bands (ev): -19.7082 -19.7082 -19.7057 -19.7057 -6.5258 -6.5258 -6.5198 -6.5198 -4.6818 -4.6818 -4.6768 -4.6768 -4.4069 -4.4069 -4.3794 -4.3794 4.7928 4.7928 4.9206 4.9206 4.9905 4.9905 5.8765 5.8765 6.1989 6.1989 6.2961 6.2961 6.4399 6.4399 6.5187 6.5187 6.9572 6.9572 7.0123 7.0123 7.2829 7.2829 7.7764 7.7764 7.9078 7.9078 8.0270 8.0270 8.2218 8.2218 8.3543 8.3543 8.7098 8.7098 8.8084 8.8084 8.8687 8.8687 9.0956 9.0956 9.1664 9.1664 10.4327 10.4327 k = 0.4467 0.3811 0.2299 ( 4340 PWs) bands (ev): -19.7078 -19.7078 -19.7054 -19.7054 -6.5261 -6.5261 -6.5202 -6.5202 -4.6802 -4.6802 -4.6744 -4.6744 -4.4133 -4.4133 -4.3861 -4.3861 4.7942 4.7942 4.9191 4.9191 4.9936 4.9936 5.8807 5.8807 6.1935 6.1935 6.3095 6.3095 6.4611 6.4611 6.5260 6.5260 6.9646 6.9646 7.0172 7.0172 7.2874 7.2874 7.7804 7.7804 7.9121 7.9121 8.0303 8.0303 8.2294 8.2294 8.3529 8.3529 8.7324 8.7324 8.7940 8.7940 8.8808 8.8808 9.0182 9.0182 9.1614 9.1614 10.4608 10.4608 k = 0.4400 0.3926 0.2299 ( 4336 PWs) bands (ev): -19.7073 -19.7073 -19.7051 -19.7051 -6.5264 -6.5264 -6.5206 -6.5206 -4.6783 -4.6783 -4.6718 -4.6718 -4.4203 -4.4203 -4.3935 -4.3935 4.7959 4.7959 4.9177 4.9177 4.9968 4.9968 5.8853 5.8853 6.1879 6.1879 6.3236 6.3236 6.4770 6.4770 6.5419 6.5419 6.9728 6.9728 7.0226 7.0226 7.2923 7.2923 7.7845 7.7845 7.9168 7.9168 8.0338 8.0338 8.2366 8.2366 8.3513 8.3513 8.7574 8.7574 8.7764 8.7764 8.8765 8.8765 8.9521 8.9521 9.1635 9.1635 10.4877 10.4877 k = 0.4333 0.4041 0.2299 ( 4324 PWs) bands (ev): -19.7069 -19.7069 -19.7047 -19.7047 -6.5267 -6.5267 -6.5211 -6.5211 -4.6763 -4.6763 -4.6689 -4.6689 -4.4277 -4.4277 -4.4014 -4.4014 4.7979 4.7979 4.9163 4.9163 5.0002 5.0002 5.8905 5.8905 6.1823 6.1823 6.3370 6.3370 6.4880 6.4880 6.5672 6.5672 6.9816 6.9816 7.0282 7.0282 7.2975 7.2975 7.7882 7.7882 7.9221 7.9221 8.0374 8.0374 8.2429 8.2429 8.3494 8.3494 8.7492 8.7492 8.7815 8.7815 8.8221 8.8221 8.9461 8.9461 9.1682 9.1682 10.5132 10.5132 k = 0.4267 0.4157 0.2299 ( 4324 PWs) bands (ev): -19.7064 -19.7064 -19.7043 -19.7043 -6.5271 -6.5271 -6.5216 -6.5216 -4.6741 -4.6741 -4.6659 -4.6659 -4.4355 -4.4355 -4.4097 -4.4097 4.8004 4.8004 4.9152 4.9152 5.0036 5.0036 5.8959 5.8959 6.1769 6.1769 6.3479 6.3479 6.4983 6.4983 6.5987 6.5987 6.9912 6.9912 7.0338 7.0338 7.3027 7.3027 7.7914 7.7914 7.9276 7.9276 8.0412 8.0412 8.2483 8.2483 8.3473 8.3473 8.6888 8.6888 8.7594 8.7594 8.8226 8.8226 8.9651 8.9651 9.1754 9.1754 10.5358 10.5358 k = 0.4200 0.4272 0.2299 ( 4332 PWs) bands (ev): -19.7059 -19.7059 -19.7039 -19.7039 -6.5275 -6.5275 -6.5222 -6.5222 -4.6719 -4.6719 -4.6626 -4.6626 -4.4436 -4.4436 -4.4183 -4.4183 4.8032 4.8032 4.9143 4.9143 5.0068 5.0068 5.9016 5.9016 6.1718 6.1718 6.3546 6.3546 6.5116 6.5116 6.6337 6.6337 7.0016 7.0016 7.0394 7.0394 7.3080 7.3080 7.7937 7.7937 7.9335 7.9335 8.0449 8.0449 8.2527 8.2527 8.3448 8.3448 8.5991 8.5991 8.7328 8.7328 8.8524 8.8524 8.9895 8.9895 9.1854 9.1854 10.5399 10.5399 k = 0.4133 0.4388 0.2299 ( 4336 PWs) bands (ev): -19.7054 -19.7054 -19.7035 -19.7035 -6.5279 -6.5279 -6.5228 -6.5228 -4.6695 -4.6695 -4.6592 -4.6592 -4.4518 -4.4518 -4.4270 -4.4270 4.8066 4.8066 4.9138 4.9138 5.0097 5.0097 5.9075 5.9075 6.1672 6.1672 6.3566 6.3566 6.5297 6.5297 6.6709 6.6709 7.0129 7.0129 7.0448 7.0448 7.3132 7.3132 7.7944 7.7944 7.9394 7.9394 8.0486 8.0486 8.2559 8.2559 8.3421 8.3421 8.5042 8.5042 8.7087 8.7087 8.8834 8.8834 9.0164 9.0164 9.1988 9.1988 10.5030 10.5030 k = 0.4067 0.4503 0.2299 ( 4340 PWs) bands (ev): -19.7048 -19.7048 -19.7031 -19.7031 -6.5283 -6.5283 -6.5235 -6.5235 -4.6672 -4.6672 -4.6557 -4.6557 -4.4601 -4.4601 -4.4359 -4.4359 4.8104 4.8104 4.9136 4.9136 5.0123 5.0123 5.9136 5.9136 6.1632 6.1632 6.3539 6.3539 6.5524 6.5524 6.7092 6.7092 7.0253 7.0253 7.0498 7.0498 7.3184 7.3184 7.7928 7.7928 7.9454 7.9454 8.0519 8.0519 8.2579 8.2579 8.3386 8.3386 8.4114 8.4114 8.6844 8.6844 8.9131 8.9131 9.0448 9.0448 9.2163 9.2163 10.4581 10.4581 k = 0.4000 0.4619 0.2299 ( 4346 PWs) bands (ev): -19.7043 -19.7043 -19.7026 -19.7026 -6.5288 -6.5288 -6.5242 -6.5242 -4.6648 -4.6648 -4.6522 -4.6522 -4.4682 -4.4682 -4.4446 -4.4446 4.8148 4.8148 4.9139 4.9139 5.0143 5.0143 5.9196 5.9196 6.1599 6.1599 6.3475 6.3475 6.5790 6.5790 6.7478 6.7478 7.0391 7.0391 7.0542 7.0542 7.3235 7.3235 7.7876 7.7876 7.9510 7.9510 8.0550 8.0550 8.2573 8.2573 8.3161 8.3161 8.3437 8.3437 8.6589 8.6589 8.9399 8.9399 9.0741 9.0741 9.2381 9.2381 10.4122 10.4122 k = 0.3933 0.4734 0.2299 ( 4342 PWs) bands (ev): -19.7038 -19.7038 -19.7022 -19.7022 -6.5293 -6.5293 -6.5249 -6.5249 -4.6626 -4.6626 -4.6487 -4.6487 -4.4760 -4.4760 -4.4531 -4.4531 4.8199 4.8199 4.9149 4.9149 5.0154 5.0154 5.9255 5.9255 6.1577 6.1577 6.3384 6.3384 6.6084 6.6084 6.7858 6.7858 7.0532 7.0532 7.0593 7.0593 7.3286 7.3286 7.7769 7.7769 7.9560 7.9560 8.0577 8.0577 8.2266 8.2266 8.2698 8.2698 8.3371 8.3371 8.6324 8.6324 8.9628 8.9628 9.1038 9.1038 9.2640 9.2640 10.3668 10.3668 k = 0.3867 0.4850 0.2299 ( 4326 PWs) bands (ev): -19.7032 -19.7032 -19.7019 -19.7019 -6.5297 -6.5297 -6.5256 -6.5256 -4.6604 -4.6604 -4.6453 -4.6453 -4.4835 -4.4835 -4.4612 -4.4612 4.8256 4.8256 4.9165 4.9165 5.0155 5.0155 5.9312 5.9312 6.1566 6.1566 6.3272 6.3272 6.6398 6.6398 6.8221 6.8221 7.0578 7.0578 7.0751 7.0751 7.3338 7.3338 7.7576 7.7576 7.9599 7.9599 8.0601 8.0601 8.1607 8.1607 8.2668 8.2668 8.3347 8.3347 8.6049 8.6049 8.9813 8.9813 9.1334 9.1334 9.2928 9.2928 10.3231 10.3231 k = 0.3800 0.4965 0.2299 ( 4322 PWs) bands (ev): -19.7028 -19.7028 -19.7015 -19.7015 -6.5302 -6.5302 -6.5264 -6.5264 -4.6584 -4.6584 -4.6421 -4.6421 -4.4904 -4.4904 -4.4688 -4.4688 4.8319 4.8319 4.9187 4.9187 5.0144 5.0144 5.9363 5.9363 6.1568 6.1568 6.3146 6.3146 6.6722 6.6722 6.8555 6.8555 7.0579 7.0579 7.0968 7.0968 7.3393 7.3393 7.7266 7.7266 7.9620 7.9620 8.0617 8.0617 8.1074 8.1074 8.2672 8.2672 8.3332 8.3332 8.5763 8.5763 8.9958 8.9958 9.1626 9.1626 9.3226 9.3226 10.2823 10.2823 k = 0.3733 0.5081 0.2299 ( 4324 PWs) bands (ev): -19.7023 -19.7023 -19.7012 -19.7012 -6.5306 -6.5306 -6.5271 -6.5271 -4.6566 -4.6566 -4.6391 -4.6391 -4.4967 -4.4967 -4.4758 -4.4758 4.8388 4.8388 4.9217 4.9217 5.0118 5.0118 5.9409 5.9409 6.1585 6.1585 6.3009 6.3009 6.7050 6.7050 6.8850 6.8850 7.0553 7.0553 7.1223 7.1223 7.3451 7.3451 7.6829 7.6829 7.9619 7.9619 8.0616 8.0616 8.0731 8.0731 8.2687 8.2687 8.3325 8.3325 8.5467 8.5467 9.0067 9.0067 9.1908 9.1908 9.3511 9.3511 10.2456 10.2456 k = 0.3667 0.5196 0.2299 ( 4320 PWs) bands (ev): -19.7019 -19.7019 -19.7010 -19.7010 -6.5310 -6.5310 -6.5278 -6.5278 -4.6550 -4.6550 -4.6364 -4.6364 -4.5022 -4.5022 -4.4819 -4.4819 4.8463 4.8463 4.9255 4.9255 5.0074 5.0074 5.9448 5.9448 6.1618 6.1618 6.2865 6.2865 6.7375 6.7375 6.9102 6.9102 7.0499 7.0499 7.1517 7.1517 7.3511 7.3511 7.6292 7.6292 7.9603 7.9603 8.0516 8.0516 8.0647 8.0647 8.2712 8.2712 8.3331 8.3331 8.5162 8.5162 9.0148 9.0148 9.2172 