Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 22:18:40 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Ge2Sb2Te5.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 14 7 2 1530 577 90 Max 15 8 3 1561 606 113 Sum 1045 559 163 111183 42745 7041 bravais-lattice index = 14 lattice parameter (alat) = 7.9368 a.u. unit-cell volume = 1748.4434 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 32.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.936849 celldm(2)= 1.000000 celldm(3)= 4.038095 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 4.038095 ) 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 0.247642 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Sb 5.00 121.76000 Sb( 1.00) Te 6.00 127.60000 Te( 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= 277 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0036101 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0036101 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0036101 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0036101 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0036101 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0036101 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0036101 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0036101 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0036101 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0036101 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0036101 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0036101 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0036101 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0036101 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0036101 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0036101 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0036101 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0036101 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0036101 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0036101 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0036101 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0036101 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0036101 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0036101 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0036101 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0036101 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0036101 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0036101 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0036101 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0036101 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0036101 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0036101 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0036101 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0036101 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0036101 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0036101 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0036101 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0036101 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0036101 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0036101 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0036101 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0036101 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0036101 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036101 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036101 k( 47) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0036101 k( 48) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0036101 k( 49) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0036101 k( 50) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0036101 k( 51) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0036101 k( 52) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0036101 k( 53) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0036101 k( 54) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0036101 k( 55) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0036101 k( 56) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0036101 k( 57) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0036101 k( 58) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0036101 k( 59) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0036101 k( 60) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0036101 k( 61) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0036101 k( 62) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0036101 k( 63) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0036101 k( 64) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0036101 k( 65) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0036101 k( 66) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0036101 k( 67) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0036101 k( 68) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0036101 k( 69) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0036101 k( 70) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0036101 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036101 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036101 k( 73) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0036101 k( 74) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0036101 k( 75) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0036101 k( 76) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0036101 k( 77) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0036101 k( 78) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0036101 k( 79) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0036101 k( 80) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0036101 k( 81) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0036101 k( 82) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0036101 k( 83) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0036101 k( 84) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0036101 k( 85) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0036101 k( 86) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0036101 k( 87) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0036101 k( 88) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0036101 k( 89) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0036101 k( 90) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0036101 k( 91) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0036101 k( 92) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0036101 k( 93) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0036101 k( 94) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0036101 k( 95) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0036101 k( 96) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0036101 k( 97) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0036101 k( 98) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0036101 k( 99) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0036101 k( 100) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0036101 k( 101) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0036101 k( 102) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0036101 k( 103) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0036101 k( 104) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0036101 k( 105) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0036101 k( 106) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0036101 k( 107) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0036101 k( 108) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0036101 k( 109) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0036101 k( 110) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0036101 k( 111) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0036101 k( 112) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0036101 k( 113) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0036101 k( 114) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0036101 k( 115) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0036101 k( 116) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0036101 k( 117) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0036101 k( 118) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0036101 k( 119) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0036101 k( 120) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0036101 k( 121) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0036101 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 124) = ( 0.0000000 0.0000000 0.0123821), wk = 0.0036101 k( 125) = ( 0.0000000 0.0000000 0.0247642), wk = 0.0036101 k( 126) = ( 0.0000000 0.0000000 0.0371462), wk = 0.0036101 k( 127) = ( 0.0000000 0.0000000 0.0495283), wk = 0.0036101 k( 128) = ( 0.0000000 0.0000000 0.0619104), wk = 0.0036101 k( 129) = ( 0.0000000 0.0000000 0.0742925), wk = 0.0036101 k( 130) = ( 0.0000000 0.0000000 0.0866745), wk = 0.0036101 k( 131) = ( 0.0000000 0.0000000 0.0990566), wk = 0.0036101 k( 132) = ( 0.0000000 0.0000000 0.1114387), wk = 0.0036101 k( 133) = ( 0.0000000 0.0000000 0.1238208), wk = 0.0036101 k( 134) = ( 0.0000000 0.0000000 0.1238208), wk = 0.0036101 k( 135) = ( 0.0113636 0.0065608 0.1238208), wk = 0.0036101 k( 136) = ( 0.0227273 0.0131216 0.1238208), wk = 0.0036101 k( 137) = ( 0.0340909 0.0196824 0.1238208), wk = 0.0036101 k( 138) = ( 0.0454546 0.0262432 0.1238208), wk = 0.0036101 k( 139) = ( 0.0568182 0.0328040 0.1238208), wk = 0.0036101 k( 140) = ( 0.0681818 0.0393648 0.1238208), wk = 0.0036101 k( 141) = ( 0.0795455 0.0459256 0.1238208), wk = 0.0036101 k( 142) = ( 0.0909091 0.0524864 0.1238208), wk = 0.0036101 k( 143) = ( 0.1022727 0.0590472 0.1238208), wk = 0.0036101 k( 144) = ( 0.1136364 0.0656080 0.1238208), wk = 0.0036101 k( 145) = ( 0.1250000 0.0721688 0.1238208), wk = 0.0036101 k( 146) = ( 0.1363636 0.0787296 0.1238208), wk = 0.0036101 k( 147) = ( 0.1477273 0.0852904 0.1238208), wk = 0.0036101 k( 148) = ( 0.1590909 0.0918512 0.1238208), wk = 0.0036101 k( 149) = ( 0.1704546 0.0984120 0.1238208), wk = 0.0036101 k( 150) = ( 0.1818182 0.1049728 0.1238208), wk = 0.0036101 k( 151) = ( 0.1931818 0.1115336 0.1238208), wk = 0.0036101 k( 152) = ( 0.2045454 0.1180944 0.1238208), wk = 0.0036101 k( 153) = ( 0.2159091 0.1246552 0.1238208), wk = 0.0036101 k( 154) = ( 0.2272727 0.1312160 0.1238208), wk = 0.0036101 k( 155) = ( 0.2386364 0.1377768 0.1238208), wk = 0.0036101 k( 156) = ( 0.2500000 0.1443376 0.1238208), wk = 0.0036101 k( 157) = ( 0.2613636 0.1508984 0.1238208), wk = 0.0036101 k( 158) = ( 0.2727273 0.1574592 0.1238208), wk = 0.0036101 k( 159) = ( 0.2840909 0.1640200 0.1238208), wk = 0.0036101 k( 160) = ( 0.2954545 0.1705808 0.1238208), wk = 0.0036101 k( 161) = ( 0.3068182 0.1771416 0.1238208), wk = 0.0036101 k( 162) = ( 0.3181818 0.1837024 0.1238208), wk = 0.0036101 k( 163) = ( 0.3295455 0.1902632 0.1238208), wk = 0.0036101 k( 164) = ( 0.3409091 0.1968240 0.1238208), wk = 0.0036101 k( 165) = ( 0.3522727 0.2033848 0.1238208), wk = 0.0036101 k( 166) = ( 0.3636364 0.2099456 0.1238208), wk = 0.0036101 k( 167) = ( 0.3750000 0.2165064 0.1238208), wk = 0.0036101 k( 168) = ( 0.3863636 0.2230672 0.1238208), wk = 0.0036101 k( 169) = ( 0.3977273 0.2296279 0.1238208), wk = 0.0036101 k( 170) = ( 0.4090909 0.2361887 0.1238208), wk = 0.0036101 k( 171) = ( 0.4204545 0.2427495 0.1238208), wk = 0.0036101 k( 172) = ( 0.4318182 0.2493103 0.1238208), wk = 0.0036101 k( 173) = ( 0.4431818 0.2558711 0.1238208), wk = 0.0036101 k( 174) = ( 0.4545455 0.2624319 0.1238208), wk = 0.0036101 k( 175) = ( 0.4659091 0.2689927 0.1238208), wk = 0.0036101 k( 176) = ( 0.4772727 0.2755535 0.1238208), wk = 0.0036101 k( 177) = ( 0.4886364 0.2821143 0.1238208), wk = 0.0036101 k( 178) = ( 0.5000000 0.2886751 0.1238208), wk = 0.0036101 k( 179) = ( 0.5000000 0.2886751 0.1238208), wk = 0.0036101 k( 180) = ( 0.4933333 0.3002221 0.1238208), wk = 0.0036101 k( 181) = ( 0.4866667 0.3117692 0.1238208), wk = 0.0036101 k( 182) = ( 0.4800000 0.3233162 0.1238208), wk = 0.0036101 k( 183) = ( 0.4733333 0.3348632 0.1238208), wk = 0.0036101 k( 184) = ( 0.4666667 0.3464102 0.1238208), wk = 0.0036101 k( 185) = ( 0.4600000 0.3579572 0.1238208), wk = 0.0036101 k( 186) = ( 0.4533333 0.3695042 0.1238208), wk = 0.0036101 k( 187) = ( 0.4466667 0.3810512 0.1238208), wk = 0.0036101 k( 188) = ( 0.4400000 0.3925982 0.1238208), wk = 0.0036101 k( 189) = ( 0.4333333 0.4041452 0.1238208), wk = 0.0036101 k( 190) = ( 0.4266667 0.4156922 0.1238208), wk = 0.0036101 k( 191) = ( 0.4200000 0.4272392 0.1238208), wk = 0.0036101 k( 192) = ( 0.4133333 0.4387862 0.1238208), wk = 0.0036101 k( 193) = ( 0.4066667 0.4503332 0.1238208), wk = 0.0036101 k( 194) = ( 0.4000000 0.4618802 0.1238208), wk = 0.0036101 k( 195) = ( 0.3933333 0.4734272 0.1238208), wk = 0.0036101 k( 196) = ( 0.3866667 0.4849742 0.1238208), wk = 0.0036101 k( 197) = ( 0.3800000 0.4965212 0.1238208), wk = 0.0036101 k( 198) = ( 0.3733333 0.5080682 0.1238208), wk = 0.0036101 k( 199) = ( 0.3666667 0.5196152 0.1238208), wk = 0.0036101 k( 200) = ( 0.3600000 0.5311622 0.1238208), wk = 0.0036101 k( 201) = ( 0.3533333 0.5427092 0.1238208), wk = 0.0036101 k( 202) = ( 0.3466667 0.5542563 0.1238208), wk = 0.0036101 k( 203) = ( 0.3400000 0.5658033 0.1238208), wk = 0.0036101 k( 204) = ( 0.3333333 0.5773503 0.1238208), wk = 0.0036101 k( 205) = ( 0.3333333 0.5773503 0.1238208), wk = 0.0036101 k( 206) = ( 0.3266667 0.5658033 0.1238208), wk = 0.0036101 k( 207) = ( 0.3200000 0.5542563 0.1238208), wk = 0.0036101 k( 208) = ( 0.3133333 0.5427092 0.1238208), wk = 0.0036101 k( 209) = ( 0.3066667 0.5311623 0.1238208), wk = 0.0036101 k( 210) = ( 0.3000000 0.5196152 0.1238208), wk = 0.0036101 k( 211) = ( 0.2933333 0.5080682 0.1238208), wk = 0.0036101 k( 212) = ( 0.2866667 0.4965212 0.1238208), wk = 0.0036101 k( 213) = ( 0.2800000 0.4849742 0.1238208), wk = 0.0036101 k( 214) = ( 0.2733333 0.4734272 0.1238208), wk = 0.0036101 k( 215) = ( 0.2666667 0.4618802 0.1238208), wk = 0.0036101 k( 216) = ( 0.2600000 0.4503332 0.1238208), wk = 0.0036101 k( 217) = ( 0.2533333 0.4387862 0.1238208), wk = 0.0036101 k( 218) = ( 0.2466667 0.4272392 0.1238208), wk = 0.0036101 k( 219) = ( 0.2400000 0.4156922 0.1238208), wk = 0.0036101 k( 220) = ( 0.2333333 0.4041452 0.1238208), wk = 0.0036101 k( 221) = ( 0.2266667 0.3925982 0.1238208), wk = 0.0036101 k( 222) = ( 0.2200000 0.3810512 0.1238208), wk = 0.0036101 k( 223) = ( 0.2133333 0.3695042 0.1238208), wk = 0.0036101 k( 224) = ( 0.2066667 0.3579572 0.1238208), wk = 0.0036101 k( 225) = ( 0.2000000 0.3464102 0.1238208), wk = 0.0036101 k( 226) = ( 0.1933333 0.3348632 0.1238208), wk = 0.0036101 k( 227) = ( 0.1866667 0.3233162 0.1238208), wk = 0.0036101 k( 228) = ( 0.1800000 0.3117691 0.1238208), wk = 0.0036101 k( 229) = ( 0.1733333 0.3002221 0.1238208), wk = 0.0036101 k( 230) = ( 0.1666667 0.2886751 0.1238208), wk = 0.0036101 k( 231) = ( 0.1600000 0.2771281 0.1238208), wk = 0.0036101 k( 232) = ( 0.1533333 0.2655811 0.1238208), wk = 0.0036101 k( 233) = ( 0.1466667 0.2540341 0.1238208), wk = 0.0036101 k( 234) = ( 0.1400000 0.2424871 0.1238208), wk = 0.0036101 k( 235) = ( 0.1333333 0.2309401 0.1238208), wk = 0.0036101 k( 236) = ( 0.1266667 0.2193931 0.1238208), wk = 0.0036101 k( 237) = ( 0.1200000 0.2078461 0.1238208), wk = 0.0036101 k( 238) = ( 0.1133333 0.1962991 0.1238208), wk = 0.0036101 k( 239) = ( 0.1066667 0.1847521 0.1238208), wk = 0.0036101 k( 240) = ( 0.1000000 0.1732051 0.1238208), wk = 0.0036101 k( 241) = ( 0.0933333 0.1616581 0.1238208), wk = 0.0036101 k( 242) = ( 0.0866667 0.1501111 0.1238208), wk = 0.0036101 k( 243) = ( 0.0800000 0.1385641 0.1238208), wk = 0.0036101 k( 244) = ( 0.0733333 0.1270171 0.1238208), wk = 0.0036101 k( 245) = ( 0.0666667 0.1154701 0.1238208), wk = 0.0036101 k( 246) = ( 0.0600000 0.1039230 0.1238208), wk = 0.0036101 k( 247) = ( 0.0533333 0.0923760 0.1238208), wk = 0.0036101 k( 248) = ( 0.0466667 0.0808290 0.1238208), wk = 0.0036101 k( 249) = ( 0.0400000 0.0692820 0.1238208), wk = 0.0036101 k( 250) = ( 0.0333333 0.0577350 0.1238208), wk = 0.0036101 k( 251) = ( 0.0266667 0.0461880 0.1238208), wk = 0.0036101 k( 252) = ( 0.0200000 0.0346410 0.1238208), wk = 0.0036101 k( 253) = ( 0.0133333 0.0230940 0.1238208), wk = 0.0036101 k( 254) = ( 0.0066667 0.0115470 0.1238208), wk = 0.0036101 k( 255) = ( 0.0000000 0.0000000 0.1238208), wk = 0.0036101 k( 256) = ( 0.5000000 0.2886751 0.1238208), wk = 0.0036101 k( 257) = ( 0.5000000 0.2886751 0.1114387), wk = 0.0036101 k( 258) = ( 0.5000000 0.2886751 0.0990566), wk = 0.0036101 k( 259) = ( 0.5000000 0.2886751 0.0866745), wk = 0.0036101 k( 260) = ( 0.5000000 0.2886751 0.0742925), wk = 0.0036101 k( 261) = ( 0.5000000 0.2886751 0.0619104), wk = 0.0036101 k( 262) = ( 0.5000000 0.2886751 0.0495283), wk = 0.0036101 k( 263) = ( 0.5000000 0.2886751 0.0371462), wk = 0.0036101 k( 264) = ( 0.5000000 0.2886751 0.0247642), wk = 0.0036101 k( 265) = ( 0.5000000 0.2886751 0.0123821), wk = 0.0036101 k( 266) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036101 k( 267) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036101 k( 268) = ( 0.3333333 0.5773503 0.0123821), wk = 0.0036101 k( 269) = ( 0.3333333 0.5773503 0.0247642), wk = 0.0036101 k( 270) = ( 0.3333333 0.5773503 0.0371462), wk = 0.0036101 k( 271) = ( 0.3333333 0.5773503 0.0495283), wk = 0.0036101 k( 272) = ( 0.3333333 0.5773503 0.0619104), wk = 0.0036101 k( 273) = ( 0.3333333 0.5773503 0.0742925), wk = 0.0036101 k( 274) = ( 0.3333333 0.5773503 0.0866745), wk = 0.0036101 k( 275) = ( 0.3333333 0.5773503 0.0990566), wk = 0.0036101 k( 276) = ( 0.3333333 0.5773503 0.1114387), wk = 0.0036101 k( 277) = ( 0.3333333 0.5773503 0.1238208), wk = 0.0036101 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0113636 -0.0000000 0.0000000), wk = 0.0036101 k( 3) = ( 0.0227273 -0.0000000 0.0000000), wk = 0.0036101 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0036101 k( 5) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0036101 k( 6) = ( 0.0568182 -0.0000000 0.0000000), wk = 0.0036101 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0036101 k( 8) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0036101 k( 9) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0036101 k( 10) = ( 0.1022727 0.0000000 -0.0000000), wk = 0.0036101 k( 11) = ( 0.1136364 -0.0000000 0.0000000), wk = 0.0036101 k( 12) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0036101 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0036101 k( 14) = ( 0.1477273 -0.0000000 0.0000000), wk = 0.0036101 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0036101 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0036101 k( 17) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0036101 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0036101 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0036101 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0036101 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0036101 k( 22) = ( 0.2386364 -0.0000000 0.0000000), wk = 0.0036101 k( 23) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0036101 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0036101 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0036101 k( 26) = ( 0.2840909 0.0000000 -0.0000000), wk = 0.0036101 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0036101 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0036101 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0036101 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0036101 k( 31) = ( 0.3409091 -0.0000000 0.0000000), wk = 0.0036101 k( 32) = ( 0.3522727 -0.0000000 0.0000000), wk = 0.0036101 k( 33) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0036101 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0036101 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0036101 k( 36) = ( 0.3977273 0.0000000 -0.0000000), wk = 0.0036101 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0036101 k( 38) = ( 0.4204545 -0.0000000 0.0000000), wk = 0.0036101 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0036101 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0036101 k( 41) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0036101 k( 42) = ( 0.4659091 0.0000000 -0.0000000), wk = 0.0036101 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0036101 k( 44) = ( 0.4886364 0.0000000 -0.0000000), wk = 0.0036101 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036101 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036101 k( 47) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0036101 k( 48) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0036101 k( 49) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0036101 k( 50) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0036101 k( 51) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0036101 k( 52) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0036101 k( 53) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0036101 k( 54) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0036101 k( 55) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0036101 k( 56) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0036101 k( 57) = ( 0.4266667 0.1466667 -0.0000000), wk = 0.0036101 k( 58) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0036101 k( 59) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0036101 k( 60) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0036101 k( 61) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0036101 k( 62) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0036101 k( 63) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0036101 k( 64) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0036101 k( 65) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0036101 k( 66) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0036101 k( 67) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0036101 k( 68) = ( 0.3533333 0.2933333 -0.0000000), wk = 0.0036101 k( 69) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0036101 k( 70) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0036101 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036101 k( 72) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036101 k( 73) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0036101 k( 74) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0036101 k( 75) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0036101 k( 76) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0036101 k( 77) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0036101 k( 78) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0036101 k( 79) = ( 0.2866667 0.2866667 0.0000000), wk = 0.0036101 k( 80) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0036101 k( 81) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0036101 k( 82) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0036101 k( 83) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0036101 k( 84) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0036101 k( 85) = ( 0.2466667 0.2466667 -0.0000000), wk = 0.0036101 k( 86) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0036101 k( 87) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0036101 k( 88) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0036101 k( 89) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0036101 k( 90) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0036101 k( 91) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0036101 k( 92) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0036101 k( 93) = ( 0.1933333 0.1933333 -0.0000000), wk = 0.0036101 k( 94) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0036101 k( 95) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0036101 k( 96) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0036101 k( 97) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0036101 k( 98) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0036101 k( 99) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0036101 k( 100) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0036101 k( 101) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0036101 k( 102) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0036101 k( 103) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0036101 k( 104) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0036101 k( 105) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0036101 k( 106) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0036101 k( 107) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0036101 k( 108) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0036101 k( 109) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0036101 k( 110) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0036101 k( 111) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0036101 k( 112) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0036101 k( 113) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0036101 k( 114) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0036101 k( 115) = ( 0.0466667 0.0466667 -0.0000000), wk = 0.0036101 k( 116) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0036101 k( 117) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0036101 k( 118) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0036101 k( 119) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0036101 k( 120) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0036101 k( 121) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0036101 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 124) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0036101 k( 125) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036101 k( 126) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0036101 k( 127) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036101 k( 128) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036101 k( 129) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036101 k( 130) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0036101 k( 131) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036101 k( 132) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0036101 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 135) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0036101 k( 136) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0036101 k( 137) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0036101 k( 138) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0036101 k( 139) = ( 0.0568182 -0.0000000 0.5000000), wk = 0.0036101 k( 140) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0036101 k( 141) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0036101 k( 142) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0036101 k( 143) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0036101 k( 144) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0036101 k( 145) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0036101 k( 146) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0036101 k( 147) = ( 0.1477273 -0.0000000 0.5000000), wk = 0.0036101 k( 148) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0036101 k( 149) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0036101 k( 150) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0036101 k( 151) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0036101 k( 152) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0036101 k( 153) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0036101 k( 154) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0036101 k( 155) = ( 0.2386364 -0.0000000 0.5000000), wk = 0.0036101 k( 156) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0036101 k( 157) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0036101 k( 158) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0036101 k( 159) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0036101 k( 160) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0036101 k( 161) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0036101 k( 162) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0036101 k( 163) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0036101 k( 164) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0036101 k( 165) = ( 0.3522727 -0.0000000 0.5000000), wk = 0.0036101 k( 166) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0036101 k( 167) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0036101 k( 168) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0036101 k( 169) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0036101 k( 170) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0036101 k( 171) = ( 0.4204545 -0.0000000 0.5000000), wk = 0.0036101 k( 172) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0036101 k( 173) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0036101 k( 174) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0036101 k( 175) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0036101 k( 176) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0036101 k( 177) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0036101 k( 178) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036101 k( 179) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036101 k( 180) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0036101 k( 181) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0036101 k( 182) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0036101 k( 183) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0036101 k( 184) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0036101 k( 185) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0036101 k( 186) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0036101 k( 187) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0036101 k( 188) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0036101 k( 189) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0036101 k( 190) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0036101 k( 191) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0036101 k( 192) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0036101 k( 193) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0036101 k( 194) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0036101 k( 195) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0036101 k( 196) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0036101 k( 197) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0036101 k( 198) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0036101 k( 199) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0036101 k( 200) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0036101 k( 201) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0036101 k( 202) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0036101 k( 203) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0036101 k( 204) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036101 k( 205) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036101 k( 206) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0036101 k( 207) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0036101 k( 208) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0036101 k( 209) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0036101 k( 210) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0036101 k( 211) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0036101 k( 212) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0036101 k( 213) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0036101 k( 214) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0036101 k( 215) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0036101 k( 216) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0036101 k( 217) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0036101 k( 218) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0036101 k( 219) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0036101 k( 220) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0036101 k( 221) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0036101 k( 222) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0036101 k( 223) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0036101 k( 224) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0036101 k( 225) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0036101 k( 226) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0036101 k( 227) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0036101 k( 228) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0036101 k( 229) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0036101 k( 230) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0036101 k( 231) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0036101 k( 232) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0036101 k( 233) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0036101 k( 234) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0036101 k( 235) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0036101 k( 236) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0036101 k( 237) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0036101 k( 238) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0036101 k( 239) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0036101 k( 240) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0036101 k( 241) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0036101 k( 242) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0036101 k( 243) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0036101 k( 244) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0036101 k( 245) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0036101 k( 246) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0036101 k( 247) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0036101 k( 248) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0036101 k( 249) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0036101 k( 250) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0036101 k( 251) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0036101 k( 252) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0036101 k( 253) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0036101 k( 254) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0036101 k( 255) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 256) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036101 k( 257) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0036101 k( 258) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0036101 k( 259) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0036101 k( 260) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0036101 k( 261) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0036101 k( 262) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0036101 k( 263) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0036101 k( 264) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0036101 k( 265) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0036101 k( 266) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036101 k( 267) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036101 k( 268) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0036101 k( 269) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0036101 k( 270) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0036101 k( 271) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0036101 k( 272) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0036101 k( 273) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0036101 k( 274) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0036101 k( 275) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0036101 k( 276) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0036101 k( 277) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036101 Dense grid: 111183 G-vectors FFT dimensions: ( 40, 40, 160) Smooth grid: 42745 G-vectors FFT dimensions: ( 30, 30, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 138, 58) NL pseudopotentials 0.28 Mb ( 69, 266) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1532) G-vector shells 0.01 Mb ( 773) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 138, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.47 Mb ( 266, 2, 58) The potential is recalculated from file : ./Ge2Sb2Te5.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.9 secs Computing kpt #: 2 total cpu time spent up to now is 7.0 secs Computing kpt #: 3 total cpu time spent up to now is 8.2 secs Computing kpt #: 4 total cpu time spent up to now is 9.3 secs Computing kpt #: 5 total cpu time spent up to now is 10.5 secs Computing kpt #: 6 total cpu time spent up to now is 11.5 secs Computing kpt #: 7 total cpu time spent up to now is 12.6 secs Computing kpt #: 8 total cpu time spent up to now is 13.9 secs Computing kpt #: 9 total cpu time spent up to now is 15.0 secs Computing kpt #: 10 total cpu time spent up to now is 16.2 secs Computing kpt #: 11 total cpu time spent up to now is 17.3 secs Computing kpt #: 12 total cpu time spent up to now is 18.5 secs Computing kpt #: 13 total cpu time spent up to now is 19.6 secs Computing kpt #: 14 total cpu time spent up to now is 20.8 secs Computing kpt #: 15 total cpu time spent up to now is 21.9 secs Computing kpt #: 16 total cpu time spent up to now is 23.4 secs Computing kpt #: 17 total cpu time spent up to now is 24.6 secs Computing kpt #: 18 total cpu time spent up to now is 26.0 secs Computing kpt #: 19 total cpu time spent up to now is 27.2 secs Computing kpt #: 20 total cpu time spent up to now is 28.4 secs Computing kpt #: 21 total cpu time spent up to now is 29.6 secs Computing kpt #: 22 total cpu time spent up to now is 30.9 secs Computing kpt #: 23 total cpu time spent up to now is 32.0 secs Computing kpt #: 24 total cpu time spent up to now is 33.1 secs Computing kpt #: 25 total cpu time spent up to now is 34.3 secs Computing kpt #: 26 total cpu time spent up to now is 35.4 secs Computing kpt #: 27 total cpu time spent up to now is 36.6 secs Computing kpt #: 28 total cpu time spent up to now is 37.8 secs Computing kpt #: 29 total cpu time spent up to now is 39.0 secs Computing kpt #: 30 total cpu time spent up to now is 40.1 secs Computing kpt #: 31 total cpu time spent up to now is 41.3 secs Computing kpt #: 32 total cpu time spent up to now is 42.6 secs Computing kpt #: 33 total cpu time spent up to now is 43.8 secs Computing kpt #: 34 total cpu time spent up to now is 45.1 secs Computing kpt #: 35 total cpu time spent up to now is 46.5 secs Computing kpt #: 36 total cpu time spent up to now is 47.9 secs Computing kpt #: 37 total cpu time spent up to now is 49.0 secs Computing kpt #: 38 total cpu time spent up to now is 50.6 secs Computing kpt #: 39 total cpu time spent up to now is 52.1 secs Computing kpt #: 40 total cpu time spent up to now is 53.5 secs Computing kpt #: 41 total cpu time spent up to now is 54.7 secs Computing kpt #: 42 total cpu time spent up to now is 56.2 secs Computing kpt #: 43 total cpu time spent up to now is 57.3 secs Computing kpt #: 44 total cpu time spent up to now is 58.5 secs Computing kpt #: 45 total cpu time spent up to now is 59.4 secs Computing kpt #: 46 total cpu time spent up to now is 60.2 secs Computing kpt #: 47 total cpu time spent up to now is 61.4 secs Computing kpt #: 48 total cpu time spent up to now is 62.8 secs Computing kpt #: 49 total cpu time spent up to now is 63.8 secs Computing kpt #: 50 total cpu time spent up to now is 64.9 secs Computing kpt #: 51 total cpu time spent up to now is 66.0 secs Computing kpt #: 52 total cpu time spent up to now is 67.2 secs Computing kpt #: 53 total cpu time spent up to now is 68.3 secs Computing kpt #: 54 total cpu time spent up to now is 69.4 secs Computing kpt #: 55 total cpu time spent up to now is 70.6 secs Computing kpt #: 56 total cpu time spent up to now is 71.6 secs Computing kpt #: 57 total cpu time spent up to now is 72.4 secs Computing kpt #: 58 total cpu time spent up to now is 73.3 secs Computing kpt #: 59 total cpu time spent up to now is 74.2 secs Computing kpt #: 60 total cpu time spent up to now is 75.0 secs Computing kpt #: 61 total cpu time spent up to now is 75.8 secs Computing kpt #: 62 total cpu time spent up to now is 76.6 secs Computing kpt #: 63 total cpu time spent up to now is 77.5 secs Computing kpt #: 64 total cpu time spent up to now is 78.3 secs Computing kpt #: 65 total cpu time spent up to now is 79.1 secs Computing kpt #: 66 total cpu time spent up to now is 80.0 secs Computing kpt #: 67 total cpu time spent up to now is 80.9 secs Computing kpt #: 68 total cpu time spent up to now is 81.8 secs Computing kpt #: 69 total cpu time spent up to now is 82.8 secs Computing kpt #: 70 total cpu time spent up to now is 83.8 secs Computing kpt #: 71 total cpu time spent up to now is 84.8 secs Computing kpt #: 72 total cpu time spent up to now is 85.7 secs Computing kpt #: 73 total cpu time spent up to now is 86.8 secs Computing kpt #: 74 total cpu time spent up to now is 87.8 secs Computing kpt #: 75 total cpu time spent up to now is 88.9 secs Computing kpt #: 76 total cpu time spent up to now is 90.0 secs Computing kpt #: 77 total cpu time spent up to now is 91.1 secs Computing kpt #: 78 total cpu time spent up to now is 92.3 secs Computing kpt #: 79 total cpu time spent up to now is 93.7 secs Computing kpt #: 80 total cpu time spent up to now is 95.0 secs Computing kpt #: 81 total cpu time spent up to now is 96.0 secs Computing kpt #: 82 total cpu time spent up to now is 97.3 secs Computing kpt #: 83 total cpu time spent up to now is 98.5 secs Computing kpt #: 84 total cpu time spent up to now is 99.6 secs Computing kpt #: 85 total cpu time spent up to now is 100.8 secs Computing kpt #: 86 total cpu time spent up to now is 102.0 secs Computing kpt #: 87 total cpu time spent up to now is 103.2 secs Computing kpt #: 88 total cpu time spent up to now is 104.5 secs Computing kpt #: 89 total cpu time spent up to now is 105.8 secs Computing kpt #: 90 total cpu time spent up to now is 107.2 secs Computing kpt #: 91 total cpu time spent up to now is 108.7 secs Computing kpt #: 92 total cpu time spent up to now is 110.3 secs Computing kpt #: 93 total cpu time spent up to now is 112.8 secs Computing kpt #: 94 total cpu time spent up to now is 114.6 secs Computing kpt #: 95 total cpu time spent up to now is 116.4 secs Computing kpt #: 96 total cpu time spent up to now is 118.3 secs Computing kpt #: 97 total cpu time spent up to now is 120.2 secs Computing kpt #: 98 total cpu time spent up to now is 121.9 secs Computing kpt #: 99 total cpu time spent up to now is 123.7 secs Computing kpt #: 100 total cpu time spent up to now is 125.6 secs Computing kpt #: 101 total cpu time spent up to now is 127.5 secs Computing kpt #: 102 total cpu time spent up to now is 129.1 secs Computing kpt #: 103 total cpu time spent up to now is 131.0 secs Computing kpt #: 104 total cpu time spent up to now is 132.5 secs Computing kpt #: 105 total cpu time spent up to now is 134.0 secs Computing kpt #: 106 total cpu time spent up to now is 135.3 secs Computing kpt #: 107 total cpu time spent up to now is 136.6 secs Computing kpt #: 108 total cpu time spent up to now is 137.8 secs Computing kpt #: 109 total cpu time spent up to now is 139.1 secs Computing kpt #: 110 total cpu time spent up to now is 140.1 secs Computing kpt #: 111 total cpu time spent up to now is 141.2 secs Computing kpt #: 112 total cpu time spent up to now is 142.3 secs Computing kpt #: 113 total cpu time spent up to now is 143.4 secs Computing kpt #: 114 total cpu time spent up to now is 144.6 secs Computing kpt #: 115 total cpu time spent up to now is 145.7 secs Computing kpt #: 116 total cpu time spent up to now is 146.7 secs Computing kpt #: 117 total cpu time spent up to now is 147.7 secs Computing kpt #: 118 total cpu time spent up to now is 148.8 secs Computing kpt #: 119 total cpu time spent up to now is 149.9 secs Computing kpt #: 120 total cpu time spent up to now is 151.0 secs Computing kpt #: 121 total cpu time spent up to now is 152.1 secs Computing kpt #: 122 total cpu time spent up to now is 153.1 secs Computing kpt #: 123 total cpu time spent up to now is 154.2 secs Computing kpt #: 124 total cpu time spent up to now is 155.2 secs Computing kpt #: 125 total cpu time spent up to now is 156.3 secs Computing kpt #: 126 total cpu time spent up to now is 157.3 secs Computing kpt #: 127 total cpu time spent up to now is 158.4 secs Computing kpt #: 128 total cpu time spent up to now is 159.5 secs Computing kpt #: 129 total cpu time spent up to now is 160.6 secs Computing kpt #: 130 total cpu time spent up to now is 161.7 secs Computing kpt #: 131 total cpu time spent up to now is 162.8 secs Computing kpt #: 132 total cpu time spent up to now is 164.0 secs Computing kpt #: 133 total cpu time spent up to now is 165.0 secs Computing kpt #: 134 total cpu time spent up to now is 166.1 secs Computing kpt #: 135 total cpu time spent up to now is 167.2 secs Computing kpt #: 136 total cpu time spent up to now is 168.3 secs Computing kpt #: 137 total cpu time spent up to now is 169.5 secs Computing kpt #: 138 total cpu time spent up to now is 170.6 secs Computing kpt #: 139 total cpu time spent up to now is 171.8 secs Computing kpt #: 140 total cpu time spent up to now is 172.9 secs Computing kpt #: 141 total cpu time spent up to now is 174.2 secs Computing kpt #: 142 total cpu time spent up to now is 175.6 secs Computing kpt #: 143 total cpu time spent up to now is 176.7 secs Computing kpt #: 144 total cpu time spent up to now is 178.0 secs Computing kpt #: 145 total cpu time spent up to now is 179.2 secs Computing kpt #: 146 total cpu time spent up to now is 180.3 secs Computing kpt #: 147 total cpu time spent up to now is 181.5 secs Computing kpt #: 148 total cpu time spent up to now is 182.6 secs Computing kpt #: 149 total cpu time spent up to now is 183.7 secs Computing kpt #: 150 total cpu time spent up to now is 184.8 secs Computing kpt #: 151 total cpu time spent up to now is 185.9 secs Computing kpt #: 152 total cpu time spent up to now is 187.0 secs Computing kpt #: 153 total cpu time spent up to now is 188.2 secs Computing kpt #: 154 total cpu time spent up to now is 189.3 secs Computing kpt #: 155 total cpu time spent up to now is 190.5 secs Computing kpt #: 156 total cpu time spent up to now is 191.6 secs Computing kpt #: 157 total cpu time spent up to now is 192.8 secs Computing kpt #: 158 total cpu time spent up to now is 193.9 secs Computing kpt #: 159 