Program PWSCF v.5.1.1 starts on 18Nov2015 at 6: 6: 9 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaxAsO3x2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 22 6 1415 616 98 Max 40 23 7 1419 639 103 Sum 1867 1069 313 68017 30053 4823 bravais-lattice index = 14 lattice parameter (alat) = 9.1236 a.u. unit-cell volume = 691.8945 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.123597 celldm(2)= 1.000000 celldm(3)= 1.051988 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.051988 ) 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 0.950581 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 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 As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 O 6.00 15.99940 O( 1.00) As 5.00 74.92160 As( 1.00) Ca 10.00 40.07800 Ca( 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 [0,1,0] 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 [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 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 [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 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 [0,1,0] 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 [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 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 3s_v -3s_v i -i 2S6 -2S6 3C2' -3C2' 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 3s_v -3s_v i -i 2S6 -2S6 3C2' -3C2' 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: E 1 3C2' 2 -6 -5 2C3 3 4 3C2' 5 6 -2 i 7 3s_v 8 -12 -11 2S6 9 10 3s_v 11 12 -8 -E -1 -2C3 -3 -4 -i -7 -2S6 -9 -10 Cartesian axes number of k points= 310 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0131579 0.0075967 -0.0000000), wk = 0.0032258 k( 3) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0032258 k( 4) = ( 0.0394737 0.0227901 -0.0000000), wk = 0.0032258 k( 5) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0032258 k( 6) = ( 0.0657895 0.0379836 -0.0000000), wk = 0.0032258 k( 7) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0032258 k( 8) = ( 0.0921053 0.0531770 -0.0000000), wk = 0.0032258 k( 9) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0032258 k( 10) = ( 0.1184210 0.0683704 -0.0000000), wk = 0.0032258 k( 11) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0032258 k( 12) = ( 0.1447368 0.0835639 -0.0000000), wk = 0.0032258 k( 13) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0032258 k( 14) = ( 0.1710526 0.0987573 -0.0000000), wk = 0.0032258 k( 15) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0032258 k( 16) = ( 0.1973684 0.1139507 -0.0000000), wk = 0.0032258 k( 17) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0032258 k( 18) = ( 0.2236842 0.1291441 -0.0000000), wk = 0.0032258 k( 19) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0032258 k( 20) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0032258 k( 21) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0032258 k( 22) = ( 0.2763158 0.1595310 -0.0000000), wk = 0.0032258 k( 23) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0032258 k( 24) = ( 0.3026316 0.1747244 -0.0000000), wk = 0.0032258 k( 25) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0032258 k( 26) = ( 0.3289474 0.1899179 -0.0000000), wk = 0.0032258 k( 27) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0032258 k( 28) = ( 0.3552632 0.2051113 -0.0000000), wk = 0.0032258 k( 29) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0032258 k( 30) = ( 0.3815789 0.2203047 -0.0000000), wk = 0.0032258 k( 31) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0032258 k( 32) = ( 0.4078947 0.2354981 -0.0000000), wk = 0.0032258 k( 33) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0032258 k( 34) = ( 0.4342105 0.2506916 -0.0000000), wk = 0.0032258 k( 35) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0032258 k( 36) = ( 0.4605263 0.2658850 -0.0000000), wk = 0.0032258 k( 37) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0032258 k( 38) = ( 0.4868421 0.2810784 -0.0000000), wk = 0.0032258 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032258 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032258 k( 41) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0032258 k( 42) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0032258 k( 43) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0032258 k( 44) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0032258 k( 45) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0032258 k( 46) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0032258 k( 47) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0032258 k( 48) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0032258 k( 49) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0032258 k( 50) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0032258 k( 51) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0032258 k( 52) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0032258 k( 53) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0032258 k( 54) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0032258 k( 55) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0032258 k( 56) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0032258 k( 57) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0032258 k( 58) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0032258 k( 59) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0032258 k( 60) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0032258 k( 61) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0032258 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032258 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032258 k( 64) = ( 0.3257576 0.5642287 -0.0000000), wk = 0.0032258 k( 65) = ( 0.3181818 0.5511071 -0.0000000), wk = 0.0032258 k( 66) = ( 0.3106061 0.5379855 -0.0000000), wk = 0.0032258 k( 67) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0032258 k( 68) = ( 0.2954545 0.5117423 -0.0000000), wk = 0.0032258 k( 69) = ( 0.2878788 0.4986207 -0.0000000), wk = 0.0032258 k( 70) = ( 0.2803030 0.4854991 -0.0000000), wk = 0.0032258 k( 71) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0032258 k( 72) = ( 0.2651515 0.4592559 -0.0000000), wk = 0.0032258 k( 73) = ( 0.2575758 0.4461343 -0.0000000), wk = 0.0032258 k( 74) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0032258 k( 75) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0032258 k( 76) = ( 0.2348485 0.4067695 -0.0000000), wk = 0.0032258 k( 77) = ( 0.2272727 0.3936479 -0.0000000), wk = 0.0032258 k( 78) = ( 0.2196970 0.3805263 -0.0000000), wk = 0.0032258 k( 79) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0032258 k( 80) = ( 0.2045454 0.3542831 -0.0000000), wk = 0.0032258 k( 81) = ( 0.1969697 0.3411615 -0.0000000), wk = 0.0032258 k( 82) = ( 0.1893939 0.3280399 -0.0000000), wk = 0.0032258 k( 83) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0032258 k( 84) = ( 0.1742424 0.3017967 -0.0000000), wk = 0.0032258 k( 85) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0032258 k( 86) = ( 0.1590909 0.2755535 -0.0000000), wk = 0.0032258 k( 87) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0032258 k( 88) = ( 0.1439394 0.2493103 -0.0000000), wk = 0.0032258 k( 89) = ( 0.1363636 0.2361888 -0.0000000), wk = 0.0032258 k( 90) = ( 0.1287879 0.2230672 -0.0000000), wk = 0.0032258 k( 91) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0032258 k( 92) = ( 0.1136364 0.1968239 -0.0000000), wk = 0.0032258 k( 93) = ( 0.1060606 0.1837024 -0.0000000), wk = 0.0032258 k( 94) = ( 0.0984848 0.1705808 -0.0000000), wk = 0.0032258 k( 95) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0032258 k( 96) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0032258 k( 97) = ( 0.0757576 0.1312160 -0.0000000), wk = 0.0032258 k( 98) = ( 0.0681818 0.1180944 -0.0000000), wk = 0.0032258 k( 99) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0032258 k( 100) = ( 0.0530303 0.0918512 -0.0000000), wk = 0.0032258 k( 101) = ( 0.0454546 0.0787296 -0.0000000), wk = 0.0032258 k( 102) = ( 0.0378788 0.0656080 -0.0000000), wk = 0.0032258 k( 103) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0032258 k( 104) = ( 0.0227273 0.0393648 -0.0000000), wk = 0.0032258 k( 105) = ( 0.0151515 0.0262432 -0.0000000), wk = 0.0032258 k( 106) = ( 0.0075758 0.0131216 -0.0000000), wk = 0.0032258 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 109) = ( 0.0000000 0.0000000 0.0153319), wk = 0.0032258 k( 110) = ( 0.0000000 0.0000000 0.0306639), wk = 0.0032258 k( 111) = ( 0.0000000 0.0000000 0.0459958), wk = 0.0032258 k( 112) = ( 0.0000000 0.0000000 0.0613278), wk = 0.0032258 k( 113) = ( 0.0000000 0.0000000 0.0766597), wk = 0.0032258 k( 114) = ( 0.0000000 0.0000000 0.0919917), wk = 0.0032258 k( 115) = ( 0.0000000 0.0000000 0.1073236), wk = 0.0032258 k( 116) = ( 0.0000000 0.0000000 0.1226556), wk = 0.0032258 k( 117) = ( 0.0000000 0.0000000 0.1379875), wk = 0.0032258 k( 118) = ( 0.0000000 0.0000000 0.1533195), wk = 0.0032258 k( 119) = ( 0.0000000 0.0000000 0.1686514), wk = 0.0032258 k( 120) = ( 0.0000000 0.0000000 0.1839834), wk = 0.0032258 k( 121) = ( 0.0000000 0.0000000 0.1993153), wk = 0.0032258 k( 122) = ( 0.0000000 0.0000000 0.2146473), wk = 0.0032258 k( 123) = ( 0.0000000 0.0000000 0.2299792), wk = 0.0032258 k( 124) = ( 0.0000000 0.0000000 0.2453112), wk = 0.0032258 k( 125) = ( 0.0000000 0.0000000 0.2606431), wk = 0.0032258 k( 126) = ( 0.0000000 0.0000000 0.2759751), wk = 0.0032258 k( 127) = ( 0.0000000 0.0000000 0.2913070), wk = 0.0032258 k( 128) = ( 0.0000000 0.0000000 0.3066390), wk = 0.0032258 k( 129) = ( 0.0000000 0.0000000 0.3219709), wk = 0.0032258 k( 130) = ( 0.0000000 0.0000000 0.3373029), wk = 0.0032258 k( 131) = ( 0.0000000 0.0000000 0.3526348), wk = 0.0032258 k( 132) = ( 0.0000000 0.0000000 0.3679668), wk = 0.0032258 k( 133) = ( 0.0000000 0.0000000 0.3832987), wk = 0.0032258 k( 134) = ( 0.0000000 0.0000000 0.3986307), wk = 0.0032258 k( 135) = ( 0.0000000 0.0000000 0.4139626), wk = 0.0032258 k( 136) = ( 0.0000000 0.0000000 0.4292946), wk = 0.0032258 k( 137) = ( 0.0000000 0.0000000 0.4446265), wk = 0.0032258 k( 138) = ( 0.0000000 0.0000000 0.4599585), wk = 0.0032258 k( 139) = ( 0.0000000 0.0000000 0.4752904), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.4752904), wk = 0.0032258 k( 141) = ( 0.0131579 0.0075967 0.4752904), wk = 0.0032258 k( 142) = ( 0.0263158 0.0151934 0.4752904), wk = 0.0032258 k( 143) = ( 0.0394737 0.0227901 0.4752904), wk = 0.0032258 k( 144) = ( 0.0526316 0.0303869 0.4752904), wk = 0.0032258 k( 145) = ( 0.0657895 0.0379836 0.4752904), wk = 0.0032258 k( 146) = ( 0.0789474 0.0455803 0.4752904), wk = 0.0032258 k( 147) = ( 0.0921053 0.0531770 0.4752904), wk = 0.0032258 k( 148) = ( 0.1052632 0.0607737 0.4752904), wk = 0.0032258 k( 149) = ( 0.1184210 0.0683704 0.4752904), wk = 0.0032258 k( 150) = ( 0.1315790 0.0759671 0.4752904), wk = 0.0032258 k( 151) = ( 0.1447368 0.0835639 0.4752904), wk = 0.0032258 k( 152) = ( 0.1578947 0.0911606 0.4752904), wk = 0.0032258 k( 153) = ( 0.1710526 0.0987573 0.4752904), wk = 0.0032258 k( 154) = ( 0.1842105 0.1063540 0.4752904), wk = 0.0032258 k( 155) = ( 0.1973684 0.1139507 0.4752904), wk = 0.0032258 k( 156) = ( 0.2105263 0.1215474 0.4752904), wk = 0.0032258 k( 157) = ( 0.2236842 0.1291441 0.4752904), wk = 0.0032258 k( 158) = ( 0.2368421 0.1367409 0.4752904), wk = 0.0032258 k( 159) = ( 0.2500000 0.1443376 0.4752904), wk = 0.0032258 k( 160) = ( 0.2631579 0.1519343 0.4752904), wk = 0.0032258 k( 161) = ( 0.2763158 0.1595310 0.4752904), wk = 0.0032258 k( 162) = ( 0.2894737 0.1671277 0.4752904), wk = 0.0032258 k( 163) = ( 0.3026316 0.1747244 0.4752904), wk = 0.0032258 k( 164) = ( 0.3157895 0.1823211 0.4752904), wk = 0.0032258 k( 165) = ( 0.3289474 0.1899179 0.4752904), wk = 0.0032258 k( 166) = ( 0.3421053 0.1975146 0.4752904), wk = 0.0032258 k( 167) = ( 0.3552632 0.2051113 0.4752904), wk = 0.0032258 k( 168) = ( 0.3684211 0.2127080 0.4752904), wk = 0.0032258 k( 169) = ( 0.3815789 0.2203047 0.4752904), wk = 0.0032258 k( 170) = ( 0.3947368 0.2279014 0.4752904), wk = 0.0032258 k( 171) = ( 0.4078947 0.2354981 0.4752904), wk = 0.0032258 k( 172) = ( 0.4210526 0.2430948 0.4752904), wk = 0.0032258 k( 173) = ( 0.4342105 0.2506916 0.4752904), wk = 0.0032258 k( 174) = ( 0.4473684 0.2582883 0.4752904), wk = 0.0032258 k( 175) = ( 0.4605263 0.2658850 0.4752904), wk = 0.0032258 k( 176) = ( 0.4736842 0.2734817 0.4752904), wk = 0.0032258 k( 177) = ( 0.4868421 0.2810784 0.4752904), wk = 0.0032258 k( 178) = ( 0.5000000 0.2886751 0.4752904), wk = 0.0032258 k( 179) = ( 0.5000000 0.2886751 0.4752904), wk = 0.0032258 k( 180) = ( 0.4924242 0.3017967 0.4752904), wk = 0.0032258 k( 181) = ( 0.4848485 0.3149183 0.4752904), wk = 0.0032258 k( 182) = ( 0.4772727 0.3280399 0.4752904), wk = 0.0032258 k( 183) = ( 0.4696970 0.3411615 0.4752904), wk = 0.0032258 k( 184) = ( 0.4621212 0.3542831 0.4752904), wk = 0.0032258 k( 185) = ( 0.4545455 0.3674047 0.4752904), wk = 0.0032258 k( 186) = ( 0.4469697 0.3805263 0.4752904), wk = 0.0032258 k( 187) = ( 0.4393939 0.3936479 0.4752904), wk = 0.0032258 k( 188) = ( 0.4318182 0.4067695 0.4752904), wk = 0.0032258 k( 189) = ( 0.4242424 0.4198911 0.4752904), wk = 0.0032258 k( 190) = ( 0.4166667 0.4330127 0.4752904), wk = 0.0032258 k( 191) = ( 0.4090909 0.4461343 0.4752904), wk = 0.0032258 k( 192) = ( 0.4015151 0.4592559 0.4752904), wk = 0.0032258 k( 193) = ( 0.3939394 0.4723775 0.4752904), wk = 0.0032258 k( 194) = ( 0.3863636 0.4854991 0.4752904), wk = 0.0032258 k( 195) = ( 0.3787879 0.4986207 0.4752904), wk = 0.0032258 k( 196) = ( 0.3712121 0.5117423 0.4752904), wk = 0.0032258 k( 197) = ( 0.3636364 0.5248639 0.4752904), wk = 0.0032258 k( 198) = ( 0.3560606 0.5379855 0.4752904), wk = 0.0032258 k( 199) = ( 0.3484849 0.5511071 0.4752904), wk = 0.0032258 k( 200) = ( 0.3409091 0.5642287 0.4752904), wk = 0.0032258 k( 201) = ( 0.3333333 0.5773503 0.4752904), wk = 0.0032258 k( 202) = ( 0.3333333 0.5773503 0.4752904), wk = 0.0032258 k( 203) = ( 0.3257576 0.5642287 0.4752904), wk = 0.0032258 k( 204) = ( 0.3181818 0.5511071 0.4752904), wk = 0.0032258 k( 205) = ( 0.3106061 0.5379855 0.4752904), wk = 0.0032258 k( 206) = ( 0.3030303 0.5248639 0.4752904), wk = 0.0032258 k( 207) = ( 0.2954545 0.5117423 0.4752904), wk = 0.0032258 k( 208) = ( 0.2878788 0.4986207 0.4752904), wk = 0.0032258 k( 209) = ( 0.2803030 0.4854991 0.4752904), wk = 0.0032258 k( 210) = ( 0.2727273 0.4723775 0.4752904), wk = 0.0032258 k( 211) = ( 0.2651515 0.4592559 0.4752904), wk = 0.0032258 k( 212) = ( 0.2575758 0.4461343 0.4752904), wk = 0.0032258 k( 213) = ( 0.2500000 0.4330127 0.4752904), wk = 0.0032258 k( 214) = ( 0.2424242 0.4198911 0.4752904), wk = 0.0032258 k( 215) = ( 0.2348485 0.4067695 0.4752904), wk = 0.0032258 k( 216) = ( 0.2272727 0.3936479 0.4752904), wk = 0.0032258 k( 217) = ( 0.2196970 0.3805263 0.4752904), wk = 0.0032258 k( 218) = ( 0.2121212 0.3674047 0.4752904), wk = 0.0032258 k( 219) = ( 0.2045454 0.3542831 0.4752904), wk = 0.0032258 k( 220) = ( 0.1969697 0.3411615 0.4752904), wk = 0.0032258 k( 221) = ( 0.1893939 0.3280399 0.4752904), wk = 0.0032258 k( 222) = ( 0.1818182 0.3149183 0.4752904), wk = 0.0032258 k( 223) = ( 0.1742424 0.3017967 0.4752904), wk = 0.0032258 k( 224) = ( 0.1666667 0.2886751 0.4752904), wk = 0.0032258 k( 225) = ( 0.1590909 0.2755535 0.4752904), wk = 0.0032258 k( 226) = ( 0.1515151 0.2624319 0.4752904), wk = 0.0032258 k( 227) = ( 0.1439394 0.2493103 0.4752904), wk = 0.0032258 k( 228) = ( 0.1363636 0.2361888 0.4752904), wk = 0.0032258 k( 229) = ( 0.1287879 0.2230672 0.4752904), wk = 0.0032258 k( 230) = ( 0.1212121 0.2099456 0.4752904), wk = 0.0032258 k( 231) = ( 0.1136364 0.1968239 0.4752904), wk = 0.0032258 k( 232) = ( 0.1060606 0.1837024 0.4752904), wk = 0.0032258 k( 233) = ( 0.0984848 0.1705808 0.4752904), wk = 0.0032258 k( 234) = ( 0.0909091 0.1574592 0.4752904), wk = 0.0032258 k( 235) = ( 0.0833333 0.1443376 0.4752904), wk = 0.0032258 k( 236) = ( 0.0757576 0.1312160 0.4752904), wk = 0.0032258 k( 237) = ( 0.0681818 0.1180944 0.4752904), wk = 0.0032258 k( 238) = ( 0.0606061 0.1049728 0.4752904), wk = 0.0032258 k( 239) = ( 0.0530303 0.0918512 0.4752904), wk = 0.0032258 k( 240) = ( 0.0454546 0.0787296 0.4752904), wk = 0.0032258 k( 241) = ( 0.0378788 0.0656080 0.4752904), wk = 0.0032258 k( 242) = ( 0.0303030 