9.2172 9.3763 9.3763 10.2143 10.2143 k = 0.3600 0.5312 0.2299 ( 4328 PWs) bands (ev): -19.7015 -19.7015 -19.7007 -19.7007 -6.5314 -6.5314 -6.5284 -6.5284 -4.6538 -4.6538 -4.6342 -4.6342 -4.5068 -4.5068 -4.4870 -4.4870 4.8544 4.8544 4.9302 4.9302 5.0009 5.0009 5.9478 5.9478 6.1668 6.1668 6.2720 6.2720 6.7688 6.7688 6.9311 6.9311 7.0409 7.0409 7.1841 7.1841 7.3570 7.3570 7.5709 7.5709 7.9584 7.9584 8.0444 8.0444 8.0640 8.0640 8.2750 8.2750 8.3352 8.3352 8.4850 8.4850 9.0207 9.0207 9.2412 9.2412 9.3963 9.3963 10.1890 10.1890 k = 0.3533 0.5427 0.2299 ( 4320 PWs) bands (ev): -19.7011 -19.7011 -19.7006 -19.7006 -6.5316 -6.5316 -6.5290 -6.5290 -4.6529 -4.6529 -4.6324 -4.6324 -4.5105 -4.5105 -4.4911 -4.4911 4.8628 4.8628 4.9358 4.9358 4.9925 4.9925 5.9501 5.9501 6.1736 6.1736 6.2575 6.2575 6.7981 6.7981 6.9481 6.9481 7.0284 7.0284 7.2186 7.2186 7.3617 7.3617 7.5142 7.5142 7.9573 7.9573 8.0430 8.0430 8.0629 8.0629 8.2806 8.2806 8.3394 8.3394 8.4536 8.4536 9.0248 9.0248 9.2618 9.2618 9.4101 9.4101 10.1705 10.1705 k = 0.3467 0.5543 0.2299 ( 4312 PWs) bands (ev): -19.7009 -19.7009 -19.7005 -19.7005 -6.5318 -6.5318 -6.5294 -6.5294 -4.6523 -4.6523 -4.6312 -4.6312 -4.5131 -4.5131 -4.4941 -4.4941 4.8711 4.8711 4.9423 4.9423 4.9821 4.9821 5.9516 5.9516 6.1817 6.1817 6.2437 6.2437 6.8239 6.8239 6.9618 6.9618 7.0128 7.0128 7.2535 7.2535 7.3616 7.3616 7.4665 7.4665 7.9570 7.9570 8.0448 8.0448 8.0611 8.0611 8.2879 8.2879 8.3459 8.3459 8.4222 8.4222 9.0275 9.0275 9.2782 9.2782 9.4178 9.4178 10.1586 10.1586 k = 0.3400 0.5658 0.2299 ( 4320 PWs) bands (ev): -19.7007 -19.7007 -19.7005 -19.7005 -6.5320 -6.5320 -6.5297 -6.5297 -4.6519 -4.6519 -4.6305 -4.6305 -4.5146 -4.5146 -4.4958 -4.4958 4.8782 4.8782 4.9495 4.9495 4.9706 4.9706 5.9523 5.9523 6.1899 6.1899 6.2318 6.2318 6.8432 6.8432 6.9726 6.9726 6.9964 6.9964 7.2871 7.2871 7.3491 7.3491 7.4378 7.4378 7.9572 7.9572 8.0478 8.0478 8.0587 8.0587 8.2965 8.2965 8.3555 8.3555 8.3926 8.3926 9.0290 9.0290 9.2891 9.2891 9.4206 9.4206 10.1524 10.1524 k = 0.3333 0.5774 0.2299 ( 4320 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5320 -6.5320 -6.5299 -6.5299 -4.6518 -4.6518 -4.6303 -4.6303 -4.5151 -4.5151 -4.4964 -4.4964 4.8815 4.8815 4.9550 4.9550 4.9627 4.9627 5.9525 5.9525 6.1944 6.1944 6.2261 6.2261 6.8511 6.8511 6.9784 6.9784 6.9871 6.9871 7.3113 7.3113 7.3297 7.3297 7.4308 7.4308 7.9574 7.9574 8.0499 8.0499 8.0568 8.0568 8.3018 8.3018 8.3657 8.3657 8.3730 8.3730 9.0295 9.0295 9.2930 9.2930 9.4209 9.4209 10.1507 10.1507 k = 0.3333 0.5774 0.2299 ( 4320 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5320 -6.5320 -6.5299 -6.5299 -4.6518 -4.6518 -4.6303 -4.6303 -4.5151 -4.5151 -4.4964 -4.4964 4.8815 4.8815 4.9550 4.9550 4.9627 4.9627 5.9525 5.9525 6.1944 6.1944 6.2261 6.2261 6.8511 6.8511 6.9784 6.9784 6.9871 6.9871 7.3113 7.3113 7.3297 7.3297 7.4308 7.4308 7.9574 7.9574 8.0499 8.0499 8.0568 8.0568 8.3018 8.3018 8.3657 8.3657 8.3730 8.3730 9.0295 9.0295 9.2930 9.2930 9.4209 9.4209 10.1507 10.1507 k = 0.3267 0.5658 0.2299 ( 4322 PWs) bands (ev): -19.7007 -19.7007 -19.7005 -19.7005 -6.5319 -6.5319 -6.5297 -6.5297 -4.6519 -4.6519 -4.6304 -4.6304 -4.5146 -4.5146 -4.4959 -4.4959 4.8763 4.8763 4.9524 4.9524 4.9694 4.9694 5.9523 5.9523 6.1896 6.1896 6.2322 6.2322 6.8421 6.8421 6.9785 6.9785 6.9920 6.9920 7.2885 7.2885 7.3507 7.3507 7.4342 7.4342 7.9571 7.9571 8.0471 8.0471 8.0591 8.0591 8.2918 8.2918 8.3653 8.3653 8.3878 8.3878 9.0290 9.0290 9.2889 9.2889 9.4213 9.4213 10.1519 10.1519 k = 0.3200 0.5543 0.2299 ( 4322 PWs) bands (ev): -19.7009 -19.7009 -19.7005 -19.7005 -6.5318 -6.5318 -6.5293 -6.5293 -4.6520 -4.6520 -4.6309 -4.6309 -4.5132 -4.5132 -4.4942 -4.4942 4.8590 4.8590 4.9558 4.9558 4.9799 4.9799 5.9519 5.9519 6.1799 6.1799 6.2456 6.2456 6.8179 6.8179 6.9856 6.9856 6.9986 6.9986 7.2617 7.2617 7.3749 7.3749 7.4409 7.4409 7.9559 7.9559 8.0411 8.0411 8.0629 8.0629 8.2663 8.2663 8.3825 8.3825 8.4106 8.4106 9.0274 9.0274 9.2775 9.2775 9.4232 9.4232 10.1543 10.1543 k = 0.3133 0.5427 0.2299 ( 4330 PWs) bands (ev): -19.7012 -19.7012 -19.7006 -19.7006 -6.5315 -6.5315 -6.5287 -6.5287 -4.6522 -4.6522 -4.6315 -4.6315 -4.5110 -4.5110 -4.4917 -4.4917 4.8316 4.8316 4.9655 4.9655 4.9916 4.9916 5.9514 5.9514 6.1694 6.1694 6.2622 6.2622 6.7852 6.7852 6.9958 6.9958 7.0054 7.0054 7.2389 7.2389 7.3949 7.3949 7.4480 7.4480 7.9535 7.9535 8.0332 8.0332 8.0663 8.0663 8.2357 8.2357 8.4097 8.4097 8.4390 8.4390 9.0247 9.0247 9.2609 9.2609 9.4267 9.4267 10.1567 10.1567 k = 0.3067 0.5312 0.2299 ( 4332 PWs) bands (ev): -19.7016 -19.7016 -19.7008 -19.7008 -6.5310 -6.5310 -6.5277 -6.5277 -4.6521 -4.6521 -4.6321 -4.6321 -4.5081 -4.5081 -4.4883 -4.4883 4.7967 4.7967 4.9788 4.9788 5.0045 5.0045 5.9509 5.9509 6.1594 6.1594 6.2807 6.2807 6.7496 6.7496 7.0038 7.0038 7.0139 7.0139 7.2209 7.2209 7.4102 7.4102 7.4542 7.4542 7.9497 7.9497 8.0236 8.0236 8.0682 8.0682 8.2045 8.2045 8.4429 8.4429 8.4733 8.4733 9.0206 9.0206 9.2420 9.2420 9.4312 9.4312 10.1582 10.1582 k = 0.3000 0.5196 0.2299 ( 4336 PWs) bands (ev): -19.7022 -19.7022 -19.7011 -19.7011 -6.5303 -6.5303 -6.5265 -6.5265 -4.6519 -4.6519 -4.6325 -4.6325 -4.5046 -4.5046 -4.4842 -4.4842 4.7558 4.7558 4.9945 4.9945 5.0186 5.0186 5.9505 5.9505 6.1502 6.1502 6.3008 6.3008 6.7141 6.7141 7.0086 7.0086 7.0226 7.0226 7.2076 7.2076 7.4208 7.4208 7.4589 7.4589 7.9445 7.9445 8.0120 8.0120 8.0674 8.0674 8.1753 8.1753 8.4795 8.4795 8.5135 8.5135 9.0153 9.0153 9.2234 9.2234 9.4359 9.4359 10.1580 10.1580 k = 0.2933 0.5081 0.2299 ( 4340 PWs) bands (ev): -19.7028 -19.7028 -19.7016 -19.7016 -6.5294 -6.5294 -6.5250 -6.5250 -4.6514 -4.6514 -4.6327 -4.6327 -4.5005 -4.5005 -4.4795 -4.4795 4.7096 4.7096 5.0118 5.0118 5.0339 5.0339 5.9504 5.9504 6.1420 6.1420 6.3222 6.3222 6.6807 6.6807 7.0120 7.0120 7.0288 7.0288 7.1989 7.1989 7.4270 7.4270 7.4615 7.4615 7.9379 7.9379 7.9984 7.9984 8.0614 8.0614 8.1509 8.1509 8.5170 8.5170 8.5596 8.5596 9.0098 9.0098 9.2077 9.2077 9.4408 9.4408 10.1560 10.1560 k = 0.2867 0.4965 0.2299 ( 4340 PWs) bands (ev): -19.7035 -19.7035 -19.7021 -19.7021 -6.5282 -6.5282 -6.5231 -6.5231 -4.6506 -4.6506 -4.6325 -4.6325 -4.4960 -4.4960 -4.4743 -4.4743 4.6586 4.6586 5.0306 5.0306 5.0503 5.0503 5.9507 5.9507 6.1349 6.1349 6.3446 6.3446 6.6504 6.6504 7.0140 7.0140 7.0317 7.0317 7.1951 7.1951 7.4290 7.4290 7.4620 7.4620 7.9297 7.9297 7.9824 7.9824 8.0475 8.0475 8.1348 8.1348 8.5518 8.5518 8.6111 8.6111 9.0061 9.0061 9.1964 9.1964 9.4456 9.4456 10.1521 10.1521 k = 0.2800 0.4850 0.2299 ( 4342 PWs) bands (ev): -19.7044 -19.7044 -19.7027 -19.7027 -6.5267 -6.5267 -6.5209 -6.5209 -4.6493 -4.6493 -4.6318 -4.6318 -4.4910 -4.4910 -4.4687 -4.4687 4.6033 4.6033 5.0504 5.0504 5.0679 5.0679 5.9514 5.9514 6.1287 6.1287 6.3680 6.3680 6.6238 6.6238 7.0141 7.0141 7.0319 7.0319 7.1954 7.1954 7.4272 7.4272 7.4603 7.4603 7.9201 7.9201 7.9634 7.9634 8.0262 