total cpu time spent up to now is 195.1 secs Computing kpt #: 160 total cpu time spent up to now is 196.3 secs Computing kpt #: 161 total cpu time spent up to now is 197.8 secs Computing kpt #: 162 total cpu time spent up to now is 199.3 secs Computing kpt #: 163 total cpu time spent up to now is 201.2 secs Computing kpt #: 164 total cpu time spent up to now is 202.7 secs Computing kpt #: 165 total cpu time spent up to now is 204.1 secs Computing kpt #: 166 total cpu time spent up to now is 205.6 secs Computing kpt #: 167 total cpu time spent up to now is 207.0 secs Computing kpt #: 168 total cpu time spent up to now is 208.4 secs Computing kpt #: 169 total cpu time spent up to now is 209.7 secs Computing kpt #: 170 total cpu time spent up to now is 211.0 secs Computing kpt #: 171 total cpu time spent up to now is 212.3 secs Computing kpt #: 172 total cpu time spent up to now is 213.6 secs Computing kpt #: 173 total cpu time spent up to now is 214.9 secs Computing kpt #: 174 total cpu time spent up to now is 216.2 secs Computing kpt #: 175 total cpu time spent up to now is 217.4 secs Computing kpt #: 176 total cpu time spent up to now is 219.0 secs Computing kpt #: 177 total cpu time spent up to now is 220.3 secs Computing kpt #: 178 total cpu time spent up to now is 221.5 secs Computing kpt #: 179 total cpu time spent up to now is 222.6 secs Computing kpt #: 180 total cpu time spent up to now is 223.8 secs Computing kpt #: 181 total cpu time spent up to now is 225.3 secs Computing kpt #: 182 total cpu time spent up to now is 226.7 secs Computing kpt #: 183 total cpu time spent up to now is 228.2 secs Computing kpt #: 184 total cpu time spent up to now is 229.3 secs Computing kpt #: 185 total cpu time spent up to now is 230.6 secs Computing kpt #: 186 total cpu time spent up to now is 231.8 secs Computing kpt #: 187 total cpu time spent up to now is 232.8 secs Computing kpt #: 188 total cpu time spent up to now is 233.8 secs Computing kpt #: 189 total cpu time spent up to now is 234.8 secs Computing kpt #: 190 total cpu time spent up to now is 235.8 secs Computing kpt #: 191 total cpu time spent up to now is 236.7 secs Computing kpt #: 192 total cpu time spent up to now is 237.7 secs Computing kpt #: 193 total cpu time spent up to now is 239.1 secs Computing kpt #: 194 total cpu time spent up to now is 240.1 secs Computing kpt #: 195 total cpu time spent up to now is 241.0 secs Computing kpt #: 196 total cpu time spent up to now is 241.9 secs Computing kpt #: 197 total cpu time spent up to now is 242.7 secs Computing kpt #: 198 total cpu time spent up to now is 243.6 secs Computing kpt #: 199 total cpu time spent up to now is 244.5 secs Computing kpt #: 200 total cpu time spent up to now is 245.4 secs Computing kpt #: 201 total cpu time spent up to now is 246.4 secs Computing kpt #: 202 total cpu time spent up to now is 247.4 secs Computing kpt #: 203 total cpu time spent up to now is 248.5 secs Computing kpt #: 204 total cpu time spent up to now is 249.4 secs Computing kpt #: 205 total cpu time spent up to now is 250.4 secs Computing kpt #: 206 total cpu time spent up to now is 251.4 secs Computing kpt #: 207 total cpu time spent up to now is 252.8 secs Computing kpt #: 208 total cpu time spent up to now is 254.1 secs Computing kpt #: 209 total cpu time spent up to now is 255.2 secs Computing kpt #: 210 total cpu time spent up to now is 256.6 secs Computing kpt #: 211 total cpu time spent up to now is 257.9 secs Computing kpt #: 212 total cpu time spent up to now is 259.2 secs Computing kpt #: 213 total cpu time spent up to now is 260.2 secs Computing kpt #: 214 total cpu time spent up to now is 261.3 secs Computing kpt #: 215 total cpu time spent up to now is 262.7 secs Computing kpt #: 216 total cpu time spent up to now is 264.2 secs Computing kpt #: 217 total cpu time spent up to now is 265.7 secs Computing kpt #: 218 total cpu time spent up to now is 267.3 secs Computing kpt #: 219 total cpu time spent up to now is 269.4 secs Computing kpt #: 220 total cpu time spent up to now is 271.7 secs Computing kpt #: 221 total cpu time spent up to now is 273.9 secs Computing kpt #: 222 total cpu time spent up to now is 275.6 secs Computing kpt #: 223 total cpu time spent up to now is 277.3 secs Computing kpt #: 224 total cpu time spent up to now is 279.0 secs Computing kpt #: 225 total cpu time spent up to now is 280.9 secs Computing kpt #: 226 total cpu time spent up to now is 282.5 secs Computing kpt #: 227 total cpu time spent up to now is 284.4 secs Computing kpt #: 228 total cpu time spent up to now is 286.3 secs Computing kpt #: 229 total cpu time spent up to now is 287.8 secs Computing kpt #: 230 total cpu time spent up to now is 289.4 secs Computing kpt #: 231 total cpu time spent up to now is 290.9 secs Computing kpt #: 232 total cpu time spent up to now is 292.4 secs Computing kpt #: 233 total cpu time spent up to now is 293.7 secs Computing kpt #: 234 total cpu time spent up to now is 294.7 secs Computing kpt #: 235 total cpu time spent up to now is 296.0 secs Computing kpt #: 236 total cpu time spent up to now is 297.1 secs Computing kpt #: 237 total cpu time spent up to now is 298.4 secs Computing kpt #: 238 total cpu time spent up to now is 300.3 secs Computing kpt #: 239 total cpu time spent up to now is 301.8 secs Computing kpt #: 240 total cpu time spent up to now is 303.1 secs Computing kpt #: 241 total cpu time spent up to now is 304.5 secs Computing kpt #: 242 total cpu time spent up to now is 305.7 secs Computing kpt #: 243 total cpu time spent up to now is 307.0 secs Computing kpt #: 244 total cpu time spent up to now is 308.1 secs Computing kpt #: 245 total cpu time spent up to now is 309.3 secs Computing kpt #: 246 total cpu time spent up to now is 310.3 secs Computing kpt #: 247 total cpu time spent up to now is 311.8 secs Computing kpt #: 248 total cpu time spent up to now is 312.9 secs Computing kpt #: 249 total cpu time spent up to now is 314.1 secs Computing kpt #: 250 total cpu time spent up to now is 315.3 secs Computing kpt #: 251 total cpu time spent up to now is 316.5 secs Computing kpt #: 252 total cpu time spent up to now is 317.6 secs Computing kpt #: 253 total cpu time spent up to now is 318.8 secs Computing kpt #: 254 total cpu time spent up to now is 319.8 secs Computing kpt #: 255 total cpu time spent up to now is 320.9 secs Computing kpt #: 256 total cpu time spent up to now is 322.0 secs Computing kpt #: 257 total cpu time spent up to now is 323.3 secs Computing kpt #: 258 total cpu time spent up to now is 324.7 secs Computing kpt #: 259 total cpu time spent up to now is 326.0 secs Computing kpt #: 260 total cpu time spent up to now is 327.3 secs Computing kpt #: 261 total cpu time spent up to now is 328.6 secs Computing kpt #: 262 total cpu time spent up to now is 329.7 secs Computing kpt #: 263 total cpu time spent up to now is 331.1 secs Computing kpt #: 264 total cpu time spent up to now is 332.5 secs Computing kpt #: 265 total cpu time spent up to now is 333.7 secs Computing kpt #: 266 total cpu time spent up to now is 334.5 secs Computing kpt #: 267 total cpu time spent up to now is 335.5 secs Computing kpt #: 268 total cpu time spent up to now is 336.5 secs Computing kpt #: 269 total cpu time spent up to now is 337.6 secs Computing kpt #: 270 total cpu time spent up to now is 338.7 secs Computing kpt #: 271 total cpu time spent up to now is 339.7 secs Computing kpt #: 272 total cpu time spent up to now is 340.8 secs Computing kpt #: 273 total cpu time spent up to now is 341.8 secs Computing kpt #: 274 total cpu time spent up to now is 342.7 secs Computing kpt #: 275 total cpu time spent up to now is 343.7 secs Computing kpt #: 276 total cpu time spent up to now is 344.7 secs Computing kpt #: 277 total cpu time spent up to now is 345.7 secs ethr = 2.08E-08, avg # of iterations = 32.1 total cpu time spent up to now is 345.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5343 PWs) bands (ev): -7.3020 -7.3020 -6.4723 -6.4723 -5.8233 -5.8233 -4.8332 -4.8332 -4.3487 -4.3487 -2.7553 -2.7553 -1.4530 -1.4530 0.4491 0.4491 0.6857 0.6857 3.6118 3.6118 4.1694 4.1694 4.3812 4.3812 4.3992 4.3992 4.6117 4.6117 4.6699 4.6699 4.8859 4.8859 5.1559 5.1559 5.6198 5.6198 5.9621 5.9621 5.9874 5.9874 6.1724 6.1724 6.2333 6.2333 6.2381 6.2381 6.6354 6.6354 6.8347 6.8347 7.1342 7.1342 7.3017 7.3017 7.4557 7.4557 8.1014 8.1014 k = 0.0114 0.0066-0.0000 ( 5333 PWs) bands (ev): -7.3007 -7.3007 -6.4711 -6.4711 -5.8223 -5.8223 -4.8323 -4.8323 -4.3477 -4.3477 -2.7549 -2.7549 -1.4529 -1.4529 0.4478 0.4478 0.6823 0.6823 3.6073 3.6073 4.1439 4.1439 4.3797 4.3797 4.3993 4.3993 4.6030 4.6030 4.6768 4.6768 4.8932 4.8932 5.1401 5.1401 5.6248 5.6248 5.9309 5.9309 6.0144 6.0144 6.1346 6.1346 6.2291 6.2291 6.2796 6.2796 6.6339 6.6339 6.8199 6.8199 7.1479 7.1479 7.3251 7.3251 7.4607 7.4607 8.0849 8.0849 k = 0.0227 0.0131-0.0000 ( 5325 PWs) bands (ev): -7.2969 -7.2969 -6.4675 -6.4675 -5.8192 -5.8192 -4.8296 -4.8296 -4.3448 -4.3448 -2.7535 -2.7535 -1.4524 -1.4524 0.4437 0.4437 0.6719 0.6719 3.5937 3.5937 4.0822 4.0822 4.3549 4.3549 4.4014 4.4014 4.5859 4.5859 4.6952 4.6952 4.9108 4.9108 5.1010 5.1010 5.6321 5.6321 5.8779 5.8779 6.0426 6.0426 6.0893 6.0893 6.2153 6.2153 6.3542 6.3542 6.6287 6.6287 6.7888 6.7888 7.1765 7.1765 7.3721 7.3721 7.4908 7.4908 8.0427 8.0427 k = 0.0341 0.0197-0.0000 ( 5337 PWs) bands (ev): -7.2906 -7.2906 -6.4617 -6.4617 -5.8141 -5.8141 -4.8252 -4.8252 -4.3399 -4.3399 -2.7511 -2.7511 -1.4517 -1.4517 0.4369 0.4369 0.6547 0.6547 3.5711 3.5711 4.0025 4.0025 4.3121 4.3121 4.3788 4.3788 4.5731 4.5731 4.7213 4.7213 4.9294 4.9294 5.0552 5.0552 5.6274 5.6274 5.8092 5.8092 6.0128 6.0128 6.0975 6.0975 6.2168 6.2168 6.4382 6.4382 6.6157 6.6157 6.7683 6.7683 7.1901 7.1901 7.4128 7.4128 7.5650 7.5650 7.9963 7.9963 k = 0.0455 0.0262-0.0000 ( 5341 PWs) bands (ev): -7.2818 -7.2818 -6.4534 -6.4534 -5.8070 -5.8070 -4.8189 -4.8189 -4.3331 -4.3331 -2.7479 -2.7479 -1.4509 -1.4509 0.4273 0.4273 0.6309 0.6309 3.5395 3.5395 3.9134 3.9134 4.2559 4.2559 4.3310 4.3310 4.5614 4.5614 4.7494 4.7494 4.9360 4.9360 5.0211 5.0211 5.5920 5.5920 5.7437 5.7437 5.9641 5.9641 6.1117 6.1117 6.2412 6.2412 6.5142 6.5142 6.6050 6.6050 6.7770 6.7770 7.1666 7.1666 7.4628 7.4628 7.6451 7.6451 7.9799 7.9799 k = 0.0568 0.0328-0.0000 ( 5333 PWs) bands (ev): -7.2704 -7.2704 -6.4429 -6.4429 -5.7979 -5.7979 -4.8110 -4.8110 -4.3244 -4.3244 -2.7439 -2.7439 -1.4499 -1.4499 0.4147 0.4147 0.6006 0.6006 3.4982 3.4982 3.8191 3.8191 4.1890 4.1890 4.2701 4.2701 4.5423 4.5423 4.7731 4.7731 4.9151 4.9151 5.0133 5.0133 5.5125 5.5125 5.7094 5.7094 5.9160 5.9160 6.1202 6.1202 6.2616 6.2616 6.5420 6.5420 6.6404 6.6404 6.8176 6.8176 7.1155 7.1155 7.5225 7.5225 7.6851 7.6851 8.0237 8.0237 k = 0.0682 0.0394-0.0000 ( 5335 PWs) bands (ev): -7.2565 -7.2565 -6.4300 -6.4300 -5.7868 -5.7868 -4.8012 -4.8012 -4.3138 -4.3138 -2.7390 -2.7390 -1.4490 -1.4490 0.3988 0.3988 0.5642 0.5642 3.4455 3.4455 3.7236 3.7236 4.1152 4.1152 4.2038 4.2038 4.5128 4.5128 4.7888 4.7888 4.8755 4.8755 5.0118 5.0118 5.4172 5.4172 5.6970 5.6970 5.8700 5.8700 6.1288 6.1288 6.2539 6.2539 6.5610 6.5610 6.6786 6.6786 6.8764 6.8764 7.0752 7.0752 7.5765 7.5765 7.6924 7.6924 8.0894 8.0894 k = 0.0795 0.0459-0.0000 ( 5341 PWs) bands (ev): -7.2401 -7.2401 -6.4148 -6.4148 -5.7738 -5.7738 -4.7898 -4.7898 -4.3013 -4.3013 -2.7334 -2.7334 -1.4483 -1.4483 0.3792 0.3792 0.5225 0.5225 3.3780 3.3780 3.6315 3.6315 4.0389 4.0389 4.1350 4.1350 4.4742 4.4742 4.7943 4.7943 4.8262 4.8262 4.9875 4.9875 5.3414 5.3414 5.6892 5.6892 5.8287 5.8287 6.1360 6.1360 6.2257 6.2257 6.5778 6.5778 6.7007 6.7007 6.8855 6.8855 7.1219 7.1219 7.6061 7.6061 7.7028 7.7028 8.1223 8.1223 k = 0.0909 0.0525-0.0000 ( 5339 PWs) bands (ev): -7.2212 -7.2212 -6.3972 -6.3972 -5.7588 -5.7588 -4.7767 -4.7767 -4.2870 -4.2870 -2.7271 -2.7271 -1.4481 -1.4481 0.3551 0.3551 0.4764 0.4764 3.2929 3.2929 3.5474 3.5474 3.9632 3.9632 4.0651 4.0651 4.4292 4.4292 4.7553 4.7553 4.7980 4.7980 4.9300 4.9300 5.3018 5.3018 5.6734 5.6734 5.7970 5.7970 6.1344 6.1344 6.2005 6.2005 6.5471 6.5471 6.7393 6.7393 6.8618 6.8618 7.2391 7.2391 7.6027 7.6027 7.7304 7.7304 8.1581 8.1581 k = 0.1023 0.0590-0.0000 ( 5341 PWs) bands (ev): -7.1999 -7.1999 -6.3775 -6.3775 -5.7419 -5.7419 -4.7618 -4.7618 -4.2708 -4.2708 -2.7203 -2.7203 -1.4484 -1.4484 0.3250 0.3250 0.4278 0.4278 3.1905 3.1905 3.4723 3.4723 3.8896 3.8896 3.9954 3.9954 4.3798 4.3798 4.6712 4.6712 4.7795 4.7795 4.8636 4.8636 5.2858 5.2858 5.6423 5.6423 5.7752 5.7752 6.1211 6.1211 6.1901 6.1901 6.4755 6.4755 6.7885 6.7885 6.8549 6.8549 7.3687 7.3687 7.5804 7.5804 7.7689 7.7689 8.2147 8.2147 k = 0.1136 0.0656-0.0000 ( 5321 PWs) bands (ev): -7.1761 -7.1761 -6.3554 -6.3554 -5.7231 -5.7231 -4.7454 -4.7454 -4.2529 -4.2529 -2.7130 -2.7130 -1.4497 -1.4497 0.2864 0.2864 0.3796 0.3796 3.0749 3.0749 3.4038 3.4038 3.8174 3.8174 3.9275 3.9275 4.3276 4.3276 4.5657 4.5657 4.7325 4.7325 4.8227 4.8227 5.2720 5.2720 5.6004 5.6004 5.7539 5.7539 6.1031 6.1031 6.1842 6.1842 6.4026 6.4026 6.8066 6.8066 6.8922 6.8922 7.4680 7.4680 7.5693 7.5693 7.8184 7.8184 8.2876 8.2876 k = 0.1250 0.0722-0.0000 ( 5329 PWs) bands (ev): -7.1498 -7.1498 -6.3311 -6.3311 -5.7025 -5.7025 -4.7274 -4.7274 -4.2333 -4.2333 -2.7054 -2.7054 -1.4522 -1.4522 0.2369 0.2369 0.3347 0.3347 2.9510 2.9510 3.3385 3.3385 3.7448 3.7448 3.8635 3.8635 4.2737 4.2737 4.4485 4.4485 4.6680 4.6680 4.8000 4.8000 5.2450 5.2450 5.5570 5.5570 5.7258 5.7258 6.0638 6.0638 6.1851 6.1851 6.3582 6.3582 6.8046 6.8046 6.9519 6.9519 7.4641 7.4641 7.6336 7.6336 7.8821 7.8821 8.3660 8.3660 k = 0.1364 0.0787-0.0000 ( 5317 PWs) bands (ev): -7.1211 -7.1211 -6.3046 -6.3046 -5.6802 -5.6802 -4.7078 -4.7078 -4.2121 -4.2121 -2.6977 -2.6977 -1.4564 -1.4564 0.1773 0.1773 0.2930 0.2930 2.8225 2.8225 3.2741 3.2741 3.6694 3.6694 3.8048 3.8048 4.2182 4.2182 4.3301 4.3301 4.6004 4.6004 4.7788 4.7788 5.1959 5.1959 5.5194 5.5194 5.6896 5.6896 5.9941 5.9941 6.1986 6.1986 6.3483 6.3483 6.8022 6.8022 7.0073 7.0073 7.4264 7.4264 7.6995 7.6995 7.9571 7.9571 8.4384 8.4384 k = 0.1477 0.0853-0.0000 ( 5321 PWs) bands (ev): -7.0899 -7.0899 -6.2760 -6.2760 -5.6562 -5.6562 -4.6867 -4.6867 -4.1892 -4.1892 -2.6900 -2.6900 -1.4625 -1.4625 0.1104 0.1104 0.2525 0.2525 2.6920 2.6920 3.2095 3.2095 3.5895 3.5895 3.7510 3.7510 4.1588 4.1588 4.2212 4.2212 4.5327 4.5327 4.7545 4.7545 5.1227 5.1227 5.4902 5.4902 5.6446 5.6446 5.9162 5.9162 6.2088 6.2088 6.3651 6.3651 6.8033 6.8033 7.0460 7.0460 7.3963 7.3963 7.7335 7.7335 8.0311 8.0311 8.5054 8.5054 k = 0.1591 0.0919-0.0000 ( 5325 PWs) bands (ev): -7.0564 -7.0564 -6.2452 -6.2452 -5.6305 -5.6305 -4.6641 -4.6641 -4.1648 -4.1648 -2.6825 -2.6825 -1.4711 -1.4711 0.0388 0.0388 0.2113 0.2113 2.5612 2.5612 3.1443 3.1443 3.5046 3.5046 3.6996 3.6996 4.0839 4.0839 4.1391 4.1391 4.4655 4.4655 4.7259 4.7259 5.0298 5.0298 5.4673 5.4673 5.5889 5.5889 5.8479 5.8479 6.2051 6.2051 6.3995 6.3995 6.8087 6.8087 7.0560 7.0560 7.3895 7.3895 7.7363 7.7363 8.0958 8.0958 8.5819 8.5819 k = 0.1705 0.0984-0.0000 ( 5331 PWs) bands (ev): -7.0205 -7.0205 -6.2123 -6.2123 -5.6033 -5.6033 -4.6402 -4.6402 -4.1389 -4.1389 -2.6755 -2.6755 -1.4827 -1.4827 -0.0356 -0.0356 0.1683 0.1683 2.4313 2.4313 3.0783 3.0783 3.4153 3.4153 3.6474 3.6474 3.9978 3.9978 4.0840 4.0840 4.3993 4.3993 4.6921 4.6921 4.9241 4.9241 5.4459 5.4459 5.5234 5.5234 5.7960 5.7960 6.1883 6.1883 6.4397 6.4397 6.8174 6.8174 7.0347 7.0347 7.4104 7.4104 7.7158 7.7158 8.1538 8.1538 8.6696 8.6696 k = 0.1818 0.1050-0.0000 ( 5325 PWs) bands (ev): -6.9823 -6.9823 -6.1773 -6.1773 -5.5746 -5.5746 -4.6149 -4.6149 -4.1117 -4.1117 -2.6692 -2.6692 -1.4978 -1.4978 -0.1111 -0.1111 0.1231 0.1231 2.3032 2.3032 3.0116 3.0116 3.3224 3.3224 3.5918 3.5918 3.9181 3.9181 4.0403 4.0403 4.3347 4.3347 4.6500 4.6500 4.8145 4.8145 5.4131 5.4131 5.4627 5.4627 5.7588 5.7588 6.1620 6.1620 6.4737 6.4737 6.8261 6.8261 6.9952 6.9952 7.4498 7.4498 7.6846 7.6846 8.2088 8.2088 8.7595 8.7595 k = 0.1932 0.1115-0.0000 ( 5320 PWs) bands (ev): -6.9418 -6.9418 -6.1404 -6.1404 -5.5445 -5.5445 -4.5884 -4.5884 -4.0831 -4.0831 -2.6639 -2.6639 -1.5169 -1.5169 -0.1866 -0.1866 0.0754 0.0754 2.1776 2.1776 2.9442 2.9442 3.2275 3.2275 3.5322 3.5322 3.8472 3.8472 4.0044 4.0044 4.2728 4.2728 4.5905 4.5905 4.7152 4.7152 5.3471 5.3471 5.4324 5.4324 5.7312 5.7312 6.1290 6.1290 6.4918 6.4918 6.8250 6.8250 6.9591 6.9591 7.4964 7.4964 7.6555 7.6555 8.2614 8.2614 8.8435 8.8435 k = 0.2045 0.1181-0.0000 ( 5326 PWs) bands (ev): -6.8990 -6.8990 -6.1015 -6.1015 -5.5132 -5.5132 -4.5607 -4.5607 -4.0534 -4.0534 -2.6601 -2.6601 -1.5404 -1.5404 -0.2610 -0.2610 0.0252 0.0252 2.0548 2.0548 2.8759 2.8759 3.1326 3.1326 3.4698 3.4698 3.7820 3.7820 3.9739 3.9739 4.2154 4.2154 4.5014 4.5014 4.6431 4.6431 5.2685 5.2685 5.4146 5.4146 5.7092 5.7092 6.0912 6.0912 6.4853 6.4853 6.7991 6.7991 6.9494 6.9494 7.5420 7.5420 7.6404 7.6404 8.3104 8.3104 8.9154 8.9154 k = 0.2159 0.1247-0.0000 ( 5326 PWs) bands (ev): -6.8539 -6.8539 -6.0607 -6.0607 -5.4807 -5.4807 -4.5318 -4.5318 -4.0227 -4.0227 -2.6580 -2.6580 -1.5688 -1.5688 -0.3333 -0.3333 -0.0273 -0.0273 1.9352 1.9352 2.8066 2.8066 3.0401 3.0401 3.4066 3.4066 3.7193 3.7193 3.9437 3.9437 4.1658 4.1658 4.3945 4.3945 4.5913 4.5913 5.1890 5.1890 5.3993 5.3993 5.6901 5.6901 6.0501 6.0501 6.4496 6.4496 6.7544 6.7544 6.9642 6.9642 7.5779 7.5779 7.6508 7.6508 8.3542 8.3542 8.9709 8.9709 k = 0.2273 0.1312-0.0000 ( 5330 PWs) bands (ev): -6.8067 -6.8067 -6.0182 -6.0182 -5.4473 -5.4473 -4.5020 -4.5020 -3.9910 -3.9910 -2.6583 -2.6583 -1.6024 -1.6024 -0.4026 -0.4026 -0.0820 -0.0820 1.8191 1.8191 2.7360 2.7360 2.9522 2.9522 3.3439 3.3439 3.6567 3.6567 3.9050 3.9050 4.1290 4.1290 4.2884 4.2884 4.5466 4.5466 5.1112 5.1112 5.3850 5.3850 5.6720 5.6720 6.0066 6.0066 6.3865 6.3865 6.7057 6.7057 6.9884 6.9884 7.6033 7.6033 7.6877 7.6877 8.3914 8.3914 9.0075 9.0075 k = 0.2386 0.1378-0.0000 ( 5334 PWs) bands (ev): -6.7574 -6.7574 -5.9739 -5.9739 -5.4130 -5.4130 -4.4712 -4.4712 -3.9585 -3.9585 -2.6612 -2.6612 -1.6411 -1.6411 -0.4683 -0.4683 -0.1387 -0.1387 1.7065 1.7065 2.6642 2.6642 2.8703 2.8703 3.2829 3.2829 3.5924 3.5924 3.8507 3.8507 4.1052 4.1052 4.1962 4.1962 4.5046 4.5046 5.0360 5.0360 5.3712 5.3712 5.6531 5.6531 5.9615 5.9615 6.3033 6.3033 6.6569 6.6569 7.0146 7.0146 7.6294 7.6294 7.7376 7.7376 8.4213 8.4213 9.0258 9.0258 k = 0.2500 0.1443-0.0000 ( 5320 PWs) bands (ev): -6.7060 -6.7060 -5.9280 -5.9280 -5.3780 -5.3780 -4.4396 -4.4396 -3.9254 -3.9254 -2.6674 -2.6674 -1.6848 -1.6848 -0.5299 -0.5299 -0.1971 -0.1971 1.5977 1.5977 2.5917 2.5917 2.7954 2.7954 3.2238 3.2238 3.5246 3.5246 3.7812 3.7812 4.0705 4.0705 4.1439 4.1439 4.4640 4.4640 4.9638 4.9638 5.3575 5.3575 5.6318 5.6318 5.9149 5.9149 6.2094 6.2094 6.6078 6.6078 7.0397 7.0397 7.6589 7.6589 7.7940 7.7940 8.4437 8.4437 9.0281 9.0281 k = 0.2614 0.1509-0.0000 ( 5330 PWs) bands (ev): -6.6525 -6.6525 -5.8806 -5.8806 -5.3427 -5.3427 -4.4073 -4.4073 -3.8918 -3.8918 -2.6775 -2.6775 -1.7330 -1.7330 -0.5870 -0.5870 -0.2569 -0.2569 1.4925 1.4925 2.5199 2.5199 2.7271 2.7271 3.1670 3.1670 3.4513 3.4513 3.7039 3.7039 4.0098 4.0098 4.1417 4.1417 4.4248 4.4248 4.8953 4.8953 5.3438 5.3438 5.6054 5.6054 5.8671 5.8671 6.1134 6.1134 6.5580 6.5580 7.0626 7.0626 7.6888 7.6888 7.8556 7.8556 8.4589 8.4589 9.0178 9.0178 k = 0.2727 0.1575-0.0000 ( 5336 PWs) bands (ev): -6.5972 -6.5972 -5.8318 -5.8318 -5.3071 -5.3071 -4.3743 -4.3743 -3.8579 -3.8579 -2.6919 -2.6919 -1.7852 -1.7852 -0.6396 -0.6396 -0.3176 -0.3176 1.3911 1.3911 2.4501 2.4501 2.6648 2.6648 3.1124 3.1124 3.3706 3.3706 3.6274 3.6274 3.9501 3.9501 4.1553 4.1553 4.3878 4.3878 4.8309 4.8309 5.3294 5.3294 5.5704 5.5704 5.8180 5.8180 6.0239 6.0239 6.5078 6.5078 7.0830 7.0830 7.7164 7.7164 7.9210 7.9210 8.4677 8.4677 8.9978 8.9978 k = 0.2841 0.1640-0.0000 ( 5346 PWs) bands (ev): -6.5400 -6.5400 -5.7817 -5.7817 -5.2716 -5.2716 -4.3409 -4.3409 -3.8241 -3.8241 -2.7113 -2.7113 -1.8403 -1.8403 -0.6876 -0.6876 -0.3791 -0.3791 1.2935 1.2935 2.3836 2.3836 2.6075 2.6075 3.0601 3.0601 3.2822 3.2822 3.5577 3.5577 3.8965 3.8965 4.1717 4.1717 4.3546 4.3546 4.7714 4.7714 5.3128 5.3128 5.5226 5.5226 5.7691 5.7691 5.9484 5.9484 6.4576 6.4576 7.1007 7.1007 7.7403 7.7403 7.9875 7.9875 8.4710 8.4710 8.9700 8.9700 k = 0.2955 0.1706-0.0000 ( 5344 PWs) bands (ev): -6.4811 -6.4811 -5.7305 -5.7305 -5.2364 -5.2364 -4.3070 -4.3070 -3.7904 -3.7904 -2.7359 -2.7359 -1.8975 -1.8975 -0.7312 -0.7312 -0.4408 -0.4408 1.1997 1.1997 2.3209 2.3209 2.5546 2.5546 3.0101 3.0101 3.1885 3.1885 3.4968 3.4968 3.8485 3.8485 4.1830 4.1830 4.3290 4.3290 4.7181 4.7181 5.2896 5.2896 5.4624 5.4624 5.7229 5.7229 5.8904 5.8904 6.4079 6.4079 7.1160 7.1160 7.7598 7.7598 8.0514 8.0514 8.4697 8.4697 8.9363 8.9363 k = 0.3068 0.1771-0.0000 ( 5336 PWs) bands (ev): -6.4205 -6.4205 -5.6784 -5.6784 -5.2020 -5.2020 -4.2728 -4.2728 -3.7573 -3.7573 -2.7660 -2.7660 -1.9558 -1.9558 -0.7705 -0.7705 -0.5026 -0.5026 1.1099 1.1099 2.2623 2.2623 2.5053 2.5053 2.9622 2.9622 3.0935 3.0935 3.4440 3.4440 3.8055 3.8055 4.1804 4.1804 4.3160 4.3160 4.6728 4.6728 5.2482 5.2482 5.4028 5.4028 5.6814 5.6814 5.8489 5.8489 6.3593 6.3593 7.1290 7.1290 7.7749 7.7749 8.1075 8.1075 8.4647 8.4647 8.8993 8.8993 k = 0.3182 0.1837-0.0000 ( 5342 PWs) bands (ev): -6.3584 -6.3584 -5.6256 -5.6256 -5.1686 -5.1686 -4.2385 -4.2385 -3.7249 -3.7249 -2.8017 -2.8017 -2.0142 -2.0142 -0.8056 -0.8056 -0.5640 -0.5640 1.0241 1.0241 2.2073 2.2073 2.4593 2.4593 2.9165 2.9165 3.0012 3.0012 3.3981 3.3981 3.7668 3.7668 4.1614 4.1614 4.3143 4.3143 4.6383 4.6383 5.1748 5.1748 5.3634 5.3634 5.6438 5.6438 5.8205 5.8205 6.3121 6.3121 7.1398 7.1398 7.7858 7.7858 8.1491 8.1491 8.4571 8.4571 8.8632 8.8632 k = 0.3295 0.1903-0.0000 ( 5334 PWs) bands (ev): -6.2950 -6.2950 -5.5722 -5.5722 -5.1367 -5.1367 -4.2040 -4.2040 -3.6938 -3.6938 -2.8427 -2.8427 -2.0720 -2.0720 -0.8368 -0.8368 -0.6248 -0.6248 0.9427 0.9427 2.1549 2.1549 2.4162 2.4162 2.8729 2.8729 2.9155 2.9155 3.3578 3.3578 3.7321 3.7321 4.1317 4.1317 4.3136 4.3136 4.6175 4.6175 5.0765 5.0765 5.3437 5.3437 5.6085 5.6085 5.8022 5.8022 6.2667 6.2667 7.1487 7.1487 7.7922 7.7922 8.1683 8.1683 8.4484 8.4484 8.8335 8.8335 k = 0.3409 0.1968-0.0000 ( 5334 PWs) bands (ev): -6.2303 -6.2303 -5.5186 -5.5186 -5.1068 -5.1068 -4.1696 -4.1696 -3.6643 -3.6643 -2.8884 -2.8884 -2.1286 -2.1286 -0.8643 -0.8643 -0.6844 -0.6844 0.8656 0.8656 2.1038 2.1038 2.3756 2.3756 2.8306 2.8306 2.8406 2.8406 3.3222 3.3222 3.7011 3.7011 4.0968 4.0968 4.3055 4.3055 4.6115 4.6115 4.9681 4.9681 5.3341 5.3341 5.5747 5.5747 5.7917 5.7917 6.2235 6.2235 7.1558 7.1558 7.7939 7.7939 8.1595 8.1595 8.4402 8.4402 8.8143 8.8143 k = 0.3523 0.2034-0.0000 ( 5352 PWs) bands (ev): -6.1647 -6.1647 -5.4651 -5.4651 -5.0794 -5.0794 -4.1352 -4.1352 -3.6369 -3.6369 -2.9380 -2.9380 -2.1835 -2.1835 -0.8884 -0.8884 -0.7423 -0.7423 0.7933 0.7933 2.0524 2.0524 2.3373 2.3373 2.7748 2.7748 2.7940 2.7940 3.2907 3.2907 3.6738 3.6738 4.0591 4.0591 4.2881 4.2881 4.6152 4.6152 4.8607 4.8607 5.3302 5.3302 5.5424 5.5424 5.7873 5.7873 6.1827 6.1827 7.1613 7.1613 7.7897 7.7897 8.1242 8.1242 8.4329 8.4329 8.8045 8.8045 k = 0.3636 0.2099-0.0000 ( 5342 PWs) bands (ev): -6.0984 -6.0984 -5.4119 -5.4119 -5.0549 -5.0549 -4.1010 -4.1010 -3.6121 -3.6121 -2.9903 -2.9903 -2.2363 -2.2363 -0.9100 -0.9100 -0.7976 -0.7976 0.7259 0.7259 1.9995 1.9995 2.3010 2.3010 2.7263 2.7263 2.7575 2.7575 3.2628 3.2628 3.6498 3.6498 4.0200 4.0200 4.2637 