0.0524864 0.4752904), wk = 0.0032258 k( 243) = ( 0.0227273 0.0393648 0.4752904), wk = 0.0032258 k( 244) = ( 0.0151515 0.0262432 0.4752904), wk = 0.0032258 k( 245) = ( 0.0075758 0.0131216 0.4752904), wk = 0.0032258 k( 246) = ( 0.0000000 0.0000000 0.4752904), wk = 0.0032258 k( 247) = ( 0.5000000 0.2886751 0.4752904), wk = 0.0032258 k( 248) = ( 0.5000000 0.2886751 0.4599585), wk = 0.0032258 k( 249) = ( 0.5000000 0.2886751 0.4446265), wk = 0.0032258 k( 250) = ( 0.5000000 0.2886751 0.4292946), wk = 0.0032258 k( 251) = ( 0.5000000 0.2886751 0.4139626), wk = 0.0032258 k( 252) = ( 0.5000000 0.2886751 0.3986307), wk = 0.0032258 k( 253) = ( 0.5000000 0.2886751 0.3832987), wk = 0.0032258 k( 254) = ( 0.5000000 0.2886751 0.3679668), wk = 0.0032258 k( 255) = ( 0.5000000 0.2886751 0.3526348), wk = 0.0032258 k( 256) = ( 0.5000000 0.2886751 0.3373029), wk = 0.0032258 k( 257) = ( 0.5000000 0.2886751 0.3219709), wk = 0.0032258 k( 258) = ( 0.5000000 0.2886751 0.3066390), wk = 0.0032258 k( 259) = ( 0.5000000 0.2886751 0.2913070), wk = 0.0032258 k( 260) = ( 0.5000000 0.2886751 0.2759751), wk = 0.0032258 k( 261) = ( 0.5000000 0.2886751 0.2606431), wk = 0.0032258 k( 262) = ( 0.5000000 0.2886751 0.2453112), wk = 0.0032258 k( 263) = ( 0.5000000 0.2886751 0.2299792), wk = 0.0032258 k( 264) = ( 0.5000000 0.2886751 0.2146473), wk = 0.0032258 k( 265) = ( 0.5000000 0.2886751 0.1993153), wk = 0.0032258 k( 266) = ( 0.5000000 0.2886751 0.1839834), wk = 0.0032258 k( 267) = ( 0.5000000 0.2886751 0.1686514), wk = 0.0032258 k( 268) = ( 0.5000000 0.2886751 0.1533195), wk = 0.0032258 k( 269) = ( 0.5000000 0.2886751 0.1379875), wk = 0.0032258 k( 270) = ( 0.5000000 0.2886751 0.1226556), wk = 0.0032258 k( 271) = ( 0.5000000 0.2886751 0.1073236), wk = 0.0032258 k( 272) = ( 0.5000000 0.2886751 0.0919917), wk = 0.0032258 k( 273) = ( 0.5000000 0.2886751 0.0766597), wk = 0.0032258 k( 274) = ( 0.5000000 0.2886751 0.0613278), wk = 0.0032258 k( 275) = ( 0.5000000 0.2886751 0.0459958), wk = 0.0032258 k( 276) = ( 0.5000000 0.2886751 0.0306639), wk = 0.0032258 k( 277) = ( 0.5000000 0.2886751 0.0153319), wk = 0.0032258 k( 278) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032258 k( 279) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032258 k( 280) = ( 0.3333333 0.5773503 0.0153319), wk = 0.0032258 k( 281) = ( 0.3333333 0.5773503 0.0306639), wk = 0.0032258 k( 282) = ( 0.3333333 0.5773503 0.0459958), wk = 0.0032258 k( 283) = ( 0.3333333 0.5773503 0.0613278), wk = 0.0032258 k( 284) = ( 0.3333333 0.5773503 0.0766597), wk = 0.0032258 k( 285) = ( 0.3333333 0.5773503 0.0919917), wk = 0.0032258 k( 286) = ( 0.3333333 0.5773503 0.1073236), wk = 0.0032258 k( 287) = ( 0.3333333 0.5773503 0.1226556), wk = 0.0032258 k( 288) = ( 0.3333333 0.5773503 0.1379875), wk = 0.0032258 k( 289) = ( 0.3333333 0.5773503 0.1533195), wk = 0.0032258 k( 290) = ( 0.3333333 0.5773503 0.1686514), wk = 0.0032258 k( 291) = ( 0.3333333 0.5773503 0.1839834), wk = 0.0032258 k( 292) = ( 0.3333333 0.5773503 0.1993153), wk = 0.0032258 k( 293) = ( 0.3333333 0.5773503 0.2146473), wk = 0.0032258 k( 294) = ( 0.3333333 0.5773503 0.2299792), wk = 0.0032258 k( 295) = ( 0.3333333 0.5773503 0.2453112), wk = 0.0032258 k( 296) = ( 0.3333333 0.5773503 0.2606431), wk = 0.0032258 k( 297) = ( 0.3333333 0.5773503 0.2759751), wk = 0.0032258 k( 298) = ( 0.3333333 0.5773503 0.2913070), wk = 0.0032258 k( 299) = ( 0.3333333 0.5773503 0.3066390), wk = 0.0032258 k( 300) = ( 0.3333333 0.5773503 0.3219709), wk = 0.0032258 k( 301) = ( 0.3333333 0.5773503 0.3373029), wk = 0.0032258 k( 302) = ( 0.3333333 0.5773503 0.3526348), wk = 0.0032258 k( 303) = ( 0.3333333 0.5773503 0.3679668), wk = 0.0032258 k( 304) = ( 0.3333333 0.5773503 0.3832987), wk = 0.0032258 k( 305) = ( 0.3333333 0.5773503 0.3986307), wk = 0.0032258 k( 306) = ( 0.3333333 0.5773503 0.4139626), wk = 0.0032258 k( 307) = ( 0.3333333 0.5773503 0.4292946), wk = 0.0032258 k( 308) = ( 0.3333333 0.5773503 0.4446265), wk = 0.0032258 k( 309) = ( 0.3333333 0.5773503 0.4599585), wk = 0.0032258 k( 310) = ( 0.3333333 0.5773503 0.4752904), wk = 0.0032258 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0131579 0.0000000 -0.0000000), wk = 0.0032258 k( 3) = ( 0.0263158 0.0000000 0.0000000), wk = 0.0032258 k( 4) = ( 0.0394737 0.0000000 0.0000000), wk = 0.0032258 k( 5) = ( 0.0526316 0.0000000 0.0000000), wk = 0.0032258 k( 6) = ( 0.0657895 0.0000000 0.0000000), wk = 0.0032258 k( 7) = ( 0.0789474 0.0000000 -0.0000000), wk = 0.0032258 k( 8) = ( 0.0921053 0.0000000 -0.0000000), wk = 0.0032258 k( 9) = ( 0.1052632 0.0000000 0.0000000), wk = 0.0032258 k( 10) = ( 0.1184210 -0.0000000 -0.0000000), wk = 0.0032258 k( 11) = ( 0.1315790 0.0000000 -0.0000000), wk = 0.0032258 k( 12) = ( 0.1447368 0.0000000 0.0000000), wk = 0.0032258 k( 13) = ( 0.1578947 0.0000000 -0.0000000), wk = 0.0032258 k( 14) = ( 0.1710526 0.0000000 -0.0000000), wk = 0.0032258 k( 15) = ( 0.1842105 0.0000000 0.0000000), wk = 0.0032258 k( 16) = ( 0.1973684 0.0000000 0.0000000), wk = 0.0032258 k( 17) = ( 0.2105263 0.0000000 0.0000000), wk = 0.0032258 k( 18) = ( 0.2236842 0.0000000 -0.0000000), wk = 0.0032258 k( 19) = ( 0.2368421 0.0000000 -0.0000000), wk = 0.0032258 k( 20) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0032258 k( 21) = ( 0.2631579 0.0000000 -0.0000000), wk = 0.0032258 k( 22) = ( 0.2763158 0.0000000 -0.0000000), wk = 0.0032258 k( 23) = ( 0.2894737 0.0000000 0.0000000), wk = 0.0032258 k( 24) = ( 0.3026316 0.0000000 -0.0000000), wk = 0.0032258 k( 25) = ( 0.3157895 0.0000000 -0.0000000), wk = 0.0032258 k( 26) = ( 0.3289474 0.0000000 0.0000000), wk = 0.0032258 k( 27) = ( 0.3421053 0.0000000 -0.0000000), wk = 0.0032258 k( 28) = ( 0.3552632 0.0000000 -0.0000000), wk = 0.0032258 k( 29) = ( 0.3684211 0.0000000 -0.0000000), wk = 0.0032258 k( 30) = ( 0.3815789 0.0000000 0.0000000), wk = 0.0032258 k( 31) = ( 0.3947368 0.0000000 0.0000000), wk = 0.0032258 k( 32) = ( 0.4078947 0.0000000 -0.0000000), wk = 0.0032258 k( 33) = ( 0.4210526 -0.0000000 -0.0000000), wk = 0.0032258 k( 34) = ( 0.4342105 0.0000000 -0.0000000), wk = 0.0032258 k( 35) = ( 0.4473684 0.0000000 -0.0000000), wk = 0.0032258 k( 36) = ( 0.4605263 0.0000000 -0.0000000), wk = 0.0032258 k( 37) = ( 0.4736842 0.0000000 -0.0000000), wk = 0.0032258 k( 38) = ( 0.4868421 -0.0000000 -0.0000000), wk = 0.0032258 k( 39) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032258 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032258 k( 41) = ( 0.4924242 0.0151515 -0.0000000), wk = 0.0032258 k( 42) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0032258 k( 43) = ( 0.4772727 0.0454546 0.0000000), wk = 0.0032258 k( 44) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0032258 k( 45) = ( 0.4621212 0.0757576 -0.0000000), wk = 0.0032258 k( 46) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0032258 k( 47) = ( 0.4469697 0.1060606 -0.0000000), wk = 0.0032258 k( 48) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0032258 k( 49) = ( 0.4318182 0.1363636 -0.0000000), wk = 0.0032258 k( 50) = ( 0.4242424 0.1515151 -0.0000000), wk = 0.0032258 k( 51) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0032258 k( 52) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0032258 k( 53) = ( 0.4015151 0.1969697 0.0000000), wk = 0.0032258 k( 54) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0032258 k( 55) = ( 0.3863636 0.2272727 -0.0000000), wk = 0.0032258 k( 56) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0032258 k( 57) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0032258 k( 58) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0032258 k( 59) = ( 0.3560606 0.2878788 0.0000000), wk = 0.0032258 k( 60) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0032258 k( 61) = ( 0.3409091 0.3181818 0.0000000), wk = 0.0032258 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032258 k( 63) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032258 k( 64) = ( 0.3257576 0.3257576 0.0000000), wk = 0.0032258 k( 65) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0032258 k( 66) = ( 0.3106061 0.3106061 -0.0000000), wk = 0.0032258 k( 67) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0032258 k( 68) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0032258 k( 69) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0032258 k( 70) = ( 0.2803030 0.2803030 0.0000000), wk = 0.0032258 k( 71) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0032258 k( 72) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0032258 k( 73) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0032258 k( 74) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032258 k( 75) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0032258 k( 76) = ( 0.2348485 0.2348485 -0.0000000), wk = 0.0032258 k( 77) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0032258 k( 78) = ( 0.2196970 0.2196970 0.0000000), wk = 0.0032258 k( 79) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0032258 k( 80) = ( 0.2045454 0.2045455 -0.0000000), wk = 0.0032258 k( 81) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0032258 k( 82) = ( 0.1893939 0.1893939 0.0000000), wk = 0.0032258 k( 83) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0032258 k( 84) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0032258 k( 85) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0032258 k( 86) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0032258 k( 87) = ( 0.1515151 0.1515152 0.0000000), wk = 0.0032258 k( 88) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0032258 k( 89) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0032258 k( 90) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0032258 k( 91) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0032258 k( 92) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0032258 k( 93) = ( 0.1060606 0.1060606 0.0000000), wk = 0.0032258 k( 94) = ( 0.0984848 0.0984849 -0.0000000), wk = 0.0032258 k( 95) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0032258 k( 96) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0032258 k( 97) = ( 0.0757576 0.0757576 0.0000000), wk = 0.0032258 k( 98) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0032258 k( 99) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0032258 k( 100) = ( 0.0530303 0.0530303 0.0000000), wk = 0.0032258 k( 101) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0032258 k( 102) = ( 0.0378788 0.0378788 0.0000000), wk = 0.0032258 k( 103) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0032258 k( 104) = ( 0.0227273 0.0227273 0.0000000), wk = 0.0032258 k( 105) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0032258 k( 106) = ( 0.0075758 0.0075758 0.0000000), wk = 0.0032258 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 109) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0032258 k( 110) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0032258 k( 111) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0032258 k( 112) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0032258 k( 113) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0032258 k( 114) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0032258 k( 115) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0032258 k( 116) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0032258 k( 117) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0032258 k( 118) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0032258 k( 119) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0032258 k( 120) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0032258 k( 121) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0032258 k( 122) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0032258 k( 123) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0032258 k( 124) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0032258 k( 125) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0032258 k( 126) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0032258 k( 127) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0032258 k( 128) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0032258 k( 129) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0032258 k( 130) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0032258 k( 131) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0032258 k( 132) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0032258 k( 133) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0032258 k( 134) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0032258 k( 135) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0032258 k( 136) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0032258 k( 137) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0032258 k( 138) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0032258 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 141) = ( 0.0131579 0.0000000 0.5000000), wk = 0.0032258 k( 142) = ( 0.0263158 0.0000000 0.5000000), wk = 0.0032258 k( 143) = ( 0.0394737 0.0000000 0.5000000), wk = 0.0032258 k( 144) = ( 0.0526316 0.0000000 0.5000000), wk = 0.0032258 k( 145) = ( 0.0657895 0.0000000 0.5000000), wk = 0.0032258 k( 146) = ( 0.0789474 0.0000000 0.5000000), wk = 0.0032258 k( 147) = ( 0.0921053 0.0000000 0.5000000), wk = 0.0032258 k( 148) = ( 0.1052632 0.0000000 0.5000000), wk = 0.0032258 k( 149) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0032258 k( 150) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0032258 k( 151) = ( 0.1447368 0.0000000 0.5000000), wk = 0.0032258 k( 152) = ( 0.1578947 0.0000000 0.5000000), wk = 0.0032258 k( 153) = ( 0.1710526 0.0000000 0.5000000), wk = 0.0032258 k( 154) = ( 0.1842105 0.0000000 0.5000000), wk = 0.0032258 k( 155) = ( 0.1973684 0.0000000 0.5000000), wk = 0.0032258 k( 156) = ( 0.2105263 0.0000000 0.5000000), wk = 0.0032258 k( 157) = ( 0.2236842 0.0000000 0.5000000), wk = 0.0032258 k( 158) = ( 0.2368421 0.0000000 0.5000000), wk = 0.0032258 k( 159) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0032258 k( 160) = ( 0.2631579 0.0000000 0.5000000), wk = 0.0032258 k( 161) = ( 0.2763158 0.0000000 0.5000000), wk = 0.0032258 k( 162) = ( 0.2894737 0.0000000 0.5000000), wk = 0.0032258 k( 163) = ( 0.3026316 0.0000000 0.5000000), wk = 0.0032258 k( 164) = ( 0.3157895 0.0000000 0.5000000), wk = 0.0032258 k( 165) = ( 0.3289474 0.0000000 0.5000000), wk = 0.0032258 k( 166) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0032258 k( 167) = ( 0.3552632 0.0000000 0.5000000), wk = 0.0032258 k( 168) = ( 0.3684211 0.0000000 0.5000000), wk = 0.0032258 k( 169) = ( 0.3815789 0.0000000 0.5000000), wk = 0.0032258 k( 170) = ( 0.3947368 0.0000000 0.5000000), wk = 0.0032258 k( 171) = ( 0.4078947 0.0000000 0.5000000), wk = 0.0032258 k( 172) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0032258 k( 173) = ( 0.4342105 0.0000000 0.5000000), wk = 0.0032258 k( 174) = ( 0.4473684 0.0000000 0.5000000), wk = 0.0032258 k( 175) = ( 0.4605263 0.0000000 0.5000000), wk = 0.0032258 k( 176) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0032258 k( 177) = ( 0.4868421 -0.0000000 0.5000000), wk = 0.0032258 k( 178) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 179) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 180) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0032258 k( 181) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0032258 k( 182) = ( 0.4772727 0.0454546 0.5000000), wk = 0.0032258 k( 183) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0032258 k( 184) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0032258 k( 185) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0032258 k( 186) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0032258 k( 187) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0032258 k( 188) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0032258 k( 189) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0032258 k( 190) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0032258 k( 191) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0032258 k( 192) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0032258 k( 193) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0032258 k( 194) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0032258 k( 195) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0032258 k( 196) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0032258 