8.0262 8.1272 8.1272 8.5792 8.5792 8.6675 8.6675 9.0081 9.0081 9.1903 9.1903 9.4505 9.4505 10.1467 10.1467 k = 0.2733 0.4734 0.2299 ( 4342 PWs) bands (ev): -19.7053 -19.7053 -19.7034 -19.7034 -6.5248 -6.5248 -6.5184 -6.5184 -4.6477 -4.6477 -4.6306 -4.6306 -4.4857 -4.4857 -4.4627 -4.4627 4.5442 4.5442 5.0714 5.0714 5.0866 5.0866 5.9527 5.9527 6.1235 6.1235 6.3922 6.3922 6.6015 6.6015 7.0112 7.0112 7.0314 7.0314 7.1989 7.1989 7.4218 7.4218 7.4569 7.4569 7.9089 7.9089 7.9410 7.9410 8.0016 8.0016 8.1251 8.1251 8.5941 8.5941 8.7283 8.7283 9.0203 9.0203 9.1900 9.1900 9.4556 9.4556 10.1401 10.1401 k = 0.2667 0.4619 0.2299 ( 4342 PWs) bands (ev): -19.7064 -19.7064 -19.7043 -19.7043 -6.5227 -6.5227 -6.5155 -6.5155 -4.6456 -4.6456 -4.6287 -4.6287 -4.4800 -4.4800 -4.4565 -4.4565 4.4817 4.4817 5.0933 5.0933 5.1065 5.1065 5.9546 5.9546 6.1190 6.1190 6.4169 6.4169 6.5836 6.5836 7.0044 7.0044 7.0316 7.0316 7.2046 7.2046 7.4131 7.4131 7.4519 7.4519 7.8959 7.8959 7.9151 7.9151 7.9767 7.9767 8.1257 8.1257 8.5932 8.5932 8.7926 8.7926 9.0450 9.0450 9.1957 9.1957 9.4612 9.4612 10.1331 10.1331 k = 0.2600 0.4503 0.2299 ( 4346 PWs) bands (ev): -19.7076 -19.7076 -19.7052 -19.7052 -6.5202 -6.5202 -6.5122 -6.5122 -4.6430 -4.6430 -4.6263 -4.6263 -4.4741 -4.4741 -4.4500 -4.4500 4.4163 4.4163 5.1161 5.1161 5.1274 5.1274 5.9571 5.9571 6.1153 6.1153 6.4419 6.4419 6.5702 6.5702 6.9948 6.9948 7.0326 7.0326 7.2114 7.2114 7.4016 7.4016 7.4456 7.4456 7.8785 7.8785 7.8886 7.8886 7.9526 7.9526 8.1279 8.1279 8.5769 8.5769 8.8594 8.8594 9.0802 9.0802 9.2088 9.2088 9.4676 9.4676 10.1264 10.1264 k = 0.2533 0.4388 0.2299 ( 4346 PWs) bands (ev): -19.7089 -19.7089 -19.7063 -19.7063 -6.5174 -6.5174 -6.5086 -6.5086 -4.6401 -4.6401 -4.6232 -4.6232 -4.4679 -4.4679 -4.4433 -4.4433 4.3485 4.3485 5.1399 5.1399 5.1496 5.1496 5.9603 5.9603 6.1123 6.1123 6.4666 6.4666 6.5618 6.5618 6.9834 6.9834 7.0341 7.0341 7.2184 7.2184 7.3877 7.3877 7.4384 7.4384 7.8497 7.8497 7.8698 7.8698 7.9293 7.9293 8.1310 8.1310 8.5481 8.5481 8.9275 8.9275 9.1191 9.1191 9.2326 9.2326 9.4753 9.4753 10.1209 10.1209 k = 0.2467 0.4272 0.2299 ( 4342 PWs) bands (ev): -19.7103 -19.7103 -19.7075 -19.7075 -6.5143 -6.5143 -6.5046 -6.5046 -4.6366 -4.6366 -4.6194 -4.6194 -4.4614 -4.4614 -4.4365 -4.4365 4.2788 4.2788 5.1644 5.1644 5.1729 5.1729 5.9643 5.9643 6.1100 6.1100 6.4897 6.4897 6.5591 6.5591 6.9709 6.9709 7.0358 7.0358 7.2249 7.2249 7.3716 7.3716 7.4308 7.4308 7.8162 7.8162 7.8529 7.8529 7.9062 7.9062 8.1346 8.1346 8.5101 8.5101 8.9954 8.9954 9.1537 9.1537 9.2709 9.2709 9.4850 9.4850 10.1177 10.1177 k = 0.2400 0.4157 0.2299 ( 4340 PWs) bands (ev): -19.7118 -19.7118 -19.7088 -19.7088 -6.5108 -6.5108 -6.5003 -6.5003 -4.6327 -4.6327 -4.6150 -4.6150 -4.4547 -4.4547 -4.4294 -4.4294 4.2076 4.2076 5.1897 5.1897 5.1974 5.1974 5.9691 5.9691 6.1083 6.1083 6.5092 6.5092 6.5639 6.5639 6.9577 6.9577 7.0375 7.0375 7.2300 7.2300 7.3537 7.3537 7.4233 7.4233 7.7815 7.7815 7.8351 7.8351 7.8830 7.8830 8.1387 8.1387 8.4657 8.4657 9.0608 9.0608 9.1817 9.1817 9.3225 9.3225 9.4980 9.4980 10.1180 10.1180 k = 0.2333 0.4041 0.2299 ( 4344 PWs) bands (ev): -19.7134 -19.7134 -19.7102 -19.7102 -6.5070 -6.5070 -6.4957 -6.4957 -4.6284 -4.6284 -4.6099 -4.6099 -4.4477 -4.4477 -4.4223 -4.4223 4.1354 4.1354 5.2156 5.2156 5.2230 5.2230 5.9746 5.9746 6.1072 6.1072 6.5228 6.5228 6.5778 6.5778 6.9440 6.9440 7.0392 7.0392 7.2330 7.2330 7.3342 7.3342 7.4166 7.4166 7.7462 7.7462 7.8163 7.8163 7.8593 7.8593 8.1429 8.1429 8.4171 8.4171 9.1207 9.1207 9.2063 9.2063 9.3812 9.3812 9.5158 9.5158 10.1234 10.1234 k = 0.2267 0.3926 0.2299 ( 4336 PWs) bands (ev): -19.7151 -19.7151 -19.7116 -19.7116 -6.5028 -6.5028 -6.4907 -6.4907 -4.6236 -4.6236 -4.6042 -4.6042 -4.4406 -4.4406 -4.4150 -4.4150 4.0625 4.0625 5.2422 5.2422 5.2497 5.2497 5.9810 5.9810 6.1069 6.1069 6.5323 6.5323 6.5985 6.5985 6.9301 6.9301 7.0409 7.0409 7.2333 7.2333 7.3134 7.3134 7.4113 7.4113 7.7108 7.7108 7.7965 7.7965 7.8352 7.8352 8.1474 8.1474 8.3657 8.3657 9.1713 9.1713 9.2311 9.2311 9.4407 9.4407 9.5406 9.5406 10.1356 10.1356 k = 0.2200 0.3811 0.2299 ( 4328 PWs) bands (ev): -19.7169 -19.7169 -19.7132 -19.7132 -6.4983 -6.4983 -6.4854 -6.4854 -4.6184 -4.6184 -4.5979 -4.5979 -4.4332 -4.4332 -4.4076 -4.4076 3.9893 3.9893 5.2695 5.2695 5.2772 5.2772 5.9883 5.9883 6.1074 6.1074 6.5409 6.5409 6.6224 6.6224 6.9163 6.9163 7.0425 7.0425 7.2302 7.2302 7.2915 7.2915 7.4080 7.4080 7.6756 7.6756 7.7757 7.7757 7.8106 7.8106 8.1521 8.1521 8.3129 8.3129 9.2091 9.2091 9.2578 9.2578 9.4968 9.4968 9.5741 9.5741 10.1566 10.1566 k = 0.2133 0.3695 0.2299 ( 4328 PWs) bands (ev): -19.7188 -19.7188 -19.7149 -19.7149 -6.4936 -6.4936 -6.4798 -6.4798 -4.6128 -4.6128 -4.5912 -4.5912 -4.4255 -4.4255 -4.4000 -4.4000 3.9161 3.9161 5.2974 5.2974 5.3056 5.3056 5.9964 5.9964 6.1086 6.1086 6.5500 6.5500 6.6470 6.6470 6.9024 6.9024 7.0439 7.0439 7.2234 7.2234 7.2685 7.2685 7.4069 7.4069 7.6406 7.6406 7.7539 7.7539 7.7854 7.7854 8.1564 8.1564 8.2599 8.2599 9.2341 9.2341 9.2853 9.2853 9.5460 9.5460 9.6164 9.6164 10.1881 10.1881 k = 0.2067 0.3580 0.2299 ( 4320 PWs) bands (ev): -19.7208 -19.7208 -19.7166 -19.7166 -6.4886 -6.4886 -6.4739 -6.4739 -4.6068 -4.6068 -4.5839 -4.5839 -4.4176 -4.4176 -4.3923 -4.3923 3.8432 3.8432 5.3262 5.3262 5.3348 5.3348 6.0054 6.0054 6.1109 6.1109 6.5601 6.5601 6.6712 6.6712 6.8886 6.8886 7.0450 7.0450 7.2129 7.2129 7.2449 7.2449 7.4081 7.4081 7.6060 7.6060 7.7312 7.7312 7.7598 7.7598 8.1587 8.1587 8.2094 8.2094 9.2480 9.2480 9.3126 9.3126 9.5868 9.5868 9.6648 9.6648 10.2309 10.2309 k = 0.2000 0.3464 0.2299 ( 4320 PWs) bands (ev): -19.7228 -19.7228 -19.7185 -19.7185 -6.4833 -6.4833 -6.4678 -6.4678 -4.6005 -4.6005 -4.5762 -4.5762 -4.4095 -4.4095 -4.3844 -4.3844 3.7709 3.7709 5.3555 5.3555 5.3647 5.3647 6.0154 6.0154 6.1140 6.1140 6.5713 6.5713 6.6942 6.6942 6.8752 6.8752 7.0454 7.0454 7.1988 7.1988 7.2210 7.2210 7.4109 7.4109 7.5720 7.5720 7.7076 7.7076 7.7339 7.7339 8.1424 8.1424 8.1788 8.1788 9.2511 9.2511 9.3410 9.3410 9.6188 9.6188 9.7148 9.7148 10.2847 10.2847 k = 0.1933 0.3349 0.2299 ( 4324 PWs) bands (ev): -19.7249 -19.7249 -19.7204 -19.7204 -6.4778 -6.4778 -6.4615 -6.4615 -4.5939 -4.5939 -4.5682 -4.5682 -4.4010 -4.4010 -4.3764 -4.3764 3.6994 3.6994 5.3855 5.3855 5.3951 5.3951 6.0262 6.0262 6.1183 6.1183 6.5833 6.5833 6.7151 6.7151 6.8624 6.8624 7.0448 7.0448 7.1816 7.1816 7.1973 7.1973 7.4147 7.4147 7.5387 7.5387 7.6831 7.6831 7.7077 7.7077 8.0981 8.0981 8.1784 8.1784 9.2444 9.2444 9.3716 9.3716 9.6426 9.6426 9.7629 9.7629 10.3474 10.3474 k = 0.1867 0.3233 0.2299 ( 4330 PWs) bands (ev): -19.7271 -19.7271 -19.7223 -19.7223 -6.4722 -6.4722 -6.4550 -6.4550 -4.5870 -4.5870 -4.5600 -4.5600 -4.3922 -4.3922 -4.3681 -4.3681 3.6289 3.6289 5.4161 5.4161 5.4260 5.4260 6.0378 6.0378 6.1235 6.1235 6.5960 6.5960 6.7332 6.7332 6.8505 6.8505 7.0424 7.0424 