4.2637 4.6110 4.6110 4.7712 4.7712 5.3303 5.3303 5.5115 5.5115 5.7880 5.7880 6.1449 6.1449 7.1655 7.1655 7.7770 7.7770 8.0716 8.0716 8.4258 8.4258 8.7992 8.7992 k = 0.3750 0.2165-0.0000 ( 5338 PWs) bands (ev): -6.0315 -6.0315 -5.3595 -5.3595 -5.0339 -5.0339 -4.0671 -4.0671 -3.5905 -3.5905 -3.0441 -3.0441 -2.2866 -2.2866 -0.9312 -0.9312 -0.8482 -0.8482 0.6637 0.6637 1.9445 1.9445 2.2667 2.2667 2.6931 2.6931 2.7241 2.7241 3.2381 3.2381 3.6292 3.6292 3.9798 3.9798 4.2349 4.2349 4.5608 4.5608 4.7360 4.7360 5.3336 5.3336 5.4823 5.4823 5.7927 5.7927 6.1108 6.1108 7.1685 7.1685 7.7511 7.7511 8.0144 8.0144 8.4185 8.4185 8.7939 8.7939 k = 0.3864 0.2231-0.0000 ( 5334 PWs) bands (ev): -5.9646 -5.9646 -5.3084 -5.3084 -5.0169 -5.0169 -4.0336 -4.0336 -3.5726 -3.5726 -3.0980 -3.0980 -2.3340 -2.3340 -0.9564 -0.9564 -0.8892 -0.8892 0.6068 0.6068 1.8875 1.8875 2.2345 2.2345 2.6740 2.6740 2.6952 2.6952 3.2163 3.2163 3.6115 3.6115 3.9388 3.9388 4.2030 4.2030 4.4727 4.4727 4.7463 4.7463 5.3398 5.3398 5.4550 5.4550 5.8005 5.8005 6.0812 6.0812 7.1705 7.1705 7.7060 7.7060 7.9656 7.9656 8.4110 8.4110 8.7871 8.7871 k = 0.3977 0.2296-0.0000 ( 5342 PWs) bands (ev): -5.8979 -5.8979 -5.2590 -5.2590 -5.0045 -5.0045 -4.0007 -4.0007 -3.5590 -3.5590 -3.1506 -3.1506 -2.3780 -2.3780 -0.9910 -0.9910 -0.9154 -0.9154 0.5555 0.5555 1.8296 1.8296 2.2046 2.2046 2.6574 2.6574 2.6815 2.6815 3.1970 3.1970 3.5964 3.5964 3.8973 3.8973 4.1671 4.1671 4.3811 4.3811 4.7690 4.7690 5.3484 5.3484 5.4298 5.4298 5.8099 5.8099 6.0578 6.0578 7.1716 7.1716 7.6401 7.6401 7.9317 7.9317 8.4035 8.4035 8.7787 8.7787 k = 0.4091 0.2362-0.0000 ( 5342 PWs) bands (ev): -5.8321 -5.8321 -5.2119 -5.2119 -4.9970 -4.9970 -3.9686 -3.9686 -3.5499 -3.5499 -3.2006 -3.2006 -2.4181 -2.4181 -1.0317 -1.0317 -0.9299 -0.9299 0.5099 0.5099 1.7722 1.7722 2.1773 2.1773 2.6342 2.6342 2.6905 2.6905 3.1801 3.1801 3.5830 3.5830 3.8553 3.8553 4.1237 4.1237 4.3012 4.3012 4.7936 4.7936 5.3586 5.3586 5.4071 5.4071 5.8188 5.8188 6.0427 6.0427 7.1721 7.1721 7.5592 7.5592 7.9104 7.9104 8.3963 8.3963 8.7697 8.7698 k = 0.4205 0.2427-0.0000 ( 5344 PWs) bands (ev): -5.7677 -5.7677 -5.1678 -5.1678 -4.9945 -4.9945 -3.9378 -3.9378 -3.5451 -3.5451 -3.2472 -3.2472 -2.4538 -2.4538 -1.0728 -1.0728 -0.9383 -0.9383 0.4700 0.4700 1.7170 1.7170 2.1528 2.1528 2.6119 2.6119 2.7128 2.7128 3.1652 3.1652 3.5699 3.5699 3.8135 3.8135 4.0694 4.0694 4.2409 4.2409 4.8167 4.8167 5.3683 5.3683 5.3885 5.3885 5.8244 5.8244 6.0386 6.0386 7.1718 7.1718 7.4711 7.4711 7.8969 7.8969 8.3897 8.3897 8.7610 8.7610 k = 0.4318 0.2493-0.0000 ( 5352 PWs) bands (ev): -5.7056 -5.7056 -5.1274 -5.1274 -4.9970 -4.9970 -3.9088 -3.9088 -3.5439 -3.5439 -3.2897 -3.2897 -2.4846 -2.4846 -1.1112 -1.1112 -0.9434 -0.9434 0.4359 0.4359 1.6657 1.6657 2.1314 2.1314 2.5922 2.5922 2.7451 2.7451 3.1520 3.1520 3.5545 3.5545 3.7737 3.7737 4.0075 4.0075 4.2002 4.2002 4.8370 4.8370 5.3633 5.3633 5.3877 5.3877 5.8248 5.8248 6.0471 6.0471 7.1708 7.1708 7.3820 7.3820 7.8879 7.8879 8.3836 8.3836 8.7533 8.7533 k = 0.4432 0.2559-0.0000 ( 5354 PWs) bands (ev): -5.6469 -5.6469 -5.0915 -5.0915 -5.0040 -5.0040 -3.8824 -3.8824 -3.5446 -3.5446 -3.3282 -3.3282 -2.5104 -2.5104 -1.1456 -1.1456 -0.9466 -0.9466 0.4075 0.4075 1.6196 1.6196 2.1130 2.1130 2.5753 2.5753 2.7852 2.7852 3.1402 3.1402 3.5328 3.5328 3.7395 3.7395 3.9462 3.9462 4.1729 4.1729 4.8542 4.8542 5.3489 5.3489 5.3987 5.3987 5.8200 5.8200 6.0669 6.0669 7.1683 7.1683 7.2969 7.2969 7.8815 7.8815 8.3784 8.3784 8.7469 8.7470 k = 0.4545 0.2624-0.0000 ( 5354 PWs) bands (ev): -5.5931 -5.5931 -5.0613 -5.0613 -5.0143 -5.0143 -3.8596 -3.8596 -3.5452 -3.5452 -3.3628 -3.3628 -2.5310 -2.5310 -1.1749 -1.1749 -0.9485 -0.9485 0.3846 0.3846 1.5802 1.5802 2.0979 2.0979 2.5613 2.5613 2.8309 2.8309 3.1294 3.1294 3.5012 3.5012 3.7158 3.7158 3.8914 3.8914 4.1537 4.1537 4.8680 4.8680 5.3360 5.3360 5.4099 5.4099 5.8123 5.8123 6.0943 6.0943 7.1599 7.1599 7.2242 7.2242 7.8769 7.8769 8.3740 8.3740 8.7424 8.7425 k = 0.4659 0.2690-0.0000 ( 5356 PWs) bands (ev): -5.5462 -5.5462 -5.0411 -5.0411 -5.0226 -5.0226 -3.8414 -3.8414 -3.5435 -3.5435 -3.3937 -3.3937 -2.5466 -2.5466 -1.1984 -1.1984 -0.9495 -0.9495 0.3670 0.3670 1.5483 1.5483 2.0861 2.0861 2.5504 2.5504 2.8795 2.8795 3.1187 3.1187 3.4608 3.4608 3.7048 3.7048 3.8454 3.8454 4.1402 4.1402 4.8785 4.8785 5.3257 5.3257 5.4196 5.4196 5.8040 5.8040 6.1243 6.1243 7.1255 7.1255 7.1879 7.1879 7.8736 7.8736 8.3706 8.3706 8.7400 8.7400 k = 0.4773 0.2756-0.0000 ( 5362 PWs) bands (ev): -5.5089 -5.5089 -5.0451 -5.0451 -5.0131 -5.0131 -3.8284 -3.8284 -3.5384 -3.5384 -3.4205 -3.4205 -2.5574 -2.5574 -1.2156 -1.2156 -0.9501 -0.9501 0.3547 0.3547 1.5250 1.5250 2.0776 2.0776 2.5426 2.5426 2.9270 2.9270 3.1072 3.1072 3.4192 3.4192 3.7045 3.7045 3.8086 3.8086 4.1311 4.1311 4.8859 4.8859 5.3182 5.3182 5.4271 5.4271 5.7968 5.7968 6.1516 6.1516 7.0773 7.0773 7.1804 7.1804 7.8713 7.8713 8.3681 8.3681 8.7398 8.7398 k = 0.4886 0.2821-0.0000 ( 5362 PWs) bands (ev): -5.4845 -5.4845 -5.0538 -5.0538 -5.0028 -5.0028 -3.8208 -3.8208 -3.5314 -3.5314 -3.4407 -3.4407 -2.5637 -2.5637 -1.2261 -1.2261 -0.9503 -0.9503 0.3473 0.3473 1.5107 1.5107 2.0725 2.0725 2.5379 2.5379 2.9663 2.9663 3.0950 3.0950 3.3871 3.3871 3.7103 3.7103 3.7820 3.7820 4.1258 4.1258 4.8902 4.8902 5.3137 5.3137 5.4318 5.4318 5.7921 5.7921 6.1709 6.1709 7.0432 7.0432 7.1783 7.1783 7.8700 7.8700 8.3666 8.3666 8.7420 8.7420 k = 0.5000 0.2887-0.0000 ( 5360 PWs) bands (ev): -5.4759 -5.4759 -5.0573 -5.0573 -4.9992 -4.9992 -3.8183 -3.8183 -3.5276 -3.5276 -3.4489 -3.4489 -2.5658 -2.5658 -1.2297 -1.2297 -0.9504 -0.9504 0.3449 0.3449 1.5059 1.5059 2.0708 2.0708 2.5364 2.5364 2.9833 2.9833 3.0883 3.0883 3.3749 3.3749 3.7146 3.7146 3.7710 3.7710 4.1241 4.1241 4.8917 4.8917 5.3121 5.3121 5.4334 5.4334 5.7904 5.7904 6.1779 6.1779 7.0311 7.0311 7.1778 7.1778 7.8696 7.8696 8.3661 8.3661 8.7462 8.7462 k = 0.5000 0.2887-0.0000 ( 5360 PWs) bands (ev): -5.4759 -5.4759 -5.0573 -5.0573 -4.9992 -4.9992 -3.8183 -3.8183 -3.5276 -3.5276 -3.4489 -3.4489 -2.5658 -2.5658 -1.2297 -1.2297 -0.9504 -0.9504 0.3449 0.3449 1.5059 1.5059 2.0708 2.0708 2.5364 2.5364 2.9833 2.9833 3.0883 3.0883 3.3749 3.3749 3.7146 3.7146 3.7710 3.7710 4.1241 4.1241 4.8917 4.8917 5.3121 5.3121 5.4334 5.4334 5.7904 5.7904 6.1779 6.1779 7.0311 7.0311 7.1778 7.1778 7.8696 7.8696 8.3661 8.3661 8.7462 8.7462 k = 0.4933 0.3002-0.0000 ( 5350 PWs) bands (ev): -5.4750 -5.4750 -5.0564 -5.0564 -4.9984 -4.9984 -3.8175 -3.8175 -3.5272 -3.5272 -3.4483 -3.4483 -2.5670 -2.5670 -1.2300 -1.2300 -0.9529 -0.9529 0.3462 0.3462 1.5071 1.5071 2.0685 2.0685 2.5282 2.5282 2.9816 2.9816 3.0875 3.0875 3.3677 3.3677 3.6691 3.6691 3.8291 3.8291 4.1312 4.1312 4.8742 4.8742 5.2419 5.2419 5.4910 5.4910 5.8072 5.8072 6.1948 6.1948 7.0323 7.0323 7.1620 7.1620 7.8277 7.8277 8.4088 8.4088 8.7478 8.7479 k = 0.4867 0.3118-0.0000 ( 5354 PWs) bands (ev): -5.4724 -5.4724 -5.0537 -5.0537 -4.9959 -4.9959 -3.8153 -3.8153 -3.5259 -3.5259 -3.4467 -3.4467 -2.5706 -2.5706 -1.2310 -1.2310 -0.9602 -0.9602 0.3500 0.3500 1.5104 1.5104 2.0617 2.0617 2.5042 2.5042 2.9758 2.9758 3.0845 3.0845 3.3509 3.3509 3.6134 3.6134 3.9202 3.9202 4.1496 4.1496 4.8245 4.8245 5.1330 5.1330 5.5620 5.5620 5.8573 5.8573 6.2422 6.2422 7.0351 7.0351 7.1191 7.1191 7.7308 7.7308 8.5072 8.5072 8.7697 8.7697 k = 0.4800 0.3233-0.0000 ( 5352 PWs) bands (ev): -5.4679 -5.4679 -5.0493 -5.0493 -4.9918 -4.9918 -3.8115 -3.8115 -3.5237 -3.5237 -3.4440 -3.4440 -2.5768 -2.5768 -1.2328 -1.2328 -0.9722 -0.9722 0.3564 0.3564 1.5161 1.5161 2.0501 2.0501 2.4659 2.4659 2.9645 2.9645 3.0797 3.0797 3.3339 3.3339 3.5636 3.5636 4.0226 4.0226 4.1721 4.1721 4.7486 4.7486 5.0297 5.0297 5.6098 5.6098 5.9339 5.9339 6.3107 6.3107 7.0310 7.0310 7.0685 7.0685 7.6153 7.6153 8.6208 8.6208 8.8127 8.8127 k = 0.4733 0.3349-0.0000 ( 5342 PWs) bands (ev): -5.4618 -5.4618 -5.0431 -5.0431 -4.9860 -4.9860 -3.8062 -3.8062 -3.5207 -3.5207 -3.4403 -3.4403 -2.5855 -2.5855 -1.2353 -1.2353 -0.9885 -0.9885 0.3653 0.3653 1.5239 1.5239 2.0330 2.0330 2.4153 2.4153 2.9460 2.9460 3.0749 3.0749 3.3220 3.3220 3.5207 3.5207 4.1315 4.1315 4.1886 4.1886 4.6532 4.6532 4.9471 4.9471 5.6388 5.6388 6.0210 6.0210 6.3832 6.3832 6.9848 6.9848 7.0636 7.0636 7.4998 7.4998 8.7247 8.7247 8.8815 8.8815 k = 0.4667 0.3464-0.0000 ( 5346 PWs) bands (ev): -5.4539 -5.4539 -5.0352 -5.0352 -4.9787 -4.9787 -3.7995 -3.7995 -3.5169 -3.5169 -3.4356 -3.4356 -2.5969 -2.5969 -1.2386 -1.2386 -1.0088 -1.0088 0.3768 0.3768 1.5340 1.5340 2.0098 2.0098 2.3550 2.3550 2.9211 2.9211 3.0725 3.0725 3.3135 3.3135 3.4875 3.4875 4.1856 4.1856 4.2433 4.2433 4.5484 4.5484 4.8956 4.8956 5.6563 5.6563 6.1007 6.1007 6.4331 6.4331 6.9489 6.9489 7.0795 7.0795 7.3966 7.3966 8.8104 8.8104 8.9730 8.9730 k = 0.4600 0.3580-0.0000 ( 5342 PWs) bands (ev): -5.4444 -5.4444 -5.0257 -5.0257 -4.9698 -4.9698 -3.7913 -3.7913 -3.5124 -3.5124 -3.4299 -3.4299 -2.6112 -2.6112 -1.2428 -1.2428 -1.0326 -1.0326 0.3908 0.3908 1.5462 1.5462 1.9802 1.9802 2.2875 2.2875 2.8931 2.8931 3.0730 3.0730 3.3021 3.3021 3.4682 3.4682 4.1587 4.1587 4.3245 4.3245 4.4693 4.4693 4.8803 4.8803 5.6663 5.6663 6.1557 6.1557 6.4340 6.4340 6.9591 6.9591 7.1081 7.1081 7.3194 7.3194 8.8873 8.8873 9.0693 9.0693 k = 0.4533 0.3695-0.0000 ( 5342 PWs) bands (ev): -5.4334 -5.4334 -5.0145 -5.0145 -4.9594 -4.9594 -3.7817 -3.7817 -3.5073 -3.5073 -3.4234 -3.4234 -2.6284 -2.6284 -1.2480 -1.2480 -1.0592 -1.0592 0.4073 0.4073 1.5606 1.5606 1.9438 1.9438 2.2154 2.2154 2.8654 2.8654 3.0756 3.0756 3.2837 3.2837 3.4650 3.4650 4.1035 4.1035 4.2737 4.2737 4.5262 4.5262 4.8983 4.8983 5.6698 5.6698 6.1681 6.1681 6.3915 6.3915 6.9980 6.9980 7.1605 7.1605 7.2860 7.2860 8.9636 8.9636 9.1540 9.1540 k = 0.4467 0.3811-0.0000 ( 5346 PWs) bands (ev): -5.4207 -5.4207 -5.0019 -5.0019 -4.9477 -4.9477 -3.7709 -3.7709 -3.5017 -3.5017 -3.4161 -3.4161 -2.6487 -2.6487 -1.2542 -1.2542 -1.0880 -1.0880 0.4263 0.4263 1.5769 1.5769 1.9007 1.9007 2.1407 2.1407 2.8401 2.8401 3.0788 3.0788 3.2596 3.2596 3.4747 3.4747 4.0245 4.0245 4.1761 4.1761 4.6390 4.6390 4.9417 4.9417 5.6652 5.6652 6.1319 6.1319 6.3279 6.3279 7.0285 7.0285 7.2376 7.2376 7.3178 7.3178 9.0370 9.0370 9.2168 9.2168 k = 0.4400 0.3926-0.0000 ( 5350 PWs) bands (ev): -5.4067 -5.4067 -4.9878 -4.9878 -4.9346 -4.9346 -3.7587 -3.7587 -3.4956 -3.4956 -3.4081 -3.4081 -2.6723 -2.6723 -1.2615 -1.2615 -1.1184 -1.1184 0.4478 0.4478 1.5951 1.5951 1.8518 1.8518 2.0651 2.0651 2.8178 2.8178 3.0806 3.0806 3.2340 3.2340 3.4922 3.4922 3.9296 3.9296 4.0844 4.0844 4.7574 4.7574 5.0019 5.0019 5.6480 5.6480 6.0664 6.0664 6.2478 6.2478 7.0485 7.0485 7.3158 7.3158 7.4202 7.4202 9.0869 9.0869 9.2267 9.2267 k = 0.4333 0.4041-0.0000 ( 5352 PWs) bands (ev): -5.3913 -5.3913 -4.9724 -4.9724 -4.9204 -4.9204 -3.7454 -3.7454 -3.4892 -3.4892 -3.3994 -3.3994 -2.6993 -2.6993 -1.2699 -1.2699 -1.1496 -1.1496 0.4718 0.4718 1.6143 1.6143 1.7987 1.7987 1.9901 1.9901 2.7980 2.7980 3.0782 3.0782 3.2103 3.2103 3.5132 3.5132 3.8290 3.8290 4.0040 4.0040 4.8737 4.8737 5.0727 5.0727 5.6117 5.6117 5.9993 5.9993 6.1512 6.1512 7.0666 7.0666 7.4049 7.4049 7.5525 7.5525 9.0616 9.0616 9.1924 9.1924 k = 0.4267 0.4157-0.0000 ( 5355 PWs) bands (ev): -5.3747 -5.3747 -4.9558 -4.9558 -4.9051 -4.9051 -3.7310 -3.7310 -3.4827 -3.4827 -3.3903 -3.3903 -2.7295 -2.7295 -1.2796 -1.2796 -1.1811 -1.1811 0.4982 0.4982 1.6330 1.6330 1.7441 1.7441 1.9167 1.9167 2.7791 2.7791 3.0682 3.0682 3.1912 3.1912 3.5344 3.5344 3.7333 3.7333 3.9357 3.9357 4.9820 4.9820 5.1497 5.1497 5.5541 5.5541 5.9444 5.9444 6.0469 6.0469 7.0851 7.0851 7.5063 7.5063 7.6893 7.6893 8.9756 8.9756 9.1598 9.1598 k = 0.4200 0.4272-0.0000 ( 5357 PWs) bands (ev): -5.3570 -5.3570 -4.9381 -4.9381 -4.8889 -4.8889 -3.7155 -3.7155 -3.4762 -3.4762 -3.3808 -3.3808 -2.7631 -2.7631 -1.2904 -1.2904 -1.2120 -1.2120 0.5270 0.5270 1.6417 1.6417 1.6971 1.6971 1.8474 1.8474 2.7586 2.7586 3.0476 3.0476 3.1774 3.1774 3.5503 3.5503 3.6536 3.6536 3.8809 3.8809 5.0700 5.0700 5.2297 5.2297 5.4893 5.4893 5.8774 5.8774 5.9689 5.9689 7.1041 7.1041 7.6124 7.6124 7.8176 7.8176 8.8818 8.8818 9.1169 9.1169 k = 0.4133 0.4388-0.0000 ( 5365 PWs) bands (ev): -5.3384 -5.3384 -4.9196 -4.9196 -4.8720 -4.8720 -3.6992 -3.6992 -3.4699 -3.4699 -3.3710 -3.3710 -2.7997 -2.7997 -1.3024 -1.3024 -1.2420 -1.2420 0.5582 0.5582 1.6095 1.6095 1.6824 1.6824 1.7904 1.7904 2.7334 2.7334 3.0150 3.0150 3.1680 3.1680 3.5431 3.5431 3.6122 3.6122 3.8419 3.8419 5.1063 5.1063 5.3096 5.3096 5.4557 5.4557 5.7701 5.7701 5.9460 5.9460 7.1234 7.1234 7.7146 7.7146 7.9225 7.9225 8.8065 8.8065 9.0724 9.0724 k = 0.4067 0.4503-0.0000 ( 5373 PWs) bands (ev): -5.3191 -5.3191 -4.9004 -4.9004 -4.8546 -4.8546 -3.6821 -3.6821 -3.4641 -3.4641 -3.3611 -3.3611 -2.8392 -2.8392 -1.3156 -1.3156 -1.2704 -1.2704 0.5917 0.5917 1.5571 1.5571 1.6558 1.6558 1.7706 1.7706 2.7008 2.7008 2.9702 2.9702 3.1627 3.1627 3.5125 3.5125 3.6118 3.6118 3.8206 3.8206 5.0621 5.0621 5.3867 5.3867 5.4799 5.4799 5.6628 5.6628 5.9458 5.9458 7.1428 7.1428 7.8039 7.8039 7.9839 7.9839 8.7727 8.7727 9.0382 9.0382 k = 0.4000 0.4619-0.0000 ( 5377 PWs) bands (ev): -5.2992 -5.2992 -4.8807 -4.8807 -4.8370 -4.8370 -3.6644 -3.6644 -3.4588 -3.4588 -3.3510 -3.3510 -2.8811 -2.8811 -1.3299 -1.3299 -1.2967 -1.2967 0.6276 0.6276 1.5038 1.5038 1.6006 1.6006 1.7870 1.7870 2.6592 2.6592 2.9138 2.9138 3.1631 3.1631 3.4922 3.4922 3.6185 3.6185 3.8165 3.8165 4.9667 4.9667 5.4287 5.4287 5.5007 5.5007 5.6348 5.6348 5.9552 5.9552 7.1620 7.1620 7.8705 7.8705 7.9862 7.9862 8.7967 8.7967 9.0263 9.0263 k = 0.3933 0.4734-0.0000 ( 5371 PWs) bands (ev): -5.2790 -5.2790 -4.8607 -4.8607 -4.8194 -4.8194 -3.6461 -3.6461 -3.4544 -3.4544 -3.3410 -3.3410 -2.9247 -2.9247 -1.3454 -1.3454 -1.3203 -1.3203 0.6658 0.6658 1.4526 1.4526 1.5383 1.5383 1.8158 1.8158 2.6088 2.6088 2.8492 2.8492 3.1713 3.1713 3.4872 3.4872 3.6254 3.6254 3.8263 3.8263 4.8527 4.8527 5.3402 5.3402 5.5639 5.5639 5.7073 5.7073 5.9710 5.9710 7.1807 7.1807 7.9016 7.9016 7.9406 7.9406 8.8715 8.8715 9.0474 9.0474 k = 0.3867 0.4850-0.0000 ( 5363 PWs) bands (ev): -5.2589 -5.2589 -4.8409 -4.8409 -4.8023 -4.8023 -3.6276 -3.6276 -3.4511 -3.4511 -3.3310 -3.3310 -2.9694 -2.9694 -1.3617 -1.3617 -1.3410 -1.3410 0.7062 0.7062 1.4044 1.4044 1.4764 1.4764 1.8495 1.8495 2.5514 2.5514 2.7804 2.7804 3.1878 3.1878 3.4941 3.4941 3.6341 3.6341 3.8449 3.8449 4.7330 4.7330 5.2217 5.2217 5.6397 5.6397 5.7977 5.7977 5.9931 5.9931 7.1984 7.1984 7.8421 7.8421 7.9211 7.9211 8.9739 8.9739 9.1074 9.1074 k = 0.3800 0.4965-0.0000 ( 5365 PWs) bands (ev): -5.2390 -5.2390 -4.8215 -4.8215 -4.7860 -4.7860 -3.6089 -3.6089 -3.4492 -3.4492 -3.3211 -3.3211 -3.0144 -3.0144 -1.3784 -1.3784 -1.3588 -1.3588 0.7489 0.7489 1.3592 1.3592 1.4170 1.4170 1.8863 1.8863 2.4898 2.4898 2.7113 2.7113 3.2122 3.2122 3.5087 3.5087 3.6464 3.6464 3.8680 3.8680 4.6133 4.6133 5.1022 5.1022 5.7138 5.7138 5.8829 5.8829 6.0248 6.0248 7.2143 7.2143 7.7429 7.7429 7.8986 7.8986 9.0854 9.0854 9.2039 9.2039 k = 0.3733 0.5081-0.0000 ( 5361 PWs) bands (ev): -5.2198 -5.2198 -4.8029 -4.8029 -4.7709 -4.7709 -3.5903 -3.5903 -3.4489 -3.4489 -3.3113 -3.3113 -3.0585 -3.0585 -1.3944 -1.3944 -1.3742 -1.3742 0.7936 0.7936 1.3165 1.3165 1.3616 1.3616 1.9250 1.9250 2.4269 2.4269 2.6448 2.6448 3.2432 3.2432 3.5279 3.5279 3.6632 3.6632 3.8923 3.8923 4.4968 4.4968 4.9872 4.9872 5.7839 5.7839 5.9494 5.9494 6.0739 6.0739 7.2275 7.2275 7.6378 7.6378 7.8593 7.8593 9.2007 9.2007 9.3241 9.3241 k = 0.3667 0.5196-0.0000 ( 5361 PWs) bands (ev): -5.2017 -5.2017 -4.7856 -4.7856 -4.7576 -4.7576 -3.5719 -3.5719 -3.4505 -3.4505 -3.3015 -3.3015 -3.1008 -3.1008 -1.4087 -1.4087 -1.3877 -1.3877 0.8405 0.8405 1.2753 1.2753 1.3114 1.3114 1.9653 1.9653 2.3656 2.3656 2.5826 2.5826 3.2799 3.2799 3.5488 3.5488 3.6842 3.6842 3.9152 3.9152 4.3860 4.3860 4.8802 4.8802 5.8482 5.8482 5.9930 5.9930 6.1411 6.1411 7.2363 7.2363 7.5353 7.5353 7.8115 7.8115 9.3198 9.3198 9.4528 9.4528 k = 0.3600 0.5312-0.0000 ( 5365 PWs) bands (ev): -5.1852 -5.1852 -4.7699 -4.7699 -4.7464 -4.7464 -3.5541 -3.5541 -3.4542 -3.4542 -3.2915 -3.2915 -3.1400 -3.1400 -1.4209 -1.4209 -1.3993 -1.3993 0.8892 0.8892 1.2345 1.2345 1.2675 1.2675 2.0063 2.0063 2.3084 2.3084 2.5264 2.5264 3.3211 3.3211 3.5682 3.5682 3.7083 3.7083 3.9344 3.9344 4.2835 4.2835 4.7849 4.7849 5.9051 5.9051 6.0235 6.0235 6.2127 6.2127 7.2384 7.2384 7.4422 7.4422 7.7634 7.7634 9.4403 9.4403 9.5789 9.5789 k = 0.3533 0.5427-0.0000 ( 5361 PWs) bands (ev): -5.1710 -5.1710 -4.7565 -4.7565 -4.7378 -4.7378 -3.5369 -3.5369 -3.4601 -3.4601 -3.2812 -3.2812 -3.1752 -3.1752 -1.4307 -1.4307 -1.4088 -1.4088 0.9397 0.9397 1.1942 1.1942 1.2298 1.2298 2.0470 2.0470 2.2572 2.2572 2.4778 2.4778 3.3658 3.3658 3.5817 3.5817 3.7342 3.7342 3.9490 3.9490 4.1918 4.1918 4.7057 4.7057 5.9525 5.9525 6.0482 6.0482 6.2771 6.2771 7.2305 7.2305 7.3670 7.3670 7.7214 7.7214 9.5581 9.5581 9.6931 9.6931 k = 0.3467 0.5543-0.0000 ( 5367 PWs) bands (ev): -5.1598 -5.1598 -4.7460 -4.7460 -4.7320 -4.7320 -3.5205 -3.5205 -3.4682 -3.4682 -3.2704 -3.2704 -3.2051 -3.2051 -1.4378 -1.4378 -1.4159 -1.4159 0.9915 0.9915 1.1560 1.1560 1.1968 1.1968 2.0855 2.0855 2.2139 2.2139 2.4389 2.4389 3.4126 3.4126 3.5835 3.5835 3.7594 3.7594 3.9611 3.9611 4.1132 4.1132 4.6471 4.6471 5.9887 5.9887 6.0684 6.0684 6.3266 6.3266 7.2111 7.2111 7.3174 7.3174 7.6903 7.6903 9.6669 9.6669 9.7844 9.7844 k = 0.3400 0.5658-0.0000 ( 5379 PWs) bands (ev): -5.1523 -5.1523 -4.7391 -4.7391 -4.7287 -4.7287 -3.5052 -3.5052 -3.4785 -3.4785 -3.2589 -3.2589 -3.2288 -3.2288 -1.4421 -1.4421 -1.4203 -1.4203 1.0426 1.0426 1.1219 1.1219 1.1683 1.1683 2.1183 2.1183 2.1806 2.1806 2.4127 2.4127 3.4583 3.4583 3.5694 3.5694 3.7802 3.7802 3.9762 3.9762 4.0498 4.0498 4.6125 4.6125 6.0119 6.0119 6.0827 6.0827 6.3561 6.3561 7.1903 7.1903 7.2919 7.2919 7.6721 7.6721 9.7562 9.7562 9.8403 9.8403 k = 0.3333 0.5774-0.0000 ( 5379 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4912 -3.4912 -3.4909 -3.4909 -3.2485 -3.2485 -3.2435 -3.2435 -1.4436 -1.4436 -1.4218 -1.4218 1.0758 1.0758 1.1014 1.1014 1.1517 1.1517 2.1341 2.1341 2.1653 2.1653 2.4032 2.4032 3.4856 3.4856 3.5527 3.5527 3.7895 3.7895 3.9922 3.9922 4.0147 4.0147 4.6016 4.6016 6.0202 6.0202 6.0881 6.0881 6.3650 6.3650 7.1822 7.1822 7.2837 7.2837 7.6664 7.6664 9.7976 9.7976 9.8588 9.8588 k = 0.3333 0.5774-0.0000 ( 5379 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4912 -3.4912 -3.4909 -3.4909 -3.2485 -3.2485 -3.2435 -3.2435 -1.4436 -1.4436 -1.4218 -1.4218 1.0758 1.0758 1.1014 1.1014 1.1517 1.1517 2.1341 2.1341 2.1653 2.1653 2.4032 2.4032 3.4856 3.4856 3.5527 3.5527 3.7895 3.7895 3.9922 3.9922 4.0147 4.0147 4.6016 4.6016 6.0202 6.0202 6.0881 6.0881 6.3650 6.3650 7.1822 7.1822 7.2837 7.2837 7.6664 7.6664 9.7976 9.7976 9.8588 9.8588 k = 0.3267 0.5658-0.0000 ( 5379 PWs) bands (ev): -5.1526 -5.1526 -4.7388 -4.7388 -4.7290 -4.7290 -3.5057 -3.5057 -3.4781 -3.4781 -3.2557 -3.2557 -3.2317 -3.2317 -1.4421 -1.4421 -1.4202 -1.4202 1.0569 1.0569 1.0956 1.0956 1.1802 1.1802 2.1258 2.1258 2.1727 2.1727 2.4131 2.4131 3.4540 3.4540 3.5730 3.5730 3.7792 3.7792 3.9868 3.9868 4.0423 4.0423 4.6110 4.6110 6.0108 6.0108 6.0819 6.0819 6.3592 6.3592 7.1888 7.1888 7.2933 7.2933 7.6713 7.6713 9.7647 9.7647 9.8408 9.8408 k = 0.3200 0.5543-0.0000 ( 5375 PWs) bands (ev): -5.1624 -5.1624 -4.7440 -4.7440 -4.7338 -4.7338 -3.5226 -3.5226 -3.4665 -3.4665 -3.2570 -3.2570 -3.2163 -3.2163 -1.4376 -1.4376 -1.4155 -1.4155 1.0336 1.0336 1.0761 1.0761 1.2351 1.2351 2.1179 2.1179 2.1797 2.1797 2.4410 2.4410 3.3951 3.3951 3.5895 3.5895 3.7652 3.7652 4.0038 4.0038 4.0871 4.0871 4.6363 4.6363 5.9809 5.9809 6.0617 6.0617 6.3493 6.3493 7.2035 7.2035 7.3242 7.3242 7.6847 7.6847 9.6982 9.6982 9.8071 9.8071 k = 0.3133 0.5427-0.0000 ( 5367 PWs) bands (ev): -5.1797 -5.1797 -4.7515 -4.7515 -4.7425 -4.7425 -3.5420 -3.5420 -3.4562 -3.4562 -3.2501 -3.2501 -3.1992 -3.1992 -1.4299 -1.4299 -1.4074 -1.4074 1.0129 1.0129 1.0569 1.0569 1.2955 1.2955 2.1157 2.1157 2.1851 2.1851 2.4819 2.4819 3.3303 3.3303 3.5642 3.5642 3.7824 3.7824 4.0385 4.0385 4.1395 4.1395 4.6731 4.6731 5.9307 5.9307 6.0270 6.0270 6.3438 6.3438 7.2223 7.2223 7.3744 7.3744 7.7047 7.7047 9.6170 9.6170 9.7660 9.7660 k = 0.3067 0.5312-0.0000 ( 5363 PWs) bands (ev): -5.2051 -5.2051 -4.7629 -4.7629 -4.7532 -4.7532 -3.5640 -3.5640 -3.4475 -3.4475 -3.2348 -3.2348 -3.1802 -3.1802 -1.4191 -1.4191 -1.3961 -1.3961 0.9949 0.9949 1.0413 1.0413 1.3586 1.3586 2.1189 2.1189 2.1929 2.1929 2.5313 2.5313 3.2659 3.2659 3.5073 3.5073 3.8281 3.8281 4.0827 4.0827 4.1975 4.1975 4.7185 4.7185 5.8640 5.8640 5.9789 5.9789 6.3456 6.3456 7.2448 7.2448 7.4374 7.4374 7.7305 7.7305 9.5285 9.5285 9.7176 9.7176 k = 0.3000 0.5196-0.0000 ( 5373 PWs) bands (ev): -5.2384 -5.2384 -4.7809 -4.7809 -4.7628 -4.7628 -3.5886 -3.5886 -3.4404 -3.4404 -3.2112 -3.2112 -3.1593 -3.1593 -1.4052 -1.4052 -1.3815 -1.3815 0.9796 0.9796 1.0307 1.0307 1.4236 1.4236 2.1263 2.1263 2.2059 2.2059 2.5862 2.5862 3.2055 3.2055 3.4398 3.4398 3.8855 3.8855 4.1327 4.1327 4.2598 4.2598 4.7703 4.7703 5.7859 5.7859 5.9205 5.9205 6.3535 6.3535 7.2703 7.2703 7.5072 7.5072 7.7613 7.7613 9.4370 9.4370 9.6589 9.6589 k = 0.2933 0.5081-0.0000 ( 5369 PWs) bands (ev): -5.2793 -5.2793 -4.8050 -4.8050 -4.7717 -4.7717 -3.6158 -3.6158 -3.4353 -3.4353 -3.1798 -3.1798 -3.1363 -3.1363 -1.3883 -1.3883 -1.3637 -1.3637 0.9676 0.9676 1.0255 1.0255 1.4901 1.4901 2.1369 2.1369 2.2248 2.2248 2.6448 2.6448 3.1512 3.1512 3.3709 3.3709 3.9477 3.9477 4.1865 4.1865 4.3257 4.3257 4.8267 4.8267 5.7009 5.7009 5.8548 5.8548 6.3654 6.3654 7.2974 7.2974 7.5795 7.5795 7.7970 7.7970 9.3457 9.3457 9.5889 9.5889 k = 0.2867 0.4965-0.0000 ( 5361 PWs) bands (ev): -5.3270 -5.3270 -4.8342 -4.8342 -4.7809 -4.7809 -3.6454 -3.6454 -3.4323 -3.4323 -3.1413 -3.1413 -3.1112 -3.1112 -1.3683 -1.3683 -1.3428 -1.3428 0.9594 0.9594 1.0257 1.0257 1.5580 1.5580 2.1503 2.1503 2.2493 2.2493 2.7060 2.7060 3.1052 3.1052 3.3050 3.3050 4.0121 4.0121 4.2433 4.2433 4.3946 4.3946 4.8866 4.8866 5.6127 5.6127 5.7848 5.7848 6.3796 6.3796 7.3240 7.3240 7.6510 7.6510 7.8370 7.8370 9.2569 9.2569 9.5120 9.5120 k = 0.2800 0.4850-0.0000 ( 5369 PWs) bands (ev): -5.3806 -5.3806 -4.8682 -4.8682 -4.7909 -4.7909 -3.6771 -3.6771 -3.4318 -3.4318 -3.0966 -3.0966 -3.0838 -3.0838 -1.3454 -1.3454 -1.3188 -1.3188 0.9558 0.9558 1.0312 1.0312 1.6271 1.6271 2.1661 2.1661 2.2780 2.2780 2.7692 2.7692 3.0689 3.0689 3.2446 3.2446 4.0773 4.0773 4.3022 4.3022 4.4660 4.4660 4.9485 4.9485 5.5239 5.5239 5.7132 5.7132 6.3951 6.3951 7.3485 7.3485 7.7191 7.7191 7.8805 7.8805 9.1730 9.1730 9.4333 9.4333 k = 0.2733 0.4734-0.0000 ( 5371 PWs) bands (ev): -5.4391 -5.4391 -4.9065 -4.9065 -4.8022 -4.8022 -3.7106 -3.7106 -3.4340 -3.4340 -3.0568 -3.0568 -3.0438 -3.0438 -1.3197 -1.3197 -1.2919 -1.2919 0.9574 0.9574 1.0418 1.0418 1.6971 1.6971 2.1836 2.1836 2.3095 2.3095 2.8337 2.8337 3.0439 3.0439 3.1920 3.1920 4.1425 4.1425 4.3627 4.3627 4.5393 4.5393 5.0106 5.0106 5.4366 5.4366 5.6432 5.6432 6.4109 6.4109 7.3696 7.3696 7.7817 7.7817 7.9254 7.9254 9.0962 9.0962 9.3563 9.3563 k = 0.2667 0.4619-0.0000 ( 5359 PWs) bands (ev): -5.5014 -5.5014 -4.9486 -4.9486 -4.8152 -4.8152 -3.7457 -3.7457 -3.4390 -3.4390 -3.0260 -3.0260 -2.9880 -2.9880 -1.2912 -1.2912 -1.2622 -1.2622 0.9645 0.9645 1.0573 1.0573 1.7678 1.7678 2.2022 2.2022 2.3425 2.3425 2.8989 2.8989 3.0308 3.0308 3.1499 3.1499 4.2070 4.2070 4.4240 4.4240 4.6138 4.6138 5.0696 5.0696 5.3528 5.3528 5.5791 5.5791 6.4266 6.4266 7.3865 7.3865 7.8371 7.8371 7.9685 7.9685 9.0295 9.0295 9.2843 9.2843 k = 0.2600 