k( 197) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0032258 k( 198) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0032258 k( 199) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0032258 k( 200) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0032258 k( 201) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032258 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032258 k( 203) = ( 0.3257576 0.3257576 0.5000000), wk = 0.0032258 k( 204) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0032258 k( 205) = ( 0.3106061 0.3106061 0.5000000), wk = 0.0032258 k( 206) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0032258 k( 207) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0032258 k( 208) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0032258 k( 209) = ( 0.2803030 0.2803030 0.5000000), wk = 0.0032258 k( 210) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0032258 k( 211) = ( 0.2651515 0.2651515 0.5000000), wk = 0.0032258 k( 212) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0032258 k( 213) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0032258 k( 214) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0032258 k( 215) = ( 0.2348485 0.2348485 0.5000000), wk = 0.0032258 k( 216) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0032258 k( 217) = ( 0.2196970 0.2196970 0.5000000), wk = 0.0032258 k( 218) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0032258 k( 219) = ( 0.2045454 0.2045455 0.5000000), wk = 0.0032258 k( 220) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0032258 k( 221) = ( 0.1893939 0.1893939 0.5000000), wk = 0.0032258 k( 222) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0032258 k( 223) = ( 0.1742424 0.1742424 0.5000000), wk = 0.0032258 k( 224) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0032258 k( 225) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0032258 k( 226) = ( 0.1515151 0.1515152 0.5000000), wk = 0.0032258 k( 227) = ( 0.1439394 0.1439394 0.5000000), wk = 0.0032258 k( 228) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0032258 k( 229) = ( 0.1287879 0.1287879 0.5000000), wk = 0.0032258 k( 230) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0032258 k( 231) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0032258 k( 232) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0032258 k( 233) = ( 0.0984848 0.0984849 0.5000000), wk = 0.0032258 k( 234) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0032258 k( 235) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0032258 k( 236) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0032258 k( 237) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0032258 k( 238) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0032258 k( 239) = ( 0.0530303 0.0530303 0.5000000), wk = 0.0032258 k( 240) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0032258 k( 241) = ( 0.0378788 0.0378788 0.5000000), wk = 0.0032258 k( 242) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0032258 k( 243) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0032258 k( 244) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0032258 k( 245) = ( 0.0075758 0.0075758 0.5000000), wk = 0.0032258 k( 246) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 247) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 248) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0032258 k( 249) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0032258 k( 250) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0032258 k( 251) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0032258 k( 252) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0032258 k( 253) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0032258 k( 254) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0032258 k( 255) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0032258 k( 256) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0032258 k( 257) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0032258 k( 258) = ( 0.5000000 0.0000000 0.3225806), wk = 0.0032258 k( 259) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0032258 k( 260) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0032258 k( 261) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0032258 k( 262) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0032258 k( 263) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0032258 k( 264) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0032258 k( 265) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0032258 k( 266) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0032258 k( 267) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0032258 k( 268) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0032258 k( 269) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0032258 k( 270) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0032258 k( 271) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0032258 k( 272) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0032258 k( 273) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0032258 k( 274) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0032258 k( 275) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0032258 k( 276) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0032258 k( 277) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0032258 k( 278) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032258 k( 279) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032258 k( 280) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0032258 k( 281) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0032258 k( 282) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0032258 k( 283) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0032258 k( 284) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0032258 k( 285) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0032258 k( 286) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0032258 k( 287) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0032258 k( 288) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0032258 k( 289) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0032258 k( 290) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0032258 k( 291) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0032258 k( 292) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0032258 k( 293) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0032258 k( 294) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0032258 k( 295) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0032258 k( 296) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0032258 k( 297) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0032258 k( 298) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0032258 k( 299) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0032258 k( 300) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0032258 k( 301) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0032258 k( 302) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0032258 k( 303) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0032258 k( 304) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0032258 k( 305) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0032258 k( 306) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0032258 k( 307) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0032258 k( 308) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0032258 k( 309) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0032258 k( 310) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032258 Dense grid: 68017 G-vectors FFT dimensions: ( 54, 54, 60) Smooth grid: 30053 G-vectors FFT dimensions: ( 40, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 172, 68) NL pseudopotentials 0.19 Mb ( 86, 146) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1416) G-vector shells 0.01 Mb ( 727) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 172, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.30 Mb ( 146, 2, 68) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaxAsO3x2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.1 secs Computing kpt #: 2 total cpu time spent up to now is 57.8 secs Computing kpt #: 3 total cpu time spent up to now is 63.0 secs Computing kpt #: 4 total cpu time spent up to now is 67.9 secs Computing kpt #: 5 total cpu time spent up to now is 73.4 secs Computing kpt #: 6 total cpu time spent up to now is 78.4 secs Computing kpt #: 7 total cpu time spent up to now is 82.1 secs Computing kpt #: 8 total cpu time spent up to now is 85.9 secs Computing kpt #: 9 total cpu time spent up to now is 89.7 secs Computing kpt #: 10 total cpu time spent up to now is 93.4 secs Computing kpt #: 11 total cpu time spent up to now is 97.1 secs Computing kpt #: 12 total cpu time spent up to now is 100.8 secs Computing kpt #: 13 total cpu time spent up to now is 104.4 secs Computing kpt #: 14 total cpu time spent up to now is 108.0 secs Computing kpt #: 15 total cpu time spent up to now is 111.8 secs Computing kpt #: 16 total cpu time spent up to now is 115.5 secs Computing kpt #: 17 total cpu time spent up to now is 119.3 secs Computing kpt #: 18 total cpu time spent up to now is 122.9 secs Computing kpt #: 19 total cpu time spent up to now is 126.5 secs Computing kpt #: 20 total cpu time spent up to now is 130.1 secs Computing kpt #: 21 total cpu time spent up to now is 133.9 secs Computing kpt #: 22 total cpu time spent up to now is 137.6 secs Computing kpt #: 23 total cpu time spent up to now is 141.5 secs Computing kpt #: 24 total cpu time spent up to now is 145.4 secs Computing kpt #: 25 total cpu time spent up to now is 149.6 secs Computing kpt #: 26 total cpu time spent up to now is 154.3 secs Computing kpt #: 27 total cpu time spent up to now is 158.3 secs Computing kpt #: 28 total cpu time spent up to now is 162.5 secs Computing kpt #: 29 total cpu time spent up to now is 166.6 secs Computing kpt #: 30 total cpu time spent up to now is 170.8 secs Computing kpt #: 31 total cpu time spent up to now is 175.2 secs Computing kpt #: 32 total cpu time spent up to now is 179.3 secs Computing kpt #: 33 total cpu time spent up to now is 183.4 secs Computing kpt #: 34 total cpu time spent up to now is 187.6 secs Computing kpt #: 35 total cpu time spent up to now is 191.7 secs Computing kpt #: 36 total cpu time spent up to now is 195.7 secs Computing kpt #: 37 total cpu time spent up to now is 199.5 secs Computing kpt #: 38 total cpu time spent up to now is 204.2 secs Computing kpt #: 39 total cpu time spent up to now is 208.4 secs Computing kpt #: 40 total cpu time spent up to now is 214.1 secs Computing kpt #: 41 total cpu time spent up to now is 219.5 secs Computing kpt #: 42 total cpu time spent up to now is 223.5 secs Computing kpt #: 43 total cpu time spent up to now is 228.3 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 234.5 secs Computing kpt #: 45 total cpu time spent up to now is 240.4 secs Computing kpt #: 46 total cpu time spent up to now is 244.5 secs Computing kpt #: 47 total cpu time spent up to now is 249.4 secs Computing kpt #: 48 total cpu time spent up to now is 253.5 secs Computing kpt #: 49 total cpu time spent up to now is 257.9 secs Computing kpt #: 50 total cpu time spent up to now is 262.3 secs Computing kpt #: 51 total cpu time spent up to now is 267.5 secs Computing kpt #: 52 total cpu time spent up to now is 271.7 secs Computing kpt #: 53 total cpu time spent up to now is 275.7 secs Computing kpt #: 54 total cpu time spent up to now is 280.8 secs Computing kpt #: 55 total cpu time spent up to now is 285.1 secs Computing kpt #: 56 total cpu time spent up to now is 289.3 secs Computing kpt #: 57 total cpu time spent up to now is 294.0 secs Computing kpt #: 58 total cpu time spent up to now is 298.9 secs Computing kpt #: 59 total cpu time spent up to now is 303.9 secs Computing kpt #: 60 total cpu time spent up to now is 308.3 secs Computing kpt #: 61 total cpu time spent up to now is 312.2 secs Computing kpt #: 62 total cpu time spent up to now is 316.4 secs Computing kpt #: 63 total cpu time spent up to now is 320.6 secs Computing kpt #: 64 total cpu time spent up to now is 324.6 secs Computing kpt #: 65 total cpu time spent up to now is 329.0 secs Computing kpt #: 66 total cpu time spent up to now is 333.8 secs Computing kpt #: 67 total cpu time spent up to now is 337.7 secs Computing kpt #: 68 total cpu time spent up to now is 341.5 secs Computing kpt #: 69 total cpu time spent up to now is 345.7 secs Computing kpt #: 70 total cpu time spent up to now is 349.5 secs Computing kpt #: 71 total cpu time spent up to now is 353.3 secs Computing kpt #: 72 total cpu time spent up to now is 357.0 secs Computing kpt #: 73 total cpu time spent up to now is 360.7 secs Computing kpt #: 74 total cpu time spent up to now is 364.3 secs Computing kpt #: 75 total cpu time spent up to now is 368.3 secs Computing kpt #: 76 total cpu time spent up to now is 371.9 secs Computing kpt #: 77 total cpu time spent up to now is 375.5 secs Computing kpt #: 78 total cpu time spent up to now is 379.4 secs Computing kpt #: 79 total cpu time spent up to now is 383.0 secs Computing kpt #: 80 total cpu time spent up to now is 386.7 secs Computing kpt #: 81 total cpu time spent up to now is 390.4 secs Computing kpt #: 82 total cpu time spent up to now is 394.1 secs Computing kpt #: 83 total cpu time spent up to now is 397.7 secs Computing kpt #: 84 total cpu time spent up to now is 401.9 secs Computing kpt #: 85 total cpu time spent up to now is 405.5 secs Computing kpt #: 86 total cpu time spent up to now is 409.3 secs Computing kpt #: 87 total cpu time spent up to now is 413.0 secs Computing kpt #: 88 total cpu time spent up to now is 416.8 secs Computing kpt #: 89 total cpu time spent up to now is 420.7 secs Computing kpt #: 90 total cpu time spent up to now is 424.5 secs Computing kpt #: 91 total cpu time spent up to now is 428.2 secs Computing kpt #: 92 total cpu time spent up to now is 432.1 secs Computing kpt #: 93 total cpu time spent up to now is 435.8 secs Computing kpt #: 94 total cpu time spent up to now is 439.4 secs Computing kpt #: 95 total cpu time spent up to now is 443.3 secs Computing kpt #: 96 total cpu time spent up to now is 446.8 secs Computing kpt #: 97 total cpu time spent up to now is 450.5 secs Computing kpt #: 98 total cpu time spent up to now is 454.2 secs Computing kpt #: 99 total cpu time spent up to now is 457.9 secs Computing kpt #: 100 total cpu time spent up to now is 461.5 secs Computing kpt #: 101 total cpu time spent up to now is 465.9 secs Computing kpt #: 102 total cpu time spent up to now is 470.0 secs Computing kpt #: 103 total cpu time spent up to now is 474.5 secs Computing kpt #: 104 total cpu time spent up to now is 479.3 secs Computing kpt #: 105 total cpu time spent up to now is 483.6 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 489.9 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 496.6 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 503.0 secs Computing kpt #: 109 total cpu time spent up to now is 507.2 secs Computing kpt #: 110 total cpu time spent up to now is 511.5 secs Computing kpt #: 111 total cpu time spent up to now is 515.9 secs Computing kpt #: 112 total cpu time spent up to now is 519.6 secs Computing kpt #: 113 total cpu time spent up to now is 523.3 secs Computing kpt #: 114 total cpu time spent up to now is 527.1 secs Computing kpt #: 115 total cpu time spent up to now is 531.2 secs Computing kpt #: 116 total cpu time spent up to now is 534.9 secs Computing kpt #: 117 total cpu time spent up to now is 538.6 secs Computing kpt #: 118 total cpu time spent up to now is 542.2 secs Computing kpt #: 119 total cpu time spent up to now is 545.8 secs Computing kpt #: 120 total cpu time spent up to now is 549.3 secs Computing kpt #: 121 total cpu time spent up to now is 552.9 secs Computing kpt #: 122 total cpu time spent up to now is 556.4 secs Computing kpt #: 123 total cpu time spent up to now is 559.9 secs Computing kpt #: 124 total cpu time spent up to now is 563.7 secs Computing kpt #: 125 total cpu time spent up to now is 567.4 secs Computing kpt #: 126 total cpu time spent