7.1616 7.1616 7.1746 7.1746 7.4187 7.4187 7.5065 7.5065 7.6576 7.6576 7.6816 7.6816 8.0523 8.0523 8.1827 8.1827 9.2292 9.2292 9.4048 9.4048 9.6595 9.6595 9.8068 9.8068 10.4153 10.4153 k = 0.1800 0.3118 0.2299 ( 4326 PWs) bands (ev): -19.7293 -19.7293 -19.7244 -19.7244 -6.4663 -6.4663 -6.4484 -6.4484 -4.5799 -4.5799 -4.5515 -4.5515 -4.3831 -4.3831 -4.3596 -4.3596 3.5597 3.5597 5.4473 5.4473 5.4574 5.4574 6.0505 6.0505 6.1300 6.1300 6.6089 6.6089 6.7473 6.7473 6.8401 6.8401 7.0371 7.0371 7.1405 7.1405 7.1529 7.1529 7.4214 7.4214 7.4759 7.4759 7.6312 7.6312 7.6562 7.6562 8.0098 8.0098 8.1878 8.1878 9.2068 9.2068 9.4404 9.4404 9.6711 9.6711 9.8461 9.8461 10.4839 10.4839 k = 0.1733 0.3002 0.2299 ( 4326 PWs) bands (ev): -19.7316 -19.7316 -19.7264 -19.7264 -6.4604 -6.4604 -6.4417 -6.4417 -4.5727 -4.5727 -4.5430 -4.5430 -4.3737 -4.3737 -4.3509 -4.3509 3.4917 3.4917 5.4791 5.4791 5.4893 5.4893 6.0640 6.0640 6.1377 6.1377 6.6216 6.6216 6.7561 6.7561 6.8319 6.8319 7.0271 7.0271 7.1201 7.1201 7.1325 7.1325 7.4191 7.4191 7.4500 7.4500 7.6037 7.6037 7.6321 7.6321 7.9721 7.9721 8.1932 8.1932 9.1783 9.1783 9.4783 9.4783 9.6787 9.6787 9.8815 9.8815 10.5554 10.5554 k = 0.1667 0.2887 0.2299 ( 4326 PWs) bands (ev): -19.7339 -19.7339 -19.7285 -19.7285 -6.4543 -6.4543 -6.4349 -6.4349 -4.5654 -4.5654 -4.5344 -4.5344 -4.3638 -4.3638 -4.3419 -4.3419 3.4254 3.4254 5.5113 5.5113 5.5215 5.5215 6.0785 6.0785 6.1467 6.1467 6.6337 6.6337 6.7589 6.7589 6.8260 6.8260 7.0111 7.0111 7.1000 7.1000 7.1155 7.1155 7.4022 7.4022 7.4375 7.4375 7.5751 7.5751 7.6100 7.6100 7.9402 7.9402 8.1987 8.1987 9.1450 9.1450 9.5181 9.5181 9.6840 9.6840 9.9147 9.9147 10.6329 10.6329 k = 0.1600 0.2771 0.2299 ( 4326 PWs) bands (ev): -19.7362 -19.7362 -19.7307 -19.7307 -6.4482 -6.4482 -6.4280 -6.4280 -4.5581 -4.5581 -4.5258 -4.5258 -4.3536 -4.3536 -4.3326 -4.3326 3.3607 3.3607 5.5439 5.5439 5.5541 5.5541 6.0938 6.0938 6.1569 6.1569 6.6444 6.6444 6.7566 6.7566 6.8210 6.8210 6.9893 6.9893 7.0781 7.0781 7.1044 7.1044 7.3760 7.3760 7.4319 7.4319 7.5456 7.5456 7.5909 7.5909 7.9148 7.9148 8.2041 8.2041 9.1077 9.1077 9.5589 9.5589 9.6883 9.6883 9.9470 9.9470 10.7157 10.7157 k = 0.1533 0.2656 0.2299 ( 4330 PWs) bands (ev): -19.7385 -19.7385 -19.7328 -19.7328 -6.4421 -6.4421 -6.4212 -6.4212 -4.5508 -4.5508 -4.5174 -4.5174 -4.3431 -4.3431 -4.3229 -4.3229 3.2979 3.2979 5.5769 5.5769 5.5869 5.5869 6.1100 6.1100 6.1683 6.1683 6.6526 6.6526 6.7511 6.7511 6.8145 6.8145 6.9639 6.9639 7.0548 7.0548 7.0977 7.0977 7.3484 7.3484 7.4240 7.4240 7.5155 7.5155 7.5759 7.5759 7.8964 7.8964 8.2096 8.2096 9.0675 9.0675 9.5988 9.5988 9.6944 9.6944 9.9799 9.9799 10.8014 10.8014 k = 0.1467 0.2540 0.2299 ( 4330 PWs) bands (ev): -19.7408 -19.7408 -19.7350 -19.7350 -6.4360 -6.4360 -6.4143 -6.4143 -4.5436 -4.5436 -4.5092 -4.5092 -4.3321 -4.3321 -4.3129 -4.3129 3.2369 3.2369 5.6102 5.6102 5.6199 5.6199 6.1271 6.1271 6.1811 6.1811 6.6573 6.6573 6.7444 6.7444 6.8044 6.8044 6.9377 6.9377 7.0309 7.0309 7.0935 7.0935 7.3213 7.3213 7.4115 7.4115 7.4851 7.4851 7.5654 7.5654 7.8851 7.8851 8.2149 8.2149 9.0254 9.0254 9.6317 9.6317 9.7085 9.7085 10.0140 10.0140 10.8862 10.8862 k = 0.1400 0.2425 0.2299 ( 4322 PWs) bands (ev): -19.7432 -19.7432 -19.7371 -19.7371 -6.4299 -6.4299 -6.4076 -6.4076 -4.5366 -4.5366 -4.5013 -4.5013 -4.3208 -4.3208 -4.3026 -4.3026 3.1780 3.1780 5.6438 5.6438 5.6530 5.6530 6.1450 6.1450 6.1951 6.1951 6.6573 6.6573 6.7352 6.7352 6.7912 6.7912 6.9128 6.9128 7.0068 7.0068 7.0908 7.0908 7.2951 7.2951 7.3943 7.3943 7.4545 7.4545 7.5591 7.5591 7.8807 7.8807 8.2203 8.2203 8.9820 8.9820 9.6494 9.6494 9.7390 9.7390 10.0500 10.0500 10.9602 10.9602 k = 0.1333 0.2309 0.2299 ( 4326 PWs) bands (ev): -19.7455 -19.7455 -19.7393 -19.7393 -6.4239 -6.4239 -6.4010 -6.4010 -4.5297 -4.5297 -4.4937 -4.4937 -4.3092 -4.3092 -4.2919 -4.2919 3.1212 3.1212 5.6774 5.6774 5.6863 5.6863 6.1637 6.1637 6.2104 6.2104 6.6523 6.6523 6.7184 6.7184 6.7803 6.7803 6.8900 6.8900 6.9828 6.9828 7.0889 7.0889 7.2700 7.2700 7.3729 7.3729 7.4239 7.4239 7.5559 7.5559 7.8830 7.8830 8.2256 8.2256 8.9383 8.9383 9.6549 9.6549 9.7832 9.7832 10.0880 10.0880 10.9985 10.9985 k = 0.1267 0.2194 0.2299 ( 4326 PWs) bands (ev): -19.7477 -19.7477 -19.7414 -19.7414 -6.4181 -6.4181 -6.3945 -6.3945 -4.5231 -4.5231 -4.4864 -4.4864 -4.2973 -4.2973 -4.2809 -4.2809 3.0667 3.0667 5.7113 5.7113 5.7196 5.7196 6.1831 6.1831 6.2269 6.2269 6.6432 6.6432 6.6897 6.6897 6.7759 6.7759 6.8688 6.8688 6.9596 6.9596 7.0876 7.0876 7.2459 7.2459 7.3487 7.3487 7.3933 7.3933 7.5546 7.5546 7.8911 7.8911 8.2307 8.2307 8.8947 8.8947 9.6551 9.6551 9.8339 9.8339 10.1282 10.1282 10.9932 10.9932 k = 0.1200 0.2078 0.2299 ( 4328 PWs) bands (ev): -19.7500 -19.7500 -19.7435 -19.7435 -6.4123 -6.4123 -6.3882 -6.3882 -4.5168 -4.5168 -4.4796 -4.4796 -4.2853 -4.2853 -4.2697 -4.2697 3.0144 3.0144 5.7452 5.7452 5.7529 5.7529 6.2033 6.2033 6.2447 6.2447 6.6311 6.6311 6.6520 6.6520 6.7752 6.7752 6.8484 6.8484 6.9379 6.9379 7.0868 7.0868 7.2230 7.2230 7.3225 7.3225 7.3628 7.3628 7.5544 7.5544 7.9045 7.9045 8.2358 8.2358 8.8520 8.8520 9.6531 9.6531 9.8880 9.8880 10.1706 10.1706 10.9687 10.9687 k = 0.1133 0.1963 0.2299 ( 4324 PWs) bands (ev): -19.7522 -19.7522 -19.7455 -19.7455 -6.4068 -6.4068 -6.3821 -6.3821 -4.5108 -4.5108 -4.4732 -4.4732 -4.2731 -4.2731 -4.2581 -4.2581 2.9646 2.9646 5.7791 5.7791 5.7863 5.7863 6.2241 6.2241 6.2637 6.2637 6.6080 6.6080 6.6182 6.6182 6.7739 6.7739 6.8279 6.8279 6.9189 6.9189 7.0861 7.0861 7.2012 7.2012 7.2950 7.2950 7.3326 7.3326 7.5545 7.5545 7.9221 7.9221 8.2407 8.2407 8.8105 8.8105 9.6500 9.6500 9.9442 9.9442 10.2151 10.2151 10.9395 10.9395 k = 0.1067 0.1848 0.2299 ( 4332 PWs) bands (ev): -19.7543 -19.7543 -19.7475 -19.7475 -6.4014 -6.4014 -6.3762 -6.3762 -4.5052 -4.5052 -4.4673 -4.4673 -4.2608 -4.2608 -4.2464 -4.2464 2.9171 2.9171 5.8129 5.8129 5.8195 5.8195 6.2454 6.2454 6.2838 6.2838 6.5627 6.5627 6.6027 6.6027 6.7689 6.7689 6.8070 6.8070 6.9039 6.9039 7.0854 7.0854 7.1805 7.1805 7.2668 7.2668 7.3027 7.3027 7.5544 7.5544 7.9432 7.9432 8.2456 8.2456 8.7708 8.7708 9.6463 9.6463 10.0018 10.0018 10.2614 10.2614 10.9098 10.9098 k = 0.1000 0.1732 0.2299 ( 4338 PWs) bands (ev): -19.7563 -19.7563 -19.7494 -19.7494 -6.3963 -6.3963 -6.3706 -6.3706 -4.4999 -4.4999 -4.4618 -4.4618 -4.2486 -4.2486 -4.2346 -4.2346 2.8722 2.8722 5.8467 5.8467 5.8527 5.8527 6.2672 6.2672 6.3050 6.3050 6.5159 6.5159 6.5868 6.5868 6.7584 6.7584 6.7856 6.7856 6.8941 6.8941 7.0845 7.0845 7.1606 7.1606 7.2385 7.2385 7.2733 7.2733 7.5540 7.5540 7.9670 7.9670 8.2504 8.2504 8.7330 8.7330 9.6421 9.6421 10.0600 10.0600 10.3092 10.3092 10.8813 10.8814 k = 0.0933 0.1617 0.2299 ( 4334 PWs) bands (ev): -19.7583 -19.7583 -19.7513 -19.7513 -6.3914 -6.3914 -6.3653 -6.3653 -4.4950 -4.4950 -4.4567 -4.4567 -4.2366 -4.2366 -4.2228 -4.2228 2.8299 2.8299 5.8803 5.8803 