0.4503-0.0000 ( 5353 PWs) bands (ev): -5.5667 -5.5667 -4.9941 -4.9941 -4.8302 -4.8302 -3.7821 -3.7821 -3.4471 -3.4471 -2.9944 -2.9944 -2.9271 -2.9271 -1.2603 -1.2603 -1.2297 -1.2297 0.9775 0.9775 1.0775 1.0775 1.8388 1.8388 2.2209 2.2209 2.3761 2.3761 2.9631 2.9631 3.0292 3.0292 3.1225 3.1225 4.2704 4.2704 4.4854 4.4854 4.6884 4.6884 5.1185 5.1185 5.2756 5.2756 5.5281 5.5281 6.4419 6.4419 7.3988 7.3988 7.8836 7.8836 8.0050 8.0050 8.9758 8.9758 9.2199 9.2199 k = 0.2533 0.4388-0.0000 ( 5357 PWs) bands (ev): -5.6344 -5.6344 -5.0425 -5.0425 -4.8475 -4.8475 -3.8195 -3.8195 -3.4582 -3.4582 -2.9621 -2.9621 -2.8620 -2.8620 -1.2269 -1.2269 -1.1946 -1.1946 0.9965 0.9965 1.1023 1.1023 1.9097 1.9097 2.2392 2.2392 2.4095 2.4095 3.0169 3.0169 3.0420 3.0420 3.1182 3.1182 4.3321 4.3321 4.5454 4.5454 4.7604 4.7604 5.1422 5.1422 5.2126 5.2126 5.5027 5.5027 6.4566 6.4566 7.4064 7.4064 7.9195 7.9195 8.0298 8.0298 8.9382 8.9382 9.1664 9.1664 k = 0.2467 0.4272-0.0000 ( 5355 PWs) bands (ev): -5.7035 -5.7035 -5.0933 -5.0933 -4.8672 -4.8672 -3.8577 -3.8577 -3.4723 -3.4723 -2.9295 -2.9295 -2.7933 -2.7933 -1.1913 -1.1913 -1.1568 -1.1568 1.0215 1.0215 1.1316 1.1316 1.9799 1.9799 2.2571 2.2571 2.4427 2.4427 3.0326 3.0326 3.0875 3.0875 3.1468 3.1468 4.3917 4.3917 4.6024 4.6024 4.8236 4.8236 5.1238 5.1238 5.1775 5.1775 5.5149 5.5149 6.4706 6.4706 7.4095 7.4095 7.9427 7.9427 8.0390 8.0390 8.9177 8.9177 9.1270 9.1270 k = 0.2400 0.4157-0.0000 ( 5347 PWs) bands (ev): -5.7738 -5.7738 -5.1461 -5.1461 -4.8892 -4.8892 -3.8964 -3.8964 -3.4893 -3.4893 -2.8969 -2.8969 -2.7216 -2.7216 -1.1537 -1.1537 -1.1164 -1.1164 1.0524 1.0524 1.1651 1.1651 2.0485 2.0485 2.2755 2.2755 2.4758 2.4758 3.0445 3.0445 3.1370 3.1370 3.2022 3.2022 4.4484 4.4484 4.6534 4.6534 4.8632 4.8632 5.1016 5.1016 5.1538 5.1538 5.5616 5.5616 6.4837 6.4837 7.4084 7.4084 7.9509 7.9509 8.0311 8.0311 8.9119 8.9119 9.1052 9.1052 k = 0.2333 0.4041-0.0000 ( 5351 PWs) bands (ev): -5.8445 -5.8445 -5.2005 -5.2005 -4.9137 -4.9137 -3.9356 -3.9356 -3.5091 -3.5091 -2.8649 -2.8649 -2.6474 -2.6474 -1.1142 -1.1142 -1.0735 -1.0735 1.0889 1.0889 1.2027 1.2027 2.1141 2.1141 2.2963 2.2963 2.5093 2.5093 3.0661 3.0661 3.1916 3.1916 3.2686 3.2686 4.5008 4.5008 4.6938 4.6938 4.8648 4.8648 5.0926 5.0926 5.1578 5.1578 5.6297 5.6297 6.4959 6.4959 7.4032 7.4032 7.9429 7.9429 8.0077 8.0077 8.9140 8.9140 9.1039 9.1039 k = 0.2267 0.3926-0.0000 ( 5353 PWs) bands (ev): -5.9154 -5.9154 -5.2560 -5.2560 -4.9405 -4.9405 -3.9749 -3.9749 -3.5314 -3.5314 -2.8340 -2.8340 -2.5711 -2.5711 -1.0732 -1.0732 -1.0280 -1.0280 1.1308 1.1308 1.2443 1.2443 2.1750 2.1750 2.3219 2.3219 2.5444 2.5444 3.1001 3.1001 3.2528 3.2528 3.3393 3.3393 4.5462 4.5462 4.7186 4.7186 4.8410 4.8410 5.0792 5.0792 5.2119 5.2119 5.7099 5.7099 6.5074 6.5074 7.3944 7.3944 7.9193 7.9193 7.9719 7.9719 8.9150 8.9150 9.1239 9.1239 k = 0.2200 0.3811-0.0000 ( 5353 PWs) bands (ev): -5.9861 -5.9861 -5.3124 -5.3124 -4.9694 -4.9694 -4.0143 -4.0143 -3.5562 -3.5562 -2.8045 -2.8045 -2.4933 -2.4933 -1.0308 -1.0308 -0.9799 -0.9799 1.1776 1.1776 1.2898 1.2898 2.2293 2.2293 2.3548 2.3548 2.5826 2.5826 3.1464 3.1464 3.3190 3.3190 3.4127 3.4127 4.5783 4.5783 4.7294 4.7294 4.8100 4.8100 5.0812 5.0812 5.2877 5.2877 5.7971 5.7971 6.5181 6.5181 7.3821 7.3821 7.8829 7.8829 7.9266 7.9266 8.9083 8.9083 9.1616 9.1616 k = 0.2133 0.3695-0.0000 ( 5339 PWs) bands (ev): -6.0563 -6.0563 -5.3692 -5.3692 -5.0002 -5.0002 -4.0536 -4.0536 -3.5831 -3.5831 -2.7769 -2.7769 -2.4144 -2.4144 -0.9872 -0.9872 -0.9293 -0.9293 1.2287 1.2287 1.3392 1.3392 2.2773 2.2773 2.3958 2.3958 2.6257 2.6257 3.2039 3.2039 3.3879 3.3879 3.4888 3.4888 4.5886 4.5886 4.7342 4.7342 4.7836 4.7836 5.1036 5.1036 5.3718 5.3718 5.8890 5.8890 6.5281 6.5281 7.3668 7.3668 7.8381 7.8381 7.8738 7.8738 8.8918 8.8918 9.2105 9.2105 k = 0.2067 0.3580-0.0000 ( 5321 PWs) bands (ev): -6.1257 -6.1257 -5.4263 -5.4263 -5.0328 -5.0328 -4.0928 -4.0928 -3.6119 -3.6119 -2.7515 -2.7515 -2.3350 -2.3350 -0.9426 -0.9426 -0.8761 -0.8761 1.2837 1.2837 1.3928 1.3928 2.3221 2.3221 2.4429 2.4429 2.6749 2.6749 3.2707 3.2707 3.4571 3.4571 3.5676 3.5676 4.5786 4.5786 4.7134 4.7134 4.7923 4.7923 5.1403 5.1403 5.4594 5.4594 5.9836 5.9836 6.5376 6.5376 7.3485 7.3485 7.7887 7.7887 7.8154 7.8154 8.8662 8.8662 9.2638 9.2638 k = 0.2000 0.3464-0.0000 ( 5317 PWs) bands (ev): -6.1941 -6.1941 -5.4832 -5.4832 -5.0669 -5.0669 -4.1317 -4.1317 -3.6423 -3.6423 -2.7285 -2.7285 -2.2558 -2.2558 -0.8970 -0.8970 -0.8206 -0.8206 1.3419 1.3419 1.4507 1.4507 2.3678 2.3678 2.4932 2.4932 2.7306 2.7306 3.3449 3.3449 3.5250 3.5250 3.6490 3.6490 4.5605 4.5605 4.6762 4.6762 4.8256 4.8256 5.1846 5.1846 5.5483 5.5483 6.0797 6.0797 6.5468 6.5468 7.3275 7.3275 7.7375 7.7375 7.7543 7.7543 8.8338 8.8338 9.3155 9.3155 k = 0.1933 0.3349-0.0000 ( 5317 PWs) bands (ev): -6.2613 -6.2613 -5.5398 -5.5398 -5.1023 -5.1023 -4.1703 -4.1703 -3.6740 -3.6740 -2.7081 -2.7081 -2.1773 -2.1773 -0.8506 -0.8506 -0.7628 -0.7628 1.4029 1.4029 1.5132 1.5132 2.4175 2.4175 2.5458 2.5458 2.7921 2.7921 3.4240 3.4240 3.5908 3.5908 3.7319 3.7319 4.5437 4.5437 4.6397 4.6397 4.8644 4.8644 5.2322 5.2322 5.6367 5.6367 6.1758 6.1758 6.5559 6.5559 7.3040 7.3040 7.6814 7.6814 7.6983 7.6983 8.7969 8.7969 9.3592 9.3592 k = 0.1867 0.3233-0.0000 ( 5335 PWs) bands (ev): -6.3272 -6.3272 -5.5958 -5.5958 -5.1386 -5.1386 -4.2085 -4.2085 -3.7069 -3.7069 -2.6905 -2.6905 -2.1001 -2.1001 -0.8031 -0.8031 -0.7029 -0.7029 1.4664 1.4664 1.5803 1.5803 2.4729 2.4729 2.6006 2.6006 2.8584 2.8584 3.5047 3.5047 3.6553 3.6553 3.8143 3.8143 4.5326 4.5326 4.6103 4.6103 4.9041 4.9041 5.2808 5.2808 5.7234 5.7234 6.2699 6.2699 6.5654 6.5654 7.2778 7.2778 7.6195 7.6195 7.6530 7.6530 8.7570 8.7570 9.3889 9.3889 k = 0.1800 0.3118-0.0000 ( 5331 PWs) bands (ev): -6.3915 -6.3915 -5.6511 -5.6511 -5.1756 -5.1756 -4.2462 -4.2462 -3.7406 -3.7406 -2.6756 -2.6756 -2.0251 -2.0251 -0.7546 -0.7546 -0.6412 -0.6412 1.5324 1.5324 1.6521 1.6521 2.5348 2.5348 2.6584 2.6584 2.9282 2.9282 3.5817 3.5817 3.7211 3.7211 3.8940 3.8940 4.5271 4.5271 4.5951 4.5951 4.9430 4.9430 5.3292 5.3292 5.8067 5.8067 6.3593 6.3593 6.5761 6.5761 7.2488 7.2488 7.5590 7.5590 7.6162 7.6162 8.7156 8.7156 9.3999 9.3999 k = 0.1733 0.3002-0.0000 ( 5327 PWs) bands (ev): -6.4542 -6.4542 -5.7054 -5.7054 -5.2131 -5.2131 -4.2833 -4.2833 -3.7749 -3.7749 -2.6636 -2.6636 -1.9528 -1.9528 -0.7046 -0.7046 -0.5779 -0.5779 1.6012 1.6012 1.7281 1.7281 2.6032 2.6032 2.7199 2.7199 3.0005 3.0005 3.6484 3.6484 3.7924 3.7924 3.9687 3.9687 4.5228 4.5228 4.6040 4.6040 4.9803 4.9803 5.3766 5.3766 5.8852 5.8852 6.4397 6.4397 6.5896 6.5896 7.2168 7.2168 7.5044 7.5044 7.5888 7.5888 8.6734 8.6734 9.3925 9.3925 k = 0.1667 0.2887-0.0000 ( 5323 PWs) bands (ev): -6.5152 -6.5152 -5.7587 -5.7587 -5.2508 -5.2508 -4.3198 -4.3198 -3.8095 -3.8095 -2.6543 -2.6543 -1.8841 -1.8841 -0.6529 -0.6529 -0.5134 -0.5134 1.6733 1.6733 1.8081 1.8081 2.6777 2.6777 2.7857 2.7857 3.0746 3.0746 3.7004 3.7004 3.8700 3.8700 4.0379 4.0379 4.5211 4.5211 4.6402 4.6402 5.0157 5.0157 5.4225 5.4225 5.9571 5.9571 6.5031 6.5031 6.6098 6.6098 7.1818 7.1818 7.4594 7.4594 7.5729 7.5729 8.6310 8.6310 9.3708 9.3708 k = 0.1600 0.2771-0.0000 ( 5315 PWs) bands (ev): -6.5743 -6.5743 -5.8106 -5.8106 -5.2884 -5.2884 -4.3556 -4.3556 -3.8443 -3.8443 -2.6476 -2.6476 -1.8197 -1.8197 -0.5991 -0.5991 -0.4482 -0.4482 1.7490 1.7490 1.8915 1.8915 2.7575 2.7575 2.8564 2.8564 3.1500 3.1500 3.7386 3.7386 3.9480 3.9480 4.1047 4.1047 4.5276 4.5276 4.6996 4.6996 5.0493 5.0493 5.4667 5.4667 6.0206 6.0206 6.5419 6.5419 6.6393 6.6393 7.1452 7.1452 7.4276 7.4276 7.5710 7.5710 8.5889 8.5889 9.3385 9.3385 k = 0.1533 0.2656-0.0000 ( 5321 PWs) bands (ev): -6.6315 -6.6315 -5.8612 -5.8612 -5.3259 -5.3259 -4.3906 -4.3906 -3.8790 -3.8790 -2.6433 -2.6433 -1.7602 -1.7602 -0.5429 -0.5429 -0.3826 -0.3826 1.8289 1.8289 1.9779 1.9779 2.8410 2.8410 2.9325 2.9325 3.2263 3.2263 3.7664 3.7664 4.0172 4.0172 4.1752 4.1752 4.5464 4.5464 4.7778 4.7778 5.0811 5.0811 5.5091 5.5091 6.0741 6.0741 6.5606 6.5606 6.6673 6.6673 7.1096 7.1096 7.4117 7.4117 7.5853 7.5853 8.5475 8.5475 9.2968 9.2968 k = 0.1467 0.2540-0.0000 ( 5321 PWs) bands (ev): -6.6867 -6.6867 -5.9103 -5.9103 -5.3629 -5.3629 -4.4248 -4.4248 -3.9133 -3.9133 -2.6413 -2.6413 -1.7061 -1.7061 -0.4839 -0.4839 -0.3171 -0.3171 1.9132 1.9132 2.0668 2.0668 2.9263 2.9263 3.0151 3.0151 3.3034 3.3034 3.7869 3.7869 4.0730 4.0730 4.2522 4.2522 4.5802 4.5802 4.8700 4.8700 5.1118 5.1118 5.5497 5.5497 6.1166 6.1166 6.5684 6.5684 6.6799 6.6799 7.0780 7.0780 7.4129 7.4129 7.6166 7.6166 8.5069 8.5069 9.2436 9.2436 k = 0.1400 0.2425-0.0000 ( 5317 PWs) bands (ev): -6.7398 -6.7398 -5.9578 -5.9578 -5.3993 -5.3993 -4.4580 -4.4580 -3.9473 -3.9473 -2.6414 -2.6414 -1.6578 -1.6578 -0.4221 -0.4221 -0.2521 -0.2521 2.0021 2.0021 2.1579 2.1579 3.0113 3.0113 3.1047 3.1047 3.3814 3.3814 3.8030 3.8030 4.1189 4.1189 4.3305 4.3305 4.6315 4.6315 4.9706 4.9706 5.1431 5.1431 5.5885 5.5885 6.1474 6.1474 6.5669 6.5669 6.6747 6.6747 7.0519 7.0519 7.4309 7.4309 7.6641 7.6641 8.4674 8.4674 9.1740 9.1740 k = 0.1333 0.2309-0.0000 ( 5317 PWs) bands (ev): -6.7908 -6.7908 -6.0035 -6.0035 -5.4349 -5.4349 -4.4902 -4.4902 -3.9806 -3.9806 -2.6432 -2.6432 -1.6155 -1.6155 -0.3573 -0.3573 -0.1883 -0.1883 2.0956 2.0956 2.2510 2.2510 3.0942 3.0942 3.2010 3.2010 3.4603 3.4603 3.8176 3.8176 4.1608 4.1608 4.4029 4.4029 4.7019 4.7019 5.0699 5.0699 5.1815 5.1815 5.6257 5.6257 6.1669 6.1669 6.5515 6.5515 6.6612 6.6612 7.0297 7.0297 7.4632 7.4632 7.7246 7.7246 8.4292 8.4292 9.0832 9.0832 k = 0.1267 0.2194-0.0000 ( 5309 PWs) bands (ev): -6.8395 -6.8395 -6.0475 -6.0475 -5.4696 -5.4696 -4.5214 -4.5214 -4.0131 -4.0131 -2.6467 -2.6467 -1.5790 -1.5790 -0.2897 -0.2897 -0.1260 -0.1260 2.1935 2.1935 2.3458 2.3458 3.1742 3.1742 3.3025 3.3025 3.5404 3.5404 3.8334 3.8334 4.2032 4.2032 4.4662 4.4662 4.7894 4.7894 5.1426 5.1426 5.2501 5.2501 5.6617 5.6617 6.1759 6.1759 6.5166 6.5166 6.6526 6.6526 7.0094 7.0094 7.5057 7.5057 7.7928 7.7928 8.3922 8.3922 8.9712 8.9712 k = 0.1200 0.2078-0.0000 ( 5319 PWs) bands (ev): -6.8860 -6.8860 -6.0896 -6.0896 -5.5032 -5.5032 -4.5514 -4.5514 -4.0446 -4.0446 -2.6514 -2.6514 -1.5482 -1.5482 -0.2198 -0.2198 -0.0656 -0.0656 2.2956 2.2956 2.4422 2.4422 3.2510 3.2510 3.4066 3.4066 3.6225 3.6225 3.8533 3.8533 4.2487 4.2487 4.5216 4.5216 4.8889 4.8889 5.1810 5.1810 5.3542 5.3542 5.6971 5.6971 6.1761 6.1761 6.4657 6.4657 6.6522 6.6522 6.9898 6.9898 7.5531 7.5531 7.8616 7.8616 8.3563 8.3563 8.8470 8.8470 k = 0.1133 0.1963-0.0000 ( 5315 PWs) bands (ev): -6.9301 -6.9301 -6.1297 -6.1297 -5.5356 -5.5356 -4.5802 -4.5802 -4.0751 -4.0751 -2.6573 -2.6573 -1.5228 -1.5228 -0.1481 -0.1481 -0.0076 -0.0076 2.4014 2.4014 2.5400 2.5400 3.3237 3.3237 3.5098 3.5098 3.7073 3.7073 3.8804 3.8804 4.2988 4.2988 4.5718 4.5718 4.9939 4.9939 5.2076 5.2076 5.4691 5.4691 5.7329 5.7329 6.1695 6.1695 6.4068 6.4068 6.6579 6.6579 6.9705 6.9705 7.5995 7.5995 7.9214 7.9214 8.3211 8.3211 8.7223 8.7223 k = 0.1067 0.1848-0.0000 ( 5309 PWs) bands (ev): -6.9720 -6.9720 -6.1678 -6.1678 -5.5666 -5.5666 -4.6077 -4.6077 -4.1044 -4.1044 -2.6640 -2.6640 -1.5022 -1.5022 -0.0752 -0.0752 0.0476 0.0476 2.5102 2.5102 2.6392 2.6392 3.3917 3.3917 3.6082 3.6082 3.7964 3.7964 3.9175 3.9175 4.3543 4.3543 4.6193 4.6193 5.0978 5.0978 5.2316 5.2316 5.5827 5.5827 5.7713 5.7713 6.1586 6.1586 6.3469 6.3469 6.6680 6.6680 6.9517 6.9517 7.6374 7.6374 7.9586 7.9586 8.2856 8.2856 8.6095 8.6095 k = 0.1000 0.1732-0.0000 ( 5331 PWs) bands (ev): -7.0114 -7.0114 -6.2039 -6.2039 -5.5963 -5.5963 -4.6339 -4.6339 -4.1325 -4.1325 -2.6714 -2.6714 -1.4859 -1.4859 -0.0021 -0.0021 0.0999 0.0999 2.6212 2.6212 2.7400 2.7400 3.4547 3.4547 3.6981 3.6981 3.8897 3.8897 3.9676 3.9676 4.4152 4.4152 4.6658 4.6658 5.1915 5.1915 5.2585 5.2585 5.6868 5.6868 5.8145 5.8145 6.1471 6.1471 6.2923 6.2923 6.6823 6.6823 6.9340 6.9340 7.6583 7.6583 7.9557 7.9557 8.2487 8.2487 8.5233 8.5233 k = 0.0933 0.1617-0.0000 ( 5335 PWs) bands (ev): -7.0485 -7.0485 -6.2379 -6.2379 -5.6244 -5.6244 -4.6586 -4.6586 -4.1591 -4.1591 -2.6793 -2.6793 -1.4734 -1.4734 0.0704 0.0704 0.1491 0.1491 2.7331 2.7331 2.8425 2.8425 3.5132 3.5132 3.7784 3.7784 3.9806 3.9806 4.0369 4.0369 4.4808 4.4808 4.7132 4.7132 5.2534 5.2534 5.3039 5.3039 5.7743 5.7743 5.8605 5.8605 6.1412 6.1412 6.2519 6.2519 6.7017 6.7017 6.9177 6.9177 7.6533 7.6533 7.9008 7.9008 8.2120 8.2120 8.4729 8.4729 k = 0.0867 0.1501-0.0000 ( 5335 PWs) bands (ev): -7.0831 -7.0831 -6.2696 -6.2696 -5.6509 -5.6509 -4.6819 -4.6819 -4.1842 -4.1842 -2.6874 -2.6874 -1.4641 -1.4641 0.1407 0.1407 0.1958 0.1958 2.8442 2.8442 2.9469 2.9469 3.5688 3.5688 3.8506 3.8506 4.0593 4.0593 4.1305 4.1305 4.5496 4.5496 4.7631 4.7631 5.2854 5.2854 5.3600 5.3600 5.8428 5.8428 5.8969 5.8969 6.1426 6.1426 6.2441 6.2441 6.7272 6.7272 6.9037 6.9037 7.6166 7.6166 7.8014 7.8014 8.1800 8.1800 8.4514 8.4514 k = 0.0800 0.1386-0.0000 ( 5327 PWs) bands (ev): -7.1152 -7.1152 -6.2992 -6.2992 -5.6756 -5.6756 -4.7037 -4.7037 -4.2078 -4.2078 -2.6956 -2.6956 -1.4574 -1.4574 0.2057 0.2057 0.2422 0.2422 2.9525 2.9525 3.0537 3.0537 3.6241 3.6241 3.9172 3.9172 4.1322 4.1322 4.2348 4.2348 4.6193 4.6193 4.8174 4.8174 5.3141 5.3141 5.3970 5.3970 5.8657 5.8657 5.9467 5.9467 6.1383 6.1383 6.2880 6.2880 6.7609 6.7609 6.8928 6.8928 7.5483 7.5483 7.6770 7.6770 8.1539 8.1539 8.4432 8.4432 k = 0.0733 0.1270-0.0000 ( 5319 PWs) bands (ev): -7.1448 -7.1448 -6.3266 -6.3266 -5.6987 -5.6987 -4.7240 -4.7240 -4.2297 -4.2297 -2.7037 -2.7037 -1.4528 -1.4528 0.2579 0.2579 0.2949 0.2949 3.0557 3.0557 3.1628 3.1628 3.6819 3.6819 3.9797 3.9797 4.2046 4.2046 4.3377 4.3377 4.6876 4.6876 4.8772 4.8772 5.3464 5.3464 5.4105 5.4105 5.8464 5.8464 6.0177 6.0177 6.1351 6.1351 6.3615 6.3615 6.8038 6.8038 6.8865 6.8865 7.4519 7.4519 7.5465 7.5465 8.1319 8.1319 8.4320 8.4320 k = 0.0667 0.1155-0.0000 ( 5319 PWs) bands (ev): -7.1720 -7.1720 -6.3516 -6.3516 -5.7199 -5.7199 -4.7426 -4.7426 -4.2499 -4.2499 -2.7116 -2.7116 -1.4500 -1.4500 0.2965 0.2965 0.3540 0.3540 3.1520 3.1520 3.2734 3.2734 3.7451 3.7451 4.0388 4.0388 4.2761 4.2761 4.4326 4.4326 4.7527 4.7527 4.9406 4.9406 5.3833 5.3833 5.4085 5.4085 5.8176 5.8176 6.0711 6.0711 6.1566 6.1566 6.4386 6.4386 6.8504 6.8504 6.8905 6.8905 7.3318 7.3318 7.4264 7.4264 8.1116 8.1116 8.4025 8.4025 k = 0.0600 0.1039-0.0000 ( 5333 PWs) bands (ev): -7.1966 -7.1966 -6.3744 -6.3744 -5.7393 -5.7393 -4.7595 -4.7595 -4.2683 -4.2683 -2.7192 -2.7192 -1.4485 -1.4485 0.3281 0.3281 0.4121 0.4121 3.2400 3.2400 3.3844 3.3844 3.8158 3.8158 4.0951 4.0951 4.3451 4.3451 4.5156 4.5156 4.8129 4.8129 5.0009 5.0009 5.3905 5.3905 5.4398 5.4398 5.7899 5.7899 6.0871 6.0871 6.2145 6.2145 6.5073 6.5073 6.8712 6.8712 6.9239 6.9239 7.2020 7.2020 7.3285 7.3285 8.0889 8.0889 8.3459 8.3459 k = 0.0533 0.0924-0.0000 ( 5337 PWs) bands (ev): -7.2186 -7.2186 -6.3948 -6.3948 -5.7567 -5.7567 -4.7748 -4.7748 -4.2850 -4.2850 -2.7262 -2.7262 -1.4481 -1.4481 0.3550 0.3550 0.4665 0.4665 3.3186 3.3186 3.4944 3.4944 3.8947 3.8947 4.1488 4.1488 4.4088 4.4088 4.5862 4.5862 4.8647 4.8647 5.0448 5.0448 5.3929 5.3929 5.4993 5.4993 5.7685 5.7685 6.0914 6.0914 6.2757 6.2757 6.5625 6.5625 6.8643 6.8643 6.9457 6.9457 7.0914 7.0914 7.2761 7.2761 8.0557 8.0557 8.2684 8.2684 k = 0.0467 0.0808-0.0000 ( 5337 PWs) bands (ev): -7.2381 -7.2381 -6.4129 -6.4129 -5.7722 -5.7722 -4.7884 -4.7884 -4.2998 -4.2998 -2.7327 -2.7327 -1.4483 -1.4483 0.3781 0.3781 0.5160 0.5160 3.3875 3.3875 3.6024 3.6024 3.9807 3.9807 4.2005 4.2005 4.4640 4.4640 4.6461 4.6461 4.9038 4.9038 5.0580 5.0580 5.4264 5.4264 5.5672 5.5672 5.7589 5.7589 6.0948 6.0948 6.3233 6.3233 6.6020 6.6020 6.8047 6.8047 6.9116 6.9116 7.0466 7.0466 7.2966 7.2966 7.9957 7.9957 8.1865 8.1865 k = 0.0400 0.0693-0.0000 ( 5341 PWs) bands (ev): -7.2550 -7.2550 -6.4286 -6.4286 -5.7856 -5.7856 -4.8002 -4.8002 -4.3127 -4.3127 -2.7385 -2.7385 -1.4490 -1.4490 0.3976 0.3976 0.5599 0.5599 3.4468 3.4468 3.7077 3.7077 4.0705 4.0705 4.2506 4.2506 4.5076 4.5076 4.6959 4.6959 4.9279 4.9279 5.0448 5.0448 5.4908 5.4908 5.6315 5.6315 5.7727 5.7727 6.0990 6.0990 6.3491 6.3491 6.6217 6.6217 6.7080 6.7080 6.8380 6.8380 7.0704 7.0704 7.3597 7.3597 7.9015 7.9015 8.0999 8.0999 k = 0.0333 0.0577-0.0000 ( 5335 PWs) bands (ev): -7.2694 -7.2694 -6.4419 -6.4419 -5.7971 -5.7971 -4.8102 -4.8102 -4.3236 -4.3236 -2.7435 -2.7435 -1.4499 -1.4499 0.4137 0.4137 0.5977 0.5977 3.4968 3.4968 3.8097 3.8097 4.1588 4.1588 4.2992 4.2992 4.5384 4.5384 4.7299 4.7299 4.9389 4.9389 5.0267 5.0267 5.5637 5.5637 5.6810 5.6810 5.8239 5.8239 6.1038 6.1038 6.3415 6.3415 6.5857 6.5857 6.6566 6.6566 6.7679 6.7679 7.1181 7.1181 7.4184 7.4184 7.7893 7.7893 8.0169 8.0169 k = 0.0267 0.0462-0.0000 ( 5333 PWs) bands (ev): -7.2811 -7.2811 -6.4528 -6.4528 -5.8065 -5.8065 -4.8185 -4.8185 -4.3326 -4.3326 -2.7477 -2.7477 -1.4508 -1.4508 0.4266 0.4266 0.6291 0.6291 3.5378 3.5378 3.9071 3.9071 4.2392 4.2392 4.3452 4.3452 4.5580 4.5580 4.7376 4.7376 4.9406 4.9406 5.0260 5.0260 5.6134 5.6134 5.7375 5.7375 5.9003 5.9003 6.1078 6.1078 6.2946 6.2946 6.5132 6.5132 6.6402 6.6402 6.7408 6.7408 7.1635 7.1635 7.4388 7.4388 7.6755 7.6755 7.9760 7.9760 k = 0.0200 0.0346-0.0000 ( 5337 PWs) bands (ev): -7.2902 -7.2902 -6.4613 -6.4613 -5.8138 -5.8138 -4.8249 -4.8249 -4.3396 -4.3396 -2.7510 -2.7510 -1.4517 -1.4517 0.4366 0.4366 0.6537 0.6537 3.5699 3.5699 3.9984 3.9984 4.3051 4.3051 4.3836 4.3836 4.5709 4.5709 4.7206 4.7206 4.9302 4.9302 5.0548 5.0548 5.6318 5.6318 5.8096 5.8096 5.9793 5.9793 6.1041 6.1041 6.2390 6.2390 6.4355 6.4355 6.6302 6.6302 6.7544 6.7544 7.1871 7.1871 7.4162 7.4162 7.5699 7.5699 7.9931 7.9931 k = 0.0133 0.0231-0.0000 ( 5335 PWs) bands (ev): -7.2968 -7.2968 -6.4674 -6.4674 -5.8191 -5.8191 -4.8295 -4.8295 -4.3447 -4.3447 -2.7534 -2.7534 -1.4524 -1.4524 0.4435 0.4435 0.6715 0.6715 3.5931 3.5931 4.0799 4.0799 4.3528 4.3528 4.4024 4.4024 4.5850 4.5850 4.6959 4.6959 4.9114 4.9114 5.0997 5.0997 5.6327 5.6327 5.8771 5.8771 6.0342 6.0342 6.0928 6.0928 6.2191 6.2191 6.3549 6.3549 6.6306 6.6306 6.7859 6.7859 7.1766 7.1766 7.3751 7.3751 7.4917 7.4917 8.0409 8.0409 k = 0.0067 0.0115-0.0000 ( 5339 PWs) bands (ev): -7.3007 -7.3007 -6.4710 -6.4710 -5.8222 -5.8222 -4.8323 -4.8323 -4.3477 -4.3477 -2.7549 -2.7549 -1.4529 -1.4529 0.4477 0.4477 0.6821 0.6821 3.6071 3.6071 4.1431 4.1431 4.3794 4.3794 4.3995 4.3995 4.6027 4.6027 4.6770 4.6770 4.8935 4.8935 5.1397 5.1397 5.6249 5.6249 5.9302 5.9302 6.0148 6.0148 6.1337 6.1337 6.2291 6.2291 6.2805 6.2805 6.6339 6.6339 6.8194 6.8194 7.1483 7.1483 7.3258 7.3258 7.4608 7.4608 8.0844 8.0844 k = 0.0000 0.0000 0.0000 ( 5343 PWs) bands (ev): -7.3020 -7.3020 -6.4723 -6.4723 -5.8233 -5.8233 -4.8332 -4.8332 -4.3487 -4.3487 -2.7553 -2.7553 -1.4530 -1.4530 0.4491 0.4491 0.6857 0.6857 3.6118 3.6118 4.1694 4.1694 4.3812 4.3812 4.3992 4.3992 4.6117 4.6117 4.6699 4.6699 4.8859 4.8859 5.1559 5.1559 5.6198 5.6198 5.9621 5.9621 5.9874 5.9874 6.1724 6.1724 6.2333 6.2333 6.2381 6.2381 6.6354 6.6354 6.8347 6.8347 7.1342 7.1342 7.3017 7.3017 7.4557 7.4557 8.1014 8.1014 k = 0.0000 0.0000 0.0000 ( 5343 PWs) bands (ev): -7.3020 -7.3020 -6.4723 -6.4723 -5.8233 -5.8233 -4.8332 -4.8332 -4.3487 -4.3487 -2.7553 -2.7553 -1.4530 -1.4530 0.4491 0.4491 0.6857 0.6857 3.6118 3.6118 4.1694 4.1694 4.3812 4.3812 4.3992 4.3992 4.6117 4.6117 4.6699 4.6699 4.8859 4.8859 5.1559 5.1559 5.6198 5.6198 5.9621 5.9621 5.9874 5.9874 6.1724 6.1724 6.2333 6.2333 6.2381 6.2381 6.6354 6.6354 6.8347 6.8347 7.1342 7.1342 7.3017 7.3017 7.4557 7.4557 8.1014 8.1014 k = 0.0000 0.0000 0.0124 ( 5343 PWs) bands (ev): -7.3020 -7.3020 -6.4726 -6.4726 -5.8222 -5.8222 -4.8382 -4.8382 -4.3427 -4.3427 -2.7606 -2.7606 -1.4458 -1.4458 0.4182 0.4182 0.7142 0.7142 3.6101 3.6101 4.1691 4.1691 4.3812 4.3812 4.3901 4.3901 4.6041 4.6041 4.6903 4.6903 4.8859 4.8859 5.1559 5.1559 5.6180 5.6180 5.9414 5.9414 6.0004 6.0004 6.1762 6.1762 6.2344 6.2344 6.2441 6.2441 6.6283 6.6283 6.8424 6.8424 7.1151 7.1151 7.3210 7.3210 7.4541 7.4541 8.0966 8.0966 k = 0.0000 0.0000 0.0248 ( 5331 PWs) bands (ev): -7.3019 -7.3019 -6.4734 -6.4734 -5.8188 -5.8188 -4.8521 -4.8521 -4.3256 -4.3256 -2.7758 -2.7758 -1.4250 -1.4250 0.3502 0.3502 0.7750 0.7750 3.6051 3.6051 4.1681 4.1681 4.3666 4.3666 4.3812 4.3812 4.5944 4.5944 4.7342 4.7342 4.8859 4.8859 5.1560 5.1560 5.6121 5.6121 5.9103 5.9103 6.0087 6.0087 6.1905 6.1905 6.2375 6.2375 6.2596 6.2596 6.6096 6.6096 6.8625 6.8625 7.0725 7.0725 7.3629 7.3629 7.4508 7.4508 8.0828 8.0828 k = 0.0000 0.0000 0.0371 ( 5332 PWs) bands (ev): -7.3018 -7.3018 -6.4747 -6.4747 -5.8136 -5.8136 -4.8725 -4.8725 -4.3002 -4.3002 -2.7991 -2.7991 -1.3924 -1.3924 0.2699 0.2699 0.8433 0.8433 3.5972 3.5972 4.1663 4.1663 4.3366 4.3366 4.3812 4.3812 4.5884 4.5884 4.7880 4.7880 4.8858 4.8858 5.1560 5.1560 5.6011 5.6011 5.8805 5.8805 6.0042 6.0042 6.2171 6.2171 6.2427 6.2427 6.2799 6.2799 6.5847 6.5847 6.8896 6.8896 7.0221 7.0221 7.4029 7.4029 7.4551 7.4551 8.0617 8.0617 k = 0.0000 0.0000 0.0495 ( 5332 PWs) bands (ev): -7.3017 -7.3017 -6.4764 -6.4764 -5.8070 -5.8070 -4.8964 -4.8964 -4.2698 -4.2698 -2.8281 -2.8281 -1.3507 -1.3507 0.1870 0.1870 0.9101 0.9101 3.5868 3.5868 4.1636 4.1636 4.3065 4.3065 4.3812 4.3812 4.5850 4.5850 4.8463 4.8463 4.8858 4.8858 5.1561 5.1561 5.5838 5.5838 5.8559 5.8559 5.9910 5.9910 6.2497 6.2497 6.2522 6.2522 6.3020 6.3020 6.5571 6.5571 6.9197 6.9197 6.9698 6.9698 7.4104 7.4104 7.4927 7.4927 8.0358 8.0358 k = 0.0000 0.0000 0.0619 ( 5326 PWs) bands (ev): -7.3016 -7.3016 -6.4782 -6.4782 -5.7994 -5.7994 -4.9210 -4.9210 -4.2375 -4.2375 -2.8598 -2.8598 -1.3035 -1.3035 0.1060 0.1060 0.9711 0.9711 3.5749 3.5749 4.1598 4.1598 4.2800 4.2800 4.3812 4.3812 4.5831 4.5831 4.8857 4.8857 4.9062 4.9062 5.1562 5.1562 5.5593 5.5593 5.8385 5.8385 5.9735 5.9735 6.2584 6.2584 6.2910 6.2910 6.3243 6.3243 6.5294 6.5294 6.9179 6.9179 6.9498 6.9498 7.4010 7.4010 7.5470 7.5470 8.0077 8.0077 k = 0.0000 0.0000 0.0743 ( 5332 PWs) bands (ev): -7.3015 -7.3015 -6.4800 -6.4800 -5.7917 -5.7917 -4.9443 -4.9443 -4.2062 -4.2062 -2.8912 -2.8912 -1.2545 -1.2545 0.0307 0.0307 1.0242 1.0242 3.5625 3.5625 4.1549 4.1549 4.2589 4.2589 4.3812 4.3812 4.5819 4.5819 4.8857 4.8857 4.9651 4.9651 5.1562 5.1562 5.5286 5.5286 5.8284 5.8284 5.9549 5.9549 6.2684 6.2684 6.3281 6.3281 6.3476 6.3476 6.5029 6.5029 6.8682 6.8682 6.9779 6.9779 7.3888 7.3888 7.6032 7.6032 7.9800 7.9800 k = 0.0000 0.0000 0.0867 ( 5320 PWs) bands (ev): -7.3014 -7.3014 -6.4816 -6.4816 -5.7847 -5.7847 -4.9643 -4.9643 -4.1785 -4.1785 -2.9194 -2.9194 -1.2083 -1.2083 -0.0352 -0.0352 1.0675 1.0675 3.5510 3.5510 4.1495 4.1495 4.2438 4.2438 4.3812 4.3812 4.5812 4.5812 4.8857 4.8857 5.0204 5.0204 5.1563 5.1563 5.4942 5.4942 5.8246 5.8246 5.9371 5.9371 6.2789 6.2789 6.3532 6.3532 6.3785 6.3785 6.4791 6.4791 6.8223 6.8223 7.0022 7.0022 7.3771 7.3771 7.6574 7.6574 7.9552 7.9552 k = 0.0000 0.0000 0.0991 ( 5308 PWs) bands (ev): -7.3013 -7.3013 -6.4829 -6.4829 -5.7789 -5.7789 -4.9797 -4.9797 -4.1568 -4.1568 -2.9418 -2.9418 -1.1697 -1.1697 -0.0873 -0.0873 1.0994 1.0994 3.5416 3.5416 4.1444 4.1444 4.2341 4.2341 4.3812 4.3812 4.5808 4.5808 4.8856 4.8856 5.0685 5.0685 5.1564 5.1564 5.4605 5.4605 5.8251 5.8251 5.9218 5.9218 6.2887 6.2887 6.3675 6.3675 6.4114 6.4114 6.4595 6.4595 6.7832 6.7832 7.0211 7.0211 7.3676 7.3676 7.7054 7.7054 7.9356 7.9356 k = 0.0000 0.0000 0.1114 ( 5320 PWs) bands (ev): -7.3013 -7.3013 -6.4837 -6.4837 -5.7752 -5.7752 -4.9893 -4.9893 -4.1429 -4.1429 -2.9563 -2.9563 -1.1438 -1.1438 -0.1212 -0.1212 1.1191 1.1191 3.5354 3.5354 4.1408 4.1408 4.2288 4.2288 4.3812 4.3812 