up to now is 571.8 secs Computing kpt #: 127 total cpu time spent up to now is 575.6 secs Computing kpt #: 128 total cpu time spent up to now is 579.3 secs Computing kpt #: 129 total cpu time spent up to now is 583.2 secs Computing kpt #: 130 total cpu time spent up to now is 587.4 secs Computing kpt #: 131 total cpu time spent up to now is 591.4 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 598.2 secs Computing kpt #: 133 total cpu time spent up to now is 605.0 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 611.2 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 617.4 secs Computing kpt #: 136 total cpu time spent up to now is 622.3 secs Computing kpt #: 137 total cpu time spent up to now is 628.6 secs Computing kpt #: 138 total cpu time spent up to now is 633.8 secs Computing kpt #: 139 total cpu time spent up to now is 638.7 secs Computing kpt #: 140 total cpu time spent up to now is 643.4 secs Computing kpt #: 141 total cpu time spent up to now is 649.1 secs Computing kpt #: 142 total cpu time spent up to now is 654.3 secs Computing kpt #: 143 total cpu time spent up to now is 660.4 secs Computing kpt #: 144 total cpu time spent up to now is 664.6 secs Computing kpt #: 145 total cpu time spent up to now is 670.2 secs Computing kpt #: 146 total cpu time spent up to now is 675.7 secs Computing kpt #: 147 total cpu time spent up to now is 679.8 secs Computing kpt #: 148 total cpu time spent up to now is 684.0 secs Computing kpt #: 149 total cpu time spent up to now is 687.9 secs Computing kpt #: 150 total cpu time spent up to now is 691.7 secs Computing kpt #: 151 total cpu time spent up to now is 695.6 secs Computing kpt #: 152 total cpu time spent up to now is 699.6 secs Computing kpt #: 153 total cpu time spent up to now is 703.3 secs Computing kpt #: 154 total cpu time spent up to now is 707.2 secs Computing kpt #: 155 total cpu time spent up to now is 711.0 secs Computing kpt #: 156 total cpu time spent up to now is 714.8 secs Computing kpt #: 157 total cpu time spent up to now is 718.7 secs Computing kpt #: 158 total cpu time spent up to now is 722.5 secs Computing kpt #: 159 total cpu time spent up to now is 726.6 secs Computing kpt #: 160 total cpu time spent up to now is 730.5 secs Computing kpt #: 161 total cpu time spent up to now is 734.4 secs Computing kpt #: 162 total cpu time spent up to now is 739.0 secs Computing kpt #: 163 total cpu time spent up to now is 742.9 secs Computing kpt #: 164 total cpu time spent up to now is 746.7 secs Computing kpt #: 165 total cpu time spent up to now is 751.9 secs Computing kpt #: 166 total cpu time spent up to now is 756.0 secs Computing kpt #: 167 total cpu time spent up to now is 760.1 secs Computing kpt #: 168 total cpu time spent up to now is 764.0 secs Computing kpt #: 169 total cpu time spent up to now is 768.1 secs Computing kpt #: 170 total cpu time spent up to now is 771.9 secs Computing kpt #: 171 total cpu time spent up to now is 775.7 secs Computing kpt #: 172 total cpu time spent up to now is 779.4 secs Computing kpt #: 173 total cpu time spent up to now is 783.1 secs Computing kpt #: 174 total cpu time spent up to now is 786.7 secs Computing kpt #: 175 total cpu time spent up to now is 790.4 secs Computing kpt #: 176 total cpu time spent up to now is 794.1 secs Computing kpt #: 177 total cpu time spent up to now is 798.1 secs Computing kpt #: 178 total cpu time spent up to now is 802.2 secs Computing kpt #: 179 total cpu time spent up to now is 806.2 secs Computing kpt #: 180 total cpu time spent up to now is 810.2 secs Computing kpt #: 181 total cpu time spent up to now is 814.7 secs Computing kpt #: 182 total cpu time spent up to now is 818.8 secs Computing kpt #: 183 total cpu time spent up to now is 822.8 secs Computing kpt #: 184 total cpu time spent up to now is 827.2 secs Computing kpt #: 185 total cpu time spent up to now is 831.2 secs Computing kpt #: 186 total cpu time spent up to now is 835.3 secs Computing kpt #: 187 total cpu time spent up to now is 839.5 secs Computing kpt #: 188 total cpu time spent up to now is 844.0 secs Computing kpt #: 189 total cpu time spent up to now is 848.2 secs Computing kpt #: 190 total cpu time spent up to now is 853.4 secs Computing kpt #: 191 total cpu time spent up to now is 859.5 secs Computing kpt #: 192 total cpu time spent up to now is 863.8 secs Computing kpt #: 193 total cpu time spent up to now is 869.3 secs Computing kpt #: 194 total cpu time spent up to now is 875.2 secs Computing kpt #: 195 total cpu time spent up to now is 879.6 secs Computing kpt #: 196 total cpu time spent up to now is 884.1 secs Computing kpt #: 197 total cpu time spent up to now is 888.5 secs Computing kpt #: 198 total cpu time spent up to now is 894.0 secs Computing kpt #: 199 total cpu time spent up to now is 898.6 secs Computing kpt #: 200 total cpu time spent up to now is 902.7 secs Computing kpt #: 201 total cpu time spent up to now is 906.8 secs Computing kpt #: 202 total cpu time spent up to now is 910.8 secs Computing kpt #: 203 total cpu time spent up to now is 914.8 secs Computing kpt #: 204 total cpu time spent up to now is 918.9 secs Computing kpt #: 205 total cpu time spent up to now is 923.2 secs Computing kpt #: 206 total cpu time spent up to now is 926.9 secs Computing kpt #: 207 total cpu time spent up to now is 931.1 secs Computing kpt #: 208 total cpu time spent up to now is 934.7 secs Computing kpt #: 209 total cpu time spent up to now is 938.8 secs Computing kpt #: 210 total cpu time spent up to now is 942.5 secs Computing kpt #: 211 total cpu time spent up to now is 946.2 secs Computing kpt #: 212 total cpu time spent up to now is 950.5 secs Computing kpt #: 213 total cpu time spent up to now is 953.9 secs Computing kpt #: 214 total cpu time spent up to now is 957.6 secs Computing kpt #: 215 total cpu time spent up to now is 961.4 secs Computing kpt #: 216 total cpu time spent up to now is 965.0 secs Computing kpt #: 217 total cpu time spent up to now is 969.4 secs Computing kpt #: 218 total cpu time spent up to now is 972.9 secs Computing kpt #: 219 total cpu time spent up to now is 977.2 secs Computing kpt #: 220 total cpu time spent up to now is 981.9 secs Computing kpt #: 221 total cpu time spent up to now is 985.7 secs Computing kpt #: 222 total cpu time spent up to now is 990.3 secs Computing kpt #: 223 total cpu time spent up to now is 994.4 secs Computing kpt #: 224 total cpu time spent up to now is 998.4 secs Computing kpt #: 225 total cpu time spent up to now is 1002.3 secs Computing kpt #: 226 total cpu time spent up to now is 1006.3 secs Computing kpt #: 227 total cpu time spent up to now is 1010.1 secs Computing kpt #: 228 total cpu time spent up to now is 1014.0 secs Computing kpt #: 229 total cpu time spent up to now is 1018.0 secs Computing kpt #: 230 total cpu time spent up to now is 1021.8 secs Computing kpt #: 231 total cpu time spent up to now is 1025.8 secs Computing kpt #: 232 total cpu time spent up to now is 1029.6 secs Computing kpt #: 233 total cpu time spent up to now is 1033.4 secs Computing kpt #: 234 total cpu time spent up to now is 1037.2 secs Computing kpt #: 235 total cpu time spent up to now is 1041.0 secs Computing kpt #: 236 total cpu time spent up to now is 1045.0 secs Computing kpt #: 237 total cpu time spent up to now is 1048.7 secs Computing kpt #: 238 total cpu time spent up to now is 1053.1 secs Computing kpt #: 239 total cpu time spent up to now is 1057.3 secs Computing kpt #: 240 total cpu time spent up to now is 1061.4 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1067.9 secs Computing kpt #: 242 total cpu time spent up to now is 1073.8 secs Computing kpt #: 243 total cpu time spent up to now is 1078.2 secs Computing kpt #: 244 total cpu time spent up to now is 1084.1 secs Computing kpt #: 245 total cpu time spent up to now is 1089.4 secs Computing kpt #: 246 total cpu time spent up to now is 1093.8 secs Computing kpt #: 247 total cpu time spent up to now is 1097.9 secs Computing kpt #: 248 total cpu time spent up to now is 1101.9 secs Computing kpt #: 249 total cpu time spent up to now is 1106.7 secs Computing kpt #: 250 total cpu time spent up to now is 1110.8 secs Computing kpt #: 251 total cpu time spent up to now is 1114.7 secs Computing kpt #: 252 total cpu time spent up to now is 1118.7 secs Computing kpt #: 253 total cpu time spent up to now is 1122.8 secs Computing kpt #: 254 total cpu time spent up to now is 1126.6 secs Computing kpt #: 255 total cpu time spent up to now is 1130.6 secs Computing kpt #: 256 total cpu time spent up to now is 1134.6 secs Computing kpt #: 257 total cpu time spent up to now is 1138.8 secs Computing kpt #: 258 total cpu time spent up to now is 1142.9 secs Computing kpt #: 259 total cpu time spent up to now is 1147.6 secs Computing kpt #: 260 total cpu time spent up to now is 1152.1 secs Computing kpt #: 261 total cpu time spent up to now is 1157.2 secs Computing kpt #: 262 total cpu time spent up to now is 1161.8 secs Computing kpt #: 263 total cpu time spent up to now is 1166.6 secs Computing kpt #: 264 total cpu time spent up to now is 1171.6 secs Computing kpt #: 265 total cpu time spent up to now is 1175.8 secs Computing kpt #: 266 total cpu time spent up to now is 1181.0 secs Computing kpt #: 267 total cpu time spent up to now is 1186.3 secs Computing kpt #: 268 total cpu time spent up to now is 1190.7 secs Computing kpt #: 269 total cpu time spent up to now is 1194.9 secs Computing kpt #: 270 total cpu time spent up to now is 1200.5 secs Computing kpt #: 271 total cpu time spent up to now is 1205.6 secs Computing kpt #: 272 total cpu time spent up to now is 1209.7 secs Computing kpt #: 273 total cpu time spent up to now is 1215.1 secs Computing kpt #: 274 total cpu time spent up to now is 1219.2 secs Computing kpt #: 275 total cpu time spent up to now is 1223.4 secs Computing kpt #: 276 total cpu time spent up to now is 1227.4 secs Computing kpt #: 277 total cpu time spent up to now is 1232.7 secs Computing kpt #: 278 total cpu time spent up to now is 1237.7 secs Computing kpt #: 279 total cpu time spent up to now is 1241.9 secs Computing kpt #: 280 total cpu time spent up to now is 1247.2 secs Computing kpt #: 281 total cpu time spent up to now is 1251.4 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1257.7 secs Computing kpt #: 283 total cpu time spent up to now is 1262.7 secs Computing kpt #: 284 total cpu time spent up to now is 1266.7 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1273.0 secs Computing kpt #: 286 total cpu time spent up to now is 1277.1 secs Computing kpt #: 287 total cpu time spent up to now is 1281.6 secs Computing kpt #: 288 total cpu time spent up to now is 1286.2 secs Computing kpt #: 289 total cpu time spent up to now is 1290.6 secs Computing kpt #: 290 total cpu time spent up to now is 1295.2 secs Computing kpt #: 291 total cpu time spent up to now is 1299.3 secs Computing kpt #: 292 total cpu time spent up to now is 1303.5 secs Computing kpt #: 293 total cpu time spent up to now is 1308.4 secs Computing kpt #: 294 total cpu time spent up to now is 1340.3 secs Computing kpt #: 295 total cpu time spent up to now is 1377.6 secs Computing kpt #: 296 total cpu time spent up to now is 1381.4 secs Computing kpt #: 297 total cpu time spent up to now is 1385.3 secs Computing kpt #: 298 total cpu time spent up to now is 1389.8 secs Computing kpt #: 299 total cpu time spent up to now is 1393.8 secs Computing kpt #: 300 total cpu time spent up to now is 1397.6 secs Computing kpt #: 301 total cpu time spent up to now is 1401.6 secs Computing kpt #: 302 total cpu time spent up to now is 1405.5 secs Computing kpt #: 303 total cpu time spent up to now is 1409.4 secs Computing kpt #: 304 total cpu time spent up to now is 1413.2 secs Computing kpt #: 305 total cpu time spent up to now is 1416.9 secs Computing kpt #: 306 total cpu time spent up to now is 1420.8 secs Computing kpt #: 307 total cpu time spent up to now is 1424.6 secs Computing kpt #: 308 total cpu time spent up to now is 1428.3 secs Computing kpt #: 309 total cpu time spent up to now is 1432.4 secs Computing kpt #: 310 total cpu time spent up to now is 1437.2 secs ethr = 1.79E-11, avg # of iterations = 57.6 total cpu time spent up to now is 1437.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3777 PWs) bands (ev): -30.5802 -30.5802 -14.0893 -14.0893 -12.5205 -12.5205 -12.1417 -12.1417 -11.9766 -11.9766 -11.0733 -11.0733 -11.0536 -11.0536 -10.4744 -10.4744 -9.8584 -9.8584 -9.8109 -9.8109 -4.6324 -4.6324 -1.7177 -1.7177 0.4353 0.4353 0.5560 0.5560 0.5856 0.5856 1.8675 1.8675 1.9138 1.9138 3.6674 3.6674 4.1509 4.1509 4.2188 4.2188 4.2217 4.2217 4.7923 4.7923 4.8093 4.8093 5.7142 5.7142 5.7249 5.7249 5.7350 5.7350 5.8686 5.8686 5.8938 5.8938 9.0543 9.0543 9.9280 9.9280 13.6007 13.6007 14.3930 14.3930 14.5272 14.5272 14.7540 14.7544 k = 0.0132 0.0076-0.0000 ( 3789 PWs) bands (ev): -30.5802 -30.5802 -14.0886 -14.0886 -12.5202 -12.5202 -12.1418 -12.1418 -11.9769 -11.9769 -11.0739 -11.0739 -11.0544 -11.0544 -10.4738 -10.4738 -9.8591 -9.8591 -9.8116 -9.8116 -4.6304 -4.6304 -1.7177 -1.7177 0.4347 0.4347 0.5565 0.5565 0.5866 0.5866 1.8684 1.8684 1.9148 1.9148 3.6700 3.6700 4.1258 4.1258 4.2197 4.2197 4.2440 4.2440 4.7918 4.7918 4.8088 4.8088 5.7022 5.7022 5.7229 5.7229 5.7443 5.7443 5.8682 5.8682 5.8931 5.8931 9.0575 9.0575 9.9284 9.9284 13.6011 13.6011 14.3941 14.3941 14.5277 14.5277 14.7527 14.7527 k = 0.0263 0.0152-0.0000 ( 3785 PWs) bands (ev): -30.5802 -30.5802 -14.0866 -14.0866 -12.5193 -12.5193 -12.1420 -12.1420 -11.9776 -11.9776 -11.0760 -11.0760 -11.0565 -11.0565 -10.4720 -10.4720 -9.8610 -9.8610 -9.8136 -9.8136 -4.6245 -4.6245 -1.7178 -1.7178 0.4331 0.4331 0.5581 0.5581 0.5899 0.5899 1.8700 1.8700 1.9192 1.9192 3.6778 3.6778 4.0811 4.0811 4.2183 4.2183 4.2842 4.2842 4.7902 4.7902 4.8073 4.8073 5.6815 5.6815 5.7159 5.7159 5.7576 5.7576 5.8659 5.8659 5.8925 5.8925 9.0670 9.0670 9.9297 9.9297 13.6022 13.6022 14.3973 14.3973 14.5292 14.5292 14.7484 14.7484 k = 0.0395 0.0228-0.0000 ( 3779 PWs) bands (ev): -30.5802 -30.5802 -14.0833 -14.0833 -12.5176 -12.5176 -12.1423 -12.1423 -11.9788 -11.9788 -11.0800 -11.0800 -11.0595 -11.0595 -10.4690 -10.4690 -9.8641 -9.8641 -9.8169 -9.8169 -4.6146 -4.6146 -1.7180 -1.7180 0.4301 0.4301 0.5610 0.5610 0.5955 0.5955 1.8698 1.8698 1.9293 1.9293 3.6907 3.6907 4.0322 4.0322 4.2159 4.2159 4.3258 4.3258 4.7871 4.7871 4.8054 4.8054 5.6579 5.6579 5.7034 5.7034 5.7694 5.7694 5.8596 5.8596 5.8946 5.8946 9.0826 9.0826 9.9319 9.9319 13.6041 13.6041 14.4019 14.4019 14.5318 14.5318 14.7414 14.7414 k = 0.0526 0.0304-0.0000 ( 3773 PWs) bands (ev): -30.5802 -30.5802 -14.0787 -14.0787 -12.5153 -12.5153 -12.1428 -12.1428 -11.9804 -11.9804 -11.0867 -11.0867 -11.0625 -11.0625 -10.4649 -10.4649 -9.8685 -9.8685 -9.8216 -9.8216 -4.6009 -4.6009 -1.7183 -1.7183 0.4255 0.4255 0.5654 0.5654 0.6035 0.6035 1.8659 1.8659 1.9468 1.9468 3.7083 3.7083 3.9814 3.9814 4.2127 4.2127 4.3661 4.3661 4.7822 4.7822 4.8038 4.8038 5.6320 5.6320 5.6844 5.6844 5.7796 5.7796 5.8498 5.8498 5.8996 5.8996 9.1038 9.1038 9.9349 9.9349 13.6069 13.6069 14.4067 14.4067 14.5354 14.5354 14.7322 14.7322 k = 0.0658 0.0380-0.0000 ( 3761 PWs) bands (ev): -30.5802 -30.5802 -14.0728 -14.0728 -12.5124 -12.5124 -12.1434 -12.1434 -11.9825 -11.9825 -11.0961 -11.0961 -11.0652 -11.0652 -10.4599 -10.4599 -9.8741 -9.8741 -9.8274 -9.8274 -4.5835 -4.5835 -1.7186 -1.7186 0.4192 0.4192 0.5717 0.5717 0.6140 0.6140 1.8588 1.8588 1.9710 1.9710 3.7302 3.7302 3.9295 3.9295 4.2088 4.2088 4.4041 4.4041 4.7751 4.7751 4.8029 4.8029 5.6043 5.6043 5.6580 5.6580 5.7883 5.7883 5.8387 5.8387 5.9065 5.9065 9.1304 9.1304 9.9386 9.9386 13.6108 13.6108 14.4100 14.4100 14.5400 14.5400 14.7214 14.7214 k = 0.0789 0.0456-0.0000 ( 3749 PWs) bands (ev): -30.5802 -30.5802 -14.0657 -14.0657 -12.5089 -12.5089 -12.1442 -12.1442 -11.9850 -11.9850 -11.1082 -11.1082 -11.0675 -11.0675 -10.4540 -10.4540 -9.8808 -9.8808 -9.8345 -9.8345 -4.5623 -4.5623 -1.7192 -1.7192 0.4112 0.4112 0.5801 0.5801 0.6271 0.6271 1.8493 1.8493 2.0010 2.0010 3.7560 3.7560 3.8770 3.8770 4.2044 4.2044 4.4392 4.4392 4.7659 4.7659 4.8033 4.8033 5.5751 5.5751 5.6238 5.6238 5.7957 5.7957 5.8280 5.8280 