5.8859 5.8859 6.2893 6.2893 6.3272 6.3272 6.4690 6.4690 6.5706 6.5706 6.7420 6.7420 6.7637 6.7637 6.8893 6.8893 7.0829 7.0829 7.1414 7.1414 7.2107 7.2107 7.2448 7.2448 7.5531 7.5531 7.9927 7.9927 8.2552 8.2552 8.6977 8.6977 9.6377 9.6377 10.1183 10.1183 10.3584 10.3584 10.8548 10.8548 k = 0.0867 0.1501 0.2299 ( 4316 PWs) bands (ev): -19.7602 -19.7602 -19.7530 -19.7530 -6.3868 -6.3868 -6.3602 -6.3602 -4.4904 -4.4904 -4.4521 -4.4521 -4.2248 -4.2248 -4.2111 -4.2111 2.7902 2.7902 5.9138 5.9138 5.9190 5.9190 6.3112 6.3112 6.3503 6.3503 6.4235 6.4235 6.5543 6.5543 6.7214 6.7214 6.7409 6.7409 6.8881 6.8881 7.0801 7.0801 7.1224 7.1224 7.1844 7.1844 7.2176 7.2176 7.5517 7.5517 8.0194 8.0194 8.2599 8.2599 8.6648 8.6648 9.6331 9.6331 10.1759 10.1759 10.4084 10.4084 10.8306 10.8306 k = 0.0800 0.1386 0.2299 ( 4318 PWs) bands (ev): -19.7620 -19.7620 -19.7547 -19.7547 -6.3825 -6.3825 -6.3555 -6.3555 -4.4862 -4.4862 -4.4479 -4.4479 -4.2133 -4.2133 -4.1997 -4.1997 2.7533 2.7533 5.9469 5.9469 5.9519 5.9519 6.3301 6.3301 6.3721 6.3721 6.3842 6.3842 6.5381 6.5381 6.6983 6.6983 6.7172 6.7172 6.8889 6.8889 7.0748 7.0748 7.1027 7.1027 7.1608 7.1608 7.1923 7.1923 7.5496 7.5496 8.0464 8.0464 8.2647 8.2647 8.6346 8.6346 9.6285 9.6285 10.2319 10.2319 10.4587 10.4587 10.8093 10.8093 k = 0.0733 0.1270 0.2299 ( 4308 PWs) bands (ev): -19.7636 -19.7636 -19.7563 -19.7563 -6.3785 -6.3785 -6.3511 -6.3511 -4.4824 -4.4824 -4.4441 -4.4441 -4.2023 -4.2023 -4.1886 -4.1886 2.7191 2.7191 5.9799 5.9799 5.9848 5.9848 6.3229 6.3229 6.3677 6.3677 6.3996 6.3996 6.5224 6.5224 6.6736 6.6736 6.6929 6.6929 6.8904 6.8904 7.0650 7.0650 7.0818 7.0818 7.1417 7.1417 7.1702 7.1702 7.5471 7.5471 8.0731 8.0731 8.2696 8.2696 8.6072 8.6072 9.6239 9.6239 10.2852 10.2852 10.5089 10.5089 10.7915 10.7915 k = 0.0667 0.1155 0.2299 ( 4308 PWs) bands (ev): -19.7652 -19.7652 -19.7577 -19.7577 -6.3747 -6.3747 -6.3471 -6.3471 -4.4790 -4.4790 -4.4408 -4.4408 -4.1918 -4.1918 -4.1779 -4.1779 2.6876 2.6876 6.0124 6.0124 6.0174 6.0174 6.2868 6.2868 6.3851 6.3851 6.4241 6.4241 6.5074 6.5074 6.6482 6.6482 6.6686 6.6686 6.8917 6.8917 7.0472 7.0472 7.0618 7.0618 7.1274 7.1274 7.1526 7.1526 7.5442 7.5442 8.0988 8.0988 8.2746 8.2746 8.5825 8.5825 9.6193 9.6193 10.3345 10.3345 10.5583 10.5583 10.7779 10.7779 k = 0.0600 0.1039 0.2299 ( 4312 PWs) bands (ev): -19.7666 -19.7666 -19.7591 -19.7591 -6.3714 -6.3714 -6.3434 -6.3434 -4.4759 -4.4759 -4.4378 -4.4378 -4.1820 -4.1820 -4.1679 -4.1679 2.6591 2.6591 6.0445 6.0445 6.0498 6.0498 6.2495 6.2495 6.4050 6.4050 6.4479 6.4479 6.4941 6.4941 6.6225 6.6225 6.6451 6.6451 6.8923 6.8923 7.0219 7.0219 7.0426 7.0426 7.1170 7.1170 7.1401 7.1401 7.5409 7.5409 8.1229 8.1229 8.2800 8.2800 8.5605 8.5605 9.6149 9.6149 10.3782 10.3782 10.6060 10.6060 10.7694 10.7694 k = 0.0533 0.0924 0.2299 ( 4318 PWs) bands (ev): -19.7679 -19.7679 -19.7603 -19.7603 -6.3683 -6.3683 -6.3401 -6.3401 -4.4731 -4.4731 -4.4351 -4.4351 -4.1729 -4.1729 -4.1585 -4.1585 2.6334 2.6334 6.0763 6.0763 6.0820 6.0820 6.2147 6.2147 6.4233 6.4233 6.4646 6.4646 6.4880 6.4880 6.5976 6.5976 6.6237 6.6237 6.8916 6.8916 6.9935 6.9935 7.0221 7.0221 7.1089 7.1089 7.1324 7.1324 7.5375 7.5375 8.1449 8.1449 8.2858 8.2858 8.5412 8.5412 9.6108 9.6108 10.4149 10.4149 10.6514 10.6514 10.7665 10.7665 k = 0.0467 0.0808 0.2299 ( 4318 PWs) bands (ev): -19.7691 -19.7691 -19.7614 -19.7614 -6.3656 -6.3656 -6.3371 -6.3371 -4.4707 -4.4707 -4.4328 -4.4328 -4.1646 -4.1646 -4.1500 -4.1500 2.6106 2.6106 6.1076 6.1076 6.1140 6.1140 6.1831 6.1831 6.4374 6.4374 6.4607 6.4607 6.5002 6.5002 6.5763 6.5763 6.6063 6.6063 6.8896 6.8896 6.9638 6.9638 7.0007 7.0007 7.1028 7.1028 7.1279 7.1279 7.5341 7.5341 8.1642 8.1642 8.2920 8.2920 8.5245 8.5245 9.6069 9.6069 10.4434 10.4434 10.6934 10.6934 10.7695 10.7696 k = 0.0400 0.0693 0.2299 ( 4318 PWs) bands (ev): -19.7701 -19.7701 -19.7624 -19.7624 -6.3632 -6.3632 -6.3346 -6.3346 -4.4687 -4.4687 -4.4309 -4.4309 -4.1572 -4.1572 -4.1424 -4.1424 2.5908 2.5908 6.1382 6.1382 6.1454 6.1454 6.1556 6.1556 6.4438 6.4438 6.4514 6.4514 6.5064 6.5064 6.5682 6.5682 6.5958 6.5958 6.8856 6.8856 6.9337 6.9337 6.9801 6.9801 7.0982 7.0982 7.1253 7.1253 7.5308 7.5308 8.1804 8.1804 8.2986 8.2986 8.5104 8.5104 9.6033 9.6033 10.4636 10.4636 10.7308 10.7308 10.7776 10.7776 k = 0.0333 0.0577 0.2299 ( 4328 PWs) bands (ev): -19.7710 -19.7710 -19.7632 -19.7632 -6.3612 -6.3612 -6.3324 -6.3324 -4.4670 -4.4670 -4.4293 -4.4293 -4.1508 -4.1508 -4.1359 -4.1359 2.5740 2.5740 6.1305 6.1305 6.1689 6.1689 6.1770 6.1770 6.4389 6.4389 6.4438 6.4438 6.4928 6.4928 6.5796 6.5796 6.5955 6.5955 6.8793 6.8793 6.9036 6.9036 6.9618 6.9618 7.0950 7.0950 7.1238 7.1238 7.5278 7.5278 8.1936 8.1936 8.3054 8.3054 8.4986 8.4986 9.6002 9.6002 10.4765 10.4765 10.7624 10.7624 10.7884 10.7884 k = 0.0267 0.0462 0.2299 ( 4340 PWs) bands (ev): -19.7717 -19.7717 -19.7639 -19.7639 -6.3596 -6.3596 -6.3306 -6.3306 -4.4655 -4.4655 -4.4279 -4.4279 -4.1455 -4.1455 -4.1304 -4.1304 2.5602 2.5602 6.1106 6.1106 6.1980 6.1980 6.2079 6.2079 6.4279 6.4279 6.4339 6.4339 6.4703 6.4703 6.5940 6.5940 6.6098 6.6098 6.8703 6.8703 6.8739 6.8739 6.9471 6.9471 7.0927 7.0927 7.1229 7.1229 7.5251 7.5251 8.2036 8.2036 8.3120 8.3120 8.4892 8.4892 9.5975 9.5975 10.4838 10.4838 10.7867 10.7867 10.7989 10.7989 k = 0.0200 0.0346 0.2299 ( 4348 PWs) bands (ev): -19.7723 -19.7723 -19.7644 -19.7644 -6.3583 -6.3583 -6.3292 -6.3292 -4.4645 -4.4645 -4.4269 -4.4269 -4.1413 -4.1413 -4.1260 -4.1260 2.5495 2.5495 6.0948 6.0948 6.2255 6.2255 6.2382 6.2382 6.4094 6.4094 6.4262 6.4262 6.4466 6.4466 6.6062 6.6062 6.6331 6.6331 6.8453 6.8453 6.8593 6.8593 6.9368 6.9368 7.0913 7.0913 7.1224 7.1224 7.5229 7.5229 8.2109 8.2109 8.3179 8.3179 8.4820 8.4820 9.5954 9.5954 10.4875 10.4875 10.8030 10.8030 10.8068 10.8068 k = 0.0133 0.0231 0.2299 ( 4364 PWs) bands (ev): -19.7727 -19.7727 -19.7648 -19.7648 -6.3573 -6.3573 -6.3282 -6.3282 -4.4637 -4.4637 -4.4262 -4.4262 -4.1383 -4.1383 -4.1229 -4.1229 2.5418 2.5418 6.0835 6.0835 6.2499 6.2499 6.2676 6.2676 6.3865 6.3865 6.4194 6.4194 6.4259 6.4259 6.6175 6.6175 6.6567 6.6567 6.8190 6.8190 6.8483 6.8483 6.9304 6.9304 7.0903 7.0903 7.1220 7.1220 7.5213 7.5213 8.2158 8.2158 8.3225 8.3225 8.4768 8.4768 9.5939 9.5939 10.4890 10.4890 10.8110 10.8110 10.8122 10.8122 k = 0.0067 0.0115 0.2299 ( 4360 PWs) bands (ev): -19.7729 -19.7729 -19.7650 -19.7650 -6.3568 -6.3568 -6.3276 -6.3276 -4.4632 -4.4632 -4.4258 -4.4258 -4.1364 -4.1364 -4.1210 -4.1210 2.5371 2.5371 6.0766 6.0766 6.2684 6.2684 6.2949 6.2949 6.3624 6.3624 6.4056 6.4056 6.4194 6.4194 6.6258 6.6258 6.6762 6.6762 6.7983 6.7983 6.8402 6.8402 6.9270 6.9270 7.0900 7.0900 7.1219 7.1219 7.5203 7.5203 8.2187 8.2187 8.3256 8.3256 8.4738 8.4738 9.5929 9.5929 10.4896 10.4896 10.8128 10.8128 10.8160 10.8160 k = 0.0000 0.0000 0.2299 ( 4356 PWs) bands (ev): -19.7730 -19.7730 -19.7651 -19.7651 -6.3566 -6.3566 -6.3274 -6.3274 -4.4631 -4.4631 -4.4256 -4.4256 -4.1358 -4.1358 -4.1203 -4.1203 2.5356 2.5356 6.0744 6.0744 6.2758 6.2758 6.3112 6.3112 6.3472 6.3472 6.3989 6.3989 6.4182 6.4182 6.6288 6.6288 6.6844 6.6844 6.7897 6.7897 6.8371 6.8371 6.9260 6.9260 7.0899 7.0899 7.1218 7.1218 7.5199 7.5199 8.2197 8.2197 8.3267 8.3267 8.4728 8.4728 9.5926 9.5926 10.4897 10.4897 10.8133 10.8133 10.8170 10.8170 k = 0.5000 0.2887 0.2299 ( 4324 PWs) bands (ev): -19.7095 -19.7095 -19.7069 -19.7069 -6.5250 -6.5250 -6.5186 -6.5186 -4.6875 -4.6875 -4.6850 -4.6850 -4.3842 -4.3842 -4.3556 -4.3556 4.7890 4.7890 4.9268 4.9268 4.9797 4.9797 5.8622 5.8622 6.2064 6.2064 6.2869 6.2869 6.3177 6.3177 6.5180 6.5180 6.9312 6.9312 6.9941 6.9941 7.2670 7.2670 7.7598 7.7598 7.8937 7.8937 8.0162 8.0162 8.1855 8.1855 8.3583 8.3583 8.6387 8.6387 8.8123 8.8123 8.8603 8.8603 9.1432 9.1432 9.4872 9.4872 10.2830 10.2830 k = 0.5000 0.2887 0.2171 ( 4334 PWs) bands (ev): -19.7095 -19.7095 -19.7069 -19.7069 -6.5250 -6.5250 -6.5186 -6.5186 -4.6877 -4.6877 -4.6849 -4.6849 -4.3843 -4.3843 -4.3556 -4.3556 4.7891 4.7891 4.9271 4.9271 4.9796 4.9796 5.8624 5.8624 6.2062 6.2062 6.2864 6.2864 6.3177 6.3177 6.5180 6.5180 6.9301 6.9301 6.9954 6.9954 7.2665 7.2665 7.7597 7.7597 7.8937 7.8937 8.0161 8.0161 8.1860 8.1860 8.3586 8.3586 8.6398 8.6398 8.8077 8.8077 8.8599 8.8599 9.1481 9.1481 9.4862 9.4862 10.2768 10.2768 k = 0.5000 0.2887 0.2043 ( 4330 PWs) bands (ev): -19.7096 -19.7096 -19.7068 -19.7068 -6.5251 -6.5251 -6.5185 -6.5185 -4.6879 -4.6879 -4.6846 -4.6846 -4.3846 -4.3846 -4.3554 -4.3554 4.7893 4.7893 4.9282 4.9282 4.9796 4.9796 5.8626 5.8626 6.2058 6.2058 6.2851 6.2851 6.3177 6.3177 6.5178 6.5178 6.9275 6.9275 6.9992 6.9992 7.2654 7.2654 7.7596 7.7596 7.8939 7.8939 8.0161 8.0161 8.1874 8.1874 8.3595 8.3595 8.6432 8.6432 8.7945 8.7945 8.8592 8.8592 9.1616 9.1616 9.4831 9.4831 10.2589 10.2589 k = 0.5000 0.2887 0.1916 ( 4336 PWs) bands (ev): -19.7096 -19.7096 -19.7068 -19.7068 -6.5252 -6.5252 -6.5183 -6.5183 -4.6883 -4.6883 -4.6842 -4.6842 -4.3851 -4.3851 -4.3551 -4.3551 4.7897 4.7897 4.9299 4.9299 4.9797 4.9797 5.8630 5.8630 6.2051 6.2051 6.2828 6.2828 6.3177 6.3177 6.5174 6.5174 6.9240 6.9240 7.0047 7.0047 7.2636 7.2636 7.7594 7.7594 7.8942 7.8942 8.0162 8.0162 8.1896 8.1896 8.3610 8.3610 8.6486 8.6486 8.7749 8.7749 8.8586 8.8586 9.1811 9.1811 9.4780 9.4780 10.2311 10.2311 k = 0.5000 0.2887 0.1788 ( 4334 PWs) bands (ev): -19.7096 -19.7096 -19.7068 -19.7068 -6.5254 -6.5254 -6.5181 -6.5181 -4.6886 -4.6886 -4.6837 -4.6837 -4.3857 -4.3857 -4.3547 -4.3547 4.7903 4.7903 4.9321 4.9321 4.9798 4.9798 5.8635 5.8635 6.2042 6.2042 6.2799 6.2799 6.3178 6.3178 6.5168 6.5168 6.9202 6.9202 7.0113 7.0113 7.2610 7.2610 7.7591 7.7591 7.8945 7.8945 8.0162 8.0162 8.1926 8.1926 8.3632 8.3632 8.6556 8.6556 8.7519 8.7519 8.8582 8.8582 9.2038 9.2038 9.4713 9.4713 10.1958 10.1958 k = 0.5000 0.2887 0.1660 ( 4346 PWs) bands (ev): -19.7097 -19.7097 -19.7067 -19.7067 -6.5256 -6.5256 -6.5179 -6.5179 -4.6890 -4.6890 -4.6831 -4.6831 -4.3864 -4.3864 -4.3543 -4.3543 4.7912 4.7912 4.9347 4.9347 4.9799 4.9799 5.8641 5.8641 6.2029 6.2029 6.2766 6.2766 6.3178 6.3178 6.5158 6.5158 6.9167 6.9167 7.0181 7.0181 7.2579 7.2579 7.7587 7.7587 7.8949 7.8949 8.0162 8.0162 8.1963 8.1963 8.3658 8.3658 8.6633 8.6633 8.7284 8.7284 8.8579 8.8579 9.2274 9.2274 9.4631 9.4631 10.1550 10.1550 k = 0.5000 0.2887 0.1533 ( 4348 PWs) bands (ev): -19.7098 -19.7098 -19.7066 -19.7066 -6.5258 -6.5258 -6.5176 -6.5176 -4.6894 -4.6894 -4.6826 -4.6826 -4.3872 -4.3872 -4.3538 -4.3538 4.7923 4.7923 4.9376 4.9376 4.9800 4.9800 5.8648 5.8648 6.2013 6.2013 6.2731 6.2731 6.3178 6.3178 6.5146 6.5146 6.9138 6.9138 7.0249 7.0249 7.2545 7.2545 7.7583 7.7583 7.8954 7.8954 8.0163 8.0163 8.2003 8.2003 8.3687 8.3687 8.6683 8.6683 8.7092 8.7092 8.8577 8.8577 9.2504 9.2504 9.4538 9.4538 10.1108 10.1108 k = 0.5000 0.2887 0.1405 ( 4346 PWs) bands (ev): -19.7098 -19.7098 -19.7066 -19.7066 -6.5261 -6.5261 -6.5173 -6.5173 -4.6897 -4.6897 -4.6821 -4.6821 -4.3881 -4.3881 -4.3533 -4.3533 4.7937 4.7937 4.9406 4.9406 4.9802 4.9802 5.8656 5.8656 6.1995 6.1995 6.2694 6.2694 6.3178 6.3178 6.5129 6.5129 6.9117 6.9117 7.0314 7.0314 7.2508 7.2508 7.7578 7.7578 7.8959 7.8959 8.0163 8.0163 8.2047 8.2047 8.3718 8.3718 8.6620 8.6620 8.7040 8.7040 8.8576 8.8576 9.2716 9.2716 9.4436 9.4436 10.0645 10.0645 k = 0.5000 0.2887 0.1277 ( 4346 PWs) bands (ev): -19.7099 -19.7099 -19.7065 -19.7065 -6.5263 -6.5263 -6.5170 -6.5170 -4.6900 -4.6900 -4.6816 -4.6816 -4.3890 -4.3890 -4.3528 -4.3528 4.7954 4.7954 4.9436 4.9436 4.9804 4.9804 5.8664 5.8664 6.1974 6.1974 6.2660 6.2660 6.3177 6.3177 6.5109 6.5109 6.9105 6.9105 7.0373 7.0373 7.2470 7.2470 7.7574 7.7574 7.8964 7.8964 8.0164 8.0164 8.2093 8.2093 8.3748 8.3748 8.6462 8.6462 8.7112 8.7112 8.8575 8.8575 9.2906 9.2906 9.4329 9.4329 10.0175 10.0175 k = 0.5000 0.2887 0.1149 ( 4346 PWs) bands (ev): -19.7099 -19.7099 -19.7065 -19.7065 -6.5265 -6.5265 -6.5167 -6.5167 -4.6903 -4.6903 -4.6811 -4.6811 -4.3899 -4.3899 -4.3523 -4.3523 4.7973 4.7973 4.9465 4.9465 4.9805 4.9805 5.8673 5.8673 6.1951 6.1951 6.2627 6.2627 6.3177 6.3177 6.5085 6.5085 6.9101 6.9101 7.0425 7.0425 7.2431 7.2431 7.7569 7.7569 7.8968 7.8968 8.0165 8.0165 8.2139 8.2139 8.3774 8.3774 8.6304 8.6304 8.7217 8.7217 8.8575 8.8575 9.3071 9.3071 9.4221 9.4221 9.9707 9.9707 k = 0.5000 0.2887 0.1022 ( 4346 PWs) bands (ev): -19.7100 -19.7100 -19.7064 -19.7064 -6.5267 -6.5267 -6.5164 -6.5164 -4.6906 -4.6906 -4.6806 -4.6806 -4.3908 -4.3908 -4.3518 -4.3518 4.7994 4.7994 4.9492 4.9492 4.9806 4.9806 5.8681 5.8681 6.1928 6.1928 6.2599 6.2599 6.3176 6.3176 6.5058 6.5058 6.9104 6.9104 7.0470 7.0470 7.2393 7.2393 7.7564 7.7564 7.8973 7.8973 8.0167 8.0167 8.2184 8.2184 8.3791 8.3791 8.6177 8.6177 8.7323 8.7323 8.8575 8.8575 9.3216 9.3216 9.4115 9.4115 9.9248 9.9248 k = 0.5000 0.2887 0.0894 ( 4346 PWs) bands (ev): -19.7101 -19.7101 -19.7063 -19.7063 -6.5269 -6.5269 -6.5162 -6.5162 -4.6908 -4.6908 -4.6802 -4.6802 -4.3916 -4.3916 -4.3514 -4.3514 4.8016 4.8016 4.9516 4.9516 4.9807 4.9807 5.8690 5.8690 6.1903 6.1903 6.2574 6.2574 6.3175 6.3175 6.5030 6.5030 6.9114 6.9114 7.0507 7.0507 7.2357 7.2357 7.7560 7.7560 7.8976 7.8976 8.0168 8.0168 8.2227 8.2227 8.3798 8.3798 8.6092 8.6092 8.7416 8.7416 8.8575 8.8575 9.3346 9.3346 9.4015 9.4015 9.8803 9.8803 k = 0.5000 0.2887 0.0766 ( 4346 PWs) bands (ev): -19.7101 -19.7101 -19.7063 -19.7063 -6.5271 -6.5271 -6.5160 -6.5160 -4.6910 -4.6910 -4.6798 -4.6798 -4.3923 -4.3923 -4.3510 -4.3510 4.8039 4.8039 4.9537 4.9537 4.9808 4.9808 5.8698 5.8698 6.1880 6.1880 6.2553 6.2553 6.3174 6.3174 6.5003 6.5003 6.9128 6.9128 7.0537 7.0537 7.2324 7.2324 7.7555 7.7555 7.8979 7.8979 8.0168 8.0168 8.2268 8.2268 8.3792 8.3792 8.6052 8.6052 8.7487 8.7487 8.8575 8.8575 9.3466 9.3466 9.3925 9.3925 9.8380 9.8380 k = 