4.5806 4.5806 4.8856 4.8856 5.1031 5.1031 5.1564 5.1564 5.4342 5.4342 5.8272 5.8272 5.9110 5.9110 6.2962 6.2962 6.3759 6.3759 6.4361 6.4361 6.4462 6.4462 6.7555 6.7555 7.0330 7.0330 7.3615 7.3615 7.7407 7.7407 7.9230 7.9230 k = 0.0000 0.0000 0.1238 ( 5290 PWs) bands (ev): -7.3012 -7.3012 -6.4839 -6.4839 -5.7739 -5.7739 -4.9926 -4.9926 -4.1381 -4.1381 -2.9612 -2.9612 -1.1346 -1.1346 -0.1330 -0.1330 1.1257 1.1257 3.5333 3.5333 4.1395 4.1395 4.2272 4.2272 4.3812 4.3812 4.5805 4.5805 4.8856 4.8856 5.1161 5.1161 5.1564 5.1564 5.4239 5.4239 5.8283 5.8283 5.9070 5.9070 6.2990 6.2990 6.3786 6.3786 6.4413 6.4413 6.4454 6.4454 6.7452 6.7452 7.0371 7.0371 7.3594 7.3594 7.7543 7.7543 7.9187 7.9187 k = 0.0000 0.0000 0.1238 ( 5290 PWs) bands (ev): -7.3012 -7.3012 -6.4839 -6.4839 -5.7739 -5.7739 -4.9926 -4.9926 -4.1381 -4.1381 -2.9612 -2.9612 -1.1346 -1.1346 -0.1330 -0.1330 1.1257 1.1257 3.5333 3.5333 4.1395 4.1395 4.2272 4.2272 4.3812 4.3812 4.5805 4.5805 4.8856 4.8856 5.1161 5.1161 5.1564 5.1564 5.4239 5.4239 5.8283 5.8283 5.9070 5.9070 6.2990 6.2990 6.3786 6.3786 6.4413 6.4413 6.4454 6.4454 6.7452 6.7452 7.0371 7.0371 7.3594 7.3594 7.7543 7.7543 7.9187 7.9187 k = 0.0114 0.0066 0.1238 ( 5302 PWs) bands (ev): -7.3000 -7.3000 -6.4828 -6.4828 -5.7729 -5.7729 -4.9916 -4.9916 -4.1374 -4.1374 -2.9605 -2.9605 -1.1350 -1.1350 -0.1335 -0.1335 1.1209 1.1209 3.5315 3.5315 4.1303 4.1303 4.2068 4.2068 4.3926 4.3926 4.5702 4.5702 4.8676 4.8676 5.1355 5.1355 5.1425 5.1425 5.4354 5.4354 5.8278 5.8278 5.8966 5.8966 6.2876 6.2876 6.3389 6.3389 6.3914 6.3914 6.5591 6.5591 6.7617 6.7617 7.0089 7.0089 7.3599 7.3599 7.7286 7.7286 7.9617 7.9617 k = 0.0227 0.0131 0.1238 ( 5310 PWs) bands (ev): -7.2962 -7.2962 -6.4792 -6.4792 -5.7700 -5.7700 -4.9885 -4.9885 -4.1350 -4.1350 -2.9584 -2.9584 -1.1363 -1.1363 -0.1348 -0.1348 1.1067 1.1067 3.5259 3.5259 4.0957 4.0957 4.1666 4.1666 4.4111 4.4111 4.5435 4.5435 4.8297 4.8297 5.0936 5.0936 5.1886 5.1886 5.4604 5.4604 5.8258 5.8258 5.8699 5.8699 6.2552 6.2552 6.2772 6.2772 6.3956 6.3956 6.6816 6.6816 6.8124 6.8124 6.9408 6.9408 7.3477 7.3477 7.6980 7.6980 8.0430 8.0430 k = 0.0341 0.0197 0.1238 ( 5304 PWs) bands (ev): -7.2899 -7.2899 -6.4733 -6.4733 -5.7650 -5.7650 -4.9834 -4.9834 -4.1311 -4.1311 -2.9549 -2.9549 -1.1386 -1.1386 -0.1370 -0.1370 1.0832 1.0832 3.5156 3.5156 4.0272 4.0272 4.1313 4.1313 4.4153 4.4153 4.5121 4.5121 4.7891 4.7891 5.0361 5.0361 5.2339 5.2339 5.4826 5.4826 5.8084 5.8084 5.8535 5.8535 6.2046 6.2046 6.2507 6.2507 6.4041 6.4041 6.7686 6.7686 6.8611 6.8611 6.9205 6.9205 7.3086 7.3086 7.6935 7.6935 8.1232 8.1232 k = 0.0455 0.0262 0.1238 ( 5304 PWs) bands (ev): -7.2810 -7.2810 -6.4651 -6.4651 -5.7581 -5.7581 -4.9762 -4.9762 -4.1256 -4.1256 -2.9501 -2.9501 -1.1418 -1.1418 -0.1402 -0.1402 1.0508 1.0508 3.4993 3.4993 3.9366 3.9366 4.0974 4.0974 4.3912 4.3912 4.4873 4.4873 4.7506 4.7506 4.9756 4.9756 5.2583 5.2583 5.4896 5.4896 5.7759 5.7759 5.8610 5.8610 6.1536 6.1536 6.2428 6.2428 6.4188 6.4188 6.7294 6.7294 6.9015 6.9015 7.0480 7.0480 7.2507 7.2507 7.7108 7.7108 8.1864 8.1864 k = 0.0568 0.0328 0.1238 ( 5312 PWs) bands (ev): -7.2696 -7.2696 -6.4545 -6.4545 -5.7493 -5.7493 -4.9671 -4.9671 -4.1186 -4.1186 -2.9439 -2.9439 -1.1462 -1.1462 -0.1446 -0.1446 1.0102 1.0102 3.4741 3.4741 3.8357 3.8357 4.0607 4.0607 4.3442 4.3442 4.4618 4.4618 4.7139 4.7139 4.9201 4.9201 5.2556 5.2556 5.4735 5.4735 5.7516 5.7516 5.8696 5.8696 6.1044 6.1044 6.2548 6.2548 6.4395 6.4395 6.6592 6.6592 6.9790 6.9790 7.1353 7.1353 7.2360 7.2360 7.7388 7.7388 8.2080 8.2080 k = 0.0682 0.0394 0.1238 ( 5320 PWs) bands (ev): -7.2558 -7.2558 -6.4415 -6.4415 -5.7386 -5.7386 -4.9559 -4.9559 -4.1101 -4.1101 -2.9364 -2.9364 -1.1519 -1.1519 -0.1501 -0.1501 0.9618 0.9618 3.4360 3.4360 3.7329 3.7329 4.0204 4.0204 4.2847 4.2847 4.4250 4.4250 4.6750 4.6750 4.8770 4.8770 5.2296 5.2296 5.4341 5.4341 5.7288 5.7288 5.8663 5.8663 6.0692 6.0692 6.2782 6.2782 6.4638 6.4638 6.6174 6.6174 7.0390 7.0390 7.1010 7.1010 7.3507 7.3507 7.7707 7.7707 8.1937 8.1937 k = 0.0795 0.0459 0.1238 ( 5316 PWs) bands (ev): -7.2394 -7.2394 -6.4263 -6.4263 -5.7259 -5.7259 -4.9427 -4.9427 -4.1001 -4.1001 -2.9277 -2.9277 -1.1590 -1.1590 -0.1570 -0.1570 0.9065 0.9065 3.3786 3.3786 3.6369 3.6369 3.9768 3.9768 4.2166 4.2166 4.3771 4.3771 4.6299 4.6299 4.8490 4.8490 5.1865 5.1865 5.3775 5.3775 5.6870 5.6870 5.8560 5.8560 6.0574 6.0574 6.2856 6.2856 6.5021 6.5021 6.6174 6.6174 6.9834 6.9834 7.1656 7.1656 7.4502 7.4502 7.8051 7.8051 8.1852 8.1852 k = 0.0909 0.0525 0.1238 ( 5328 PWs) bands (ev): -7.2205 -7.2205 -6.4087 -6.4087 -5.7114 -5.7114 -4.9276 -4.9276 -4.0887 -4.0887 -2.9178 -2.9178 -1.1678 -1.1678 -0.1654 -0.1654 0.8449 0.8449 3.2969 3.2969 3.5545 3.5545 3.9289 3.9289 4.1428 4.1428 4.3223 4.3223 4.5790 4.5790 4.8323 4.8323 5.1294 5.1294 5.3089 5.3089 5.6245 5.6245 5.8490 5.8490 6.0607 6.0607 6.2651 6.2651 6.5655 6.5655 6.6463 6.6463 6.9076 6.9076 7.2526 7.2526 7.4937 7.4937 7.8439 7.8439 8.2197 8.2197 k = 0.1023 0.0590 0.1238 ( 5332 PWs) bands (ev): -7.1992 -7.1992 -6.3889 -6.3889 -5.6951 -5.6951 -4.9105 -4.9105 -4.0759 -4.0759 -2.9069 -2.9069 -1.1785 -1.1785 -0.1755 -0.1755 0.7780 0.7780 3.1934 3.1934 3.4846 3.4846 3.8741 3.8741 4.0679 4.0679 4.2646 4.2646 4.5254 4.5254 4.8200 4.8200 5.0566 5.0566 5.2326 5.2326 5.5599 5.5599 5.8436 5.8436 6.0645 6.0645 6.2367 6.2367 6.6324 6.6324 6.6837 6.6837 6.8443 6.8443 7.3374 7.3374 7.4863 7.4863 7.8825 7.8825 8.3090 8.3090 k = 0.1136 0.0656 0.1238 ( 5336 PWs) bands (ev): -7.1754 -7.1754 -6.3668 -6.3668 -5.6769 -5.6769 -4.8915 -4.8915 -4.0617 -4.0617 -2.8950 -2.8950 -1.1915 -1.1915 -0.1874 -0.1874 0.7064 0.7064 3.0758 3.0758 3.4208 3.4208 3.8091 3.8091 3.9977 3.9977 4.2064 4.2064 4.4713 4.4713 4.8061 4.8061 4.9656 4.9656 5.1536 5.1536 5.5079 5.5079 5.8357 5.8357 6.0562 6.0562 6.2185 6.2185 6.6566 6.6566 6.7122 6.7122 6.8285 6.8285 7.3955 7.3955 7.4862 7.4862 7.9149 7.9149 8.4284 8.4284 k = 0.1250 0.0722 0.1238 ( 5332 PWs) bands (ev): -7.1491 -7.1491 -6.3424 -6.3424 -5.6571 -5.6571 -4.8705 -4.8705 -4.0463 -4.0463 -2.8823 -2.8823 -1.2071 -1.2071 -0.2011 -0.2011 0.6310 0.6310 2.9508 2.9508 3.3579 3.3579 3.7330 3.7330 3.9346 3.9346 4.1496 4.1496 4.4174 4.4174 4.7823 4.7823 4.8626 4.8626 5.0761 5.0761 5.4733 5.4733 5.8225 5.8225 6.0338 6.0338 6.2117 6.2117 6.6142 6.6142 6.7323 6.7323 6.8578 6.8578 7.4078 7.4078 7.5508 7.5508 7.9414 7.9414 8.4998 8.4998 k = 0.1364 0.0787 0.1238 ( 5334 PWs) bands (ev): -7.1204 -7.1204 -6.3159 -6.3159 -5.6355 -5.6355 -4.8478 -4.8478 -4.0295 -4.0295 -2.8689 -2.8689 -1.2257 -1.2257 -0.2168 -0.2168 0.5526 0.5526 2.8223 2.8223 3.2934 3.2934 3.6492 3.6492 3.8763 3.8763 4.0959 4.0959 4.3629 4.3629 4.7081 4.7081 4.7920 4.7920 5.0019 5.0019 5.4548 5.4548 5.8019 5.8019 6.0058 6.0058 6.2034 6.2034 6.5595 6.5595 6.7177 6.7177 6.8919 6.8919 7.4435 7.4435 7.6338 7.6338 7.9650 7.9650 8.5078 8.5078 k = 0.1477 0.0853 0.1238 ( 5336 PWs) bands (ev): -7.0892 -7.0892 -6.2871 -6.2871 -5.6123 -5.6123 -4.8232 -4.8232 -4.0117 -4.0117 -2.8549 -2.8549 -1.2478 -1.2478 -0.2346 -0.2346 0.4718 0.4718 2.6924 2.6924 3.2269 3.2269 3.5622 3.5622 3.8183 3.8183 4.0465 4.0465 4.3055 4.3055 4.5883 4.5883 4.7560 4.7560 4.9321 4.9321 5.4486 5.4486 5.7729 5.7729 5.9792 5.9792 6.1799 6.1799 6.5142 6.5142 6.6632 6.6632 6.9276 6.9276 7.5141 7.5141 7.7168 7.7168 7.9887 7.9887 8.5018 8.5018 k = 0.1591 0.0919 0.1238 ( 5338 PWs) bands (ev): -7.0557 -7.0557 -6.2562 -6.2562 -5.5876 -5.5876 -4.7969 -4.7969 -3.9927 -3.9927 -2.8405 -2.8405 -1.2736 -1.2736 -0.2543 -0.2543 0.3894 0.3894 2.5623 2.5623 3.1585 3.1585 3.4756 3.4756 3.7581 3.7581 4.0014 4.0014 4.2399 4.2399 4.4696 4.4696 4.7160 4.7160 4.8692 4.8692 5.4504 5.4504 5.7366 5.7366 5.9545 5.9545 6.1354 6.1354 6.4759 6.4759 6.5947 6.5947 6.9631 6.9631 7.6011 7.6011 7.7961 7.7961 8.0159 8.0159 8.4949 8.4949 k = 0.1705 0.0984 0.1238 ( 5328 PWs) bands (ev): -7.0198 -7.0198 -6.2232 -6.2232 -5.5614 -5.5614 -4.7688 -4.7688 -3.9728 -3.9728 -2.8260 -2.8260 -1.3037 -1.3037 -0.2758 -0.2758 0.3059 0.3059 2.4330 2.4330 3.0892 3.0892 3.3911 3.3911 3.6946 3.6946 3.9597 3.9597 4.1566 4.1566 4.3704 4.3704 4.6652 4.6652 4.8158 4.8158 5.4550 5.4550 5.6966 5.6966 5.9260 5.9260 6.0776 6.0776 6.4175 6.4175 6.5530 6.5530 6.9953 6.9953 7.6852 7.6852 7.8701 7.8701 8.0510 8.0510 8.4938 8.4938 k = 0.1818 0.1050 0.1238 ( 5330 PWs) bands (ev): -6.9816 -6.9816 -6.1881 -6.1881 -5.5339 -5.5339 -4.7390 -4.7390 -3.9519 -3.9519 -2.8116 -2.8116 -1.3385 -1.3385 -0.2990 -0.2990 0.2219 0.2219 2.3051 2.3051 3.0198 3.0198 3.3093 3.3093 3.6281 3.6281 3.9197 3.9197 4.0519 4.0519 4.2985 4.2985 4.6039 4.6039 4.7713 4.7713 5.4555 5.4555 5.6568 5.6568 5.8829 5.8829 6.0241 6.0241 6.3339 6.3339 6.5463 6.5463 7.0219 7.0219 7.7516 7.7516 7.9358 7.9358 8.0982 8.0982 8.5038 8.5038 k = 0.1932 0.1115 0.1238 ( 5332 PWs) bands (ev): -6.9411 -6.9411 -6.1510 -6.1510 -5.5050 -5.5050 -4.7077 -4.7077 -3.9302 -3.9302 -2.7976 -2.7976 -1.3781 -1.3781 -0.3237 -0.3237 0.1378 0.1378 2.1790 2.1790 2.9513 2.9513 3.2301 3.2301 3.5591 3.5591 3.8790 3.8790 3.9364 3.9364 4.2474 4.2474 4.5355 4.5355 4.7326 4.7326 5.4424 5.4424 5.6193 5.6193 5.8232 5.8232 5.9877 5.9877 6.2464 6.2464 6.5541 6.5541 7.0420 7.0420 7.7936 7.7936 7.9895 7.9895 8.1558 8.1558 8.5293 8.5293 k = 0.2045 0.1181 0.1238 ( 5328 PWs) bands (ev): -6.8983 -6.8983 -6.1120 -6.1120 -5.4750 -5.4750 -4.6748 -4.6748 -3.9079 -3.9079 -2.7842 -2.7842 -1.4227 -1.4227 -0.3495 -0.3495 0.0541 0.0541 2.0551 2.0551 2.8844 2.8844 3.1525 3.1525 3.4882 3.4882 3.8102 3.8102 3.8480 3.8480 4.2084 4.2084 4.4637 4.4637 4.6967 4.6967 5.4069 5.4069 5.5759 5.5759 5.7711 5.7711 5.9617 5.9617 6.1657 6.1657 6.5666 6.5666 7.0551 7.0551 7.8120 7.8120 8.0317 8.0317 8.2096 8.2096 8.5726 8.5726 k = 0.2159 0.1247 0.1238 ( 5336 PWs) bands (ev): -6.8533 -6.8533 -6.0711 -6.0711 -5.4440 -5.4440 -4.6404 -4.6404 -3.8851 -3.8851 -2.7719 -2.7719 -1.4723 -1.4723 -0.3763 -0.3763 -0.0291 -0.0291 1.9340 1.9340 2.8195 2.8195 3.0755 3.0755 3.4157 3.4157 3.7023 3.7023 3.8048 3.8048 4.1764 4.1764 4.3907 4.3907 4.6617 4.6617 5.3460 5.3460 5.5159 5.5159 5.7498 5.7498 5.9354 5.9354 6.0982 6.0982 6.5805 6.5805 7.0616 7.0616 7.8112 7.8112 8.0646 8.0646 8.2421 8.2421 8.6329 8.6329 k = 0.2273 0.1312 0.1238 ( 5338 PWs) bands (ev): -6.8061 -6.8061 -6.0283 -6.0283 -5.4121 -5.4121 -4.6047 -4.6047 -3.8618 -3.8618 -2.7611 -2.7611 -1.5267 -1.5267 -0.4039 -0.4039 -0.1113 -0.1113 1.8160 1.8160 2.7565 2.7565 2.9974 2.9974 3.3423 3.3423 3.6029 3.6029 3.7637 3.7637 4.1485 4.1485 4.3181 4.3181 4.6267 4.6267 5.2605 5.2605 5.4497 5.4497 5.7507 5.7507 5.9028 5.9028 6.0498 6.0498 6.5943 6.5943 7.0621 7.0621 7.7959 7.7959 8.0830 8.0830 8.2510 8.2510 8.7030 8.7030 k = 0.2386 0.1378 0.1238 ( 5348 PWs) bands (ev): -6.7567 -6.7567 -5.9839 -5.9839 -5.3794 -5.3794 -4.5677 -4.5677 -3.8383 -3.8383 -2.7523 -2.7523 -1.5853 -1.5853 -0.4324 -0.4324 -0.1921 -0.1921 1.7015 1.7015 2.6947 2.6947 2.9172 2.9172 3.2695 3.2695 3.5169 3.5169 3.7227 3.7227 4.1221 4.1221 4.2475 4.2475 4.5909 4.5909 5.1567 5.1567 5.3884 5.3884 5.7499 5.7499 5.8711 5.8711 6.0212 6.0212 6.6076 6.6076 7.0574 7.0574 7.7700 7.7700 8.0709 8.0709 8.2575 8.2575 8.7735 8.7735 k = 0.2500 0.1443 0.1238 ( 5340 PWs) bands (ev): -6.7053 -6.7053 -5.9378 -5.9378 -5.3462 -5.3462 -4.5294 -4.5294 -3.8146 -3.8146 -2.7461 -2.7461 -1.6476 -1.6476 -0.4622 -0.4622 -0.2708 -0.2708 1.5909 1.5909 2.6330 2.6330 2.8347 2.8347 3.1997 3.1997 3.4450 3.4450 3.6817 3.6817 4.0927 4.0927 4.1823 4.1823 4.5536 4.5536 5.0443 5.0443 5.3329 5.3329 5.7234 5.7234 5.8604 5.8604 6.0073 6.0073 6.6202 6.6202 7.0486 7.0486 7.7361 7.7361 8.0203 8.0203 8.2801 8.2801 8.8394 8.8394 k = 0.2614 0.1509 0.1238 ( 5346 PWs) bands (ev): -6.6519 -6.6519 -5.8901 -5.8901 -5.3127 -5.3127 -4.4901 -4.4901 -3.7911 -3.7911 -2.7432 -2.7432 -1.7127 -1.7127 -0.4940 -0.4940 -0.3464 -0.3464 1.4845 1.4845 2.5690 2.5690 2.7520 2.7520 3.1349 3.1349 3.3863 3.3863 3.6412 3.6412 4.0517 4.0517 4.1303 4.1303 4.5137 4.5137 4.9318 4.9318 5.2815 5.2815 5.6737 5.6737 5.8667 5.8667 6.0045 6.0045 6.6324 6.6324 7.0366 7.0366 7.6956 7.6956 7.9460 7.9460 8.3151 8.3151 8.8998 8.8998 k = 0.2727 0.1575 0.1238 ( 5356 PWs) bands (ev): -6.5966 -6.5966 -5.8410 -5.8410 -5.2791 -5.2791 -4.4499 -4.4499 -3.7678 -3.7678 -2.7442 -2.7442 -1.7794 -1.7794 -0.5301 -0.5301 -0.4164 -0.4164 1.3825 1.3825 2.4999 2.4999 2.6729 2.6729 3.0760 3.0760 3.3395 3.3395 3.6018 3.6018 3.9944 3.9944 4.0950 4.0950 4.4695 4.4695 4.8257 4.8257 5.2330 5.2330 5.6159 5.6159 5.8728 5.8728 6.0116 6.0116 6.6443 6.6443 7.0224 7.0224 7.6482 7.6482 7.8638 7.8638 8.3554 8.3554 8.9548 8.9548 k = 0.2841 0.1640 0.1238 ( 5336 PWs) bands (ev): -6.5394 -6.5394 -5.7906 -5.7906 -5.2456 -5.2456 -4.4088 -4.4088 -3.7450 -3.7450 -2.7501 -2.7501 -1.8466 -1.8466 -0.5739 -0.5739 -0.4771 -0.4771 1.2853 1.2853 2.4231 2.4231 2.6017 2.6017 3.0224 3.0224 3.3030 3.3030 3.5642 3.5642 3.9283 3.9283 4.0668 4.0668 4.4196 4.4196 4.7319 4.7319 5.1868 5.1868 5.5565 5.5565 5.8721 5.8721 6.0258 6.0258 6.6564 6.6564 7.0071 7.0071 7.5924 7.5924 7.7849 7.7849 8.3973 8.3973 9.0040 9.0040 k = 0.2955 0.1706 0.1238 ( 5356 PWs) bands (ev): -6.4805 -6.4805 -5.7391 -5.7391 -5.2126 -5.2126 -4.3670 -4.3670 -3.7227 -3.7227 -2.7616 -2.7616 -1.9130 -1.9130 -0.6278 -0.6278 -0.5260 -0.5260 1.1931 1.1931 2.3392 2.3392 2.5399 2.5399 2.9734 2.9734 3.2753 3.2753 3.5294 3.5294 3.8589 3.8589 4.0380 4.0380 4.3640 4.3640 4.6545 4.6545 5.1426 5.1426 5.4979 5.4979 5.8647 5.8647 6.0422 6.0422 6.6686 6.6686 6.9917 6.9917 7.5276 7.5276 7.7163 7.7163 8.4391 8.4391 9.0460 9.0460 k = 0.3068 0.1771 0.1238 ( 5356 PWs) bands (ev): -6.4199 -6.4199 -5.6867 -5.6867 -5.1803 -5.1803 -4.3247 -4.3247 -3.7013 -3.7013 -2.7795 -2.7795 -1.9775 -1.9775 -0.6883 -0.6883 -0.5659 -0.5659 1.1058 1.1058 2.2514 2.2514 2.4862 2.4862 2.9281 2.9281 3.2539 3.2539 3.4984 3.4984 3.7879 3.7879 4.0039 4.0039 4.3065 4.3065 4.5942 4.5942 5.1003 5.1003 5.4410 5.4410 5.8522 5.8522 6.0555 6.0555 6.6808 6.6808 6.9777 6.9777 7.4569 7.4569 7.6599 7.6599 8.4797 8.4797 9.0774 9.0774 k = 0.3182 0.1837 0.1238 ( 5348 PWs) bands (ev): -6.3579 -6.3579 -5.6334 -5.6334 -5.1492 -5.1492 -4.2822 -4.2822 -3.6808 -3.6808 -2.8045 -2.8045 -2.0389 -2.0389 -0.7504 -0.7504 -0.6017 -0.6017 1.0236 1.0236 2.1636 2.1636 2.4387 2.4387 2.8859 2.8859 3.2360 3.2360 3.4727 3.4727 3.7160 3.7160 3.9617 3.9617 4.2541 4.2541 4.5483 4.5483 5.0599 5.0599 5.3863 5.3863 5.8355 5.8355 6.0621 6.0621 6.6918 6.6918 6.9664 6.9664 7.3866 7.3866 7.6135 7.6135 8.5183 8.5183 9.0910 9.0910 k = 0.3295 0.1903 0.1238 ( 5354 PWs) bands (ev): -6.2945 -6.2945 -5.5797 -5.5797 -5.1195 -5.1195 -4.2396 -4.2396 -3.6614 -3.6614 -2.8369 -2.8369 -2.0965 -2.0965 -0.8107 -0.8107 -0.6360 -0.6360 0.9464 0.9464 2.0787 2.0787 2.3957 2.3957 2.8463 2.8463 3.2176 3.2176 3.4530 3.4530 3.6447 3.6447 3.9118 3.9118 4.2119 4.2119 4.5128 4.5128 5.0212 5.0212 5.3341 5.3341 5.8146 5.8146 6.0599 6.0599 6.7001 6.7001 6.9589 6.9589 7.3237 7.3237 7.5747 7.5747 8.5545 8.5545 9.0798 9.0798 k = 0.3409 0.1968 0.1238 ( 5354 PWs) bands (ev): -6.2299 -6.2299 -5.5256 -5.5256 -5.0918 -5.0918 -4.1972 -4.1972 -3.6432 -3.6432 -2.8764 -2.8764 -2.1500 -2.1500 -0.8677 -0.8677 -0.6700 -0.6700 0.8739 0.8739 1.9989 1.9989 2.3563 2.3563 2.8094 2.8094 3.1953 3.1953 3.4359 3.4359 3.5792 3.5792 3.8580 3.8580 4.1806 4.1806 4.4849 4.4849 4.9841 4.9841 5.2846 5.2846 5.7887 5.7887 6.0483 6.0483 6.7038 6.7038 6.9550 6.9550 7.2739 7.2739 7.5420 7.5420 8.5881 8.5881 9.0507 9.0507 k = 0.3523 0.2034 0.1238 ( 5348 PWs) bands (ev): -6.1643 -6.1643 -5.4716 -5.4716 -5.0665 -5.0665 -4.1554 -4.1554 -3.6262 -3.6262 -2.9225 -2.9225 -2.1995 -2.1995 -0.9201 -0.9201 -0.7041 -0.7041 0.8060 0.8060 1.9258 1.9258 2.3202 2.3202 2.7749 2.7749 3.1665 3.1665 3.4075 3.4075 3.5345 3.5345 3.8060 3.8060 4.1580 4.1580 4.4626 4.4626 4.9487 4.9487 5.2380 5.2380 5.7564 5.7564 6.0287 6.0287 6.7024 6.7024 6.9518 6.9518 7.2419 7.2419 7.5156 7.5156 8.6189 8.6189 9.0150 9.0150 k = 0.3636 0.2099 0.1238 ( 5358 PWs) bands (ev): -6.0979 -6.0979 -5.4179 -5.4179 -5.0440 -5.0440 -4.1143 -4.1143 -3.6103 -3.6103 -2.9739 -2.9739 -2.2454 -2.2454 -0.9672 -0.9672 -0.7385 -0.7385 0.7423 0.7423 1.8604 1.8604 2.2870 2.2870 2.7428 2.7428 3.1297 3.1297 3.3559 3.3559 3.5224 3.5224 3.7609 3.7609 4.1415 4.1415 4.4447 4.4447 4.9148 4.9148 5.1944 5.1944 5.7160 5.7160 6.0037 6.0037 6.6967 6.6967 6.9452 6.9452 7.2296 7.2296 7.4967 7.4967 8.6467 8.6467 8.9787 8.9787 k = 0.3750 0.2165 0.1238 ( 5354 PWs) bands (ev): -6.0311 -6.0311 -5.3650 -5.3650 -5.0249 -5.0249 -4.0745 -4.0745 -3.5956 -3.5956 -3.0292 -3.0292 -2.2883 -2.2883 -1.0085 -1.0085 -0.7730 -0.7730 0.6826 0.6826 1.8037 1.8037 2.2566 2.2566 2.7131 2.7131 3.0835 3.0835 3.2948 3.2948 3.5272 3.5272 3.7286 3.7286 4.1295 4.1295 4.4306 4.4306 4.8824 4.8824 5.1540 5.1540 5.6659 5.6659 5.9767 5.9767 6.6886 6.6886 6.9333 6.9333 7.2334 7.2334 7.4879 7.4879 8.6715 8.6715 8.9438 8.9438 k = 0.3864 0.2231 0.1238 ( 5366 PWs) bands (ev): -5.9642 -5.9642 -5.3134 -5.3134 -5.0096 -5.0096 -4.0364 -4.0364 -3.5819 -3.5819 -3.0867 -3.0867 -2.3289 -2.3289 -1.0438 -1.0438 -0.8074 -0.8074 0.6268 0.6268 1.7561 1.7561 2.2289 2.2289 2.6856 2.6856 3.0275 3.0275 3.2377 3.2377 3.5303 3.5303 3.7162 3.7162 4.1211 4.1211 4.4197 4.4197 4.8515 4.8515 5.1168 5.1168 5.6055 5.6055 5.9508 5.9508 6.6795 6.6795 6.9174 6.9174 7.2442 7.2442 7.4936 7.4936 8.6934 8.6934 8.9113 8.9113 k = 0.3977 0.2296 0.1238 ( 5378 PWs) bands (ev): -5.8976 -5.8976 -5.2634 -5.2634 -4.9987 -4.9987 -4.0002 -4.0002 -3.5691 -3.5691 -3.1448 -3.1448 -2.3677 -2.3677 -1.0728 -1.0728 -0.8415 -0.8415 0.5748 0.5748 1.7176 1.7176 2.2037 2.2037 2.6600 2.6600 2.9635 2.9635 3.1893 3.1893 3.5222 3.5222 3.7277 3.7277 4.1161 4.1161 4.4116 4.4116 4.8219 4.8219 5.0831 5.0831 5.5359 5.5359 5.9278 5.9278 6.6707 6.6707 6.9002 6.9002 7.2527 7.2527 7.5171 7.5171 8.7124 8.7124 8.8818 8.8818 k = 0.4091 0.2362 0.1238 ( 5376 PWs) bands (ev): -5.8318 -5.8318 -5.2158 -5.2158 -4.9923 -4.9923 -3.9665 -3.9665 -3.5571 -3.5571 -3.2017 -3.2017 -2.4048 -2.4048 -1.0955 -1.0955 -0.8750 -0.8750 0.5266 0.5266 1.6882 1.6882 2.1810 2.1810 2.6357 2.6357 2.8959 2.8959 3.1492 3.1492 3.5050 3.5050 3.7576 3.7576 4.1149 4.1149 4.4058 4.4058 4.7937 4.7937 5.0528 5.0528 5.4590 5.4590 5.9082 5.9082 6.6626 6.6626 6.8832 6.8832 7.2548 7.2548 7.5579 7.5579 8.7285 8.7285 8.8556 8.8556 k = 0.4205 0.2427 0.1238 ( 5376 PWs) bands (ev): -5.7674 -5.7674 -5.1712 -5.1712 -4.9909 -4.9909 -3.9356 -3.9356 -3.5461 -3.5461 -3.2558 -3.2558 -2.4401 -2.4401 -1.1122 -1.1122 -0.9075 -0.9075 0.4826 0.4826 1.6673 1.6673 2.1606 2.1606 2.6119 2.6119 2.8297 2.8297 3.1158 3.1158 3.4845 3.4845 3.7969 3.7969 4.1188 4.1188 4.4018 4.4018 4.7668 4.7668 5.0261 5.0261 5.3777 5.3777 5.8919 5.8919 6.6555 6.6555 6.8676 6.8676 7.2514 7.2514 7.6117 7.6117 8.7417 8.7417 8.8328 8.8328 k = 0.4318 0.2493 0.1238 ( 5370 PWs) bands (ev): -5.7054 -5.7054 -5.1303 -5.1303 -4.9941 -4.9941 -3.9076 -3.9076 -3.5367 -3.5367 -3.3051 -3.3051 -2.4733 -2.4733 -1.1232 -1.1232 -0.9387 -0.9387 0.4430 0.4430 1.6540 1.6540 2.1424 2.1424 2.5873 2.5873 2.7699 2.7699 3.0877 3.0877 3.4643 3.4643 3.8380 3.8380 4.1294 4.1294 4.3993 4.3993 4.7410 4.7410 5.0031 5.0031 5.2950 5.2950 5.8786 5.8786 6.6496 6.6496 6.8538 6.8538 7.2450 7.2450 7.6730 7.6730 8.7518 8.7518 8.8141 8.8141 k = 0.4432 0.2559 0.1238 ( 5368 PWs) bands (ev): -5.6467 -5.6467 -5.0940 -5.0940 -5.0017 -5.0017 -3.8828 -3.8828 -3.5304 -3.5304 -3.3472 -3.3472 -2.5037 -2.5037 -1.1287 -1.1287 -0.9684 -0.9684 0.4083 0.4083 1.6473 1.6473 2.1264 2.1264 2.5605 2.5605 2.7204 2.7204 3.0642 3.0642 3.4463 3.4463 3.8755 3.8755 4.1493 4.1493 4.3973 4.3973 4.7163 4.7163 4.9838 4.9838 5.2139 5.2139 5.8678 5.8678 6.6447 6.6447 6.8419 6.8419 7.2376 7.2376 7.7370 7.7370 8.7581 8.7581 8.8001 8.8001 k = 0.4545 0.2624 0.1238 ( 5370 PWs) bands (ev): -5.5929 -5.5929 -5.0634 -5.0634 -5.0124 -5.0124 -3.8611 -3.8611 -3.5293 -3.5293 -3.3794 -3.3794 -2.5305 -2.5305 -1.1292 -1.1292 -0.9962 -0.9962 0.3789 0.3789 1.6456 1.6456 2.1125 2.1125 2.5313 2.5313 2.6838 2.6838 3.0451 3.0451 3.4310 3.4310 3.9051 3.9051 4.1797 4.1797 4.3952 4.3952 4.6925 4.6925 4.9683 4.9683 5.1380 5.1380 5.8593 5.8593 6.6409 6.6409 6.8321 6.8321 7.2305 7.2305 7.7994 7.7994 8.7595 8.7595 8.7922 8.7922 k = 0.4659 0.2690 0.1238 ( 5370 PWs) bands (ev): -5.5461 -5.5461 -5.0424 -5.0424 -5.0215 -5.0215 -3.8429 -3.8429 -3.5347 -3.5347 -3.3997 -3.3997 -2.5528 -2.5528 -1.1253 -1.1253 -1.0220 -1.0220 0.3555 0.3555 1.6472 1.6472 2.1010 2.1010 2.5024 2.5024 2.6592 2.6592 3.0300 3.0300 3.4190 3.4190 3.9255 3.9255 4.2194 4.2194 4.3914 4.3914 4.6699 4.6699 4.9569 4.9569 5.0709 5.0709 5.8529 5.8529 6.6380 6.6380 6.8245 6.8245 7.2245 7.2245 7.8559 7.8559 8.7567 8.7567 8.7897 8.7897 k = 0.4773 0.2756 0.1238 ( 5364 PWs) bands (ev): -5.5088 -5.5088 -5.0443 -5.0443 -5.0141 -5.0141 -3.8286 -3.8286 -3.5446 -3.5446 -3.4093 -3.4093 -2.5696 -2.5696 -1.1176 -1.1176 -1.0451 -1.0451 0.3385 0.3385 1.6503 1.6503 2.0922 2.0922 2.4781 2.4781 2.6441 2.6441 3.0193 3.0193 3.4104 3.4104 3.9380 3.9380 4.2635 4.2635 4.3840 4.3840 4.6494 4.6494 4.9501 4.9501 5.0169 5.0169 5.8484 5.8484 6.6360 6.6360 6.8190 6.8190 7.2199 7.2199 7.9017 7.9017 8.7531 8.7531 8.7895 8.7895 k = 0.4886 0.2821 0.1238 ( 5364 PWs) bands (ev): -5.4845 -5.4845 -5.0528 -5.0528 -5.0040 -5.0040 -3.8194 -3.8194 -3.5537 -3.5537 -3.4127 -3.4127 -2.5800 -2.5800 -1.1073 -1.1073 -1.0646 -1.0646 0.3281 0.3281 1.6530 1.6530 2.0866 2.0866 2.4620 2.4620 2.6360 2.6360 3.0128 3.0128 3.4052 3.4052 3.9445 3.9445 4.3055 4.3055 4.3704 4.3704 4.6339 4.6339 4.9491 4.9491 4.9791 4.9791 5.8457 5.8457 6.6348 6.6348 6.8157 6.8157 7.2171 7.2171 7.9319 7.9319 8.7506 8.7506 8.7896 8.7896 k = 0.5000 0.2887 0.1238 ( 5344 PWs) bands (ev): -5.4759 -5.4759 -5.0562 -5.0562 -5.0004 -5.0004 -3.8161 -3.8161 -3.5573 -3.5573 -3.4134 -3.4134 -2.5836 -2.5836 -1.1002 -1.1002 -1.0747 -1.0747 0.3246 0.3246 1.6541 1.6541 2.0847 2.0847 2.4564 2.4564 2.6335 2.6335 3.0106 3.0106 3.4034 3.4034 3.9465 3.9465 4.3315 4.3315 4.3553 4.3553 4.6279 4.6279 4.9547 4.9547 4.9602 4.9602 5.8448 5.8448 6.6344 6.6344 6.8146 6.8146 7.2161 7.2161 7.9425 7.9425 8.7498 8.7498 8.7895 8.7895 k = 0.5000 0.2887 0.1238 ( 5344 PWs) bands (ev): -5.4759 -5.4759 -5.0562 -5.0562 -5.0004 -5.0004 -3.8161 -3.8161 -3.5573 -3.5573 -3.4134 -3.4134 -2.5836 -2.5836 -1.1002 -1.1002 -1.0747 -1.0747 0.3246 0.3246 1.6541 1.6541 2.0847 2.0847 2.4564 2.4564 2.6335 2.6335 3.0106 3.0106 3.4034 3.4034 3.9465 3.9465 4.3315 4.3315 4.3553 4.3553 4.6279 4.6279 4.9547 4.9547 4.9602 4.9602 5.8448 5.8448 6.6344 6.6344 6.8146 6.8146 7.2161 7.2161 7.9425 7.9425 8.7498 8.7498 8.7895 8.7895 k = 0.4933 0.3002 0.1238 ( 5368 PWs) bands (ev): -5.4750 -5.4750 -5.0554 -5.0554 -4.9996 -4.9996 -3.8153 -3.8153 -3.5567 -3.5567 -3.4130 -3.4130 -2.5847 -2.5847 -1.1011 -1.1011 -1.0765 -1.0765 0.3258 0.3258 1.6552 1.6552 2.0813 2.0813 2.4531 2.4531 2.6212 2.6212 3.0250 3.0250 3.4017 3.4017 3.9281 3.9281 4.2602 4.2602 4.4262 4.4262 4.6413 4.6413 4.8978 4.8978 5.0331 5.0331 5.8253 5.8253 6.5457 6.5457 6.9032 6.9032 7.2357 7.2357 7.9437 7.9437 8.7529 8.7529 8.7767 8.7767 k = 0.4867 0.3118 0.1238 ( 5366 PWs) bands (ev): -5.4724 -5.4724 -5.0527 -5.0527 -4.9971 -4.9971 -3.8131 -3.8131 -3.5551 -3.5551 -3.4117 -3.4117 -2.5880 -2.5880 -1.1040 -1.1040 -1.0818 -1.0818 0.3296 0.3296 1.6586 1.6586 2.0712 2.0712 2.4417 2.4417 2.5919 2.5919 3.0620 3.0620 3.3966 3.3966 3.8730 3.8730 4.1999 4.1999 4.4818 4.4818 4.6739 4.6739 4.8710 4.8710 5.1189 5.1189 5.7713 5.7713 6.4034 6.4034 7.0449 7.0449 7.2900 7.2900 