5.9140 5.9140 9.1616 9.1616 9.9429 9.9429 13.6158 13.6158 14.4095 14.4095 14.5454 14.5454 14.7091 14.7091 k = 0.0921 0.0532-0.0000 ( 3753 PWs) bands (ev): -30.5801 -30.5801 -14.0572 -14.0572 -12.5048 -12.5048 -12.1453 -12.1453 -11.9880 -11.9880 -11.1227 -11.1227 -11.0696 -11.0696 -10.4475 -10.4475 -9.8886 -9.8886 -9.8427 -9.8427 -4.5376 -4.5376 -1.7199 -1.7199 0.4017 0.4017 0.5907 0.5907 0.6427 0.6427 1.8379 1.8379 2.0358 2.0358 3.7840 3.7840 3.8250 3.8250 4.1998 4.1998 4.4707 4.4707 4.7548 4.7548 4.8053 4.8053 5.5445 5.5445 5.5821 5.5821 5.8012 5.8012 5.8194 5.8194 5.9216 5.9216 9.1970 9.1970 9.9479 9.9479 13.6220 13.6220 14.4030 14.4030 14.5510 14.5510 14.6951 14.6951 k = 0.1053 0.0608-0.0000 ( 3753 PWs) bands (ev): -30.5801 -30.5801 -14.0475 -14.0475 -12.5002 -12.5002 -12.1466 -12.1466 -11.9915 -11.9915 -11.1391 -11.1391 -11.0715 -11.0715 -10.4405 -10.4405 -9.8975 -9.8975 -9.8519 -9.8519 -4.5094 -4.5094 -1.7208 -1.7208 0.3911 0.3911 0.6035 0.6035 0.6608 0.6608 1.8253 1.8253 2.0746 2.0746 3.7674 3.7674 3.8199 3.8199 4.1954 4.1954 4.4980 4.4980 4.7419 4.7419 4.8092 4.8092 5.5127 5.5127 5.5338 5.5338 5.8007 5.8007 5.8170 5.8170 5.9289 5.9289 9.2358 9.2358 9.9532 9.9532 13.6296 13.6296 14.3886 14.3886 14.5556 14.5556 14.6802 14.6802 k = 0.1184 0.0684-0.0000 ( 3755 PWs) bands (ev): -30.5801 -30.5801 -14.0365 -14.0365 -12.4951 -12.4951 -12.1481 -12.1481 -11.9954 -11.9954 -11.1574 -11.1574 -11.0731 -11.0731 -10.4332 -10.4332 -9.9074 -9.9074 -9.8619 -9.8619 -4.4780 -4.4780 -1.7220 -1.7220 0.3796 0.3796 0.6182 0.6182 0.6813 0.6813 1.8117 1.8117 2.1168 2.1168 3.7145 3.7145 3.8525 3.8525 4.1918 4.1918 4.5204 4.5204 4.7273 4.7273 4.8154 4.8154 5.4755 5.4755 5.4845 5.4845 5.7938 5.7938 5.8214 5.8214 5.9357 5.9357 9.2775 9.2775 9.9589 9.9589 13.6387 13.6387 14.3657 14.3657 14.5578 14.5578 14.6658 14.6658 k = 0.1316 0.0760-0.0000 ( 3751 PWs) bands (ev): -30.5801 -30.5801 -14.0244 -14.0244 -12.4896 -12.4896 -12.1499 -12.1499 -11.9998 -11.9998 -11.1770 -11.1770 -11.0746 -11.0746 -10.4259 -10.4259 -9.9182 -9.9182 -9.8727 -9.8727 -4.4435 -4.4435 -1.7235 -1.7235 0.3676 0.3676 0.6349 0.6349 0.7041 0.7041 1.7976 1.7976 2.1615 2.1615 3.6610 3.6610 3.8862 3.8862 4.1901 4.1901 4.5377 4.5377 4.7112 4.7112 4.8241 4.8241 5.4187 5.4187 5.4497 5.4497 5.7854 5.7854 5.8274 5.8274 5.9417 5.9417 9.3214 9.3214 9.9649 9.9649 13.6492 13.6492 14.3348 14.3348 14.5560 14.5560 14.6538 14.6538 k = 0.1447 0.0836-0.0000 ( 3755 PWs) bands (ev): -30.5800 -30.5800 -14.0110 -14.0110 -12.4837 -12.4837 -12.1520 -12.1520 -12.0047 -12.0047 -11.1978 -11.1978 -11.0758 -11.0758 -10.4187 -10.4187 -9.9298 -9.9298 -9.8840 -9.8840 -4.4062 -4.4062 -1.7253 -1.7253 0.3556 0.3556 0.6533 0.6533 0.7291 0.7291 1.7832 1.7832 2.2082 2.2082 3.6078 3.6078 3.9185 3.9185 4.1918 4.1918 4.5499 4.5499 4.6937 4.6937 4.8349 4.8349 5.3559 5.3559 5.4173 5.4173 5.7765 5.7765 5.8336 5.8336 5.9470 5.9470 9.3669 9.3669 9.9710 9.9710 13.6612 13.6612 14.2972 14.2972 14.5490 14.5490 14.6462 14.6462 k = 0.1579 0.0912-0.0000 ( 3763 PWs) bands (ev): -30.5800 -30.5800 -13.9965 -13.9965 -12.4774 -12.4774 -12.1543 -12.1543 -12.0103 -12.0103 -11.2195 -11.2195 -11.0767 -11.0767 -10.4121 -10.4121 -9.9424 -9.9424 -9.8956 -9.8956 -4.3661 -4.3661 -1.7275 -1.7275 0.3438 0.3438 0.6733 0.6733 0.7561 0.7561 1.7688 1.7688 2.2559 2.2559 3.5555 3.5555 3.9468 3.9468 4.1990 4.1990 4.5572 4.5572 4.6747 4.6747 4.8472 4.8472 5.2902 5.2902 5.3857 5.3857 5.7673 5.7673 5.8399 5.8399 5.9517 5.9517 9.4134 9.4134 9.9771 9.9771 13.6748 13.6748 14.2548 14.2548 14.5367 14.5367 14.6435 14.6435 k = 0.1711 0.0988-0.0000 ( 3763 PWs) bands (ev): -30.5800 -30.5800 -13.9808 -13.9808 -12.4709 -12.4709 -12.1568 -12.1568 -12.0166 -12.0166 -11.2418 -11.2418 -11.0772 -11.0772 -10.4061 -10.4061 -9.9557 -9.9557 -9.9072 -9.9072 -4.3235 -4.3235 -1.7302 -1.7302 0.3326 0.3326 0.6948 0.6948 0.7849 0.7849 1.7547 1.7547 2.3039 2.3039 3.5045 3.5045 3.9684 3.9684 4.2140 4.2140 4.5605 4.5605 4.6543 4.6543 4.8598 4.8598 5.2227 5.2227 5.3554 5.3554 5.7576 5.7576 5.8458 5.8458 5.9559 5.9559 9.4603 9.4603 9.9831 9.9831 13.6897 13.6897 14.2089 14.2089 14.5203 14.5203 14.6449 14.6449 k = 0.1842 0.1064-0.0000 ( 3759 PWs) bands (ev): -30.5799 -30.5799 -13.9641 -13.9641 -12.4642 -12.4642 -12.1595 -12.1595 -12.0236 -12.0236 -11.2642 -11.2642 -11.0773 -11.0773 -10.4012 -10.4012 -9.9699 -9.9699 -9.9184 -9.9184 -4.2787 -4.2787 -1.7334 -1.7334 0.3220 0.3220 0.7178 0.7178 0.8153 0.8153 1.7410 1.7410 2.3511 2.3511 3.4557 3.4557 3.9816 3.9816 4.2380 4.2380 4.5604 4.5604 4.6325 4.6325 4.8713 4.8713 5.1543 5.1543 5.3273 5.3273 5.7476 5.7476 5.8512 5.8512 5.9598 5.9598 9.5070 9.5070 9.9890 9.9890 13.7060 13.7060 14.1610 14.1610 14.5014 14.5014 14.6493 14.6493 k = 0.1974 0.1140-0.0000 ( 3753 PWs) bands (ev): -30.5799 -30.5799 -13.9464 -13.9464 -12.4574 -12.4574 -12.1623 -12.1623 -12.0317 -12.0317 -11.2866 -11.2866 -11.0770 -11.0770 -10.3976 -10.3976 -9.9849 -9.9849 -9.9290 -9.9290 -4.2319 -4.2319 -1.7370 -1.7370 0.3124 0.3124 0.7421 0.7421 0.8470 0.8470 1.7281 1.7281 2.3964 2.3964 3.4098 3.4098 3.9867 3.9867 4.2703 4.2703 4.5577 4.5577 4.6093 4.6093 4.8804 4.8804 5.0862 5.0862 5.3022 5.3022 5.7370 5.7370 5.8558 5.8558 5.9637 5.9637 9.5531 9.5531 9.9948 9.9948 13.7233 13.7233 14.1123 14.1123 14.4811 14.4811 14.6554 14.6554 k = 0.2105 0.1215-0.0000 ( 3757 PWs) bands (ev): -30.5799 -30.5799 -13.9276 -13.9276 -12.4506 -12.4506 -12.1653 -12.1653 -12.0408 -12.0408 -11.3086 -11.3086 -11.0762 -11.0762 -10.3955 -10.3955 -10.0007 -10.0007 -9.9387 -9.9387 -4.1833 -4.1833 -1.7413 -1.7413 0.3038 0.3038 0.7676 0.7676 0.8798 0.8798 1.7161 1.7161 2.4383 2.4383 3.3680 3.3680 3.9852 3.9852 4.3086 4.3086 4.5530 4.5530 4.5846 4.5846 4.8855 4.8855 5.0196 5.0196 5.2810 5.2810 5.7259 5.7259 5.8593 5.8593 5.9680 5.9680 9.5978 9.5978 10.0006 10.0006 13.7414 13.7414 14.0638 14.0638 14.4601 14.4601 14.6627 14.6627 k = 0.2237 0.1291-0.0000 ( 3765 PWs) bands (ev): -30.5798 -30.5798 -13.9080 -13.9080 -12.4439 -12.4439 -12.1682 -12.1682 -12.0512 -12.0512 -11.3298 -11.3298 -11.0749 -11.0749 -10.3953 -10.3953 -10.0172 -10.0172 -9.9471 -9.9471 -4.1332 -4.1332 -1.7461 -1.7461 0.2963 0.2963 0.7942 0.7942 0.9133 0.9133 1.7053 1.7053 2.4753 2.4753 3.3317 3.3317 3.9789 3.9789 4.3499 4.3499 4.5462 4.5462 4.5593 4.5593 4.8854 4.8854 4.9561 4.9561 5.2646 5.2646 5.7142 5.7142 5.8613 5.8613 5.9728 5.9728 9.6407 9.6407 10.0064 10.0064 13.7595 13.7595 14.0167 14.0167 14.4390 14.4390 14.6707 14.6707 k = 0.2368 0.1367-0.0000 ( 3761 PWs) bands (ev): -30.5798 -30.5798 -13.8874 -13.8874 -12.4374 -12.4374 -12.1712 -12.1712 -12.0628 -12.0628 -11.3499 -11.3499 -11.0730 -11.0730 -10.3971 -10.3971 -10.0343 -10.0343 -9.9541 -9.9541 -4.0819 -4.0819 -1.7516 -1.7516 0.2900 0.2900 0.8218 0.8218 0.9473 0.9473 1.6958 1.6958 2.5055 2.5055 3.3025 3.3025 3.9694 3.9694 4.3905 4.3905 4.5292 4.5292 4.5429 4.5429 4.8783 4.8783 4.8987 4.8987 5.2534 5.2534 5.7021 5.7021 5.8618 5.8618 5.9785 5.9785 9.6811 9.6811 10.0126 10.0126 13.7765 13.7765 13.9728 13.9728 14.4181 14.4181 14.6791 14.6791 k = 0.2500 0.1443-0.0000 ( 3765 PWs) bands (ev): -30.5798 -30.5798 -13.8661 -13.8661 -12.4311 -12.4311 -12.1741 -12.1741 -12.0759 -12.0759 -11.3687 -11.3687 -11.0705 -11.0705 -10.4011 -10.4011 -10.0519 -10.0519 -9.9595 -9.9595 -4.0297 -4.0297 -1.7576 -1.7576 0.2850 0.2850 0.8503 0.8503 0.9813 0.9813 1.6878 1.6878 2.5268 2.5268 3.2821 3.2821 3.9575 3.9575 4.4221 4.4221 4.5077 4.5077 4.5349 4.5349 4.8438 4.8438 4.8706 4.8706 5.2472 5.2472 5.6894 5.6894 5.8605 5.8605 5.9852 5.9852 9.7182 9.7182 10.0196 10.0196 13.7890 13.7890 13.9355 13.9355 14.3977 14.3977 14.6876 14.6876 k = 0.2632 0.1519-0.0000 ( 3763 PWs) bands (ev): -30.5797 -30.5797 -13.8441 -13.8441 -12.4253 -12.4253 -12.1769 -12.1769 -12.0902 -12.0902 -11.3859 -11.3859 -11.0675 -11.0675 -10.4073 -10.4073 -10.0698 -10.0698 -9.9633 -9.9633 -3.9768 -3.9768 -1.7644 -1.7644 0.2813 0.2813 0.8797 0.8797 1.0149 1.0149 1.6816 1.6816 2.5376 2.5376 3.2720 3.2720 3.9438 3.9438 4.4238 4.4238 4.5069 4.5069 4.5277 4.5277 4.8043 4.8043 4.8533 4.8533 5.2455 5.2455 5.6761 5.6761 5.8576 5.8576 5.9928 5.9928 9.7513 9.7513 10.0279 10.0279 13.7903 13.7903 13.9119 13.9119 14.3778 14.3778 14.6960 14.6960 k = 0.2763 0.1595-0.0000 ( 3771 PWs) bands (ev): -30.5797 -30.5797 -13.8214 -13.8214 -12.4199 -12.4199 -12.1799 -12.1799 -12.1058 -12.1058 -11.4013 -11.4013 -11.0638 -11.0638 -10.4156 -10.4156 -10.0880 -10.0880 -9.9655 -9.9655 -3.9236 -3.9236 -1.7717 -1.7717 0.2787 0.2787 0.9097 0.9097 1.0477 1.0477 1.6775 1.6775 2.5372 2.5372 3.2727 3.2727 3.9285 3.9285 4.3953 4.3953 4.5202 4.5202 4.5232 4.5232 4.7806 4.7806 4.8326 4.8326 5.2471 5.2471 5.6624 5.6624 5.8532 5.8532 6.0013 6.0013 9.7795 9.7795 10.0381 10.0381 13.7736 13.7736 13.9087 13.9087 14.3588 14.3588 14.7036 14.7036 k = 0.2895 0.1671-0.0000 ( 3777 PWs) bands (ev): -30.5796 -30.5796 -13.7983 -13.7983 -12.4152 -12.4152 -12.1835 -12.1835 -12.1219 -12.1219 -11.4149 -11.4149 -11.0594 -11.0594 -10.4261 -10.4261 -10.1062 -10.1062 -9.9662 -9.9662 -3.8703 -3.8703 -1.7796 -1.7796 0.2774 0.2774 0.9404 0.9404 1.0793 1.0793 1.6756 1.6756 2.5259 2.5259 3.2837 3.2837 3.9116 3.9116 4.3563 4.3563 4.5141 4.5141 4.5309 4.5309 4.7782 4.7782 4.8091 4.8091 5.2509 5.2509 5.6482 5.6482 5.8475 5.8475 6.0105 6.0105 9.8020 9.8020 10.0509 10.0509 13.7441 13.7441 13.9209 13.9209 14.3407 14.3407 14.7096 14.7096 k = 0.3026 0.1747-0.0000 ( 3777 PWs) bands (ev): -30.5796 -30.5796 -13.7747 -13.7747 -12.4110 -12.4110 -12.1885 -12.1885 -12.1374 -12.1374 -11.4265 -11.4265 -11.0545 -11.0545 -10.4384 -10.4384 -10.1243 -10.1243 -9.9656 -9.9656 -3.8173 -3.8173 -1.7882 -1.7882 0.2772 0.2772 0.9715 0.9715 1.1091 1.1091 1.6762 1.6762 2.5050 2.5050 3.3034 3.3034 3.8929 3.8929 4.3140 4.3140 4.5082 4.5082 4.5251 4.5251 4.7828 4.7828 4.7976 4.7976 5.2558 5.2558 5.6336 5.6336 5.8408 5.8408 6.0202 6.0202 9.8186 9.8186 10.0666 10.0666 13.7099 13.7099 13.9402 13.9402 14.3235 14.3235 14.7126 14.7126 k = 0.3158 0.1823-0.0000 ( 3777 PWs) bands (ev): -30.5796 -30.5796 -13.7510 -13.7510 -12.4077 -12.4077 -12.1971 -12.1971 -12.1503 -12.1503 -11.4363 -11.4363 -11.0489 -11.0489 -10.4524 -10.4524 -10.1422 -10.1422 -9.9639 -9.9639 -3.7650 -3.7650 -1.7972 -1.7972 0.2780 0.2780 1.0029 1.0029 1.1368 1.1368 1.6794 1.6794 2.4763 2.4763 3.3298 3.3298 3.8722 3.8722 4.2716 4.2716 4.5027 4.5027 4.5100 4.5100 4.7570 4.7570 4.8298 4.8298 5.2610 5.2610 5.6186 5.6186 5.8334 5.8334 6.0301 6.0301 9.8294 9.8294 10.0848 10.0848 13.6750 13.6750 13.9627 13.9627 14.3075 14.3075 14.7120 14.7120 k = 0.3289 0.1899-0.0000 ( 3781 PWs) bands (ev): -30.5795 -30.5795 -13.7271 -13.7271 -12.4050 -12.4050 -12.2109 -12.2109 -12.1583 -12.1583 -11.4442 -11.4442 -11.0428 -11.0428 -10.4677 -10.4677 -10.1596 -10.1596 -9.9613 -9.9613 -3.7137 -3.7137 -1.8068 -1.8068 0.2797 0.2797 1.0344 1.0344 1.1620 1.1620 1.6855 1.6855 2.4418 2.4418 3.3607 3.3607 3.8490 3.8490 4.2312 4.2312 4.4884 4.4884 4.5003 4.5003 4.7305 4.7305 4.8698 4.8698 5.2658 5.2658 5.6033 5.6033 5.8256 5.8256 6.0402 6.0402 9.8352 9.8352 10.1051 10.1051 13.6411 13.6411 13.9865 13.9865 14.2926 14.2926 14.7086 14.7086 k = 0.3421 0.1975-0.0000 ( 3781 PWs) bands (ev): -30.5795 -30.5795 -13.7033 -13.7033 -12.4032 -12.4032 -12.2292 -12.2292 -12.1620 -12.1620 -11.4504 -11.4504 -11.0360 -11.0360 -10.4842 -10.4842 -10.1765 -10.1765 -9.9581 -9.9581 -3.6637 -3.6637 -1.8167 -1.8167 0.2823 0.2823 1.0658 1.0658 1.1844 1.1844 1.6943 1.6943 2.4033 2.4033 3.3942 3.3942 3.8230 3.8230 4.1949 4.1949 4.4667 4.4667 4.4973 4.4973 4.7044 4.7044 4.9132 4.9132 5.2698 5.2698 5.5877 5.5877 5.8175 5.8175 6.0502 6.0502 9.8367 9.8367 10.1265 10.1265 13.6088 13.6088 14.0108 14.0108 14.2789 14.2789 14.7039 14.7039 k = 0.3553 0.2051-0.0000 ( 3777 PWs) bands (ev): -30.5795 -30.5795 -13.6798 -13.6798 -12.4023 -12.4023 -12.2498 -12.2498 -12.1631 -12.1631 -11.4552 -11.4552 -11.0288 -11.0288 -10.5014 -10.5014 -10.1928 -10.1928 -9.9543 -9.9543 -3.6155 -3.6155 -1.8269 -1.8269 0.2855 0.2855 1.0968 1.0968 1.2040 1.2040 1.7057 1.7057 2.3624 2.3624 3.4286 3.4286 3.7942 3.7942 4.1638 4.1638 4.4445 4.4445 4.4959 4.4959 4.6792 4.6792 4.9576 4.9576 5.2726 5.2726 5.5719 5.5719 5.8095 5.8095 6.0600 6.0600 9.8351 9.8351 10.1483 10.1483 13.5785 13.5785 14.0350 14.0350 14.2664 14.2664 14.6986 14.6986 k = 0.3684 0.2127-0.0000 ( 3773 PWs) bands (ev): -30.5794 -30.5794 -13.6568 -13.6568 -12.4022 -12.4022 -12.2713 -12.2713 -12.1627 -12.1627 -11.4585 -11.4585 -11.0210 -11.0210 -10.5190 -10.5190 -10.2081 -10.2081 -9.9503 -9.9503 -3.5694 -3.5694 -1.8372 -1.8372 0.2893 0.2893 1.1270 1.1270 1.2210 1.2210 1.7195 1.7195 2.3202 2.3202 3.4627 3.4627 3.7628 3.7628 4.1385 4.1385 4.4225 4.4225 4.4959 4.4959 4.6553 4.6553 5.0018 5.0018 5.2741 5.2741 5.5558 5.5558 5.8018 5.8018 6.0695 6.0695 9.8312 9.8312 10.1697 10.1697 13.5504 13.5504 14.0588 14.0588 14.2552 14.2552 14.6934 14.6934 k = 0.3816 0.2203-0.0000 ( 3772 PWs) bands (ev): -30.5794 -30.5794 -13.6346 -13.6346 -12.4032 -12.4032 -12.2926 -12.2926 -12.1615 -12.1615 -11.4608 -11.4608 -11.0130 -11.0130 -10.5368 -10.5368 -10.2226 -10.2226 -9.9461 -9.9461 -3.5259 -3.5259 -1.8474 -1.8474 0.2933 0.2933 1.1559 1.1559 1.2359 1.2359 1.7351 1.7351 2.2778 2.2778 3.4953 3.4953 3.7298 3.7298 4.1191 4.1191 4.4011 4.4011 4.4972 4.4972 4.6331 4.6331 5.0448 5.0448 5.2742 5.2742 5.5395 5.5395 5.7945 5.7945 6.0784 6.0784 9.8257 9.8257 10.1900 10.1900 13.5247 13.5247 14.0818 14.0818 14.2452 14.2452 14.6883 14.6883 k = 0.3947 0.2279-0.0000 ( 3772 PWs) bands (ev): -30.5794 -30.5794 -13.6135 -13.6135 -12.4054 -12.4054 -12.3125 -12.3125 -12.1598 -12.1598 -11.4622 -11.4622 -11.0047 -11.0047 -10.5543 -10.5543 -10.2359 -10.2359 -9.9421 -9.9421 -3.4854 -3.4854 -1.8575 -1.8575 0.2976 0.2976 1.1823 1.1823 1.2497 1.2497 1.7518 1.7518 2.2363 2.2363 3.5255 3.5255 3.6962 3.6962 4.1050 4.1050 4.3805 4.3805 4.4998 4.4998 4.6126 4.6126 5.0861 5.0861 5.2729 5.2729 5.5230 5.5230 5.7878 5.7878 6.0867 6.0867 9.8193 9.8193 10.2091 10.2091 13.5015 13.5015 14.1037 14.1037 14.2365 14.2365 14.6836 14.6836 k = 0.4079 0.2355-0.0000 ( 3760 PWs) bands (ev): -30.5793 -30.5793 -13.5937 -13.5937 -12.4090 -12.4090 -12.3303 -12.3303 -12.1579 -12.1579 -11.4628 -11.4628 -10.9963 -10.9963 -10.5712 -10.5712 -10.2480 -10.2480 -9.9382 -9.9382 -3.4483 -3.4483 -1.8672 -1.8672 0.3019 0.3019 1.2049 1.2049 1.2639 1.2639 1.7689 1.7689 2.1964 2.1964 3.5526 3.5526 3.6635 3.6635 4.0955 4.0955 4.3610 4.3610 4.5034 4.5034 4.5942 4.5942 5.1254 5.1254 5.2705 5.2705 5.5064 5.5064 5.7819 5.7819 6.0943 6.0943 9.8124 9.8124 10.2264 10.2264 13.4809 13.4809 14.1239 14.1239 14.2292 14.2292 14.6794 14.6794 k = 0.4211 0.2431-0.0000 ( 3750 PWs) bands (ev): -30.5793 -30.5793 -13.5755 -13.5755 -12.4145 -12.4145 -12.3449 -12.3449 -12.1559 -12.1559 -11.4629 -11.4629 -10.9881 -10.9881 -10.5872 -10.5872 -10.2587 -10.2587 -9.9346 -9.9346 -3.4151 -3.4151 -1.8762 -1.8762 0.3060 0.3060 1.2219 1.2219 1.2800 1.2800 1.7856 1.7856 2.1590 2.1590 3.5754 3.5754 3.6337 3.6337 4.0898 4.0898 4.3427 4.3427 4.5079 4.5079 4.5781 4.5781 5.1624 5.1624 5.2672 5.2672 5.4895 5.4895 5.7767 5.7767 6.1012 6.1012 9.8056 9.8056 10.2418 10.2418 13.4628 13.4628 14.1423 14.1423 14.2233 14.2233 14.6757 14.6757 k = 0.4342 0.2507-0.0000 ( 3756 PWs) bands (ev): -30.5793 -30.5793 -13.5594 -13.5594 -12.4216 -12.4216 -12.3559 -12.3559 -12.1539 -12.1539 -11.4627 -11.4627 -10.9803 -10.9803 -10.6019 -10.6019 -10.2680 -10.2680 -9.9314 -9.9314 -3.3861 -3.3861 -1.8844 -1.8844 0.3098 0.3098 1.2333 1.2333 1.2980 1.2980 1.8012 1.8012 2.1250 2.1250 3.5872 3.5872 3.6142 3.6142 4.0871 4.0871 4.3260 4.3260 4.5128 4.5128 4.5642 4.5642 5.1966 5.1966 5.2633 5.2633 5.4726 5.4726 5.7723 5.7723 6.1070 6.1070 9.7992 9.7992 10.2551 10.2551 13.4474 13.4474 14.1581 14.1581 14.2189 14.2189 14.6725 14.6725 k = 0.4474 0.2583-0.0000 ( 3762 PWs) bands (ev): -30.5793 -30.5793 -13.5456 -13.5456 -12.4297 -12.4297 -12.3636 -12.3636 -12.1522 -12.1522 -11.4624 -11.4624 -10.9732 -10.9732 -10.6147 -10.6147 -10.2758 -10.2758 -9.9287 -9.9287 -3.3617 -3.3617 -1.8915 -1.8915 0.3131 0.3131 1.2405 1.2405 1.3162 1.3162 1.8148 1.8148 2.0953 2.0953 3.5729 3.5729 3.6209 3.6209 4.0864 4.0864 4.3113 4.3113 4.5176 4.5176 4.5529 4.5529 5.2279 5.2279 5.2594 5.2594 5.4557 5.4557 5.7688 5.7688 6.1120 6.1120 9.7934 9.7934 10.2661 10.2661 13.4347 13.4347 14.1708 14.1708 14.2162 14.2162 14.6699 14.6699 k = 