0.5000 0.2887 0.0639 ( 4338 PWs) bands (ev): -19.7102 -19.7102 -19.7062 -19.7062 -6.5272 -6.5272 -6.5158 -6.5158 -4.6911 -4.6911 -4.6795 -4.6795 -4.3930 -4.3930 -4.3507 -4.3507 4.8061 4.8061 4.9555 4.9555 4.9809 4.9809 5.8705 5.8705 6.1858 6.1858 6.2536 6.2536 6.3173 6.3173 6.4976 6.4976 6.9145 6.9145 7.0561 7.0561 7.2295 7.2295 7.7551 7.7551 7.8982 7.8982 8.0169 8.0169 8.2305 8.2305 8.3777 8.3777 8.6052 8.6052 8.7531 8.7531 8.8574 8.8574 9.3576 9.3576 9.3854 9.3854 9.7983 9.7983 k = 0.5000 0.2887 0.0511 ( 4336 PWs) bands (ev): -19.7102 -19.7102 -19.7062 -19.7062 -6.5273 -6.5273 -6.5156 -6.5156 -4.6913 -4.6913 -4.6792 -4.6792 -4.3936 -4.3936 -4.3504 -4.3504 4.8081 4.8081 4.9569 4.9569 4.9808 4.9808 5.8712 5.8712 6.1838 6.1838 6.2522 6.2522 6.3172 6.3172 6.4952 6.4952 6.9163 6.9163 7.0579 7.0579 7.2269 7.2269 7.7548 7.7548 7.8984 7.8984 8.0171 8.0171 8.2336 8.2336 8.3753 8.3753 8.6086 8.6086 8.7548 8.7548 8.8574 8.8574 9.3650 9.3650 9.3835 9.3835 9.7621 9.7621 k = 0.5000 0.2887 0.0383 ( 4330 PWs) bands (ev): -19.7102 -19.7102 -19.7062 -19.7062 -6.5274 -6.5274 -6.5155 -6.5155 -4.6914 -4.6914 -4.6790 -4.6790 -4.3940 -4.3940 -4.3502 -4.3502 4.8098 4.8098 4.9581 4.9581 4.9808 4.9808 5.8716 5.8716 6.1823 6.1823 6.2513 6.2513 6.3171 6.3171 6.4931 6.4931 6.9178 6.9178 7.0591 7.0591 7.2248 7.2248 7.7546 7.7546 7.8986 7.8986 8.0172 8.0172 8.2363 8.2363 8.3728 8.3728 8.6139 8.6139 8.7542 8.7542 8.8574 8.8574 9.3646 9.3646 9.3905 9.3905 9.7306 9.7306 k = 0.5000 0.2887 0.0255 ( 4334 PWs) bands (ev): -19.7103 -19.7103 -19.7061 -19.7061 -6.5275 -6.5275 -6.5154 -6.5154 -4.6914 -4.6914 -4.6788 -4.6788 -4.3944 -4.3944 -4.3500 -4.3500 4.8111 4.8111 4.9589 4.9589 4.9807 4.9807 5.8720 5.8720 6.1811 6.1811 6.2506 6.2506 6.3170 6.3170 6.4916 6.4916 6.9190 6.9190 7.0599 7.0599 7.2233 7.2233 7.7543 7.7543 7.8986 7.8986 8.0173 8.0173 8.2382 8.2382 8.3706 8.3706 8.6197 8.6197 8.7522 8.7522 8.8573 8.8573 9.3617 9.3617 9.4003 9.4003 9.7054 9.7054 k = 0.5000 0.2887 0.0128 ( 4334 PWs) bands (ev): -19.7103 -19.7103 -19.7061 -19.7061 -6.5276 -6.5276 -6.5153 -6.5153 -4.6915 -4.6915 -4.6787 -4.6787 -4.3946 -4.3946 -4.3499 -4.3499 4.8119 4.8119 4.9594 4.9594 4.9807 4.9807 5.8722 5.8722 6.1804 6.1804 6.2502 6.2502 6.3170 6.3170 6.4907 6.4907 6.9199 6.9199 7.0604 7.0604 7.2224 7.2224 7.7541 7.7541 7.8986 7.8986 8.0172 8.0172 8.2394 8.2394 8.3691 8.3691 8.6242 8.6242 8.7501 8.7501 8.8573 8.8573 9.3596 9.3596 9.4079 9.4079 9.6889 9.6889 k = 0.5000 0.2887-0.0000 ( 4330 PWs) bands (ev): -19.7103 -19.7103 -19.7061 -19.7061 -6.5276 -6.5276 -6.5153 -6.5153 -4.6915 -4.6915 -4.6787 -4.6787 -4.3946 -4.3946 -4.3499 -4.3499 4.8121 4.8121 4.9595 4.9595 4.9807 4.9807 5.8723 5.8723 6.1802 6.1802 6.2501 6.2501 6.3170 6.3170 6.4903 6.4903 6.9202 6.9202 7.0606 7.0606 7.2221 7.2221 7.7541 7.7541 7.8987 7.8987 8.0172 8.0172 8.2398 8.2398 8.3686 8.3686 8.6259 8.6259 8.7493 8.7493 8.8573 8.8573 9.3588 9.3588 9.4108 9.4108 9.6831 9.6831 k = 0.3333 0.5774-0.0000 ( 4356 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5314 -6.5314 -6.5297 -6.5297 -4.6388 -4.6388 -4.6307 -4.6307 -4.5164 -4.5164 -4.5102 -4.5102 4.8744 4.8744 4.9694 4.9694 4.9791 4.9791 5.9869 5.9869 6.1667 6.1667 6.1946 6.1946 6.7994 6.7994 7.0076 7.0076 7.0317 7.0317 7.3310 7.3310 7.3467 7.3467 7.4226 7.4226 7.9571 7.9571 8.0494 8.0494 8.0571 8.0571 8.3016 8.3016 8.3657 8.3657 8.3737 8.3737 9.0542 9.0542 9.4826 9.4826 9.5587 9.5587 10.0144 10.0144 k = 0.3333 0.5774 0.0128 ( 4356 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5314 -6.5314 -6.5297 -6.5297 -4.6389 -4.6389 -4.6307 -4.6307 -4.5164 -4.5164 -4.5101 -4.5101 4.8744 4.8744 4.9693 4.9693 4.9790 4.9790 5.9866 5.9866 6.1669 6.1669 6.1948 6.1948 6.7998 6.7998 7.0075 7.0075 7.0314 7.0314 7.3308 7.3308 7.3465 7.3465 7.4227 7.4227 7.9571 7.9571 8.0494 8.0494 8.0571 8.0571 8.3016 8.3016 8.3657 8.3657 8.3737 8.3737 9.0540 9.0540 9.4805 9.4805 9.5572 9.5572 10.0151 10.0151 k = 0.3333 0.5774 0.0255 ( 4344 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5314 -6.5314 -6.5297 -6.5297 -4.6393 -4.6393 -4.6306 -4.6306 -4.5164 -4.5164 -4.5097 -4.5097 4.8746 4.8746 4.9690 4.9690 4.9786 4.9786 5.9858 5.9858 6.1675 6.1675 6.1955 6.1955 6.8010 6.8010 7.0069 7.0069 7.0305 7.0305 7.3303 7.3303 7.3461 7.3461 7.4229 7.4229 7.9571 7.9571 8.0495 8.0495 8.0572 8.0572 8.3017 8.3017 8.3658 8.3658 8.3737 8.3737 9.0535 9.0535 9.4744 9.4744 9.5528 9.5528 10.0171 10.0171 k = 0.3333 0.5774 0.0383 ( 4329 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5315 -6.5315 -6.5297 -6.5297 -4.6398 -4.6398 -4.6306 -4.6306 -4.5164 -4.5164 -4.5092 -4.5092 4.8749 4.8749 4.9685 4.9685 4.9780 4.9780 5.9845 5.9845 6.1685 6.1685 6.1967 6.1967 6.8030 6.8030 7.0059 7.0059 7.0290 7.0290 7.3295 7.3295 7.3455 7.3455 7.4232 7.4232 7.9572 7.9572 8.0496 8.0496 8.0572 8.0572 8.3017 8.3017 8.3658 8.3658 8.3737 8.3737 9.0526 9.0526 9.4648 9.4648 9.5458 9.5458 10.0204 10.0204 k = 0.3333 0.5774 0.0511 ( 4329 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5315 -6.5315 -6.5297 -6.5297 -4.6406 -4.6406 -4.6305 -4.6305 -4.5163 -4.5163 -4.5084 -4.5084 4.8752 4.8752 4.9677 4.9677 4.9772 4.9772 5.9828 5.9828 6.1699 6.1699 6.1982 6.1982 6.8056 6.8056 7.0045 7.0045 7.0269 7.0269 7.3284 7.3284 7.3446 7.3446 7.4236 7.4236 7.9572 7.9572 8.0496 8.0496 8.0572 8.0572 8.3017 8.3017 8.3658 8.3658 8.3737 8.3737 9.0513 9.0513 9.4523 9.4523 9.5367 9.5367 10.0251 10.0251 k = 0.3333 0.5774 0.0639 ( 4323 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5315 -6.5315 -6.5297 -6.5297 -4.6414 -4.6414 -4.6305 -4.6305 -4.5162 -4.5162 -4.5075 -4.5075 4.8757 4.8757 4.9669 4.9669 4.9762 4.9762 5.9806 5.9806 6.1716 6.1716 6.2001 6.2001 6.8089 6.8089 7.0028 7.0028 7.0243 7.0243 7.3270 7.3270 7.3434 7.3434 7.4241 7.4241 7.9572 7.9572 8.0497 8.0497 8.0572 8.0572 8.3018 8.3018 8.3658 8.3658 8.3737 8.3737 9.0498 9.0498 9.4376 9.4376 9.5260 9.5260 10.0312 10.0312 k = 0.3333 0.5774 0.0766 ( 4326 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5316 -6.5316 -6.5297 -6.5297 -4.6424 -4.6424 -4.6304 -4.6304 -4.5161 -4.5161 -4.5065 -4.5065 4.8762 4.8762 4.9658 4.9658 4.9750 4.9750 5.9780 5.9780 6.1735 6.1735 6.2023 6.2023 6.8127 6.8127 7.0008 7.0008 7.0212 7.0212 7.3255 7.3255 7.3422 7.3422 7.4246 7.4246 7.9572 7.9572 8.0497 8.0497 8.0572 8.0572 8.3018 8.3018 8.3658 8.3658 8.3736 8.3736 9.0480 9.0480 9.4216 9.4216 9.5143 9.5143 10.0386 10.0386 k = 0.3333 0.5774 0.0894 ( 4326 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5316 -6.5316 -6.5297 -6.5297 -4.6435 -4.6435 -4.6304 -4.6304 -4.5160 -4.5160 -4.5054 -4.5054 4.8768 4.8768 4.9647 4.9647 4.9737 4.9737 5.9753 5.9753 6.1757 6.1757 6.2047 6.2047 6.8168 6.8168 6.9986 6.9986 7.0178 7.0178 7.3238 7.3238 7.3408 7.3408 7.4252 7.4252 7.9572 7.9572 8.0497 8.0497 8.0571 8.0571 8.3018 8.3018 8.3658 8.3658 8.3735 8.3735 9.0461 9.0461 9.4049 