7.9471 7.9471 8.7259 8.7259 8.7769 8.7769 k = 0.4800 0.3233 0.1238 ( 5366 PWs) bands (ev): -5.4679 -5.4679 -5.0482 -5.0482 -4.9929 -4.9929 -3.8093 -3.8093 -3.5524 -3.5524 -3.4097 -3.4097 -2.5935 -2.5935 -1.1090 -1.1090 -1.0904 -1.0904 0.3360 0.3360 1.6642 1.6642 2.0545 2.0545 2.4172 2.4172 2.5609 2.5609 3.1089 3.1089 3.3881 3.3881 3.7896 3.7896 4.1653 4.1653 4.5088 4.5088 4.6861 4.6861 4.9082 4.9082 5.2115 5.2115 5.6951 5.6951 6.2553 6.2553 7.1908 7.1908 7.3674 7.3674 7.9534 7.9534 8.6621 8.6621 8.8034 8.8034 k = 0.4733 0.3349 0.1238 ( 5362 PWs) bands (ev): -5.4618 -5.4618 -5.0421 -5.0421 -4.9872 -4.9872 -3.8041 -3.8041 -3.5487 -3.5487 -3.4068 -3.4068 -2.6015 -2.6015 -1.1162 -1.1162 -1.1018 -1.1018 0.3449 0.3449 1.6721 1.6721 2.0316 2.0316 2.3755 2.3755 2.5402 2.5402 3.1527 3.1527 3.3764 3.3764 3.6971 3.6971 4.1485 4.1485 4.5207 4.5207 4.6701 4.6701 4.9917 4.9917 5.3076 5.3076 5.6143 5.6143 6.1078 6.1078 7.3323 7.3323 7.4542 7.4542 7.9633 7.9633 8.5864 8.5864 8.8403 8.8403 k = 0.4667 0.3464 0.1238 ( 5360 PWs) bands (ev): -5.4539 -5.4539 -5.0342 -5.0342 -4.9798 -4.9798 -3.7973 -3.7973 -3.5440 -3.5440 -3.4032 -3.4032 -2.6120 -2.6120 -1.1265 -1.1265 -1.1150 -1.1150 0.3563 0.3563 1.6821 1.6821 2.0029 2.0029 2.3200 2.3200 2.5310 2.5310 3.1791 3.1791 3.3582 3.3582 3.6198 3.6198 4.1422 4.1422 4.5249 4.5249 4.6500 4.6500 5.0669 5.0669 5.4012 5.4012 5.5596 5.5596 5.9641 5.9641 7.4617 7.4617 7.5357 7.5357 7.9779 7.9779 8.5135 8.5135 8.8689 8.8689 k = 0.4600 0.3580 0.1238 ( 5364 PWs) bands (ev): -5.4444 -5.4444 -5.0247 -5.0247 -4.9709 -4.9709 -3.7892 -3.7892 -3.5385 -3.5385 -3.3988 -3.3988 -2.6251 -2.6251 -1.1410 -1.1410 -1.1283 -1.1283 0.3702 0.3702 1.6941 1.6941 1.9690 1.9690 2.2569 2.2569 2.5297 2.5297 3.1767 3.1767 3.3172 3.3172 3.5892 3.5892 4.1427 4.1427 4.5234 4.5234 4.6344 4.6344 5.0835 5.0835 5.4823 5.4823 5.5780 5.5780 5.8288 5.8288 7.5653 7.5653 7.5991 7.5991 7.9964 7.9964 8.4628 8.4628 8.8251 8.8251 k = 0.4533 0.3695 0.1238 ( 5370 PWs) bands (ev): -5.4334 -5.4334 -5.0136 -5.0136 -4.9605 -4.9605 -3.7797 -3.7797 -3.5322 -3.5322 -3.3938 -3.3938 -2.6412 -2.6412 -1.1593 -1.1593 -1.1419 -1.1419 0.3867 0.3867 1.7080 1.7080 1.9305 1.9305 2.1908 2.1908 2.5334 2.5334 3.1458 3.1458 3.2475 3.2475 3.6142 3.6142 4.1478 4.1478 4.5160 4.5160 4.6232 4.6232 5.0310 5.0310 5.5532 5.5532 5.6505 5.6505 5.7298 5.7298 7.6049 7.6049 7.6558 7.6558 8.0128 8.0128 8.4586 8.4586 8.7860 8.7860 k = 0.4467 0.3811 0.1238 ( 5360 PWs) bands (ev): -5.4207 -5.4207 -5.0009 -5.0009 -4.9488 -4.9488 -3.7689 -3.7689 -3.5252 -3.5252 -3.3881 -3.3881 -2.6603 -2.6603 -1.1800 -1.1800 -1.1565 -1.1565 0.4056 0.4056 1.7235 1.7235 1.8880 1.8880 2.1240 2.1240 2.5404 2.5404 3.0914 3.0914 3.1704 3.1704 3.6713 3.6713 4.1555 4.1555 4.5013 4.5013 4.6129 4.6129 4.9483 4.9483 5.5153 5.5153 5.7284 5.7284 5.7797 5.7797 7.5845 7.5845 7.6875 7.6875 8.0212 8.0212 8.5147 8.5147 8.7793 8.7793 k = 0.4400 0.3926 0.1238 ( 5360 PWs) bands (ev): -5.4067 -5.4067 -4.9869 -4.9869 -4.9357 -4.9357 -3.7568 -3.7568 -3.5176 -3.5176 -3.3819 -3.3819 -2.6826 -2.6826 -1.2019 -1.2019 -1.1726 -1.1726 0.4270 0.4270 1.7395 1.7395 1.8427 1.8427 2.0579 2.0579 2.5496 2.5496 3.0199 3.0199 3.1004 3.1004 3.7430 3.7430 4.1630 4.1630 4.4753 4.4753 4.5970 4.5970 4.8696 4.8696 5.4111 5.4111 5.8414 5.8414 5.8810 5.8810 7.5265 7.5265 7.6791 7.6791 8.0259 8.0259 8.6200 8.6200 8.8061 8.8061 k = 0.4333 0.4041 0.1238 ( 5352 PWs) bands (ev): -5.3913 -5.3913 -4.9715 -4.9715 -4.9214 -4.9214 -3.7435 -3.7435 -3.5097 -3.5097 -3.3751 -3.3751 -2.7084 -2.7084 -1.2244 -1.2244 -1.1903 -1.1903 0.4509 0.4509 1.7518 1.7518 1.7984 1.7984 1.9940 1.9940 2.5596 2.5596 2.9439 2.9439 3.0361 3.0361 3.8216 3.8216 4.1653 4.1653 4.4315 4.4315 4.5712 4.5712 4.8164 4.8164 5.3112 5.3112 5.9511 5.9511 5.9899 5.9899 7.4470 7.4470 7.6397 7.6397 8.0324 8.0324 8.7531 8.7531 8.8569 8.8569 k = 0.4267 0.4157 0.1238 ( 5352 PWs) bands (ev): -5.3747 -5.3747 -4.9549 -4.9549 -4.9061 -4.9061 -3.7292 -3.7292 -3.5016 -3.5016 -3.3679 -3.3679 -2.7375 -2.7375 -1.2469 -1.2469 -1.2095 -1.2095 0.4773 0.4773 1.7308 1.7308 1.7820 1.7820 1.9356 1.9356 2.5682 2.5682 2.8742 2.8742 2.9743 2.9743 3.9034 3.9034 4.1536 4.1536 4.3683 4.3683 4.5412 4.5412 4.7938 4.7938 5.2269 5.2269 6.0434 6.0434 6.1004 6.1004 7.3613 7.3613 7.5833 7.5833 8.0423 8.0423 8.8826 8.8826 8.9321 8.9321 k = 0.4200 0.4272 0.1238 ( 5344 PWs) bands (ev): -5.3570 -5.3570 -4.9373 -4.9373 -4.8899 -4.8899 -3.7138 -3.7138 -3.4935 -3.4935 -3.3604 -3.3604 -2.7700 -2.7700 -1.2689 -1.2689 -1.2302 -1.2302 0.5060 0.5060 1.6817 1.6817 1.7772 1.7772 1.8939 1.8939 2.5724 2.5724 2.8171 2.8171 2.9156 2.9156 3.9852 3.9852 4.1152 4.1152 4.2977 4.2977 4.5172 4.5172 4.7924 4.7924 5.1626 5.1626 6.1165 6.1165 6.1992 6.1992 7.2834 7.2834 7.5236 7.5236 8.0554 8.0554 8.9473 8.9473 9.0695 9.0695 k = 0.4133 0.4388 0.1238 ( 5360 PWs) bands (ev): -5.3384 -5.3384 -4.9188 -4.9188 -4.8729 -4.8729 -3.6975 -3.6975 -3.4856 -3.4856 -3.3525 -3.3525 -2.8057 -2.8057 -1.2899 -1.2899 -1.2519 -1.2519 0.5372 0.5372 1.6291 1.6291 1.7424 1.7424 1.8871 1.8871 2.5676 2.5676 2.7766 2.7766 2.8630 2.8630 4.0217 4.0217 4.0879 4.0879 4.2280 4.2280 4.5069 4.5069 4.8029 4.8029 5.1194 5.1194 6.1655 6.1655 6.2734 6.2734 7.2274 7.2274 7.4724 7.4724 8.0712 8.0712 8.9870 8.9870 9.2132 9.2132 k = 0.4067 0.4503 0.1238 ( 5356 PWs) bands (ev): -5.3191 -5.3191 -4.8996 -4.8996 -4.8554 -4.8554 -3.6805 -3.6805 -3.4781 -3.4781 -3.3444 -3.3444 -2.8444 -2.8444 -1.3097 -1.3097 -1.2744 -1.2744 0.5708 0.5708 1.5759 1.5759 1.6853 1.6853 1.9045 1.9045 2.5514 2.5514 2.7489 2.7489 2.8240 2.8240 3.9323 3.9323 4.1481 4.1481 4.1673 4.1673 4.5134 4.5134 4.8206 4.8206 5.0956 5.0956 6.1837 6.1837 6.3120 6.3120 7.2059 7.2059 7.4399 7.4399 8.0898 8.0898 9.0160 9.0160 9.3306 9.3306 k = 0.4000 0.4619 0.1238 ( 5356 PWs) bands (ev): -5.2992 -5.2992 -4.8799 -4.8799 -4.8378 -4.8378 -3.6628 -3.6628 -3.4713 -3.4713 -3.3361 -3.3361 -2.8856 -2.8856 -1.3282 -1.3282 -1.2972 -1.2972 0.6067 0.6067 1.5231 1.5231 1.6208 1.6208 1.9314 1.9314 2.5266 2.5266 2.7200 2.7200 2.8105 2.8105 3.8254 3.8254 4.0638 4.0638 4.2478 4.2478 4.5343 4.5343 4.8430 4.8430 5.0876 5.0876 6.1662 6.1662 6.3101 6.3101 7.2240 7.2240 7.4327 7.4327 8.1113 8.1113 9.0382 9.0382 9.3973 9.3973 k = 0.3933 0.4734 0.1238 ( 5356 PWs) bands (ev): -5.2790 -5.2790 -4.8601 -4.8601 -4.8201 -4.8201 -3.6446 -3.6446 -3.4654 -3.4654 -3.3278 -3.3278 -2.9288 -2.9288 -1.3454 -1.3454 -1.3196 -1.3196 0.6449 0.6449 1.4713 1.4713 1.5543 1.5543 1.9629 1.9629 2.4979 2.4979 2.6873 2.6873 2.8201 2.8201 3.7162 3.7162 3.9680 3.9680 4.3306 4.3306 4.5657 4.5657 4.8690 4.8690 5.0916 5.0916 6.1146 6.1146 6.2724 6.2724 7.2749 7.2749 7.4528 7.4528 8.1359 8.1359 9.0559 9.0559 9.4089 9.4089 k = 0.3867 0.4850 0.1238 ( 5360 PWs) bands (ev): -5.2589 -5.2589 -4.8403 -4.8403 -4.8029 -4.8029 -3.6261 -3.6261 -3.4607 -3.4607 -3.3194 -3.3194 -2.9731 -2.9731 -1.3618 -1.3618 -1.3406 -1.3406 0.6855 0.6855 1.4208 1.4208 1.4881 1.4881 1.9974 1.9974 2.4684 2.4684 2.6576 2.6576 2.8421 2.8421 3.6093 3.6093 3.8673 3.8673 4.4116 4.4116 4.6053 4.6053 4.8979 4.8979 5.1044 5.1044 6.0365 6.0365 6.2075 6.2075 7.3450 7.3450 7.4970 7.4970 8.1641 8.1641 9.0701 9.0701 9.3792 9.3792 k = 0.3800 0.4965 0.1238 ( 5370 PWs) bands (ev): -5.2390 -5.2390 -4.8210 -4.8210 -4.7866 -4.7866 -3.6075 -3.6075 -3.4574 -3.4574 -3.3111 -3.3111 -3.0177 -3.0177 -1.3785 -1.3785 -1.3587 -1.3587 0.7282 0.7282 1.3715 1.3715 1.4239 1.4239 2.0340 2.0340 2.4396 2.4396 2.6342 2.6342 2.8710 2.8710 3.5075 3.5075 3.7650 3.7650 4.4895 4.4895 4.6519 4.6519 4.9294 4.9294 5.1234 5.1234 5.9412 5.9412 6.1237 6.1237 7.4222 7.4222 7.5589 7.5589 8.1966 8.1966 9.0811 9.0811 9.3255 9.3255 k = 0.3733 0.5081 0.1238 ( 5380 PWs) bands (ev): -5.2198 -5.2198 -4.8024 -4.8024 -4.7714 -4.7714 -3.5890 -3.5890 -3.4557 -3.4557 -3.3026 -3.3026 -3.0616 -3.0616 -1.3958 -1.3958 -1.3729 -1.3729 0.7732 0.7732 1.3232 1.3232 1.3633 1.3633 2.0725 2.0725 2.4122 2.4122 2.6168 2.6168 2.9041 2.9041 3.4134 3.4134 3.6638 3.6638 4.5627 4.5627 4.7052 4.7052 4.9629 4.9629 5.1463 5.1463 5.8369 5.8369 6.0277 6.0277 7.4982 7.4982 7.6307 7.6307 8.2338 8.2338 9.0878 9.0878 9.2625 9.2625 k = 0.3667 0.5196 0.1238 ( 5392 PWs) bands (ev): -5.2017 -5.2017 -4.7852 -4.7852 -4.7580 -4.7580 -3.5708 -3.5708 -3.4560 -3.4560 -3.2942 -3.2942 -3.1037 -3.1037 -1.4127 -1.4127 -1.3836 -1.3836 0.8203 0.8203 1.2755 1.2755 1.3080 1.3080 2.1121 2.1121 2.3869 2.3869 2.6038 2.6038 2.9401 2.9401 3.3294 3.3294 3.5657 3.5657 4.6301 4.6301 4.7649 4.7649 4.9984 4.9984 5.1711 5.1711 5.7298 5.7298 5.9244 5.9244 7.5686 7.5686 7.7041 7.7041 8.2761 8.2761 9.0859 9.0859 9.2044 9.2044 k = 0.3600 0.5312 0.1238 ( 5386 PWs) bands (ev): -5.1852 -5.1852 -4.7696 -4.7696 -4.7468 -4.7468 -3.5531 -3.5531 -3.4583 -3.4583 -3.2855 -3.2855 -3.1428 -3.1428 -1.4280 -1.4280 -1.3920 -1.3920 0.8694 0.8694 1.2283 1.2283 1.2589 1.2589 2.1524 2.1524 2.3642 2.3642 2.5931 2.5931 2.9778 2.9778 3.2584 3.2584 3.4727 3.4727 4.6917 4.6917 4.8291 4.8291 5.0352 5.0352 5.1945 5.1945 5.6260 5.6260 5.8181 5.8181 7.6309 7.6309 7.7716 7.7716 8.3226 8.3226 9.0645 9.0645 9.1691 9.1691 k = 0.3533 0.5427 0.1238 ( 5378 PWs) bands (ev): -5.1710 -5.1710 -4.7563 -4.7563 -4.7381 -4.7381 -3.5362 -3.5362 -3.4629 -3.4629 -3.2766 -3.2766 -3.1775 -3.1775 -1.4406 -1.4406 -1.3983 -1.3983 0.9204 0.9204 1.1828 1.1828 1.2159 1.2159 2.1923 2.1923 2.3441 2.3441 2.5824 2.5824 3.0157 3.0157 3.2040 3.2040 3.3868 3.3868 4.7483 4.7483 4.8942 4.8942 5.0720 5.0720 5.2116 5.2116 5.5337 5.5337 5.7134 5.7134 7.6833 7.6833 7.8268 7.8268 8.3709 8.3709 9.0265 9.0265 9.1606 9.1606 k = 0.3467 0.5543 0.1238 ( 5378 PWs) bands (ev): -5.1598 -5.1598 -4.7458 -4.7458 -4.7321 -4.7321 -3.5202 -3.5202 -3.4699 -3.4699 -3.2672 -3.2672 -3.2068 -3.2068 -1.4501 -1.4501 -1.4028 -1.4028 0.9728 0.9728 1.1410 1.1410 1.1779 1.1779 2.2299 2.2299 2.3264 2.3264 2.5706 2.5706 3.0504 3.0504 3.1706 3.1706 3.3104 3.3104 4.8001 4.8001 4.9537 4.9537 5.1051 5.1051 5.2148 5.2148 5.4653 5.4653 5.6172 5.6172 7.7241 7.7241 7.8653 7.8653 8.4159 8.4159 8.9917 8.9917 9.1644 9.1644 k = 0.3400 0.5658 0.1238 ( 5378 PWs) bands (ev): -5.1523 -5.1523 -4.7391 -4.7391 -4.7287 -4.7287 -3.5052 -3.5052 -3.4793 -3.4793 -3.2571 -3.2571 -3.2296 -3.2296 -1.4559 -1.4559 -1.4056 -1.4056 1.0253 1.0253 1.1045 1.1045 1.1453 1.1453 2.2613 2.2613 2.3113 2.3113 2.5594 2.5594 3.0743 3.0743 3.1634 3.1634 3.2484 3.2484 4.8441 4.8441 4.9950 4.9950 5.1257 5.1257 5.2077 5.2077 5.4277 5.4277 5.5452 5.5452 7.7514 7.7514 7.8856 7.8856 8.4495 8.4495 8.9705 8.9705 9.1736 9.1736 k = 0.3333 0.5774 0.1238 ( 5382 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4915 -3.4915 -3.4912 -3.4912 -3.2481 -3.2481 -3.2431 -3.2431 -1.4579 -1.4579 -1.4065 -1.4065 1.0618 1.0618 1.0815 1.0815 1.1261 1.1261 2.2759 2.2759 2.3036 2.3036 2.5540 2.5540 3.0818 3.0818 3.1710 3.1710 3.2182 3.2182 4.8662 4.8662 5.0036 5.0036 5.1338 5.1338 5.2044 5.2044 5.4129 5.4129 5.5207 5.5207 7.7616 7.7616 7.8908 7.8908 8.4625 8.4625 8.9643 8.9643 9.1809 9.1809 k = 0.3333 0.5774 0.1238 ( 5382 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4915 -3.4915 -3.4912 -3.4912 -3.2481 -3.2481 -3.2431 -3.2431 -1.4579 -1.4579 -1.4065 -1.4065 1.0618 1.0618 1.0815 1.0815 1.1261 1.1261 2.2759 2.2759 2.3036 2.3036 2.5540 2.5540 3.0818 3.0818 3.1710 3.1710 3.2182 3.2182 4.8662 4.8662 5.0036 5.0036 5.1338 5.1338 5.2044 5.2044 5.4129 5.4129 5.5207 5.5207 7.7616 7.7616 7.8908 7.8908 8.4625 8.4625 8.9643 8.9643 9.1809 9.1809 k = 0.3267 0.5658 0.1238 ( 5374 PWs) bands (ev): -5.1526 -5.1526 -4.7388 -4.7388 -4.7290 -4.7290 -3.5060 -3.5060 -3.4786 -3.4786 -3.2539 -3.2539 -3.2326 -3.2326 -1.4559 -1.4559 -1.4055 -1.4055 1.0425 1.0425 1.0746 1.0746 1.1580 1.1580 2.2654 2.2654 2.3055 2.3055 2.5616 2.5616 3.0744 3.0744 3.1690 3.1690 3.2421 3.2421 4.8353 4.8353 5.0129 5.0129 5.1080 5.1080 5.2194 5.2194 5.4335 5.4335 5.5364 5.5364 7.7499 7.7499 7.8884 7.8884 8.4486 8.4486 8.9684 8.9684 9.1829 9.1829 k = 0.3200 0.5543 0.1238 ( 5382 PWs) bands (ev): -5.1624 -5.1624 -4.7439 -4.7439 -4.7339 -4.7339 -3.5231 -3.5231 -3.4668 -3.4668 -3.2541 -3.2541 -3.2183 -3.2183 -1.4499 -1.4499 -1.4023 -1.4023 1.0213 1.0213 1.0560 1.0560 1.2148 1.2148 2.2456 2.2456 2.2995 2.2995 2.5853 2.5853 3.0579 3.0579 3.1858 3.1858 3.2841 3.2841 4.7612 4.7612 5.0062 5.0062 5.0753 5.0753 5.2582 5.2582 5.4861 5.4861 5.5707 5.5707 7.7150 7.7150 7.8842 7.8842 8.4090 8.4090 8.9761 8.9761 9.2044 9.2044 k = 0.3133 0.5427 0.1238 ( 5378 PWs) bands (ev): -5.1797 -5.1797 -4.7515 -4.7515 -4.7426 -4.7426 -3.5428 -3.5428 -3.4560 -3.4560 -3.2465 -3.2465 -3.2020 -3.2020 -1.4401 -1.4401 -1.3967 -1.3967 1.0039 1.0039 1.0403 1.0403 1.2761 1.2761 2.2218 2.2218 2.2852 2.2852 2.6226 2.6226 3.0455 3.0455 3.2197 3.2197 3.3303 3.3303 4.6724 4.6724 4.9252 4.9252 5.1097 5.1097 5.3032 5.3032 5.5538 5.5538 5.6140 5.6140 7.6622 7.6622 7.8779 7.8779 8.3511 8.3511 8.9824 8.9824 9.2440 9.2440 k = 0.3067 0.5312 0.1238 ( 5390 PWs) bands (ev): -5.2051 -5.2051 -4.7632 -4.7632 -4.7529 -4.7529 -3.5650 -3.5650 -3.4466 -3.4466 -3.2313 -3.2313 -3.1835 -3.1835 -1.4267 -1.4267 -1.3883 -1.3883 0.9898 0.9898 1.0299 1.0299 1.3397 1.3397 2.1958 2.1958 2.2674 2.2674 2.6687 2.6687 3.0437 3.0437 3.2646 3.2646 3.3778 3.3778 4.5804 4.5804 4.8313 4.8313 5.1555 5.1555 5.3497 5.3497 5.6253 5.6253 5.6654 5.6654 7.5985 7.5985 7.8666 7.8666 8.2839 8.2839 8.9842 8.9842 9.2963 9.2963 k = 0.3000 0.5196 0.1238 ( 5386 PWs) bands (ev): -5.2384 -5.2384 -4.7816 -4.7816 -4.7621 -4.7621 -3.5896 -3.5896 -3.4390 -3.4390 -3.2083 -3.2083 -3.1626 -3.1626 -1.4099 -1.4099 -1.3768 -1.3768 0.9789 0.9789 1.0254 1.0254 1.4049 1.4049 2.1700 2.1700 2.2494 2.2494 2.7205 2.7205 3.0540 3.0540 3.3173 3.3173 3.4255 3.4255 4.4897 4.4897 4.7374 4.7374 5.2029 5.2029 5.3966 5.3966 5.6883 5.6883 5.7310 5.7310 7.5293 7.5293 7.8473 7.8473 8.2150 8.2150 8.9808 8.9808 9.3572 9.3572 k = 0.2933 0.5081 0.1238 ( 5390 PWs) bands (ev): -5.2793 -5.2793 -4.8060 -4.8060 -4.7708 -4.7708 -3.6165 -3.6165 -3.4337 -3.4337 -3.1778 -3.1778 -3.1393 -3.1393 -1.3902 -1.3902 -1.3619 -1.3619 0.9712 0.9712 1.0266 1.0266 1.4716 1.4716 2.1467 2.1467 2.2333 2.2333 2.7760 2.7760 3.0760 3.0760 3.3756 3.3756 3.4725 3.4725 4.4025 4.4025 4.6468 4.6468 5.2500 5.2500 5.4436 5.4436 5.7404 5.7404 5.8096 5.8096 7.4590 7.4590 7.8176 7.8176 8.1504 8.1504 8.9723 8.9723 9.4232 9.4232 k = 0.2867 0.4965 0.1238 ( 5382 PWs) bands (ev): -5.3270 -5.3270 -4.8356 -4.8356 -4.7796 -4.7796 -3.6457 -3.6457 -3.4310 -3.4310 -3.1401 -3.1401 -3.1136 -3.1136 -1.3680 -1.3680 -1.3432 -1.3432 0.9670 0.9670 1.0328 1.0328 1.5393 1.5393 2.1275 2.1275 2.2209 2.2209 2.8340 2.8340 3.1087 3.1087 3.4368 3.4368 3.5189 3.5189 4.3202 4.3202 4.5622 4.5622 5.2961 5.2961 5.4904 5.4904 5.7876 5.7876 5.8922 5.8922 7.3911 7.3911 7.7759 7.7759 8.0944 8.0944 8.9595 8.9595 9.4912 9.4912 k = 0.2800 0.4850 0.1238 ( 5362 PWs) bands (ev): -5.3805 -5.3805 -4.8699 -4.8699 -4.7893 -4.7893 -3.6771 -3.6771 -3.4311 -3.4311 -3.0962 -3.0962 -3.0853 -3.0853 -1.3435 -1.3435 -1.3208 -1.3208 0.9667 0.9667 1.0435 1.0435 1.6079 1.6079 2.1139 2.1139 2.2136 2.2136 2.8936 2.8936 3.1508 3.1508 3.4952 3.4952 3.5675 3.5675 4.2442 4.2442 4.4857 4.4857 5.3408 5.3408 5.5368 5.5368 5.8305 5.8305 5.9755 5.9755 7.3286 7.3286 7.7232 7.7232 8.0481 8.0481 8.9429 8.9429 9.5581 9.5581 k = 0.2733 0.4734 0.1238 ( 5360 PWs) bands (ev): -5.4389 -5.4389 -4.9086 -4.9086 -4.8001 -4.8001 -3.7105 -3.7105 -3.4338 -3.4338 -3.0576 -3.0576 -3.0438 -3.0438 -1.3167 -1.3167 -1.2948 -1.2948 0.9706 0.9706 1.0581 1.0581 1.6770 1.6770 2.1068 2.1068 2.2128 2.2128 2.9543 2.9543 3.2007 3.2007 3.5406 3.5406 3.6257 3.6257 4.1754 4.1754 4.4205 4.4205 5.3838 5.3838 5.5828 5.5828 5.8678 5.8678 6.0576 6.0576 7.2744 7.2744 7.6628 7.6628 8.0098 8.0098 8.9231 8.9231 9.6208 9.6208 k = 0.2667 0.4619 0.1238 ( 5360 PWs) bands (ev): -5.5012 -5.5012 -4.9511 -4.9511 -4.8125 -4.8125 -3.7459 -3.7459 -3.4392 -3.4392 -3.0263 -3.0263 -2.9881 -2.9881 -1.2876 -1.2876 -1.2655 -1.2655 0.9789 0.9789 1.0762 1.0762 1.7462 1.7462 2.1069 2.1069 2.2196 2.2196 3.0155 3.0155 3.2571 3.2571 3.5672 3.5672 3.6962 3.6962 4.1144 4.1144 4.3698 4.3698 5.4249 5.4249 5.6278 5.6278 5.8977 5.8977 6.1370 6.1370 7.2316 7.2316 7.5994 7.5994 7.9767 7.9767 8.9005 8.9005 9.6757 9.6757 k = 0.2600 0.4503 0.1238 ( 5356 PWs) bands (ev): -5.5665 -5.5665 -4.9971 -4.9971 -4.8268 -4.8268 -3.7830 -3.7830 -3.4471 -3.4471 -2.9943 -2.9943 -2.9272 -2.9272 -1.2561 -1.2561 -1.2333 -1.2333 0.9919 0.9919 1.0974 1.0974 1.8150 1.8150 2.1149 2.1149 2.2345 2.2345 3.0766 3.0766 3.3182 3.3182 3.5775 3.5775 3.7736 3.7736 4.0620 4.0620 4.3371 4.3371 5.4640 5.4640 5.6716 5.6716 5.9183 5.9183 6.2121 6.2121 7.2025 7.2025 7.5375 7.5375 7.9464 7.9464 8.8755 8.8755 9.7186 9.7186 k = 0.2533 0.4388 0.1238 ( 5350 PWs) bands (ev): -5.6341 -5.6341 -5.0459 -5.0459 -4.8433 -4.8433 -3.8218 -3.8218 -3.4573 -3.4573 -2.9620 -2.9620 -2.8620 -2.8620 -1.2224 -1.2224 -1.1983 -1.1983 1.0097 1.0097 1.1217 1.1217 1.8829 1.8829 2.1314 2.1314 2.2582 2.2582 3.1369 3.1369 3.3810 3.3810 3.5759 3.5759 3.8514 3.8514 4.0216 4.0216 4.3244 4.3244 5.5009 5.5009 5.7135 5.7135 5.9285 5.9285 6.2808 6.2808 7.1895 7.1895 7.4812 7.4812 7.9172 7.9172 8.8484 8.8484 9.7451 9.7451 k = 0.2467 0.4272 0.1238 ( 5358 PWs) bands (ev): -5.7033 -5.7033 -5.0972 -5.0972 -4.8619 -4.8619 -3.8620 -3.8620 -3.4696 -3.4696 -2.9298 -2.9298 -2.7931 -2.7931 -1.1871 -1.1871 -1.1602 -1.1602 1.0326 1.0326 1.1489 1.1489 1.9493 1.9493 2.1566 2.1566 2.2907 2.2907 3.1953 3.1953 3.4373 3.4373 3.5728 3.5728 3.9074 3.9074 4.0144 4.0144 4.3309 4.3309 5.5354 5.5354 5.7525 5.7525 5.9282 5.9282 6.3403 6.3403 7.1934 7.1934 7.4345 7.4345 7.8881 7.8881 8.8194 8.8194 9.7511 9.7511 k = 0.2400 0.4157 0.1238 ( 5350 PWs) bands (ev): -5.7735 -5.7735 -5.1506 -5.1506 -4.8828 -4.8828 -3.9034 -3.9034 -3.4838 -3.4838 -2.8983 -2.8983 -2.7209 -2.7209 -1.1506 -1.1506 -1.1188 -1.1188 1.0606 1.0606 1.1791 1.1791 2.0136 2.0136 2.1910 2.1910 2.3319 2.3319 3.2502 3.2502 3.4647 3.4647 3.5936 3.5936 3.9084 3.9084 4.0747 4.0747 4.3537 4.3537 5.5673 5.5673 5.7859 5.7859 5.9204 5.9204 6.3878 6.3878 7.2142 7.2142 7.4012 7.4012 7.8585 7.8585 8.7888 8.7888 9.7350 9.7350 k = 0.2333 0.4041 0.1238 ( 5340 PWs) bands (ev): -5.8442 -5.8442 -5.2054 -5.2054 -4.9060 -4.9060 -3.9460 -3.9460 -3.4999 -3.4999 -2.8680 -2.8680 -2.6459 -2.6459 -1.1132 -1.1132 -1.0739 -1.0739 1.0938 1.0938 1.2126 1.2126 2.0759 2.0759 2.2342 2.2342 2.3812 2.3812 3.2987 3.2987 3.4563 3.4563 3.6487 3.6487 3.8960 3.8960 4.1635 4.1635 4.3893 4.3893 5.5961 5.5961 5.8071 5.8071 5.9133 5.9133 6.4203 6.4203 7.2504 7.2504 7.3847 7.3847 7.8283 7.8283 8.7568 8.7568 9.6979 9.6979 k = 0.2267 0.3926 0.1238 ( 5336 PWs) bands (ev): -5.9151 -5.9151 -5.2615 -5.2615 -4.9313 -4.9313 -3.9894 -3.9894 -3.5175 -3.5175 -2.8394 -2.8394 -2.5687 -2.5687 -1.0751 -1.0751 -1.0258 -1.0258 1.1322 1.1322 1.2497 1.2497 2.1368 2.1368 2.2853 2.2853 2.4381 2.4381 3.3341 3.3341 3.4407 3.4407 3.7146 3.7146 3.8954 3.8954 4.2601 4.2601 4.4345 4.4345 5.6207 5.6207 5.8055 5.8055 5.9202 5.9202 6.4363 6.4363 7.2997 7.2997 7.3873 7.3873 7.7972 7.7972 8.7237 8.7237 9.6434 9.6434 k = 0.2200 0.3811 0.1238 ( 5346 PWs) bands (ev): -5.9857 -5.9857 -5.3183 -5.3183 -4.9586 -4.9586 -4.0336 -4.0336 -3.5366 -3.5366 -2.8130 -2.8130 -2.4897 -2.4897 -1.0362 -1.0362 -0.9746 -0.9746 1.1757 1.1757 1.2907 1.2907 2.1974 2.1974 2.3428 2.3428 2.5015 2.5015 3.3425 3.3425 3.4428 3.4428 3.7759 3.7759 3.9175 3.9175 4.3601 4.3601 4.4875 4.4875 5.6383 5.6383 5.7859 5.7859 5.9411 5.9411 6.4361 6.4361 7.3594 7.3594 7.4091 7.4091 7.7656 7.7656 8.6896 8.6896 9.5759 9.5759 k = 0.2133 0.3695 0.1238 ( 5334 PWs) bands (ev): -6.0559 -6.0559 -5.3756 -5.3756 -4.9877 -4.9877 -4.0782 -4.0782 -3.5569 -3.5569 -2.7893 -2.7893 -2.4092 -2.4092 -0.9963 -0.9963 -0.9207 -0.9207 1.2238 1.2238 1.3362 1.3362 2.2591 2.2591 2.4050 2.4050 2.5704 2.5704 3.3262 3.3262 3.4648 3.4648 3.8257 3.8257 3.9670 3.9670 4.4610 4.4610 4.5479 4.5479 5.6425 5.6425 5.7662 5.7662 5.9661 5.9661 6.4224 6.4224 7.4248 7.4248 7.4498 7.4498 7.7337 7.7337 8.6548 8.6548 9.4996 9.4996 k = 0.2067 0.3580 0.1238 ( 5346 PWs) bands (ev): -6.1252 -6.1252 -5.4331 -5.4331 -5.0185 -5.0185 -4.1232 -4.1232 -3.5785 -3.5785 -2.7686 -2.7686 -2.3279 -2.3279 -0.9552 -0.9552 -0.8644 -0.8644 1.2764 1.2764 1.3865 1.3865 2.3226 2.3226 2.4704 2.4704 2.6438 2.6438 3.3038 3.3038 3.4925 3.4925 3.8700 3.8700 4.0355 4.0355 4.5579 4.5579 4.6190 4.6190 5.6258 5.6258 5.7608 5.7608 5.9898 5.9898 6.3996 6.3996 7.4858 7.4858 7.5124 7.5124 7.7024 7.7024 8.6195 8.6195 9.4176 9.4176 k = 0.2000 0.3464 0.1238 ( 5350 PWs) bands (ev): -6.1936 -6.1936 -5.4905 -5.4905 -5.0507 -5.0507 -4.1683 -4.1683 -3.6010 -3.6010 -2.7512 -2.7512 -2.2462 -2.2462 -0.9130 -0.9130 -0.8058 -0.8058 1.3329 1.3329 1.4423 1.4423 2.3883 2.3883 2.5378 2.5378 2.7206 2.7206 3.2839 3.2839 3.5220 3.5220 3.9163 3.9163 4.1114 4.1114 4.6424 4.6424 4.7081 4.7081 5.5928 5.5928 5.7690 5.7690 6.0092 6.0092 6.3724 6.3724 7.5422 7.5422 7.5874 7.5874 7.6753 7.6753 8.5838 8.5838 9.3321 9.3321 k = 0.1933 0.3349 0.1238 ( 5342 PWs) bands (ev): -6.2608 -6.2608 -5.5475 -5.5475 -5.0841 -5.0841 -4.2134 -4.2134 -3.6244 -3.6244 -2.7372 -2.7372 -2.1645 -2.1645 -0.8697 -0.8697 -0.7452 -0.7452 1.3930 1.3930 1.5038 1.5038 2.4561 2.4561 2.6059 2.6059 2.7999 2.7999 3.2707 3.2707 3.5543 3.5543 3.9670 3.9670 4.1881 4.1881 4.7173 4.7173 4.8117 4.8117 5.5537 5.5537 5.7832 5.7832 6.0217 6.0217 6.3461 6.3461 7.5837 7.5837 7.6463 7.6463 7.6851 7.6851 8.5479 8.5479 9.2445 9.2445 k = 0.1867 0.3233 0.1238 ( 5346 PWs) bands (ev): -6.3266 -6.3266 -5.6039 -5.6039 -5.1184 -5.1184 -4.2583 -4.2583 -3.6485 -3.6485 -2.7266 -2.7266 -2.0834 -2.0834 -0.8252 -0.8252 -0.6828 -0.6828 1.4564 1.4564 1.5710 1.5710 2.5256 2.5256 2.6740 2.6740 2.8804 2.8804 3.2671 3.2671 3.5916 3.5916 4.0215 4.0215 4.2618 4.2618 4.7902 4.7902 4.9209 4.9209 5.5152 5.5152 5.7993 5.7993 6.0249 6.0249 6.3253 6.3253 7.5762 7.5762 7.6898 7.6898 7.7595 7.7595 8.5119 8.5119 9.1568 9.1568 k = 0.1800 0.3118 0.1238 ( 5330 PWs) bands (ev): -6.3910 -6.3910 -5.6595 -5.6595 -5.1534 -5.1534 -4.3028 -4.3028 -3.6732 -3.6732 -2.7196 -2.7196 -2.0035 -2.0035 -0.7799 -0.7799 -0.6185 -0.6185 1.5231 1.5231 1.6438 1.6438 2.5962 2.5962 2.7412 2.7412 2.9602 2.9602 3.2766 3.2766 3.6353 3.6353 4.0788 4.0788 4.3299 4.3299 4.8633 4.8633 5.0320 5.0320 5.4819 5.4819 5.8155 5.8155 6.0177 6.0177 6.3138 6.3138 7.5476 7.5476 7.7432 7.7432 7.8387 7.8387 8.4758 8.4758 9.0714 9.0714 k = 0.1733 0.3002 0.1238 ( 5326 PWs) bands (ev): -6.4537 -6.4537 -5.7141 -5.7141 -5.1889 -5.1889 -4.3468 -4.3468 -3.6983 -3.6983 -2.7159 -2.7159 -1.9252 -1.9252 -0.7338 -0.7338 -0.5526 -0.5526 1.5933 1.5933 1.7216 1.7216 2.6670 2.6670 2.8070 2.8070 3.0370 3.0370 3.3028 3.3028 3.6865 3.6865 4.1380 4.1380 4.3903 4.3903 4.9354 4.9354 5.1428 5.1428 5.4584 5.4584 5.8308 5.8308 6.0017 6.0017 6.3122 6.3122 7.5154 7.5154 7.7917 7.7917 7.9135 7.9135 8.4393 8.4393 8.9915 8.9915 k = 0.1667 0.2887 0.1238 ( 5334 PWs) bands (ev): -6.5146 -6.5146 -5.7677 -5.7677 -5.2246 -5.2246 -4.3902 -4.3902 -3.7238 -3.7238 -2.7154 -2.7154 -1.8491 -1.8491 -0.6874 -0.6874 -0.4849 -0.4849 1.6671 1.6671 1.8037 1.8037 2.7371 2.7371 2.8717 2.8717 3.1082 3.1082 3.3489 3.3489 3.7456 3.7456 4.1982 4.1982 4.4415 4.4415 5.0032 5.0032 5.2505 5.2505 5.4509 5.4509 5.8438 5.8438 5.9820 5.9820 6.3189 6.3189 7.4824 7.4824 7.8297 7.8297 7.9788 7.9788 8.4017 8.4017 8.9220 8.9220 k = 0.1600 0.2771 0.1238 ( 5330 PWs) bands (ev): -6.5737 -6.5737 -5.8199 -5.8199 -5.2604 -5.2604 -4.4327 -4.4327 -3.7494 -3.7494 -2.7179 -2.7179 -1.7759 -1.7759 -0.6410 -0.6410 -0.4155 -0.4155 1.7449 1.7449 1.8894 1.8894 2.8058 2.8058 2.9361 2.9361 3.1735 3.1735 3.4156 3.4156 3.8121 3.8121 4.2591 4.2591 4.4829 4.4829 5.0611 5.0611 5.3486 5.3486 5.4694 5.4694 5.8516 5.8516 5.9671 5.9671 6.3318 6.3318 7.4494 7.4494 7.8539 7.8539 8.0287 8.0287 8.3612 8.3612 8.8698 8.8698 k = 0.1533 0.2656 0.1238 ( 5330 PWs) bands (ev): -6.6309 -6.6309 -5.8707 -5.8707 -5.2960 -5.2960 -4.4743 -4.4743 -3.7751 -3.7751 -2.7230 -2.7230 -1.7059 -1.7059 -0.5950 -0.5950 -0.3442 -0.3442 1.8267 1.8267 1.9780 1.9780 2.8725 2.8725 3.0020 3.0020 3.2354 3.2354 3.4993 3.4993 3.8853 3.8853 4.3200 4.3200 4.5145 4.5145 5.1042 5.1042 5.4279 5.4279 5.5232 5.5232 5.8522 5.8522 5.9660 5.9660 6.3489 6.3489 7.4170 7.4170 7.8624 7.8624 8.0572 8.0572 8.3157 8.3157 8.8425 8.8425 k = 0.1467 0.2540 0.1238 ( 5334 PWs) bands (ev): -6.6861 -6.6861 -5.9200 -5.9200 -5.3312 -5.3312 -4.5149 -4.5149 -3.8007 -3.8007 -2.7305 -2.7305 -1.6398 -1.6398 -0.5500 -0.5500 -0.2710 -0.2710 1.9127 1.9127 2.0688 2.0688 2.9379 2.9379 3.0706 3.0706 3.2967 3.2967 3.5955 3.5955 3.9639 3.9639 4.3798 4.3798 4.5382 4.5382 5.1327 5.1327 5.4945 5.4945 5.5952 5.5952 5.8533 5.8533 5.9826 5.9826 6.3694 6.3694 7.3852 7.3852 7.8547 7.8547 8.0596 8.0596 8.2651 8.2651 8.8441 8.8441 k = 0.1400 0.2425 0.1238 ( 5330 PWs) bands (ev): -6.7392 -6.7392 -5.9677 -5.9677 -5.3659 -5.3659 -4.5544 -4.5544 -3.8261 -3.8261 -2.7400 -2.7400 -1.5778 -1.5778 -0.5062 -0.5062 -0.1959 -0.1959 2.0030 2.0030 2.1612 2.1612 3.0034 3.0034 3.1428 3.1428 3.3591 3.3591 3.7003 3.7003 4.0459 4.0459 4.4353 4.4353 4.5593 4.5593 5.1516 5.1516 5.5547 5.5547 5.6555 5.6555 5.8723 5.8723 6.0170 6.0170 6.3929 6.3929 7.3543 7.3543 7.8320 7.8320 8.0331 8.0331 8.2145 8.2145 8.8714 8.8714 k = 0.1333 0.2309 0.1238 ( 5318 PWs) bands (ev): -6.7901 -6.7901 -6.0137 -6.0137 -5.3999 -5.3999 -4.5926 -4.5926 -3.8511 -3.8511 -2.7512 -2.7512 -1.5204 -1.5204 -0.4642 -0.4642 -0.1189 -0.1189 2.0974 2.0974 2.2546 2.2546 3.0707 3.0707 3.2187 3.2187 3.4230 3.4230 3.8112 3.8112 4.1291 4.1291 4.4764 4.4764 4.5905 4.5905 5.1660 5.1660 5.5923 5.5923 5.7036 5.7036 5.9152 5.9152 6.0720 6.0720 6.4198 6.4198 7.3244 7.3244 7.7967 7.7967 7.9781 7.9781 8.1709 8.1709 8.9156 8.9156 k = 0.1267 0.2194 0.1238 ( 5314 PWs) bands (ev): -6.8388 -6.8388 -6.0578 -6.0578 -5.4331 -5.4331 -4.6294 -4.6294 -3.8757 -3.8757 -2.7637 -2.7637 -1.4677 -1.4677 -0.4244 -0.4244 -0.0400 -0.0400 2.1958 2.1958 2.3489 2.3489 3.1410 3.1410 3.2980 3.2980 3.4883 3.4883 3.9264 3.9264 4.2110 4.2110 4.4937 4.4937 4.6452 4.6452 5.1792 5.1792 5.5964 5.5964 5.7568 5.7568 5.9673 5.9673 6.1495 6.1495 6.4507 6.4507 7.2956 7.2956 7.7510 7.7510 7.9022 7.9022 8.1351 8.1351 8.9659 8.9659 k = 0.1200 0.2078 0.1238 ( 5322 PWs) bands (ev): -6.8853 -6.8853 -6.1001 -6.1001 -5.4653 -5.4653 -4.6648 -4.6648 -3.8997 -3.8997 -2.7774 -2.7774 -1.4198 -1.4198 -0.3870 -0.3870 0.0406 0.0406 2.2979 2.2979 2.4440 2.4440 3.2146 3.2146 3.3808 3.3808 3.5551 3.5551 4.0437 4.0437 4.2891 4.2891 4.4956 4.4956 4.7190 4.7190 5.1924 5.1924 5.5827 5.5827 5.8089 5.8089 6.0195 6.0195 6.2435 6.2435 6.4861 6.4861 7.2676 7.2676 7.6964 7.6964 7.8170 7.8170 8.1041 8.1041 9.0081 9.0081 k = 0.1133 0.1963 0.1238 ( 5326 PWs) bands (ev): -6.9295 -6.9295 -6.1403 -6.1403 -5.4963 -5.4963 -4.6987 -4.6987 -3.9231 -3.9231 -2.7917 -2.7917 -1.3768 -1.3768 -0.3523 -0.3523 0.1227 0.1227 2.4033 2.4033 2.5399 2.5399 3.2902 3.2902 3.4676 3.4676 3.6236 3.6236 4.1595 4.1595 4.3616 4.3616 4.4938 4.4938 4.8052 4.8052 5.2060 5.2060 5.5640 5.5640 5.8532 5.8532 6.0698 6.0698 6.3450 6.3450 6.5263 6.5263 7.2405 7.2405 7.6310 7.6310 7.7354 7.7354 8.0758 8.0758 9.0030 9.0031 k = 0.1067 0.1848 0.1238 ( 5324 PWs) bands (ev): -6.9713 -6.9713 -6.1786 -6.1786 -5.5262 -5.5262 -4.7310 -4.7310 -3.9456 -3.9456 -2.8066 -2.8066 -1.3385 -1.3385 -0.3205 -0.3205 0.2058 0.2058 2.5116 2.5116 2.6371 2.6371 3.3659 3.3659 3.5592 3.5592 3.6941 3.6941 4.2660 4.2660 4.4250 4.4250 4.5023 4.5023 4.9002 4.9002 5.2203 5.2203 5.5463 5.5463 5.8892 5.8892 6.1160 6.1160 6.4450 6.4450 6.5715 6.5715 7.2140 7.2140 7.5518 7.5518 7.6697 7.6697 8.0493 8.0493 8.9286 8.9286 k = 0.1000 0.1732 0.1238 ( 5328 PWs) bands (ev): -7.0107 -7.0107 -6.2148 -6.2148 -5.5546 -5.5546 -4.7617 -4.7617 -3.9673 -3.9673 -2.8217 -2.8217 -1.3048 -1.3048 -0.2917 -0.2917 0.2895 0.2895 2.6220 2.6220 2.7361 2.7361 3.4388 3.4388 3.6563 3.6563 3.7672 3.7672 4.3456 4.3456 4.4655 4.4655 4.5540 4.5540 5.0003 5.0003 5.2360 5.2360 5.5335 5.5335 5.9189 5.9189 6.1559 6.1559 6.5294 6.5294 6.6248 6.6248 7.1877 7.1877 7.4654 7.4654 7.6233 7.6233 8.0242 8.0242 8.8204 8.8204 k = 0.0933 0.1617 0.1238 ( 5336 PWs) bands (ev): -7.0478 -7.0478 -6.2489 -6.2489 -5.5817 -5.5817 -4.7906 -4.7906 -3.9880 -3.9880 -2.8367 -2.8367 -1.2753 -1.2753 -0.2658 -0.2658 0.3732 0.3732 2.7335 2.7335 2.8373 2.8373 3.5069 3.5069 3.7590 3.7590 3.8435 3.8435 4.3818 4.3818 4.4997 4.4997 4.6497 4.6497 5.0996 5.0996 5.2548 5.2548 5.5296 5.5296 5.9442 5.9442 6.1891 6.1891 6.5802 6.5802 6.6897 6.6897 7.1619 7.1619 7.3858 7.3858 7.5936 7.5936 8.0005 8.0005 8.6948 8.6948 k = 0.0867 0.1501 0.1238 ( 5338 PWs) bands (ev): -7.0824 -7.0824 -6.2808 -6.2808 -5.6072 -5.6072 -4.8178 -4.8178 -4.0076 -4.0076 -2.8516 -2.8516 -1.2497 -1.2497 -0.2429 -0.2429 0.4564 0.4564 2.8446 2.8446 2.9413 2.9413 3.5690 3.5690 3.8650 3.8650 3.9248 3.9248 4.3906 4.3906 4.5371 4.5371 4.7643 4.7643 5.1862 5.1862 5.2814 5.2814 5.5416 5.5416 5.9662 5.9662 6.2162 6.2162 6.5979 6.5979 6.7445 6.7445 7.1380 7.1380 7.3300 7.3300 7.5783 7.5783 7.9779 7.9779 8.5630 8.5630 k = 0.0800 0.1386 0.1238 ( 5336 PWs) bands (ev): -7.1145 -7.1145 -6.3104 -6.3104 -5.6311 -5.6311 -4.8431 -4.8431 -4.0260 -4.0260 -2.8660 -2.8660 -1.2277 -1.2277 -0.2227 -0.2227 0.5383 0.5383 2.9536 2.9536 3.0487 3.0487 3.6256 3.6256 3.9659 3.9659 4.0171 4.0171 4.3926 4.3926 4.5708 4.5708 4.8837 4.8837 5.2444 5.2444 5.3217 5.3217 5.5797 5.5797 5.9858 5.9858 6.2385 6.2385 6.5902 6.5902 6.7583 6.7583 7.1219 7.1219 7.3137 7.3137 7.5722 7.5722 7.9552 7.9552 8.4346 8.4346 k = 0.0733 0.1270 0.1238 ( 5336 PWs) bands (ev): -7.1441 -7.1441 -6.3379 -6.3379 -5.6533 -5.6533 -4.8666 -4.8666 -4.0433 -4.0433 -2.8799 -2.8799 -1.2090 -1.2090 -0.2053 -0.2053 0.6180 0.6180 3.0583 3.0583 3.1596 3.1596 3.6780 3.6780 4.0524 4.0524 4.1257 4.1257 4.3964 4.3964 4.5991 4.5991 4.9987 4.9987 5.2823 5.2823 5.3636 5.3636 5.6495 5.6495 6.0033 6.0033 6.2576 6.2576 6.5614 6.5614 6.7218 6.7218 7.1168 7.1168 7.3381 7.3381 7.5654 7.5654 7.9298 7.9298 8.3197 8.3197 k = 0.0667 0.1155 0.1238 ( 5324 PWs) bands (ev): -7.1713 -7.1713 -6.3630 -6.3630 -5.6738 -5.6738 -4.8882 -4.8882 -4.0593 -4.0593 -2.8930 -2.8930 -1.1931 -1.1931 -0.1903 -0.1903 0.6949 0.6949 3.1566 3.1566 3.2733 3.2733 3.7286 3.7286 4.1282 4.1282 4.2403 4.2403 4.4079 4.4079 4.6226 4.6226 5.0995 5.0995 5.3192 5.3192 5.4009 5.4009 5.7406 5.7406 6.0192 6.0192 6.2750 6.2750 6.5171 6.5171 6.6534 6.6534 7.1183 7.1183 7.3851 7.3851 7.5439 7.5439 7.8958 7.8958 8.2298 8.2298 k = 0.0600 0.1039 0.1238 ( 5320 PWs) bands (ev): -7.1959 -7.1959 -6.3858 -6.3858 -5.6925 -5.6925 -4.9078 -4.9078 -4.0739 -4.0739 -2.9052 -2.9052 -1.1799 -1.1799 -0.1775 -0.1775 0.7681 0.7681 3.2459 3.2459 3.3886 3.3886 3.7801 3.7801 4.1948 4.1948 4.3417 4.3417 4.4418 4.4418 4.6422 4.6422 5.1762 5.1762 5.3590 5.3590 5.4475 5.4475 5.8354 5.8354 6.0337 6.0337 6.2927 6.2927 6.4645 6.4645 6.5759 6.5759 7.1236 7.1236 7.4274 7.4274 7.4968 7.4968 7.8444 7.8444 8.1762 8.1762 k = 0.0533 0.0924 0.1238 ( 5312 PWs) bands (ev): -7.2179 -7.2179 -6.4063 -6.4063 -5.7094 -5.7094 -4.9255 -4.9255 -4.0871 -4.0871 -2.9165 -2.9165 -1.1688 -1.1688 -0.1668 -0.1668 0.8367 0.8367 3.3237 3.3237 3.5042 3.5042 3.8352 3.8352 4.2506 4.2506 4.3993 4.3993 4.5261 4.5261 4.6597 4.6597 5.2275 5.2275 5.3953 5.3953 5.5129 5.5129 5.9164 5.9164 6.0464 6.0464 6.3117 6.3117 6.4131 6.4131 6.5093 6.5093 7.1328 7.1328 7.4041 7.4041 7.4573 7.4573 7.7782 7.7782 8.1633 8.1633 k = 0.0467 0.0808 0.1238 ( 5316 PWs) bands (ev): -7.2374 -7.2374 -6.4244 -6.4244 -5.7244 -5.7244 -4.9411 -4.9411 -4.0989 -4.0989 -2.9266 -2.9266 -1.1598 -1.1598 -0.1580 -0.1580 0.8999 0.8999 3.3876 3.3876 3.6187 3.6187 3.8952 3.8952 4.2951 4.2951 4.4340 4.4340 4.6333 4.6333 4.6795 4.6795 5.2609 5.2609 5.4291 5.4291 5.5834 5.5834 5.9678 5.9678 6.0558 6.0558 6.3212 6.3212 6.3756 6.3756 6.4821 6.4821 7.1446 7.1446 7.3098 7.3098 7.4151 7.4151 7.7245 7.7245 8.1803 8.1803 k = 0.0400 0.0693 0.1238 ( 5312 PWs) bands (ev): -7.2543 -7.2543 -6.4402 -6.4402 -5.7374 -5.7374 -4.9547 -4.9547 -4.1092 -4.1092 -2.9356 -2.9356 -1.1524 -1.1524 -0.1508 -0.1508 0.9568 0.9568 3.4370 3.4370 3.7305 3.7305 3.9587 3.9587 4.3320 4.3320 4.4624 4.4624 4.6918 4.6918 4.7508 4.7508 5.2814 5.2814 5.4620 5.4620 5.6424 5.6424 5.9763 5.9763 6.0712 6.0712 6.3012 6.3012 6.3623 6.3623 6.5224 6.5224 7.1404 7.1404 7.2201 7.2201 7.3226 7.3226 7.6995 7.6995 8.2053 8.2053 k = 0.0333 0.0577 0.1238 ( 5316 PWs) bands (ev): -7.2686 -7.2686 -6.4535 -6.4535 -5.7485 -5.7485 -4.9662 -4.9662 -4.1180 -4.1180 -2.9433 -2.9433 -1.1466 -1.1466 -0.1450 -0.1450 1.0065 1.0065 3.4730 3.4730 3.8378 3.8378 4.0211 4.0211 4.3661 4.3661 4.4828 4.4828 4.7189 4.7189 4.8517 4.8517 5.2881 5.2881 5.4880 5.4880 5.6881 5.6881 5.9465 5.9465 6.1063 6.1063 6.2748 6.2748 6.3643 6.3643 6.6075 6.6075 7.0599 7.0599 7.1567 7.1567 7.2549 7.2549 7.6895 7.6895 8.2143 8.2143 k = 0.0267 0.0462 0.1238 ( 5320 PWs) bands (ev): -7.2804 -7.2804 -6.4645 -6.4645 -5.7576 -5.7576 -4.9757 -4.9757 -4.1252 -4.1252 -2.9497 -2.9497 -1.1421 -1.1421 -0.1405 -0.1405 1.0484 1.0484 3.4982 3.4982 3.9381 3.9381 4.0768 4.0768 4.3981 4.3981 4.4961 4.4961 4.7511 4.7511 4.9435 4.9435 5.2764 5.2764 5.4963 5.4963 5.7341 5.7341 5.9063 5.9063 6.1524 6.1524 6.2597 6.2597 6.3736 6.3736 6.7067 6.7067 6.9556 6.9556 7.0303 7.0303 7.2780 7.2780 7.6840 7.6840 8.1890 8.1890 k = 0.0200 0.0346 0.1238 ( 5316 PWs) bands (ev): -7.2895 -7.2895 -6.4730 -6.4730 -5.7647 -5.7647 -4.9831 -4.9831 -4.1309 -4.1309 -2.9547 -2.9547 -1.1387 -1.1387 -0.1371 -0.1371 1.0818 1.0818 3.5150 3.5150 4.0269 4.0269 4.1231 4.1231 4.4170 4.4170 4.5135 4.5135 4.7882 4.7882 5.0234 5.0234 5.2428 5.2428 5.4850 5.4850 5.7860 5.7860 5.8754 5.8754 6.2015 6.2015 6.2607 6.2607 6.3841 6.3841 6.7764 6.7764 6.8734 6.8734 6.9102 6.9102 7.3171 7.3171 7.6833 7.6833 8.1286 8.1286 k = 0.0133 0.0231 0.1238 ( 5318 PWs) bands (ev): -7.2960 -7.2960 -6.4791 -6.4791 -5.7698 -5.7698 -4.9884 -4.9884 -4.1349 -4.1349 -2.9583 -2.9583 -1.1364 -1.1364 -0.1348 -0.1348 1.1061 1.1061 3.5256 3.5256 4.0948 4.0948 4.1643 4.1643 4.4119 4.4119 4.5428 4.5428 4.8286 4.8286 5.0895 5.0895 5.1923 5.1923 5.4614 5.4614 5.8221 5.8221 5.8727 5.8727 6.2519 6.2519 6.2810 6.2810 6.3902 6.3902 6.6890 6.6890 6.8129 6.8129 6.9378 6.9378 7.3486 7.3486 7.6956 7.6956 8.0464 8.0464 k = 0.0067 0.0115 0.1238 ( 5302 PWs) bands (ev): -7.2999 -7.2999 -6.4827 -6.4827 -5.7729 -5.7729 -4.9915 -4.9915 -4.1373 -4.1373 -2.9605 -2.9605 -1.1350 -1.1350 -0.1335 -0.1335 1.1208 1.1208 3.5314 3.5314 4.1300 4.1300 4.2062 4.2062 4.3929 4.3929 4.5699 4.5699 4.8671 4.8671 5.1348 5.1348 5.1434 5.1434 5.4358 5.4358 5.8278 5.8278 5.8963 5.8963 6.2872 6.2872 6.3381 6.3381 6.3909 6.3909 6.5612 6.5612 6.7622 6.7622 7.0080 7.0080 7.3599 7.3599 7.7279 7.7279 7.9629 7.9629 k = 0.0000 0.0000 0.1238 ( 5290 PWs) bands (ev): -7.3012 -7.3012 -6.4839 -6.4839 -5.7739 -5.7739 -4.9926 -4.9926 -4.1381 -4.1381 -2.9612 -2.9612 -1.1346 -1.1346 -0.1330 -0.1330 1.1257 1.1257 3.5333 3.5333 4.1395 4.1395 4.2272 4.2272 4.3812 4.3812 4.5805 4.5805 4.8856 4.8856 5.1161 5.1161 5.1564 5.1564 5.4239 5.4239 5.8283 5.8283 5.9070 5.9070 6.2990 6.2990 6.3786 6.3786 6.4413 6.4413 6.4454 6.4454 6.7452 6.7452 7.0371 7.0371 7.3594 7.3594 7.7543 7.7543 7.9187 7.9187 k = 0.5000 0.2887 0.1238 ( 5344 PWs) bands (ev): -5.4759 -5.4759 -5.0562 -5.0562 -5.0004 -5.0004 -3.8161 -3.8161 -3.5573 -3.5573 -3.4134 -3.4134 -2.5836 -2.5836 -1.1002 -1.1002 -1.0747 -1.0747 0.3246 0.3246 1.6541 1.6541 2.0847 2.0847 2.4564 2.4564 2.6335 2.6335 3.0106 3.0106 3.4034 3.4034 3.9465 3.9465 4.3315 4.3315 4.3553 4.3553 4.6279 4.6279 4.9547 4.9547 4.9602 4.9602 5.8448 5.8448 6.6344 6.6344 6.8146 6.8146 7.2161 7.2161 7.9425 7.9425 8.7498 8.7498 8.7895 8.7895 k = 0.5000 0.2887 0.1114 ( 5364 PWs) bands (ev): -5.4759 -5.4759 -5.0563 -5.0563 -5.0004 -5.0004 -3.8162 -3.8162 -3.5567 -3.5567 -3.4141 -3.4141 -2.5831 -2.5831 -1.1126 -1.1126 -1.0624 -1.0624 0.3250 0.3250 1.6495 1.6495 2.0849 2.0849 2.4620 2.4620 2.6346 2.6346 3.0139 3.0139 3.4056 3.4056 3.9359 3.9359 4.2921 4.2921 4.3821 4.3821 4.6165 4.6165 4.9381 4.9381 5.0152 5.0152 5.8385 5.8385 6.6106 6.6106 6.8273 6.8273 7.2367 7.2367 7.9150 7.9150 8.7457 8.7457 8.7819 8.7819 k = 0.5000 0.2887 0.0991 ( 5366 PWs) bands (ev): -5.4759 -5.4759 -5.0563 -5.0563 -5.0003 -5.0003 -3.8163 -3.8163 -3.5551 -3.5551 -3.4162 -3.4162 -2.5819 -2.5819 -1.1323 -1.1323 -1.0431 -1.0431 0.3264 0.3264 1.6366 1.6366 2.0851 2.0851 2.4776 2.4776 2.6394 2.6394 3.0233 3.0233 3.4120 3.4120 3.9054 3.9054 4.2391 4.2391 4.3874 4.3874 4.6062 4.6062 4.9540 4.9540 5.0985 5.0985 5.8210 5.8210 6.5520 6.5520 6.8584 6.8584 7.2917 7.2917 7.8404 7.8404 8.7272 8.7272 8.7661 8.7661 k = 0.5000 0.2887 0.0867 ( 5370 PWs) bands (ev): -5.4759 -5.4759 -5.0565 -5.0565 -5.0002 -5.0002 -3.8166 -3.8166 -3.5524 -3.5524 -3.4195 -3.4195 -2.5799 -2.5799 -1.1521 -1.1521 -1.0238 -1.0238 0.3286 0.3286 1.6177 1.6177 2.0848 2.0848 2.4984 2.4984 2.6516 2.6516 3.0375 3.0375 3.4226 3.4226 3.8580 3.8580 4.1843 4.1843 4.3522 4.3522 4.6257 4.6257 4.9939 4.9939 5.1918 5.1918 5.7968 5.7968 6.4763 6.4763 6.9003 6.9003 7.3677 7.3677 7.7357 7.7357 8.6859 8.6859 8.7550 8.7550 k = 0.5000 0.2887 0.0743 ( 5370 PWs) bands (ev): -5.4759 -5.4759 -5.0566 -5.0566 -5.0000 -5.0000 -3.8169 -3.8169 -3.5488 -3.5488 -3.4238 -3.4238 -2.5774 -2.5774 -1.1708 -1.1708 -1.0059 -1.0059 0.3314 0.3314 1.5954 1.5954 2.0835 2.0835 2.5173 2.5173 2.6770 2.6770 3.0544 3.0544 3.4369 3.4369 3.7986 3.7986 4.1276 4.1276 4.2973 4.2973 4.6666 4.6666 5.0488 5.0488 5.2818 5.2818 5.7732 5.7732 6.3945 6.3945 6.9490 6.9490 7.4510 7.4510 7.6183 7.6183 8.6300 8.6300 8.7469 8.7469 k = 0.5000 0.2887 0.0619 ( 5370 PWs) bands (ev): -5.4759 -5.4759 -5.0568 -5.0568 -4.9998 -4.9998 -3.8172 -3.8172 -3.5446 -3.5446 -3.4290 -3.4290 -2.5747 -2.5747 -1.1876 -1.1876 -0.9898 -0.9898 0.3345 0.3345 1.5722 1.5722 2.0813 2.0813 2.5292 2.5292 2.7188 2.7188 3.0719 3.0719 3.4530 3.4530 3.7343 3.7343 4.0674 4.0674 4.2431 4.2431 4.7156 4.7156 5.1124 5.1124 5.3547 5.3547 5.7606 5.7606 6.3142 6.3142 7.0010 7.0010 7.4631 7.4631 7.5702 7.5702 8.5682 8.5682 8.7398 8.7398 k = 0.5000 0.2887 0.0495 ( 5350 PWs) bands (ev): -5.4759 -5.4759 -5.0569 -5.0569 -4.9996 -4.9996 -3.8176 -3.8176 -3.5400 -3.5400 -3.4345 -3.4345 -2.5719 -2.5719 -1.2021 -1.2021 -0.9761 -0.9761 0.3377 0.3377 1.5505 1.5505 2.0784 2.0784 2.5347 2.5347 2.7742 2.7742 3.0874 3.0874 3.4649 3.4649 3.6762 3.6762 4.0029 4.0029 4.1983 4.1983 4.7658 4.7658 5.1790 5.1790 5.3974 5.3974 5.7679 5.7679 6.2432 6.2432 7.0521 7.0521 7.3477 7.3477 7.6502 7.6502 8.5069 8.5069 8.7337 8.7337 k = 0.5000 0.2887 0.0371 ( 5350 PWs) bands (ev): -5.4759 -5.4759 -5.0571 -5.0571 -4.9995 -4.9995 -3.8179 -3.8179 -3.5354 -3.5354 -3.4398 -3.4398 -2.5695 -2.5695 -1.2139 -1.2139 -0.9651 -0.9651 0.3406 0.3406 1.5319 1.5319 2.0755 2.0755 2.5365 2.5365 2.8374 2.8374 3.0983 3.0983 3.4580 3.4580 3.6443 3.6443 3.9361 3.9361 4.1648 4.1648 4.8133 4.8133 5.2417 5.2417 5.4106 5.4106 5.7885 5.7885 6.1918 6.1918 7.0968 7.0968 7.2337 7.2337 7.7330 7.7330 8.4512 8.4512 8.7293 8.7293 k = 0.5000 0.2887 0.0248 ( 5354 PWs) bands (ev): -5.4759 -5.4759 -5.0572 -5.0572 -4.9993 -4.9993 -3.8181 -3.8181 -3.5314 -3.5314 -3.4445 -3.4445 -2.5675 -2.5675 -1.2226 -1.2226 -0.9570 -0.9570 0.3429 0.3429 1.5178 1.5178 2.0730 2.0730 2.5367 2.5367 2.9018 2.9018 3.1016 3.1016 3.4255 3.4255 3.6521 3.6521 3.8699 3.8699 4.1419 4.1419 4.8536 4.8536 5.2889 5.2889 5.4136 5.4136 5.8006 5.8006 6.1701 6.1701 7.1092 7.1092 7.1601 7.1601 7.8035 7.8035 8.4062 8.4062 8.7278 8.7278 k = 0.5000 0.2887 0.0124 ( 5354 PWs) bands (ev): -5.4759 -5.4759 -5.0572 -5.0572 -4.9992 -4.9992 -3.8183 -3.8183 -3.5286 -3.5286 -3.4477 -3.4477 -2.5662 -2.5662 -1.2279 -1.2279 -0.9521 -0.9521 0.3444 0.3444 1.5089 1.5089 2.0713 2.0713 2.5365 2.5365 2.9576 2.9576 3.0954 3.0954 3.3898 3.3898 3.6853 3.6853 3.8087 3.8087 4.1285 4.1285 4.8816 4.8816 5.3091 5.3091 5.4249 5.4249 5.7959 5.7959 6.1729 6.1729 7.0550 7.0550 7.1703 7.1703 7.8520 7.8520 8.3765 8.3765 8.7318 8.7319 k = 0.5000 0.2887-0.0000 ( 5360 PWs) bands (ev): -5.4759 -5.4759 -5.0573 -5.0573 -4.9992 -4.9992 -3.8183 -3.8183 -3.5276 -3.5276 -3.4489 -3.4489 -2.5658 -2.5658 -1.2297 -1.2297 -0.9504 -0.9504 0.3449 0.3449 1.5059 1.5059 2.0708 2.0708 2.5364 2.5364 2.9833 2.9833 3.0883 3.0883 3.3749 3.3749 3.7146 3.7146 3.7710 3.7710 4.1241 4.1241 4.8917 4.8917 5.3121 5.3121 5.4334 5.4334 5.7904 5.7904 6.1779 6.1779 7.0311 7.0311 7.1778 7.1778 7.8696 7.8696 8.3661 8.3661 8.7462 8.7462 k = 0.3333 0.5774-0.0000 ( 5379 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4912 -3.4912 -3.4909 -3.4909 -3.2485 -3.2485 -3.2435 -3.2435 -1.4436 -1.4436 -1.4218 -1.4218 1.0758 1.0758 1.1014 1.1014 1.1517 1.1517 2.1341 2.1341 2.1653 2.1653 2.4032 2.4032 3.4856 3.4856 3.5527 3.5527 3.7895 3.7895 3.9922 3.9922 4.0147 4.0147 4.6016 4.6016 6.0202 6.0202 6.0881 6.0881 6.3650 6.3650 7.1822 7.1822 7.2837 7.2837 7.6664 7.6664 9.7976 9.7976 9.8588 9.8588 k = 0.3333 0.5774 0.0124 ( 5385 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4912 -3.4912 -3.4909 -3.4909 -3.2484 -3.2484 -3.2434 -3.2434 -1.4442 -1.4442 -1.4212 -1.4212 1.0754 1.0754 1.1008 1.1008 1.1511 1.1511 2.1370 2.1370 2.1682 2.1682 2.4061 2.4061 3.4765 3.4765 3.5318 3.5318 3.7482 3.7482 4.0380 4.0380 4.0397 4.0397 4.6142 4.6142 6.0024 6.0024 6.0703 6.0703 6.3481 6.3481 7.1986 7.1986 7.3005 7.3005 7.6838 7.6838 9.7763 9.7763 9.8365 9.8365 k = 0.3333 0.5774 0.0248 ( 5379 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4912 -3.4912 -3.4909 -3.4909 -3.2484 -3.2484 -3.2434 -3.2434 -1.4457 -1.4457 -1.4196 -1.4196 1.0744 1.0744 1.0994 1.0994 1.1492 1.1492 2.1455 2.1455 2.1767 2.1767 2.4149 2.4149 3.4508 3.4508 3.4795 3.4795 3.6697 3.6697 4.1043 4.1043 4.1300 4.1300 4.6508 4.6508 5.9518 5.9518 6.0197 6.0197 6.3000 6.3000 7.2447 7.2447 7.3475 7.3475 7.7334 7.7334 9.7181 9.7181 9.7764 9.7764 k = 0.3333 0.5774 0.0371 ( 5382 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4912 -3.4912 -3.4910 -3.4910 -3.2484 -3.2484 -3.2434 -3.2434 -1.4478 -1.4478 -1.4174 -1.4174 1.0728 1.0728 1.0971 1.0971 1.1463 1.1463 2.1592 2.1592 2.1903 2.1903 2.4290 2.4290 3.4122 3.4122 3.4126 3.4126 3.5863 3.5863 4.1921 4.1921 4.2360 4.2360 4.7080 4.7080 5.8757 5.8757 5.9434 5.9434 6.2269 6.2269 7.3127 7.3127 7.4172 7.4172 7.8088 7.8088 9.6340 9.6340 9.6921 9.6921 k = 0.3333 0.5774 0.0495 ( 5370 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4913 -3.4913 -3.4910 -3.4910 -3.2483 -3.2483 -3.2433 -3.2433 -1.4500 -1.4500 -1.4150 -1.4150 1.0709 1.0709 1.0943 1.0943 1.1426 1.1426 2.1771 2.1771 2.2081 2.2081 2.4477 2.4477 3.3419 3.3419 3.3658 3.3658 3.5057 3.5057 4.2925 4.2925 4.3485 4.3485 4.7813 4.7813 5.7817 5.7817 5.8490 5.8490 6.1360 6.1360 7.3941 7.3941 7.5011 7.5011 7.9028 7.9028 9.5337 9.5337 9.5955 9.5955 k = 0.3333 0.5774 0.0619 ( 5388 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4913 -3.4913 -3.4911 -3.4911 -3.2483 -3.2483 -3.2433 -3.2433 -1.4522 -1.4522 -1.4127 -1.4127 1.0687 1.0687 1.0912 1.0912 1.1386 1.1386 2.1980 2.1980 2.2286 2.2286 2.4696 2.4696 3.2734 3.2734 3.3166 3.3166 3.4307 3.4307 4.4001 4.4001 4.4649 4.4649 4.8666 4.8666 5.6763 5.6763 5.7430 5.7430 6.0331 6.0331 7.4810 7.4810 7.5914 7.5914 8.0089 8.0089 9.4235 9.4235 9.4955 9.4955 k = 0.3333 0.5774 0.0743 ( 5385 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4914 -3.4914 -3.4911 -3.4911 -3.2482 -3.2482 -3.2432 -3.2432 -1.4541 -1.4541 -1.4106 -1.4106 1.0666 1.0666 1.0882 1.0882 1.1347 1.1347 2.2202 2.2202 2.2502 2.2502 2.4932 2.4932 3.2109 3.2109 3.2692 3.2692 3.3632 3.3632 4.5115 4.5115 4.5838 4.5838 4.9598 4.9598 5.5644 5.5644 5.6308 5.6308 5.9229 5.9229 7.5664 7.5664 7.6810 7.6810 8.1216 8.1216 9.3084 9.3084 9.3992 9.3992 k = 0.3333 0.5774 0.0867 ( 5382 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4914 -3.4914 -3.4912 -3.4912 -3.2482 -3.2482 -3.2431 -3.2431 -1.4557 -1.4557 -1.4089 -1.4089 1.0646 1.0646 1.0855 1.0855 1.1312 1.1312 2.2415 2.2415 2.2708 2.2708 2.5162 2.5162 3.1577 3.1577 3.2280 3.2280 3.3051 3.3051 4.6237 4.6237 4.7041 4.7041 5.0557 5.0557 5.4505 5.4505 5.5182 5.5182 5.8089 5.8089 7.6437 7.6437 7.7631 7.7631 8.2353 8.2353 9.1931 9.1931 9.3128 9.3128 k = 0.3333 0.5774 0.0991 ( 5373 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4915 -3.4915 -3.4912 -3.4912 -3.2481 -3.2481 -3.2431 -3.2431 -1.4569 -1.4569 -1.4076 -1.4076 1.0631 1.0631 1.0833 1.0833 1.1285 1.1285 2.2595 2.2595 2.2880 2.2880 2.5358 2.5358 3.1168 3.1168 3.1965 3.1965 3.2592 3.2592 4.7319 4.7319 4.8235 4.8235 5.1415 5.1415 5.3405 5.3405 5.4186 5.4186 5.6948 5.6948 7.7062 7.7062 7.8304 7.8304 8.3422 8.3422 9.0853 9.0853 9.2431 9.2431 k = 0.3333 0.5774 0.1114 ( 5373 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4915 -3.4915 -3.4912 -3.4912 -3.2481 -3.2481 -3.2431 -3.2431 -1.4577 -1.4577 -1.4068 -1.4068 1.0622 1.0622 1.0820 1.0820 1.1267 1.1267 2.2716 2.2716 2.2995 2.2995 2.5492 2.5492 3.0908 3.0908 3.1773 3.1773 3.2289 3.2289 4.8241 4.8241 4.9362 4.9362 5.1682 5.1682 5.2469 5.2469 5.3817 5.3817 5.5868 5.5868 7.7472 7.7472 7.8751 7.8751 8.4273 8.4273 8.9997 8.9997 9.1971 9.1971 k = 0.3333 0.5774 0.1238 ( 5382 PWs) bands (ev): -5.1496 -5.1496 -4.7368 -4.7368 -4.7276 -4.7276 -3.4915 -3.4915 -3.4912 -3.4912 -3.2481 -3.2481 -3.2431 -3.2431 -1.4579 -1.4579 -1.4065 -1.4065 1.0618 1.0618 1.0815 1.0815 1.1261 1.1261 2.2759 2.2759 2.3036 2.3036 2.5540 2.5540 3.0818 3.0818 3.1710 3.1710 3.2182 3.2182 4.8662 4.8662 5.0036 5.0036 5.1338 5.1338 5.2044 5.2044 5.4129 5.4129 5.5207 5.5207 7.7616 7.7616 7.8908 7.8908 8.4625 8.4625 8.9643 8.9643 9.1809 9.1809 Writing output data file Ge2Sb2Te5.save init_run : 0.31s CPU 0.41s WALL ( 1 calls) electrons : 336.98s CPU 340.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 336.97s CPU 340.84s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 277 calls) cegterg : 317.20s CPU 320.45s WALL ( 589 calls) Called by sum_band: Called by *egterg: h_psi : 154.98s CPU 158.11s WALL ( 9745 calls) s_psi : 10.59s CPU 10.65s WALL ( 9745 calls) g_psi : 0.18s CPU 0.15s WALL ( 8879 calls) cdiaghg : 138.46s CPU 138.82s WALL ( 9156 calls) cegterg:over : 12.28s CPU 12.16s WALL ( 8879 calls) cegterg:upda : 6.60s CPU 6.80s WALL ( 8879 calls) cegterg:last : 4.16s CPU 4.08s WALL ( 1410 calls) cdiaghg:chol : 5.15s CPU 5.02s WALL ( 9156 calls) cdiaghg:inve : 2.74s CPU 2.82s WALL ( 9156 calls) cdiaghg:para : 8.33s CPU 8.33s WALL ( 18312 calls) Called by h_psi: h_psi:vloc : 129.96s CPU 132.84s WALL ( 9745 calls) h_psi:vnl : 24.91s CPU 25.10s WALL ( 9745 calls) add_vuspsi : 13.08s CPU 13.04s WALL ( 9745 calls) General routines calbec : 11.80s CPU 12.04s WALL ( 9745 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 125.94s CPU 128.71s WALL ( 957192 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.23s WALL ( 554 calls) Parallel routines fft_scatter : 95.50s CPU 98.13s WALL ( 957215 calls) PWSCF : 6m12.52s CPU 6m33.46s WALL This run was terminated on: 22:25:14 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=