9.4049 9.5021 9.5021 10.0472 10.0472 k = 0.3333 0.5774 0.1022 ( 4320 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5317 -6.5317 -6.5298 -6.5298 -4.6446 -4.6446 -4.6304 -4.6304 -4.5159 -4.5159 -4.5042 -4.5042 4.8774 4.8774 4.9634 4.9634 4.9723 4.9723 5.9724 5.9724 6.1780 6.1780 6.2074 6.2074 6.8212 6.8212 6.9961 6.9961 7.0141 7.0141 7.3221 7.3221 7.3393 7.3393 7.4259 7.4259 7.9573 7.9573 8.0498 8.0498 8.0571 8.0571 8.3018 8.3018 8.3658 8.3658 8.3735 8.3735 9.0440 9.0440 9.3882 9.3882 9.4899 9.4899 10.0570 10.0570 k = 0.3333 0.5774 0.1149 ( 4323 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5317 -6.5317 -6.5298 -6.5298 -4.6458 -4.6458 -4.6303 -4.6303 -4.5158 -4.5158 -4.5030 -4.5030 4.8780 4.8780 4.9622 4.9622 4.9709 4.9709 5.9694 5.9694 6.1804 6.1804 6.2101 6.2101 6.8257 6.8257 6.9936 6.9936 7.0102 7.0102 7.3203 7.3203 7.3378 7.3378 7.4265 7.4265 7.9573 7.9573 8.0498 8.0498 8.0570 8.0570 8.3018 8.3018 8.3658 8.3658 8.3734 8.3734 9.0419 9.0419 9.3719 9.3719 9.4781 9.4781 10.0679 10.0679 k = 0.3333 0.5774 0.1277 ( 4326 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5318 -6.5318 -6.5298 -6.5298 -4.6469 -4.6469 -4.6303 -4.6303 -4.5157 -4.5157 -4.5018 -4.5018 4.8786 4.8786 4.9609 4.9609 4.9694 4.9694 5.9664 5.9664 6.1828 6.1828 6.2129 6.2129 6.8302 6.8302 6.9910 6.9910 7.0063 7.0063 7.3187 7.3187 7.3363 7.3363 7.4272 7.4272 7.9573 7.9573 8.0498 8.0498 8.0570 8.0570 8.3018 8.3018 8.3658 8.3658 8.3733 8.3733 9.0397 9.0397 9.3565 9.3565 9.4669 9.4669 10.0795 10.0795 k = 0.3333 0.5774 0.1405 ( 4314 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5318 -6.5318 -6.5298 -6.5298 -4.6479 -4.6479 -4.6303 -4.6303 -4.5155 -4.5155 -4.5007 -4.5007 4.8792 4.8792 4.9597 4.9597 4.9681 4.9681 5.9636 5.9636 6.1852 6.1852 6.2156 6.2156 6.8345 6.8345 6.9885 6.9885 7.0025 7.0025 7.3171 7.3171 7.3349 7.3349 7.4280 7.4280 7.9573 7.9573 8.0498 8.0498 8.0570 8.0570 8.3018 8.3018 8.3658 8.3658 8.3733 8.3733 9.0377 9.0377 9.3424 9.3424 9.4566 9.4566 10.0916 10.0916 k = 0.3333 0.5774 0.1533 ( 4314 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5319 -6.5319 -6.5298 -6.5298 -4.6489 -4.6489 -4.6303 -4.6303 -4.5154 -4.5154 -4.4996 -4.4996 4.8798 4.8798 4.9586 4.9586 4.9668 4.9668 5.9609 5.9609 6.1874 6.1874 6.2182 6.2182 6.8385 6.8385 6.9861 6.9861 6.9988 6.9988 7.3156 7.3156 7.3336 7.3336 7.4286 7.4286 7.9574 7.9574 8.0499 8.0499 8.0569 8.0569 8.3018 8.3018 8.3657 8.3657 8.3732 8.3732 9.0357 9.0357 9.3297 9.3297 9.4474 9.4474 10.1039 10.1039 k = 0.3333 0.5774 0.1660 ( 4323 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5319 -6.5319 -6.5298 -6.5298 -4.6497 -4.6497 -4.6303 -4.6303 -4.5153 -4.5153 -4.4987 -4.4987 4.8803 4.8803 4.9575 4.9575 4.9656 4.9656 5.9585 5.9585 6.1894 6.1894 6.2204 6.2204 6.8421 6.8421 6.9839 6.9839 6.9955 6.9955 7.3143 7.3143 7.3325 7.3325 7.4292 7.4292 7.9573 7.9573 8.0499 8.0499 8.0569 8.0569 8.3018 8.3018 8.3657 8.3657 8.3731 8.3731 9.0339 9.0339 9.3187 9.3187 9.4395 9.4395 10.1158 10.1158 k = 0.3333 0.5774 0.1788 ( 4326 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5319 -6.5319 -6.5298 -6.5298 -4.6505 -4.6505 -4.6303 -4.6303 -4.5153 -4.5153 -4.4979 -4.4979 4.8807 4.8807 4.9567 4.9567 4.9646 4.9646 5.9564 5.9564 6.1911 6.1911 6.2223 6.2223 6.8452 6.8452 6.9820 6.9820 6.9926 6.9926 7.3132 7.3132 7.3315 7.3315 7.4297 7.4297 7.9574 7.9574 8.0499 8.0499 8.0569 8.0569 8.3018 8.3018 8.3657 8.3657 8.3731 8.3731 9.0324 9.0324 9.3096 9.3096 9.4329 9.4329 10.1270 10.1270 k = 0.3333 0.5774 0.1916 ( 4320 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5320 -6.5320 -6.5298 -6.5298 -4.6511 -4.6511 -4.6303 -4.6303 -4.5152 -4.5152 -4.4973 -4.4973 4.8811 4.8811 4.9560 4.9560 4.9638 4.9638 5.9547 5.9547 6.1925 6.1925 6.2240 6.2240 6.8478 6.8478 6.9805 6.9805 6.9903 6.9903 7.3124 7.3124 7.3307 7.3307 7.4302 7.4302 7.9574 7.9574 8.0499 8.0499 8.0569 8.0569 8.3018 8.3018 8.3657 8.3657 8.3730 8.3730 9.0312 9.0312 9.3024 9.3024 9.4277 9.4277 10.1367 10.1367 k = 0.3333 0.5774 0.2043 ( 4317 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5320 -6.5320 -6.5298 -6.5298 -4.6515 -4.6515 -4.6303 -4.6303 -4.5151 -4.5151 -4.4968 -4.4968 4.8813 4.8813 4.9554 4.9554 4.9632 4.9632 5.9536 5.9536 6.1935 6.1935 6.2252 6.2252 6.8496 6.8496 6.9793 6.9793 6.9885 6.9885 7.3118 7.3118 7.3302 7.3302 7.4305 7.4305 7.9574 7.9574 8.0500 8.0500 8.0569 8.0569 8.3018 8.3018 8.3657 8.3657 8.3730 8.3730 9.0303 9.0303 9.2971 9.2971 9.4239 9.4239 10.1442 10.1442 k = 0.3333 0.5774 0.2171 ( 4311 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5320 -6.5320 -6.5299 -6.5299 -4.6518 -4.6518 -4.6303 -4.6303 -4.5151 -4.5151 -4.4965 -4.4965 4.8815 4.8815 4.9551 4.9551 4.9629 4.9629 5.9528 5.9528 6.1942 6.1942 6.2259 6.2259 6.8507 6.8507 6.9786 6.9786 6.9875 6.9875 7.3114 7.3114 7.3298 7.3298 7.4308 7.4308 7.9574 7.9574 8.0500 8.0500 8.0569 8.0569 8.3019 8.3019 8.3657 8.3657 8.3730 8.3730 9.0297 9.0297 9.2940 9.2940 9.4216 9.4216 10.1490 10.1490 k = 0.3333 0.5774 0.2299 ( 4320 PWs) bands (ev): -19.7005 -19.7005 -19.7005 -19.7005 -6.5320 -6.5320 -6.5299 -6.5299 -4.6518 -4.6518 -4.6303 -4.6303 -4.5151 -4.5151 -4.4964 -4.4964 4.8815 4.8815 4.9550 4.9550 4.9627 4.9627 5.9525 5.9525 6.1944 6.1944 6.2261 6.2261 6.8511 6.8511 6.9784 6.9784 6.9871 6.9871 7.3113 7.3113 7.3297 7.3297 7.4308 7.4308 7.9574 7.9574 8.0499 8.0499 8.0568 8.0568 8.3018 8.3018 8.3657 8.3657 8.3730 8.3730 9.0295 9.0295 9.2930 9.2930 9.4209 9.4209 10.1507 10.1507 Writing output data file Ba2Ni3.save init_run : 0.23s CPU 0.36s WALL ( 1 calls) electrons : 199.20s CPU 202.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 199.19s CPU 202.49s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 301 calls) cegterg : 185.69s CPU 188.47s WALL ( 533 calls) Called by sum_band: Called by *egterg: h_psi : 93.45s CPU 95.42s WALL ( 8272 calls) s_psi : 8.76s CPU 8.95s WALL ( 8272 calls) g_psi : 0.33s CPU 0.32s WALL ( 7438 calls) cdiaghg : 69.42s CPU 70.00s WALL ( 7739 calls) cegterg:over : 8.62s CPU 8.78s WALL ( 7438 calls) cegterg:upda : 7.12s CPU 7.29s WALL ( 7438 calls) cegterg:last : 4.26s CPU 4.31s WALL ( 1436 calls) cdiaghg:chol : 4.02s CPU 3.98s WALL ( 7739 calls) cdiaghg:inve : 2.83s CPU 2.70s WALL ( 7739 calls) cdiaghg:para : 4.31s CPU 4.52s WALL ( 15478 calls) Called by h_psi: h_psi:vloc : 74.12s CPU 76.09s WALL ( 8272 calls) h_psi:vnl : 19.02s CPU 19.02s WALL ( 8272 calls) add_vuspsi : 10.35s CPU 10.38s WALL ( 8272 calls) General routines calbec : 8.64s CPU 8.62s WALL ( 8272 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 69.06s CPU 71.11s WALL ( 1057248 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.22s WALL ( 602 calls) Parallel routines fft_scatter : 27.98s CPU 28.50s WALL ( 1057271 calls) PWSCF : 3m35.97s CPU 3m49.34s WALL This run was terminated on: 13:50:29 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=