0.4605 0.2659-0.0000 ( 3762 PWs) bands (ev): -30.5793 -30.5793 -13.5345 -13.5345 -12.4376 -12.4376 -12.3685 -12.3685 -12.1508 -12.1508 -11.4619 -11.4619 -10.9671 -10.9671 -10.6254 -10.6254 -10.2819 -10.2819 -9.9266 -9.9266 -3.3424 -3.3424 -1.8973 -1.8973 0.3159 0.3159 1.2448 1.2448 1.3324 1.3324 1.8261 1.8261 2.0710 2.0710 3.5546 3.5546 3.6325 3.6325 4.0871 4.0871 4.2990 4.2990 4.5219 4.5219 4.5441 4.5441 5.2546 5.2546 5.2570 5.2570 5.4392 5.4392 5.7661 5.7661 6.1158 6.1158 9.7887 9.7887 10.2748 10.2748 13.4248 13.4248 14.1798 14.1798 14.2155 14.2155 14.6678 14.6678 k = 0.4737 0.2735-0.0000 ( 3764 PWs) bands (ev): -30.5793 -30.5793 -13.5263 -13.5263 -12.4440 -12.4440 -12.3715 -12.3715 -12.1497 -12.1497 -11.4615 -11.4615 -10.9625 -10.9625 -10.6333 -10.6333 -10.2863 -10.2863 -9.9250 -9.9250 -3.3283 -3.3283 -1.9016 -1.9016 0.3179 0.3179 1.2474 1.2474 1.3452 1.3452 1.8343 1.8343 2.0528 2.0528 3.5403 3.5403 3.6415 3.6415 4.0883 4.0883 4.2897 4.2897 4.5251 4.5251 4.5380 4.5380 5.2527 5.2527 5.2792 5.2792 5.4240 5.4240 5.7641 5.7641 6.1186 6.1186 9.7852 9.7852 10.2811 10.2811 13.4177 13.4177 14.1851 14.1851 14.2165 14.2165 14.6663 14.6663 k = 0.4868 0.2811-0.0000 ( 3764 PWs) bands (ev): -30.5793 -30.5793 -13.5213 -13.5213 -12.4482 -12.4482 -12.3731 -12.3731 -12.1490 -12.1490 -11.4613 -11.4613 -10.9595 -10.9595 -10.6383 -10.6383 -10.2890 -10.2890 -9.9240 -9.9240 -3.3198 -3.3198 -1.9042 -1.9042 0.3191 0.3191 1.2488 1.2488 1.3534 1.3534 1.8393 1.8393 2.0416 2.0416 3.5315 3.5315 3.6469 3.6469 4.0894 4.0894 4.2838 4.2838 4.5268 4.5268 4.5348 4.5348 5.2508 5.2508 5.2959 5.2959 5.4123 5.4123 5.7630 5.7630 6.1203 6.1203 9.7831 9.7831 10.2849 10.2849 13.4134 13.4134 14.1874 14.1874 14.2180 14.2180 14.6654 14.6654 k = 0.5000 0.2887-0.0000 ( 3764 PWs) bands (ev): -30.5793 -30.5793 -13.5197 -13.5197 -12.4497 -12.4497 -12.3736 -12.3736 -12.1488 -12.1488 -11.4612 -11.4612 -10.9585 -10.9585 -10.6400 -10.6400 -10.2899 -10.2899 -9.9237 -9.9237 -3.3169 -3.3169 -1.9051 -1.9051 0.3196 0.3196 1.2492 1.2492 1.3562 1.3562 1.8410 1.8410 2.0378 2.0378 3.5285 3.5285 3.6488 3.6488 4.0898 4.0898 4.2818 4.2818 4.5271 4.5271 4.5339 4.5339 5.2501 5.2501 5.3023 5.3023 5.4076 5.4076 5.7626 5.7626 6.1209 6.1209 9.7824 9.7824 10.2861 10.2861 13.4120 13.4120 14.1880 14.1880 14.2187 14.2187 14.6651 14.6651 k = 0.5000 0.2887-0.0000 ( 3764 PWs) bands (ev): -30.5793 -30.5793 -13.5197 -13.5197 -12.4497 -12.4497 -12.3736 -12.3736 -12.1488 -12.1488 -11.4612 -11.4612 -10.9585 -10.9585 -10.6400 -10.6400 -10.2899 -10.2899 -9.9237 -9.9237 -3.3169 -3.3169 -1.9051 -1.9051 0.3196 0.3196 1.2492 1.2492 1.3562 1.3562 1.8410 1.8410 2.0378 2.0378 3.5285 3.5285 3.6488 3.6488 4.0898 4.0898 4.2818 4.2818 4.5271 4.5271 4.5339 4.5339 5.2501 5.2501 5.3023 5.3023 5.4076 5.4076 5.7626 5.7626 6.1209 6.1209 9.7824 9.7824 10.2861 10.2861 13.4120 13.4120 14.1880 14.1880 14.2187 14.2187 14.6651 14.6651 k = 0.4924 0.3018-0.0000 ( 3768 PWs) bands (ev): -30.5793 -30.5793 -13.5188 -13.5188 -12.4603 -12.4603 -12.3653 -12.3653 -12.1462 -12.1462 -11.4614 -11.4614 -10.9578 -10.9578 -10.6428 -10.6428 -10.2909 -10.2909 -9.9220 -9.9220 -3.3148 -3.3148 -1.9065 -1.9065 0.3202 0.3202 1.2491 1.2491 1.3513 1.3513 1.8466 1.8466 2.0385 2.0385 3.5273 3.5273 3.6420 3.6420 4.0955 4.0955 4.2811 4.2811 4.5282 4.5282 4.5348 4.5348 5.2420 5.2420 5.3111 5.3111 5.4068 5.4068 5.7628 5.7628 6.1207 6.1207 9.7828 9.7828 10.2846 10.2846 13.4126 13.4126 14.1821 14.1821 14.2184 14.2184 14.6667 14.6667 k = 0.4848 0.3149-0.0000 ( 3772 PWs) bands (ev): -30.5793 -30.5793 -13.5164 -13.5164 -12.4841 -12.4841 -12.3483 -12.3483 -12.1382 -12.1382 -11.4622 -11.4622 -10.9555 -10.9555 -10.6510 -10.6510 -10.2942 -10.2942 -9.9171 -9.9171 -3.3086 -3.3086 -1.9109 -1.9109 0.3220 0.3220 1.2486 1.2486 1.3375 1.3375 1.8624 1.8624 2.0406 2.0406 3.5236 3.5236 3.6229 3.6229 4.1116 4.1116 4.2789 4.2789 4.5315 4.5315 4.5374 4.5374 5.2254 5.2254 5.3300 5.3300 5.4045 5.4045 5.7634 5.7634 6.1201 6.1201 9.7843 9.7843 10.2801 10.2801 13.4144 13.4144 14.1664 14.1664 14.2159 14.2159 14.6712 14.6712 k = 0.4773 0.3280-0.0000 ( 3774 PWs) bands (ev): -30.5793 -30.5793 -13.5123 -13.5123 -12.5132 -12.5132 -12.3309 -12.3309 -12.1248 -12.1248 -11.4633 -11.4633 -10.9517 -10.9517 -10.6644 -10.6644 -10.2995 -10.2995 -9.9093 -9.9093 -3.2983 -3.2983 -1.9181 -1.9181 0.3250 0.3250 1.2469 1.2469 1.3173 1.3173 1.8868 1.8868 2.0441 2.0441 3.5175 3.5175 3.5940 3.5940 4.1355 4.1355 4.2756 4.2756 4.5367 4.5367 4.5419 4.5419 5.2070 5.2070 5.3522 5.3522 5.4006 5.4006 5.7644 5.7644 6.1190 6.1190 9.7868 9.7868 10.2728 10.2728 13.4173 13.4173 14.1432 14.1432 14.2096 14.2096 14.6777 14.6777 k = 0.4697 0.3412-0.0000 ( 3774 PWs) bands (ev): -30.5793 -30.5793 -13.5065 -13.5065 -12.5445 -12.5445 -12.3158 -12.3158 -12.1061 -12.1061 -11.4649 -11.4649 -10.9464 -10.9464 -10.6825 -10.6825 -10.3068 -10.3068 -9.8989 -9.8989 -3.2839 -3.2839 -1.9283 -1.9283 0.3293 0.3293 1.2414 1.2414 1.2952 1.2952 1.9175 1.9175 2.0493 2.0493 3.5085 3.5085 3.5582 3.5582 4.1644 4.1644 4.2715 4.2715 4.5434 4.5434 4.5483 4.5483 5.1886 5.1886 5.3758 5.3758 5.3954 5.3954 5.7658 5.7658 6.1174 6.1174 9.7902 9.7902 10.2627 10.2627 13.4214 13.4214 14.1143 14.1143 14.1992 14.1992 14.6832 14.6832 k = 0.4621 0.3543-0.0000 ( 3772 PWs) bands (ev): -30.5793 -30.5793 -13.4991 -13.4991 -12.5770 -12.5770 -12.3035 -12.3035 -12.0827 -12.0827 -11.4668 -11.4668 -10.9397 -10.9397 -10.7048 -10.7048 -10.3159 -10.3159 -9.8865 -9.8865 -3.2656 -3.2656 -1.9413 -1.9413 0.3349 0.3349 1.2261 1.2261 1.2790 1.2790 1.9524 1.9524 2.0566 2.0566 3.4951 3.4951 3.5196 3.5196 4.1957 4.1957 4.2669 4.2669 4.5510 4.5510 4.5569 4.5569 5.1709 5.1709 5.3882 5.3882 5.4007 5.4007 5.7676 5.7676 6.1153 6.1153 9.7946 9.7946 10.2501 10.2501 13.4266 13.4266 14.0807 14.0807 14.1851 14.1851 14.6806 14.6806 k = 0.4545 0.3674-0.0000 ( 3766 PWs) bands (ev): -30.5793 -30.5793 -13.4901 -13.4901 -12.6101 -12.6101 -12.2940 -12.2940 -12.0553 -12.0553 -11.4691 -11.4691 -10.9316 -10.9316 -10.7308 -10.7308 -10.3269 -10.3269 -9.8727 -9.8727 -3.2434 -3.2434 -1.9571 -1.9571 0.3418 0.3418 1.1987 1.1987 1.2722 1.2722 1.9895 1.9895 2.0665 2.0665 3.4651 3.4651 3.4920 3.4920 4.2276 4.2276 4.2623 4.2623 4.5592 4.5592 4.5678 4.5678 5.1544 5.1544 5.3801 5.3801 5.4255 5.4255 5.7700 5.7700 6.1125 6.1125 9.7998 9.7998 10.2351 10.2351 13.4329 13.4329 14.0439 14.0439 14.1681 14.1681 14.6740 14.6740 k = 0.4470 0.3805-0.0000 ( 3770 PWs) bands (ev): -30.5792 -30.5792 -13.4795 -13.4795 -12.6436 -12.6436 -12.2866 -12.2866 -12.0248 -12.0248 -11.4716 -11.4716 -10.9224 -10.9224 -10.7598 -10.7598 -10.3395 -10.3395 -9.8580 -9.8580 -3.2176 -3.2176 -1.9757 -1.9757 0.3500 0.3500 1.1649 1.1649 1.2701 1.2701 2.0261 2.0261 2.0808 2.0808 3.4203 3.4203 3.4750 3.4750 4.2565 4.2565 4.2601 4.2601 4.5673 4.5673 4.5812 4.5812 5.1393 5.1393 5.3704 5.3704 5.4506 5.4506 5.7729 5.7729 6.1090 6.1090 9.8059 9.8059 10.2181 10.2181 13.4402 13.4402 14.0049 14.0049 14.1487 14.1487 14.6699 14.6699 k = 0.4394 0.3936-0.0000 ( 3782 PWs) bands (ev): -30.5792 -30.5792 -13.4673 -13.4673 -12.6773 -12.6773 -12.2808 -12.2808 -11.9921 -11.9921 -11.4744 -11.4744 -10.9121 -10.9121 -10.7912 -10.7912 -10.3537 -10.3537 -9.8427 -9.8427 -3.1883 -3.1883 -1.9970 -1.9970 0.3596 0.3596 1.1283 1.1283 1.2695 1.2695 2.0578 2.0578 2.1032 2.1032 3.3722 3.3722 3.4579 3.4579 4.2536 4.2536 4.2882 4.2882 4.5746 4.5746 4.5975 4.5975 5.1259 5.1259 5.3595 5.3595 5.4756 5.4756 5.7764 5.7764 6.1047 6.1047 9.8126 9.8126 10.1993 10.1993 13.4484 13.4484 13.9650 13.9650 14.1276 14.1276 14.6693 14.6693 k = 0.4318 0.4068-0.0000 ( 3778 PWs) bands (ev): -30.5792 -30.5792 -13.4535 -13.4535 -12.7110 -12.7110 -12.2761 -12.2761 -11.9578 -11.9578 -11.4772 -11.4772 -10.9013 -10.9013 -10.8240 -10.8240 -10.3694 -10.3694 -9.8274 -9.8274 -3.1556 -3.1556 -2.0210 -2.0210 0.3707 0.3707 1.0907 1.0907 1.2693 1.2693 2.0816 2.0816 2.1359 2.1359 3.3230 3.3230 3.4396 3.4396 4.2504 4.2504 4.3148 4.3148 4.5805 4.5805 4.6167 4.6167 5.1147 5.1147 5.3473 5.3473 5.5002 5.5002 5.7806 5.7806 6.0994 6.0994 9.8201 9.8201 10.1792 10.1792 13.4575 13.4575 13.9251 13.9251 14.1054 14.1054 14.6719 14.6719 k = 0.4242 0.4199-0.0000 ( 3768 PWs) bands (ev): -30.5792 -30.5792 -13.4382 -13.4382 -12.7448 -12.7448 -12.2723 -12.2723 -11.9223 -11.9223 -11.4800 -11.4800 -10.8934 -10.8934 -10.8545 -10.8545 -10.3864 -10.3864 -9.8123 -9.8123 -3.1198 -3.1198 -2.0476 -2.0476 0.3832 0.3832 1.0527 1.0527 1.2690 1.2690 2.1016 2.1016 2.1743 2.1743 3.2733 3.2733 3.4200 3.4200 4.2479 4.2479 4.3385 4.3385 4.5845 4.5845 4.6387 4.6387 5.1058 5.1058 5.3339 5.3339 5.5241 5.5241 5.7856 5.7856 6.0932 6.0932 9.8281 9.8281 10.1580 10.1580 13.4674 13.4674 13.8862 13.8862 14.0823 14.0823 14.6773 14.6773 k = 0.4167 0.4330-0.0000 ( 3764 PWs) bands (ev): -30.5792 -30.5792 -13.4213 -13.4213 -12.7784 -12.7784 -12.2691 -12.2691 -11.8861 -11.8861 -11.4828 -11.4828 -10.9079 -10.9079 -10.8628 -10.8628 -10.4047 -10.4047 -9.7977 -9.7977 -3.0811 -3.0811 -2.0768 -2.0768 0.3973 0.3973 1.0148 1.0148 1.2683 1.2683 2.1216 2.1216 2.2143 2.2143 3.2235 3.2235 3.3994 3.3994 4.2463 4.2463 4.3593 4.3593 4.5862 4.5862 4.6630 4.6630 5.0997 5.0997 5.3195 5.3195 5.5469 5.5469 5.7917 5.7917 6.0859 6.0859 9.8366 9.8366 10.1361 10.1361 13.4778 13.4778 13.8488 13.8488 14.0589 14.0589 14.6851 14.6851 k = 0.4091 0.4461-0.0000 ( 3766 PWs) bands (ev): -30.5792 -30.5792 -13.4029 -13.4029 -12.8120 -12.8120 -12.2664 -12.2664 -11.8497 -11.8497 -11.4853 -11.4853 -10.9420 -10.9420 -10.8514 -10.8514 -10.4242 -10.4242 -9.7838 -9.7838 -3.0398 -3.0398 -2.1085 -2.1085 0.4128 0.4128 0.9774 0.9774 1.2671 1.2671 2.1429 2.1429 2.2541 2.2541 3.1743 3.1743 3.3780 3.3780 4.2455 4.2455 4.3774 4.3774 4.5852 4.5852 4.6891 4.6891 5.0963 5.0963 5.3042 5.3042 5.5683 5.5683 5.7990 5.7990 6.0774 6.0774 9.8456 9.8456 10.1138 10.1138 13.4886 13.4886 13.8138 13.8138 14.0354 14.0354 14.6949 14.6949 k = 0.4015 0.4593-0.0000 ( 3762 PWs) bands (ev): -30.5792 -30.5792 -13.3830 -13.3830 -12.8454 -12.8454 -12.2640 -12.2640 -11.8134 -11.8134 -11.4874 -11.4874 -10.9795 -10.9795 -10.8361 -10.8361 -10.4446 -10.4446 -9.7709 -9.7709 -2.9961 -2.9961 -2.1426 -2.1426 0.4299 0.4299 0.9406 0.9406 1.2655 1.2655 2.1658 2.1658 2.2925 2.2925 3.1259 3.1259 3.3563 3.3563 4.2457 4.2457 4.3930 4.3930 4.5814 4.5814 4.7163 4.7163 5.0959 5.0959 5.2882 5.2882 5.5879 5.5879 5.8076 5.8076 6.0678 6.0678 9.8549 9.8549 10.0917 10.0917 13.4995 13.4995 13.7815 13.7815 14.0123 14.0123 14.7063 14.7063 k = 0.3939 0.4724-0.0000 ( 3758 PWs) bands (ev): -30.5792 -30.5792 -13.3617 -13.3617 -12.8787 -12.8787 -12.2619 -12.2619 -11.7776 -11.7776 -11.4889 -11.4889 -11.0178 -11.0178 -10.8193 -10.8193 -10.4659 -10.4659 -9.7591 -9.7591 -2.9502 -2.9502 -2.1790 -2.1790 0.4486 0.4486 0.9045 0.9045 1.2634 1.2634 2.1903 2.1903 2.3288 2.3288 3.0789 3.0789 3.3347 3.3347 4.2468 4.2468 4.4067 4.4067 4.5748 4.5748 4.7438 4.7438 5.0981 5.0981 5.2716 5.2716 5.6053 5.6053 5.8177 5.8177 6.0570 6.0570 9.8645 9.8645 10.0698 10.0698 13.5103 13.5103 13.7525 13.7525 13.9897 13.9897 14.7193 14.7193 k = 0.3864 0.4855-0.0000 ( 3762 PWs) bands (ev): -30.5792 -30.5792 -13.3390 -13.3390 -12.9119 -12.9119 -12.2601 -12.2601 -11.7430 -11.7430 -11.4895 -11.4895 -11.0561 -11.0561 -10.8014 -10.8014 -10.4880 -10.4880 -9.7485 -9.7485 -2.9025 -2.9025 -2.2176 -2.2176 0.4687 0.4687 0.8692 0.8692 1.2609 1.2609 2.2163 2.2163 2.3621 2.3621 3.0339 3.0339 3.3135 3.3135 4.2486 4.2486 4.4188 4.4188 4.5656 4.5656 4.7708 4.7708 5.1027 5.1027 5.2547 5.2547 5.6203 5.6203 5.8294 5.8294 6.0450 6.0450 9.8742 9.8742 10.0487 10.0487 13.5204 13.5204 13.7273 13.7273 13.9681 13.9681 14.7334 14.7334 k = 0.3788 0.4986-0.0000 ( 3766 PWs) bands (ev): -30.5792 -30.5792 -13.3149 -13.3149 -12.9448 -12.9448 -12.2585 -12.2585 -11.7102 -11.7102 -11.4886 -11.4886 -11.0938 -11.0938 -10.7826 -10.7826 -10.5107 -10.5107 -9.7391 -9.7391 -2.8533 -2.8533 -2.2584 -2.2584 0.4903 0.4903 0.8348 0.8348 1.2581 1.2581 2.2436 2.2436 2.3916 2.3916 2.9915 2.9915 3.2933 3.2933 4.2510 4.2510 4.4296 4.4296 4.5544 4.5544 4.7966 4.7966 5.1093 5.1093 5.2377 5.2377 5.6328 5.6328 5.8427 5.8427 6.0318 6.0318 9.8841 9.8841 10.0286 10.0286 13.5294 13.5294 13.7064 13.7064 13.9478 13.9478 14.7487 14.7487 k = 0.3712 0.5117-0.0000 ( 3768 PWs) bands (ev): -30.5792 -30.5792 -13.2895 -13.2895 -12.9776 -12.9776 -12.2572 -12.2572 -11.6804 -11.6804 -11.4858 -11.4858 -11.1302 -11.1302 -10.7629 -10.7629 -10.5338 -10.5338 -9.7312 -9.7312 -2.8028 -2.8028 -2.3012 -2.3012 0.5132 0.5132 0.8015 0.8015 1.2553 1.2553 2.2719 2.2719 2.4159 2.4159 2.9529 2.9529 3.2745 3.2745 4.2540 4.2540 4.4394 4.4394 4.5417 4.5417 4.8204 4.8204 5.1174 5.1174 5.2212 5.2212 5.6428 5.6428 5.8572 5.8572 6.0177 6.0177 9.8939 9.8939 10.0098 10.0098 13.5367 13.5367 13.6901 13.6901 13.9293 13.9293 14.7649 14.7649 k = 0.3636 0.5249-0.0000 ( 3768 PWs) bands (ev): -30.5792 -30.5792 -13.2628 -13.2628 -13.0101 -13.0101 -12.2561 -12.2561 -11.6547 -11.6547 -11.4804 -11.4804 -11.1645 -11.1645 -10.7426 -10.7426 -10.5573 -10.5573 -9.7246 -9.7246 -2.7513 -2.7513 -2.3459 -2.3459 0.5374 0.5374 0.7691 0.7691 1.2524 1.2524 2.3006 2.3006 2.4338 2.4338 2.9194 2.9194 3.2578 3.2578 4.2572 4.2572 4.4485 4.4485 4.5280 4.5280 4.8415 4.8415 5.1263 5.1263 5.2053 5.2053 5.6505 5.6505 5.8728 5.8728 6.0026 6.0026 9.9038 9.9038 9.9924 9.9924 13.5418 13.5418 13.6786 13.6786 13.9131 13.9131 14.7818 14.7818 k = 0.3561 0.5380-0.0000 ( 3768 PWs) bands (ev): -30.5792 -30.5792 -13.2351 -13.2351 -13.0423 -13.0423 -12.2552 -12.2552 -11.6346 -11.6346 -11.4722 -11.4722 -11.1956 -11.1956 -10.7217 -10.7217 -10.5808 -10.5808 -9.7195 -9.7195 -2.6992 -2.6992 -2.3924 -2.3924 0.5626 0.5626 0.7379 0.7379 1.2499 1.2499 2.3293 2.3293 2.4434 2.4434 2.8923 2.8923 3.2437 3.2437 4.2604 4.2604 4.4570 4.4570 4.5143 4.5143 4.8592 4.8592 5.1355 5.1355 5.1908 5.1908 5.6561 5.6561 5.8890 5.8890 5.9869 5.9869 9.9135 9.9135 9.9768 9.9768 13.5446 13.5446 13.6716 13.6716 13.8996 13.8996 14.7993 14.7993 k = 0.3485 0.5511-0.0000 ( 3764 PWs) bands (ev): -30.5791 -30.5791 -13.2066 -13.2066 -13.0739 -13.0739 -12.2545 -12.2545 -11.6207 -11.6207 -11.4623 -11.4623 -11.2213 -11.2213 -10.7004 -10.7004 -10.6040 -10.6040 -9.7159 -9.7159 -2.6468 -2.6468 -2.4407 -2.4407 0.5884 0.5884 0.7081 0.7081 1.2477 1.2477 2.3575 2.3575 2.4435 2.4435 2.8729 2.8729 3.2329 3.2329 4.2632 4.2632 4.4652 4.4652 4.5012 4.5012 4.8726 4.8726 5.1444 5.1444 5.1781 5.1781 5.6598 5.6598 5.9055 5.9055 5.9708 5.9708 9.9230 9.9230 9.9630 9.9630 13.5455 13.5455 13.6681 13.6681 13.8895 13.8895 14.8172 14.8172 k = 0.3409 0.5642-0.0000 ( 3760 PWs) bands (ev): -30.5791 -30.5791 -13.1786 -13.1786 -13.1038 -13.1038 -12.2541 -12.2541 -11.6129 -11.6129 -11.4535 -11.4535 -11.2390 -11.2390 -10.6797 -10.6797 -10.6261 -10.6261 -9.7137 -9.7137 -2.5942 -2.5942 -2.4905 -2.4905 0.6135 0.6135 0.6807 0.6807 1.2463 1.2463 2.3844 2.3844 2.4335 2.4335 2.8619 2.8619 3.2259 3.2259 4.2652 4.2652 4.4730 4.4730 4.4897 4.4897 4.8810 4.8810 5.1524 5.1524 5.1680 5.1680 5.6619 5.6619 5.9220 5.9220 5.9546 5.9546 9.9323 9.9323 9.9512 9.9512 13.5455 13.5455 13.6669 13.6669 13.8833 13.8833 14.8350 14.8350 k = 0.3333 0.5774-0.0000 ( 3762 PWs) bands (ev): -30.5791 -30.5791 -13.1608 -13.1608 -13.1221 -13.1221 -12.2539 -12.2539 -11.6106 -11.6106 -11.4499 -11.4499 -11.2455 -11.2455 -10.6665 -10.6665 -10.6397 -10.6397 -9.7130 -9.7130 -2.5420 -2.5420 -2.5419 -2.5419 0.6289 0.6289 0.6646 0.6646 1.2458 1.2458 2.4036 2.4036 2.4198 2.4198 2.8585 2.8585 3.2235 3.2235 4.2659 4.2659 4.4806 4.4806 4.4807 4.4807 4.8839 4.8839 5.1573 5.1573 5.1624 5.1624 5.6625 5.6625 5.9357 5.9357 5.9409 5.9409 9.9401 9.9401 9.9425 9.9425 13.5453 13.5453 13.6667 13.6667 13.8812 13.8812 14.8483 14.8483 k = 0.3333 0.5774-0.0000 ( 3762 PWs) bands (ev): -30.5791 -30.5791 -13.1608 -13.1608 -13.1221 -13.1221 -12.2539 -12.2539 -11.6106 -11.6106 -11.4499 -11.4499 -11.2455 -11.2455 -10.6665 -10.6665 -10.6397 -10.6397 -9.7130 -9.7130 -2.5420 -2.5420 -2.5419 -2.5419 0.6289 0.6289 0.6646 0.6646 1.2458 1.2458 2.4036 2.4036 2.4198 2.4198 2.8585 2.8585 3.2235 3.2235 4.2659 4.2659 4.4806 4.4806 4.4807 4.4807 4.8839 4.8839 5.1573 5.1573 5.1624 5.1624 5.6625 5.6625 5.9357 5.9357 5.9409 5.9409 9.9401 9.9401 9.9425 9.9425 13.5453 13.5453 13.6667 13.6667 13.8812 13.8812 14.8483 14.8483 k = 0.3258 0.5642-0.0000 ( 3758 PWs) bands (ev): -30.5791 -30.5791 -13.1790 -13.1790 -13.1034 -13.1034 -12.2541 -12.2541 -11.6127 -11.6127 -11.4537 -11.4537 -11.2391 -11.2391 -10.6796 -10.6796 -10.6260 -10.6260 -9.7137 -9.7137 -2.5947 -2.5947 -2.4901 -2.4901 0.6138 0.6138 0.6804 0.6804 1.2464 1.2464 2.3814 2.3814 2.4369 2.4369 2.8613 2.8613 3.2261 3.2261 4.2651 4.2651 4.4747 4.4747 4.4882 4.4882 4.8810 4.8810 5.1544 5.1544 5.1659 5.1659 5.6619 5.6619 5.9226 5.9226 5.9541 5.9541 9.9334 9.9334 9.9500 9.9500 13.5456 13.5456 13.6668 13.6668 13.8832 13.8832 14.8334 14.8334 k = 0.3182 0.5511-0.0000 ( 3758 PWs) bands (ev): -30.5791 -30.5791 -13.2085 -13.2085 -13.0722 -13.0722 -12.2545 -12.2545 -11.6191 -11.6191 -11.4633 -11.4633 -11.2219 -11.2219 -10.7002 -10.7002 -10.6038 -10.6038 -9.7158 -9.7158 -2.6488 -2.6488 -2.4391 -2.4391 0.5893 0.5893 0.7062 0.7062 1.2484 1.2484 2.3461 2.3461 2.4581 2.4581 2.8683 2.8683 3.2342 3.2342 4.2625 4.2625 4.4725 4.4725 4.4958 4.4958 4.8726 4.8726 5.1522 5.1522 5.1690 5.1690 5.6602 5.6602 5.9080 5.9080 5.9687 5.9687 9.9277 9.9277 9.9582 9.9582 13.5467 13.5467 13.6671 13.6671 13.8891 13.8891 14.8109 14.8109 k = 0.3106 0.5380-0.0000 ( 3766 PWs) bands (ev): -30.5792 -30.5792 -13.2394 -13.2394 -13.0386 -13.0386 -12.2553 -12.2553 -11.6295 -11.6295 -11.4755 -11.4755 -11.1973 -11.1973 -10.7210 -10.7210 -10.5801 -10.5801 -9.7193 -9.7193 -2.7041 -2.7041 -2.3891 -2.3891 0.5643 0.5643 0.7331 0.7331 1.2522 1.2522 2.3051 2.3051 2.4774 2.4774 2.8778 2.8778 3.2480 3.2480 4.2583 4.2583 4.4741 4.4741 4.5035 4.5035 4.8590 4.8590 5.1517 5.1517 5.1699 5.1699 5.6576 5.6576 5.8947 5.8947 5.9824 5.9824 9.9239 9.9239 9.9658 9.9658 13.5486 13.5486 13.6681 13.6681 13.8981 13.8981 14.7861 14.7861 k = 0.3030 0.5249-0.0000 ( 3778 PWs) bands (ev): -30.5792 -30.5792 -13.2708 -13.2708 -13.0037 -13.0037 -12.2564 -12.2564 -11.6438 -11.6438 -11.4875 -11.4875 -11.1685 -11.1685 -10.7407 -10.7407 -10.5557 -10.5557 -9.7241 -9.7241 -2.7604 -2.7604 -2.3403 -2.3403 0.5398 0.5398 0.7593 0.7593 1.2579 1.2579 2.2600 2.2600 2.4945 2.4945 2.8884 2.8884 3.2676 3.2676 4.2529 4.2529 4.4795 4.4795 4.5114 4.5114 4.8408 4.8408 5.1525 5.1525 5.1683 5.1683 5.6540 5.6540 5.8829 5.8829 5.9950 5.9950 9.9219 9.9219 9.9728 9.9728 13.5510 13.5510 13.6704 13.6704 13.9096 13.9096 14.7602 14.7602 k = 0.2955 0.5117-0.0000 ( 3772 PWs) bands (ev): -30.5792 -30.5792 -13.3021 -13.3021 -12.9679 -12.9679 -12.2579 -12.2579 -11.6615 -11.6615 -11.4975 -11.4975 -11.1378 -11.1378 -10.7589 -10.7589 -10.5309 -10.5309 -9.7302 -9.7302 -2.8178 -2.8178 -2.2930 -2.2930 0.5161 0.5161 0.7842 0.7842 1.2659 1.2659 2.2117 2.2117 2.5097 2.5097 2.8991 2.8991 3.2928 3.2928 4.2471 4.2471 4.4882 4.4882 4.5194 4.5194 4.8188 4.8188 5.1539 5.1539 5.1640 5.1640 5.6497 5.6497 5.8730 5.8730 6.0064 6.0064 9.9217 9.9217 9.9792 9.9792 13.5538 13.5538 13.6749 13.6749 13.9228 13.9228 14.7339 14.7339 k = 0.2879 0.4986-0.0000 ( 3768 PWs) bands (ev): -30.5792 -30.5792 -13.3334 -13.3334 -12.9314 -12.9314 -12.2597 -12.2597 -11.6820 -11.6820 -11.5052 -11.5052 -11.1068 -11.1068 -10.7749 -10.7749 -10.5058 -10.5058 -9.7374 -9.7374 -2.8761 -2.8761 -2.2473 -2.2473 0.4934 0.4934 0.8071 0.8071 1.2763 1.2763 2.1610 2.1610 2.5234 2.5234 2.9092 2.9092 3.3233 3.3233 4.2416 4.2416 4.4998 4.4998 4.5278 4.5278 4.7933 4.7933 5.1538 5.1538 5.1586 5.1586 5.6447 5.6447 5.8650 5.8650 6.0166 6.0166 9.9231 9.9231 9.9847 9.9847 13.5567 13.5567 13.6822 13.6822 13.9369 13.9369 14.7078 14.7078 k = 0.2803 0.4855-0.0000 ( 3764 PWs) bands (ev): -30.5792 -30.5792 -13.3646 -13.3646 -12.8943 -12.8943 -12.2618 -12.2618 -11.7043 -11.7043 -11.5106 -11.5106 -11.0772 -11.0772 -10.7878 -10.7878 -10.4804 -10.4804 -9.7458 -9.7458 -2.9351 -2.9351 -2.2034 -2.2034 0.4716 0.4716 0.8275 0.8275 1.2893 1.2893 2.1083 2.1083 2.5363 2.5363 2.9181 2.9181 3.3586 3.3586 4.2369 4.2369 4.5138 4.5138 4.5364 4.5364 4.7648 4.7648 5.1445 5.1445 5.1596 5.1596 5.6389 5.6389 5.8592 5.8592 6.0254 6.0254 9.9259 9.9259 9.9892 9.9892 13.5597 13.5597 13.6925 13.6925 13.9513 13.9513 14.6825 14.6825 k = 0.2727 0.4724-0.0000 ( 3768 PWs) bands (ev): -30.5792 -30.5792 -13.3956 -13.3956 -12.8569 -12.8569 -12.2644 -12.2644 -11.7277 -11.7277 -11.5140 -11.5140 -11.0504 -11.0504 -10.7964 -10.7964 -10.4549 -10.4549 -9.7553 -9.7553 -2.9949 -2.9949 -2.1615 -2.1615 0.4508 0.4508 0.8450 0.8450 1.3049 1.3049 2.0539 2.0539 2.5490 2.5490 2.9255 2.9255 3.3982 3.3982 4.2338 4.2338 4.5299 4.5299 4.5452 4.5452 4.7338 4.7338 5.1306 5.1306 5.1623 5.1623 5.6326 5.6326 5.8554 5.8554 6.0328 6.0328 9.9299 9.9299 9.9926 9.9926 13.5631 13.5631 13.7059 13.7059 13.9653 13.9653 14.6584 14.6584 k = 0.2652 0.4593-0.0000 ( 3772 PWs) bands (ev): -30.5792 -30.5792 -13.4265 -13.4265 -12.8192 -12.8192 -12.2672 -12.2672 -11.7514 -11.7514 -11.5158 -11.5158 -11.0283 -11.0283 -10.7991 -10.7991 -10.4292 -10.4292 -9.7657 -9.7657 -3.0552 -3.0552 -2.1216 -2.1216 0.4311 0.4311 0.8594 0.8594 1.3229 1.3229 1.9980 1.9980 2.5623 2.5623 2.9310 2.9310 3.4416 3.4416 4.2326 4.2326 4.5475 4.5475 4.5540 4.5540 4.7008 4.7008 5.1132 5.1132 5.1657 5.1657 5.6257 5.6257 5.8536 5.8536 6.0388 6.0388 9.9349 9.9349 9.9948 9.9948 13.5671 13.5671 13.7222 13.7222 13.9784 13.9784 14.6361 14.6361 k = 0.2576 0.4461-0.0000 ( 3778 PWs) bands (ev): -30.5793 -30.5793 -13.4572 -13.4572 -12.7815 -12.7815 -12.2704 -12.2704 -11.7751 -11.7751 -11.5160 -11.5160 -11.0126 -11.0126 -10.7945 -10.7945 -10.4034 -10.4034 -9.7770 -9.7770 -3.1161 -3.1161 -2.0838 -2.0838 0.4125 0.4125 0.8705 0.8705 1.3431 1.3431 1.9410 1.9410 2.5768 2.5768 2.9345 2.9345 3.4881 3.4881 4.2339 4.2339 4.5618 4.5618 4.5669 4.5669 4.6668 4.6668 5.0925 5.0925 5.1698 5.1698 5.6183 5.6183 5.8536 5.8536 6.0435 6.0435 9.9408 9.9408 9.9955 9.9955 13.5722 13.5722 13.7411 13.7411 13.9899 13.9899 14.6160 14.6160 k = 0.2500 0.4330-0.0000 ( 3764 PWs) bands (ev): -30.5793 -30.5793 -13.4876 -13.4876 -12.7438 -12.7438 -12.2739 -12.2739 -11.7983 -11.7983 -11.5150 -11.5150 -11.0040 -11.0040 -10.7820 -10.7820 -10.3776 -10.3776 -9.7890 -9.7890 -3.1774 -3.1774 -2.0482 -2.0482 0.3950 0.3950 0.8784 0.8784 1.3649 1.3649 1.8831 1.8831 2.5932 2.5932 2.9356 2.9356 3.5374 3.5374 4.2380 4.2380 4.5670 4.5670 4.5868 4.5868 4.6346 4.6346 5.0687 5.0687 5.1749 5.1749 5.6103 5.6103 5.8551 5.8551 6.0468 6.0468 9.9473 9.9473 9.9946 9.9946 13.5788 13.5788 13.7623 13.7623 13.9994 13.9994 14.5987 14.5987 k = 0.2424 0.4199-0.0000 ( 3764 PWs) bands (ev): -30.5793 -30.5793 -13.5177 -13.5177 -12.7065 -12.7065 -12.2775 -12.2775 -11.8207 -11.8207 -11.5127 -11.5127 -11.0018 -11.0018 -10.7625 -10.7625 -10.3519 -10.3519 -9.8017 -9.8017 -3.2391 -3.2391 -2.0149 -2.0149 0.3787 0.3787 0.8832 0.8832 1.3879 1.3879 1.8243 1.8243 2.6120 2.6120 2.9343 2.9343 3.5887 3.5887 4.2452 4.2452 4.5597 4.5597 4.6069 4.6069 4.6147 4.6147 5.0417 5.0417 5.1810 5.1810 5.6020 5.6020 5.8581 5.8581 6.0489 6.0489 9.9542 9.9542 9.9919 9.9919 13.5872 13.5872 13.7854 13.7854 14.0063 14.0063 14.5843 14.5843 k = 0.2348 0.4068-0.0000 ( 3764 PWs) bands (ev): -30.5793 -30.5793 -13.5475 -13.5475 -12.6698 -12.6698 -12.2812 -12.2812 -11.8423 -11.8423 -11.5093 -11.5093 -11.0043 -11.0043 -10.7379 -10.7379 -10.3262 -10.3262 -9.8149 -9.8149 -3.3010 -3.3010 -1.9838 -1.9838 0.3637 0.3637 0.8851 0.8851 1.4116 1.4116 1.7649 1.7649 2.6336 2.6336 2.9303 2.9303 3.6418 3.6418 4.2558 4.2558 4.5322 4.5322 4.6127 4.6127 4.6294 4.6294 5.0119 5.0119 5.1884 5.1884 5.5933 5.5933 5.8621 5.8621 6.0496 6.0496 9.9613 9.9613 9.9871 9.9871 13.5978 13.5978 13.8099 13.8099 14.0103 14.0103 14.5733 14.5733 k = 0.2273 0.3936-0.0000 ( 3764 PWs) bands (ev): -30.5793 -30.5793 -13.5770 -13.5770 -12.6340 -12.6340 -12.2850 -12.2850 -11.8628 -11.8628 -11.5047 -11.5047 -11.0096 -11.0096 -10.7101 -10.7101 -10.3007 -10.3007 -9.8285 -9.8285 -3.3630 -3.3630 -1.9549 -1.9549 0.3499 0.3499 0.8844 0.8844 1.4354 1.4354 1.7051 1.7051 2.6584 2.6584 2.9234 2.9234 3.6961 3.6961 4.2699 4.2699 4.4962 4.4962 4.6206 4.6206 4.6505 4.6505 4.9796 4.9796 5.1970 5.1970 5.5843 5.5843 5.8670 5.8670 6.0491 6.0491 9.9683 9.9683 9.9801 9.9801 13.6108 13.6108 13.8357 13.8357 14.0112 14.0112 14.5660 14.5660 k = 0.2197 0.3805-0.0000 ( 3764 PWs) bands (ev): -30.5794 -30.5794 -13.6061 -13.6061 -12.5993 -12.5993 -12.2885 -12.2885 -11.8821 -11.8821 -11.4989 -11.4989 -11.0164 -11.0164 -10.6804 -10.6804 -10.2753 -10.2753 -9.8423 -9.8423 -3.4250 -3.4250 -1.9282 -1.9282 0.3374 0.3374 0.8812 0.8812 1.4589 1.4589 1.6451 1.6451 2.6864 2.6864 2.9136 2.9136 3.7512 3.7512 4.2879 4.2879 4.4583 4.4583 4.6308 4.6308 4.6712 4.6712 4.9454 4.9454 5.2070 5.2070 5.5753 5.5753 5.8726 5.8726 6.0475 6.0475 9.9704 9.9704 9.9754 9.9754 13.6264 13.6264 13.8622 13.8622 14.0092 14.0092 14.5622 14.5622 k = 0.2121 0.3674-0.0000 ( 3768 PWs) bands (ev): -30.5794 -30.5794 -13.6347 -13.6347 -12.5663 -12.5663 -12.2915 -12.2915 -11.9002 -11.9002 -11.4918 -11.4918 -11.0240 -11.0240 -10.6501 -10.6501 -10.2502 -10.2502 -9.8561 -9.8561 -3.4870 -3.4870 -1.9036 -1.9036 0.3264 0.3264 0.8759 0.8759 1.4817 1.4817 1.5851 1.5851 2.7177 2.7177 2.9006 2.9006 3.8064 3.8064 4.3097 4.3097 4.4207 4.4207 4.6420 4.6420 4.6905 4.6905 4.9100 4.9100 5.2184 5.2184 5.5662 5.5662 5.8787 5.8787 6.0448 6.0448 9.9586 9.9586 9.9818 9.9818 13.6447 13.6447 13.8888 13.8888 14.0047 14.0047 14.5620 14.5620 k = 0.2045 0.3543-0.0000 ( 3766 PWs) bands (ev): -30.5794 -30.5794 -13.6629 -13.6629 -12.5355 -12.5355 -12.2937 -12.2937 -11.9170 -11.9170 -11.4835 -11.4835 -11.0317 -11.0317 -10.6198 -10.6198 -10.2254 -10.2254 -9.8698 -9.8698 -3.5488 -3.5488 -1.8811 -1.8811 0.3167 0.3167 0.8687 0.8687 1.5032 1.5032 1.5258 1.5258 2.7520 2.7520 2.8845 2.8845 3.8613 3.8613 4.3356 4.3356 4.3845 4.3845 4.6534 4.6534 4.7067 4.7067 4.8752 4.8752 5.2311 5.2311 5.5573 5.5573 5.8850 5.8850 6.0411 6.0411 9.9438 9.9438 9.9877 9.9877 13.6658 13.6658 13.9142 13.9142 13.9993 13.9993 14.5649 14.5649 k = 0.1970 0.3412-0.0000 ( 3766 PWs) bands (ev): -30.5795 -30.5795 -13.6905 -13.6905 -12.5075 -12.5075 -12.2945 -12.2945 -11.9325 -11.9325 -11.4739 -11.4739 -11.0391 -11.0391 -10.5902 -10.5902 -10.2010 -10.2010 -9.8832 -9.8832 -3.6103 -3.6103 -1.8606 -1.8606 0.3084 0.3084 0.8597 0.8597 1.4652 1.4652 1.5253 1.5253 2.7881 2.7881 2.8664 2.8664 3.9151 3.9151 4.3482 4.3482 4.3679 4.3679 4.6650 4.6650 4.7163 4.7163 4.8445 4.8445 5.2452 5.2452 5.5489 5.5489 5.8914 5.8914 6.0365 6.0365 9.9262 9.9262 9.9931 9.9931 13.6893 13.6893 13.9348 13.9348 13.9970 13.9970 14.5707 14.5707 k = 0.1894 0.3280-0.0000 ( 3774 PWs) bands (ev): -30.5795 -30.5795 -13.7176 -13.7176 -12.4834 -12.4834 -12.2932 -12.2932 -11.9467 -11.9467 -11.4629 -11.4629 -11.0461 -11.0461 -10.5616 -10.5616 -10.1770 -10.1770 -9.8960 -9.8960 -3.6715 -3.6715 -1.8420 -1.8420 0.3017 0.3017 0.8492 0.8492 1.4064 1.4064 1.5453 1.5453 2.8157 2.8157 2.8561 2.8561 3.9672 3.9672 4.3171 4.3171 4.4017 4.4017 4.6764 4.6764 4.7127 4.7127 4.8248 4.8248 5.2607 5.2607 5.5412 5.5412 5.8978 5.8978 6.0311 6.0311 9.9057 9.9057 9.9976 9.9976 13.7150 13.7150 13.9432 13.9432 14.0059 14.0059 14.5787 14.5787 k = 0.1818 0.3149-0.0000 ( 3782 PWs) bands (ev): -30.5796 -30.5796 -13.7440 -13.7440 -12.4638 -12.4638 -12.2891 -12.2891 -11.9595 -11.9595 -11.4506 -11.4506 -11.0525 -11.0525 -10.5345 -10.5345 -10.1535 -10.1535 -9.9079 -9.9079 -3.7321 -3.7321 -1.8252 -1.8252 0.2964 0.2964 0.8373 0.8373 1.3483 1.3483 1.5644 1.5644 2.8030 2.8030 2.8853 2.8853 4.0167 4.0167 4.2880 4.2880 4.4402 4.4402 4.6875 4.6875 4.6925 4.6925 4.8205 4.8205 5.2773 5.2773 5.5345 5.5345 5.9040 5.9040 6.0249 6.0249 9.8822 9.8822 10.0013 10.0013 13.7419 13.7419 13.9395 13.9395 14.0273 14.0273 14.5886 14.5886 k = 0.1742 0.3018-0.0000 ( 3770 PWs) bands (ev): -30.5796 -30.5796 -13.7698 -13.7698 -12.4495 -12.4495 -12.2816 -12.2816 -11.9709 -11.9709 -11.4369 -11.4369 -11.0582 -11.0582 -10.5093 -10.5093 -10.1305 -10.1305 -9.9186 -9.9186 -3.7921 -3.7921 -1.8101 -1.8101 0.2927 0.2927 0.8242 0.8242 1.2911 1.2911 1.5827 1.5827 2.7737 2.7737 2.9299 2.9299 4.0628 4.0628 4.2620 4.2620 4.4807 4.4807 4.6632 4.6632 4.6985 4.6985 4.8258 4.8258 5.2951 5.2951 5.5292 5.5292 5.9099 5.9099 6.0180 6.0180 9.8557 9.8557 10.0041 10.0041 13.7680 13.7680 13.9330 13.9330 14.0541 14.0541 14.6000 14.6000 k = 0.1667 0.2887-0.0000 ( 3774 PWs) bands (ev): -30.5796 -30.5796 -13.7949 -13.7949 -12.4406 -12.4406 -12.2709 -12.2709 -11.9808 -11.9808 -11.4217 -11.4217 -11.0633 -11.0633 -10.4863 -10.4863 -10.1082 -10.1082 -9.9279 -9.9279 -3.8513 -3.8513 -1.7967 -1.7967 0.2905 0.2905 0.8102 0.8102 1.2350 1.2350 1.6004 1.6004 2.7391 2.7391 2.9785 2.9785 4.1044 4.1044 4.2394 4.2394 4.5160 4.5160 4.6396 4.6396 4.7089 4.7089 4.8337 4.8337 5.3139 5.3139 5.5255 5.5255 5.9154 5.9154 6.0105 6.0105 9.8263 9.8263 10.0059 10.0059 13.7893 13.7893 13.9314 13.9314 14.0828 14.0828 14.6122 14.6122 k = 0.1591 0.2756-0.0000 ( 3782 PWs) bands (ev): -30.5797 -30.5797 -13.8192 -13.8192 -12.4364 -12.4364 -12.2578 -12.2578 -11.9894 -11.9894 -11.4053 -11.4053 -11.0676 -11.0676 -10.4658 -10.4658 -10.0866 -10.0866 -9.9354 -9.9354 -3.9096 -3.9096 -1.7847 -1.7847 0.2899 0.2899 0.7952 0.7952 1.1803 1.1803 1.6175 1.6175 2.7006 2.7006 3.0295 3.0295 4.1405 4.1405 4.2202 4.2202 4.5253 4.5253 4.6462 4.6462 4.7189 4.7189 4.8410 4.8410 5.3338 5.3338 5.5240 5.5240 5.9205 5.9205 6.0025 6.0025 9.7940 9.7940 10.0067 10.0067 13.8000 13.8000 13.9418 13.9418 14.1122 14.1122 14.6249 14.6249 k = 0.1515 0.2624-0.0000 ( 3784 PWs) bands (ev): -30.5797 -30.5797 -13.8427 -13.8427 -12.4358 -12.4358 -12.2432 -12.2432 -11.9964 -11.9964 -11.3875 -11.3875 -11.0712 -11.0712 -10.4482 -10.4482 -10.0657 -10.0657 -9.9408 -9.9408 -3.9668 -3.9668 -1.7742 -1.7742 0.2908 0.2908 0.7797 0.7797 1.1272 1.1272 1.6342 1.6342 2.6587 2.6587 3.0824 3.0824 4.1690 4.1690 4.2044 4.2044 4.5060 4.5060 4.6883 4.6883 4.7284 4.7284 4.8462 4.8462 5.3544 5.3544 5.5247 5.5247 5.9250 5.9250 5.9941 5.9941 9.7590 9.7590 10.0066 10.0066 13.7982 13.7982 13.9668 13.9668 14.1418 14.1418 14.6378 14.6378 k = 0.1439 0.2493-0.0000 ( 3778 PWs) bands (ev): -30.5798 -30.5798 -13.8654 -13.8654 -12.4378 -12.4378 -12.2284 -12.2284 -12.0020 -12.0020 -11.3685 -11.3685 -11.0741 -11.0741 -10.4337 -10.4337 -10.0458 -10.0458 -9.9437 -9.9437 -4.0228 -4.0228 -1.7650 -1.7650 0.2932 0.2932 0.7636 0.7636 1.0757 1.0757 1.6506 1.6506 2.6139 2.6139 3.1367 3.1367 4.1864 4.1864 4.1927 4.1927 4.4814 4.4814 4.7355 4.7355 4.7475 4.7475 4.8484 4.8484 5.3758 5.3758 5.5281 5.5281 5.9288 5.9288 5.9853 5.9853 9.7214 9.7214 10.0055 10.0055 13.7876 13.7876 14.0029 14.0029 14.1714 14.1714 14.6506 14.6506 k = 0.1364 0.2362-0.0000 ( 3782 PWs) bands (ev): -30.5798 -30.5798 -13.8871 -13.8871 -12.4417 -12.4417 -12.2141 -12.2141 -12.0062 -12.0062 -11.3485 -11.3485 -11.0763 -11.0763 -10.4225 -10.4225 -10.0270 -10.0270 -9.9440 -9.9440 -4.0774 -4.0774 -1.7569 -1.7569 0.2971 0.2971 0.7472 0.7472 1.0262 1.0262 1.6669 1.6669 2.5667 2.5667 3.1921 3.1921 4.1817 4.1817 4.1923 4.1923 4.4639 4.4639 4.7447 4.7447 4.8097 4.8097 4.8482 4.8482 5.3977 5.3977 5.5342 5.5342 5.9319 5.9319 5.9762 5.9762 9.6816 9.6816 10.0034 10.0034 13.7725 13.7725 14.0456 14.0456 14.2007 14.2007 14.6628 14.6628 k = 0.1288 0.2231-0.0000 ( 3766 PWs) bands (ev): -30.5798 -30.5798 -13.9080 -13.9080 -12.4466 -12.4466 -12.2010 -12.2010 -12.0088 -12.0088 -11.3276 -11.3276 -11.0779 -11.0779 -10.4144 -10.4144 -10.0093 -10.0093 -9.9416 -9.9416 -4.1305 -4.1305 -1.7499 -1.7499 0.3024 0.3024 0.7306 0.7306 0.9786 0.9786 1.6831 1.6831 2.5176 2.5176 3.2484 3.2484 4.1741 4.1741 4.1817 4.1817 4.4581 4.4581 4.7523 4.7523 4.8403 4.8403 4.8807 4.8807 5.4202 5.4202 5.5430 5.5430 5.9343 5.9343 5.9669 5.9669 9.6396 9.6396 10.0005 10.0005 13.7556 13.7556 14.0924 14.0924 14.2297 14.2297 14.6741 14.6741 k = 0.1212 0.2099-0.0000 ( 3766 PWs) bands (ev): -30.5799 -30.5799 -13.9279 -13.9279 -12.4524 -12.4524 -12.1894 -12.1894 -12.0102 -12.0102 -11.3060 -11.3060 -11.0789 -11.0789 -10.4095 -10.4095 -9.9930 -9.9930 -9.9364 -9.9364 -4.1819 -4.1819 -1.7439 -1.7439 0.3090 0.3090 0.7140 0.7140 0.9333 0.9333 1.6993 1.6993 2.4669 2.4669 3.3053 3.3053 4.1537 4.1537 4.1726 4.1726 4.4632 4.4632 4.7592 4.7592 4.8335 4.8335 4.9495 4.9495 5.4429 5.4429 5.5544 5.5544 5.9357 5.9357 5.9575 5.9575 9.5960 9.5960 9.9968 9.9968 13.7381 13.7381 14.1417 14.1417 14.2582 14.2582 14.6840 14.6840 k = 0.1136 0.1968-0.0000 ( 3764 PWs) bands (ev): -30.5799 -30.5799 -13.9467 -13.9467 -12.4586 -12.4586 -12.1795 -12.1795 -12.0102 -12.0102 -11.2840 -11.2840 -11.0793 -11.0793 -10.4075 -10.4075 -9.9780 -9.9780 -9.9287 -9.9287 -4.2314 -4.2314 -1.7388 -1.7388 0.3169 0.3169 0.6976 0.6976 0.8903 0.8903 1.7155 1.7155 2.4154 2.4154 3.3626 3.3626 4.1190 4.1190 4.1704 4.1704 4.4750 4.4750 4.7653 4.7653 4.8232 4.8232 5.0201 5.0201 5.4659 5.4659 5.5683 5.5683 5.9356 5.9356 5.9485 5.9485 9.5509 9.5509 9.9925 9.9925 13.7207 13.7207 14.1920 14.1920 14.2863 14.2863 14.6919 14.6919 k = 0.1061 0.1837-0.0000 ( 3756 PWs) bands (ev): -30.5799 -30.5799 -13.9645 -13.9645 -12.4650 -12.4650 -12.1712 -12.1712 -12.0090 -12.0090 -11.2617 -11.2617 -11.0793 -11.0793 -10.4080 -10.4080 -9.9642 -9.9642 -9.9189 -9.9189 -4.2788 -4.2788 -1.7345 -1.7345 0.3259 0.3259 0.6814 0.6814 0.8498 0.8498 1.7318 1.7318 2.3635 2.3635 3.4200 3.4200 4.0786 4.0786 4.1704 4.1704 4.4895 4.4895 4.7707 4.7707 4.8108 4.8108 5.0908 5.0908 5.4890 5.4890 5.5843 5.5843 5.9322 5.9322 5.9419 5.9419 9.5049 9.5049 9.9875 9.9875 13.7040 13.7040 14.2420 14.2420 14.3144 14.3144 14.6968 14.6968 k = 0.0985 0.1706-0.0000 ( 3764 PWs) bands (ev): -30.5800 -30.5800 -13.9813 -13.9813 -12.4714 -12.4714 -12.1644 -12.1644 -12.0070 -12.0070 -11.2395 -11.2395 -11.0788 -11.0788 -10.4107 -10.4107 -9.9514 -9.9514 -9.9079 -9.9079 -4.3240 -4.3240 -1.7310 -1.7310 0.3358 0.3358 0.6656 0.6656 0.8118 0.8118 1.7480 1.7480 2.3118 2.3118 3.4775 3.4775 4.0357 4.0357 4.1721 4.1721 4.5035 4.5035 4.7750 4.7750 4.7979 4.7979 5.1607 5.1607 5.5121 5.5121 5.6022 5.6022 5.9241 5.9241 5.9388 5.9388 9.4583 9.4583 9.9822 9.9822 13.6883 13.6883 14.2889 14.2889 14.3437 14.3437 14.6978 14.6978 k = 0.0909 0.1575-0.0000 ( 3762 PWs) bands (ev): -30.5800 -30.5800 -13.9969 -13.9969 -12.4778 -12.4778 -12.1590 -12.1590 -12.0043 -12.0043 -11.2175 -11.2175 -11.0779 -11.0779 -10.4150 -10.4150 -9.9393 -9.9393 -9.8962 -9.8962 -4.3668 -4.3668 -1.7280 -1.7280 0.3466 0.3466 0.6504 0.6504 0.7766 0.7766 1.7641 1.7641 2.2608 2.2608 3.5347 3.5347 3.9920 3.9920 4.1751 4.1751 4.5146 4.5146 4.7760 4.7760 4.7880 4.7880 5.2289 5.2289 5.5349 5.5349 5.6217 5.6217 5.9143 5.9143 5.9365 5.9365 9.4116 9.4116 9.9764 9.9764 13.6737 13.6737 14.3285 14.3285 14.3773 14.3773 14.6951 14.6951 k = 0.0833 0.1443-0.0000 ( 3754 PWs) bands (ev): -30.5800 -30.5800 -14.0114 -14.0114 -12.4839 -12.4839 -12.1548 -12.1548 -12.0011 -12.0011 -11.1962 -11.1962 -11.0767 -11.0767 -10.4206 -10.4206 -9.9278 -9.9278 -9.8844 -9.8844 -4.4069 -4.4069 -1.7256 -1.7256 0.3578 0.3578 0.6359 0.6359 0.7442 0.7442 1.7800 1.7800 2.2110 2.2110 3.5915 3.5915 3.9490 3.9490 4.1791 4.1791 4.5205 4.5205 4.7693 4.7693 4.7873 4.7873 5.2946 5.2946 5.5575 5.5575 5.6426 5.6426 5.9040 5.9040 5.9337 5.9337 9.3653 9.3653 9.9706 9.9706 13.6605 13.6605 14.3576 14.3576 14.4168 14.4168 14.6897 14.6897 k = 0.0758 0.1312-0.0000 ( 3748 PWs) bands (ev): -30.5801 -30.5801 -14.0247 -14.0247 -12.4898 -12.4898 -12.1515 -12.1515 -11.9977 -11.9977 -11.1757 -11.1757 -11.0753 -11.0753 -10.4270 -10.4270 -9.9168 -9.9168 -9.8729 -9.8729 -4.4443 -4.4443 -1.7236 -1.7236 0.3694 0.3694 0.6222 0.6222 0.7148 0.7148 1.7955 1.7955 2.1630 2.1630 3.6476 3.6476 3.9076 3.9076 4.1838 4.1838 4.5192 4.5192 4.7625 4.7625 4.7898 4.7898 5.3569 5.3569 5.5797 5.5797 5.6646 5.6646 5.8936 5.8936 5.9303 5.9303 9.3201 9.3201 9.9646 9.9646 13.6487 13.6487 14.3786 14.3786 14.4572 14.4572 14.6833 14.6833 k = 0.0682 0.1181-0.0000 ( 3752 PWs) bands (ev): -30.5801 -30.5801 -14.0368 -14.0368 -12.4953 -12.4953 -12.1489 -12.1489 -11.9942 -11.9942 -11.1563 -11.1563 -11.0736 -11.0736 -10.4339 -10.4339 -9.9066 -9.9066 -9.8619 -9.8619 -4.4787 -4.4787 -1.7220 -1.7220 0.3809 0.3809 0.6095 0.6095 0.6885 0.6885 1.8105 1.8105 2.1174 2.1174 3.7022 3.7022 3.8692 3.8692 4.1889 4.1889 4.5098 4.5098 4.7595 4.7595 4.7924 4.7924 5.4151 5.4151 5.6012 5.6012 5.6874 5.6874 5.8831 5.8831 5.9261 5.9261 9.2764 9.2764 9.9587 9.9587 13.6383 13.6383 14.3940 14.3940 14.4933 14.4933 14.6782 14.6782 k = 0.0606 0.1050-0.0000 ( 3756 PWs) bands (ev): -30.5801 -30.5801 -14.0477 -14.0477 -12.5003 -12.5003 -12.1470 -12.1470 -11.9909 -11.9909 -11.1384 -11.1384 -11.0718 -11.0718 -10.4409 -10.4409 -9.8970 -9.8970 -9.8518 -9.8518 -4.5100 -4.5100 -1.7208 -1.7208 0.3920 0.3920 0.5978 0.5978 0.6652 0.6652 1.8246 1.8246 2.0748 2.0748 3.7521 3.7521 3.8376 3.8376 4.1942 4.1942 4.4923 4.4923 4.7606 4.7606 4.7949 4.7949 5.4684 5.4684 5.6221 5.6221 5.7103 5.7103 5.8730 5.8730 5.9212 5.9212 9.2349 9.2349 9.9530 9.9530 13.6294 13.6294 14.4046 14.4046 14.5203 14.5203 14.6776 14.6776 k = 0.0530 0.0919-0.0000 ( 3756 PWs) bands (ev): -30.5802 -30.5802 -14.0574 -14.0574 -12.5049 -12.5049 -12.1455 -12.1455 -11.9877 -11.9877 -11.1222 -11.1222 -11.0698 -11.0698 -10.4477 -10.4477 -9.8884 -9.8884 -9.8426 -9.8426 -4.5381 -4.5381 -1.7199 -1.7199 0.4024 0.4024 0.5874 0.5874 0.6452 0.6452 1.8376 1.8376 2.0356 2.0356 3.7735 3.7735 3.8369 3.8369 4.1994 4.1994 4.4678 4.4678 4.7649 4.7649 4.7971 4.7971 5.5163 5.5163 5.6420 5.6420 5.7325 5.7325 5.8636 5.8636 5.9157 5.9157 9.1962 9.1962 9.9477 9.9477 13.6219 13.6219 14.4107 14.4107 14.5353 14.5353 14.6845 14.6845 k = 0.0455 0.0787-0.0000 ( 3758 PWs) bands (ev): -30.5802 -30.5802 -14.0658 -14.0658 -12.5089 -12.5089 -12.1443 -12.1443 -11.9849 -11.9849 -11.1079 -11.1079 -11.0676 -11.0676 -10.4542 -10.4542 -9.8806 -9.8806 -9.8344 -9.8344 -4.5627 -4.5627 -1.7192 -1.7192 0.4116 0.4116 0.5784 0.5784 0.6283 0.6283 1.8492 1.8492 2.0007 2.0007 3.7539 3.7539 3.8799 3.8799 4.2043 4.2043 4.4377 4.4377 4.7709 4.7709 4.7992 4.7992 5.5589 5.5589 5.6607 5.6607 5.7520 5.7520 5.8562 5.8562 5.9098 5.9098 9.1611 9.1611 9.9428 9.9428 13.6157 13.6157 14.4126 14.4126 14.5398 14.5398 14.6981 14.6981 k = 0.0379 0.0656-0.0000 ( 3766 PWs) bands (ev): -30.5802 -30.5802 -14.0729 -14.0729 -12.5124 -12.5124 -12.1434 -12.1434 -11.9824 -11.9824 -11.0959 -11.0959 -11.0652 -11.0652 -10.4600 -10.4600 -9.8740 -9.8740 -9.8274 -9.8274 -4.5837 -4.5837 -1.7186 -1.7186 0.4194 0.4194 0.5709 0.5709 0.6145 0.6145 1.8588 1.8588 1.9708 1.9708 3.7296 3.7296 3.9308 3.9308 4.2089 4.2089 4.4032 4.4032 4.7772 4.7772 4.8012 4.8012 5.5961 5.5961 5.6780 5.6780 5.7659 5.7659 5.8526 5.8526 5.9039 5.9039 9.1300 9.1300 9.9385 9.9385 13.6107 13.6107 14.4109 14.4109 14.5383 14.5383 14.7140 14.7140 k = 0.0303 0.0525-0.0000 ( 3766 PWs) bands (ev): -30.5802 -30.5802 -14.0788 -14.0788 -12.5153 -12.5153 -12.1428 -12.1428 -11.9804 -11.9804 -11.0866 -11.0866 -11.0625 -11.0625 -10.4650 -10.4650 -9.8684 -9.8684 -9.8215 -9.8215 -4.6011 -4.6011 -1.7183 -1.7183 0.4256 0.4256 0.5651 0.5651 0.6036 0.6036 1.8659 1.8659 1.9466 1.9466 3.7080 3.7080 3.9821 3.9821 4.2128 4.2128 4.3655 4.3655 4.7829 4.7829 4.8032 4.8032 5.6286 5.6286 5.6934 5.6934 5.7708 5.7708 5.8547 5.8547 5.8983 5.8983 9.1036 9.1036 9.9348 9.9348 13.6069 13.6069 14.4069 14.4069 14.5350 14.5350 14.7287 14.7287 k = 0.0227 0.0394-0.0000 ( 3782 PWs) bands (ev): -30.5802 -30.5802 -14.0834 -14.0834 -12.5176 -12.5176 -12.1423 -12.1423 -11.9788 -11.9788 -11.0800 -11.0800 -11.0595 -11.0595 -10.4690 -10.4690 -9.8641 -9.8641 -9.8169 -9.8169 -4.6147 -4.6147 -1.7180 -1.7180 0.4301 0.4301 0.5609 0.5609 0.5955 0.5955 1.8698 1.8698 1.9292 1.9292 3.6905 3.6905 4.0327 4.0327 4.2159 4.2159 4.3254 4.3254 4.7873 4.7873 4.8053 4.8053 5.6568 5.6568 5.7065 5.7065 5.7669 5.7669 5.8607 5.8607 5.8941 5.8941 9.0824 9.0824 9.9319 9.9319 13.6041 13.6041 14.4019 14.4019 14.5317 14.5317 14.7402 14.7402 k = 0.0152 0.0262-0.0000 ( 3785 PWs) bands (ev): -30.5802 -30.5802 -14.0866 -14.0866 -12.5193 -12.5193 -12.1420 -12.1420 -11.9776 -11.9776 -11.0760 -11.0760 -11.0565 -11.0565 -10.4720 -10.4720 -9.8609 -9.8609 -9.8136 -9.8136 -4.6245 -4.6245 -1.7178 -1.7178 0.4331 0.4331 0.5581 0.5581 0.5899 0.5899 1.8700 1.8700 1.9191 1.9191 3.6778 3.6778 4.0814 4.0814 4.2183 4.2183 4.2840 4.2840 4.7902 4.7902 4.8073 4.8073 5.6814 5.6814 5.7166 5.7166 5.7571 5.7571 5.8660 5.8660 5.8925 5.8925 9.0669 9.0669 9.9297 9.9297 13.6022 13.6022 14.3973 14.3973 14.5292 14.5292 14.7482 14.7482 k = 0.0076 0.0131-0.0000 ( 3785 PWs) bands (ev): -30.5802 -30.5802 -14.0886 -14.0886 -12.5202 -12.5202 -12.1418 -12.1418 -11.9769 -11.9769 -11.0739 -11.0739 -11.0544 -11.0544 -10.4738 -10.4738 -9.8591 -9.8591 -9.8116 -9.8116 -4.6304 -4.6304 -1.7177 -1.7177 0.4347 0.4347 0.5565 0.5565 0.5866 0.5866 1.8684 1.8684 1.9148 1.9148 3.6700 3.6700 4.1259 4.1259 4.2197 4.2197 4.2439 4.2439 4.7918 4.7918 4.8088 4.8088 5.7022 5.7022 5.7230 5.7230 5.7442 5.7442 5.8682 5.8682 5.8931 5.8931 9.0575 9.0575 9.9284 9.9284 13.6011 13.6011 14.3941 14.3941 14.5277 14.5277 14.7527 14.7527 k = 0.0000 0.0000 0.0000 ( 3777 PWs) bands (ev): -30.5802 -30.5802 -14.0893 -14.0893 -12.5205 -12.5205 -12.1417 -12.1417 -11.9766 -11.9766 -11.0733 -11.0733 -11.0536 -11.0536 -10.4744 -10.4744 -9.8584 -9.8584 -9.8109 -9.8109 -4.6324 -4.6324 -1.7177 -1.7177 0.4353 0.4353 0.5560 0.5560 0.5856 0.5856 1.8675 1.8675 1.9138 1.9138 3.6674 3.6674 4.1509 4.1509 4.2188 4.2188 4.2217 4.2217 4.7923 4.7923 4.8093 4.8093 5.7142 5.7142 5.7249 5.7249 5.7350 5.7350 5.8686 5.8686 5.8938 5.8938 9.0543 9.0543 9.9280 9.9280 13.6007 13.6007 14.3930 14.3930 14.5272 14.5272 14.7540 14.7545 k = 0.0000 0.0000 0.0000 ( 3777 PWs) bands (ev): -30.5802 -30.5802 -14.0893 -14.0893 -12.5205 -12.5205 -12.1417 -12.1417 -11.9766 -11.9766 -11.0733 -11.0733 -11.0536 -11.0536 -10.4744 -10.4744 -9.8584 -9.8584 -9.8109 -9.8109 -4.6324 -4.6324 -1.7177 -1.7177 0.4353 0.4353 0.5560 0.5560 0.5856 0.5856 1.8675 1.8675 1.9138 1.9138 3.6674 3.6674 4.1509 4.1509 4.2188 4.2188 4.2217 4.2217 4.7923 4.7923 4.8093 4.8093 5.7142 5.7142 5.7249 5.7249 5.7350 5.7350 5.8686 5.8686 5.8938 5.8938 9.0543 9.0543 9.9280 9.9280 13.6007 13.6007 14.3930 14.3930 14.5272 14.5272 14.7540 14.7545 k = 0.0000 0.0000 0.0153 ( 3789 PWs) bands (ev): -30.5802 -30.5802 -14.0897 -14.0897 -12.5193 -12.5193 -12.1418 -12.1418 -11.9770 -11.9770 -11.0724 -11.0724 -11.0527 -11.0527 -10.4758 -10.4758 -9.8592 -9.8592 -9.8117 -9.8117 -4.6323 -4.6323 -1.7162 -1.7162 0.4351 0.4351 0.5565 0.5565 0.5863 0.5863 1.8668 1.8668 1.9130 1.9130 3.6683 3.6683 4.1492 4.1492 4.2195 4.2195 4.2224 4.2224 4.7915 4.7915 4.8085 4.8085 5.7143 5.7143 5.7224 5.7224 5.7352 5.7352 5.8688 5.8688 5.8941 5.8941 9.0570 9.0570 9.9291 9.9291 13.5995 13.5995 14.3942 14.3942 14.5282 14.5282 14.7458 14.7458 k = 0.0000 0.0000 0.0307 ( 3789 PWs) bands (ev): -30.5802 -30.5802 -14.0911 -14.0911 -12.5155 -12.5155 -12.1420 -12.1420 -11.9778 -11.9778 -11.0700 -11.0700 -11.0499 -11.0499 -10.4799 -10.4799 -9.8614 -9.8614 -9.8140 -9.8140 -4.6320 -4.6320 -1.7115 -1.7115 0.4347 0.4347 0.5579 0.5579 0.5887 0.5887 1.8647 1.8647 1.9109 1.9109 3.6712 3.6712 4.1442 4.1442 4.2216 4.2216 4.2245 4.2245 4.7892 4.7892 4.8062 4.8062 5.7135 5.7135 5.7159 5.7159 5.7357 5.7357 5.8695 5.8695 5.8948 5.8948 9.0650 9.0650 9.9324 9.9324 13.5958 13.5958 14.3978 14.3978 14.5310 14.5310 14.7226 14.7226 k = 0.0000 0.0000 0.0460 ( 3789 PWs) bands (ev): -30.5802 -30.5802 -14.0935 -14.0935 -12.5091 -12.5091 -12.1423 -12.1423 -11.9793 -11.9793 -11.0660 -11.0660 -11.0453 -11.0453 -10.4867 -10.4867 -9.8651 -9.8651 -9.8178 -9.8178 -4.6315 -4.6315 -1.7038 -1.7038 0.4340 0.4340 0.5604 0.5604 0.5926 0.5926 1.8612 1.8612 1.9074 1.9074 3.6758 3.6758 4.1360 4.1360 4.2250 4.2250 4.2278 4.2278 4.7855 4.7855 4.8023 4.8023 5.7016 5.7016 5.7158 5.7158 5.7366 5.7366 5.8708 5.8708 5.8959 5.8959 9.0781 9.0781 9.9379 9.9379 13.5898 13.5898 14.4038 14.4038 14.5351 14.5351 14.6879 14.6879 k = 0.0000 0.0000 0.0613 ( 3777 PWs) bands (ev): -30.5802 -30.5802 -14.0966 -14.0966 -12.5003 -12.5003 -12.1426 -12.1426 -11.9813 -11.9813 -11.0604 -11.0604 -11.0390 -11.0390 -10.4961 -10.4961 -9.8703 -9.8703 -9.8231 -9.8231 -4.6308 -4.6308 -1.6931 -1.6931 0.4328 0.4328 0.5640 0.5640 0.5980 0.5980 1.8565 1.8565 1.9026 1.9026 3.6824 3.6824 4.1245 4.1245 4.2297 4.2297 4.2324 4.2324 4.7803 4.7803 4.7970 4.7970 5.6841 5.6841 5.7167 5.7167 5.7377 5.7377 5.8725 5.8725 5.8976 5.8976 9.0961 9.0961 9.9456 9.9456 13.5815 13.5815 14.4118 14.4118 14.5393 14.5393 14.6453 14.6453 k = 0.0000 0.0000 0.0767 ( 3777 PWs) bands (ev): -30.5802 -30.5802 -14.1006 -14.1006 -12.4892 -12.4892 -12.1429 -12.1429 -11.9838 -11.9838 -11.0532 -11.0532 -11.0308 -11.0308 -10.5083 -10.5083 -9.8770 -9.8770 -9.8299 -9.8299 -4.6299 -4.6299 -1.6796 -1.6796 0.4310 0.4310 0.5688 0.5688 0.6049 0.6049 1.8505 1.8505 1.8965 1.8965 3.6908 3.6908 4.1098 4.1098 4.2355 4.2355 4.2380 4.2380 4.7739 4.7739 4.7904 4.7904 5.6620 5.6620 5.7180 5.7180 5.7391 5.7391 5.8748 5.8748 5.8997 5.8997 9.1188 9.1188 9.9553 9.9553 13.5709 13.5709 14.4213 14.4213 14.5399 14.5399 14.5980 14.5980 k = 0.0000 0.0000 0.0920 ( 3765 PWs) bands (ev): -30.5802 -30.5802 -14.1054 -14.1054 -12.4759 -12.4759 -12.1431 -12.1431 -11.9867 -11.9867 -11.0445 -11.0445 -11.0210 -11.0210 -10.5230 -10.5230 -9.8851 -9.8851 -9.8382 -9.8382 -4.6288 -4.6288 -1.6632 -1.6632 0.4287 0.4287 0.5749 0.5749 0.6132 0.6132 1.8434 1.8434 1.8892 1.8892 3.7010 3.7010 4.0920 4.0920 4.2421 4.2421 4.2445 4.2445 4.7664 4.7664 4.7827 4.7827 5.6357 5.6357 5.7194 5.7194 5.7408 5.7408 5.8776 5.8776 5.9022 5.9022 9.1457 9.1457 9.9670 9.9670 13.5584 13.5584 14.4305 14.4305 14.5296 14.5296 14.5498 14.5498 k = 0.0000 0.0000 0.1073 ( 3771 PWs) bands (ev): -30.5802 -30.5802 -14.1108 -14.1108 -12.4606 -12.4606 -12.1430 -12.1430 -11.9901 -11.9901 -11.0344 -11.0344 -11.0095 -11.0095 -10.5402 -10.5402 -9.8946 -9.8946 -9.8479 -9.8479 -4.6276 -4.6276 -1.6441 -1.6441 0.4256 0.4256 0.5823 0.5823 0.6228 0.6228 1.8352 1.8352 1.8809 1.8809 3.7129 3.7129 4.0713 4.0713 4.2494 4.2494 4.2517 4.2517 4.7580 4.7580 4.7739 4.7739 5.6055 5.6055 5.7210 5.7210 5.7427 5.7427 5.8809 5.8809 5.9053 5.9053 9.1764 9.1764 9.9806 9.9806 13.5439 13.5439 14.4319 14.4319 14.5021 14.5021 14.5095 14.5095 k = 0.0000 0.0000 0.1227 ( 3753 PWs) bands (ev): -30.5802 -30.5802 -14.1169 -14.1169 -12.4436 -12.4436 -12.1425 -12.1425 -11.9939 -11.9939 -11.0229 -11.0229 -10.9965 -10.9965 -10.5598 -10.5598 -9.9054 -9.9054 -9.8591 -9.8591 -4.6262 -4.6262 -1.6225 -1.6225 0.4218 0.4218 0.5911 0.5911 0.6337 0.6337 1.8261 1.8261 1.8716 1.8716 3.7267 3.7267 4.0478 4.0478 4.2572 4.2572 4.2592 4.2592 4.7489 4.7489 4.7645 4.7645 5.5718 5.5718 5.7229 5.7229 5.7448 5.7448 5.8848 5.8848 5.9088 5.9088 9.2105 9.2105 9.9959 9.9959 13.5278 13.5278 14.4056 14.4056 14.4620 14.4620 14.4978 14.4978 k = 0.0000 0.0000 0.1380 ( 3765 PWs) bands (ev): -30.5802 -30.5802 -14.1234 -14.1234 -12.4251 -12.4251 -12.1413 -12.1413 -11.9979 -11.9979 -11.0100 -11.0100 -10.9820 -10.9820 -10.5818 -10.5818 -9.9176 -9.9176 -9.8716 -9.8716 -4.6246 -4.6246 -1.5986 -1.5986 0.4173 0.4173 0.6011 0.6011 0.6458 0.6458 1.8161 1.8161 1.8615 1.8615 3.7421 3.7421 4.0216 4.0216 4.2651 4.2651 4.2668 4.2668 4.7394 4.7394 4.7545 4.7545 5.5351 5.5351 5.7248 5.7248 5.7470 5.7470 5.8892 5.8892 5.9127 5.9127 9.2476 9.2476 10.0128 10.0128 13.5101 13.5101 14.3576 14.3576 14.4156 14.4156 14.5091 14.5091 k = 0.0000 0.0000 0.1533 ( 3765 PWs) bands (ev): -30.5802 -30.5802 -14.1304 -14.1304 -12.4056 -12.4056 -12.1391 -12.1391 -12.0023 -12.0023 -10.9959 -10.9959 -10.9660 -10.9660 -10.6061 -10.6061 -9.9310 -9.9310 -9.8854 -9.8854 -4.6229 -4.6229 -1.5725 -1.5725 0.4122 0.4122 0.6123 0.6123 0.6590 0.6590 1.8055 1.8055 1.8507 1.8507 3.7592 3.7592 3.9931 3.9931 4.2728 4.2728 4.2742 4.2742 4.7297 4.7297 4.7444 4.7444 5.4957 5.4957 5.7268 5.7268 5.7493 5.7493 5.8941 5.8941 5.9172 5.9172 9.2871 9.2871 10.0311 10.0311 13.4911 13.4911 14.3037 14.3037 14.3661 14.3661 14.5283 14.5283 k = 0.0000 0.0000 0.1687 ( 3765 PWs) bands (ev): -30.5802 -30.5802 -14.1377 -14.1377 -12.3856 -12.3856 -12.1354 -12.1354 -12.0068 -12.0068 -10.9807 -10.9807 -10.9487 -10.9487 -10.6324 -10.6324 -9.9457 -9.9457 -9.9006 -9.9006 -4.6212 -4.6212 -1.5445 -1.5445 0.4064 0.4064 0.6246 0.6246 0.6730 0.6730 1.7943 1.7943 1.8393 1.8393 3.7777 3.7777 3.9625 3.9625 4.2800 4.2800 4.2811 4.2811 4.7203 4.7203 4.7343 4.7343 5.4541 5.4541 5.7288 5.7288 5.7516 5.7516 5.8995 5.8995 5.9220 5.9220 9.3285 9.3285 10.0506 10.0506 13.4709 13.4709 14.2485 14.2485 14.3153 14.3153 14.5509 14.5509 k = 0.0000 0.0000 0.1840 ( 3765 PWs) bands (ev): -30.5801 -30.5801 -14.1453 -14.1453 -12.3656 -12.3656 -12.1298 -12.1298 -12.0115 -12.0115 -10.9644 -10.9644 -10.9302 -10.9302 -10.6608 -10.6608 -9.9615 -9.9615 -9.9169 -9.9169 -4.6193 -4.6193 -1.5148 -1.5148 0.4002 0.4002 0.6379 0.6379 0.6880 0.6880 1.7826 1.7826 1.8275 1.8275 3.7972 3.7972 3.9305 3.9305 4.2863 4.2863 4.2870 4.2870 4.7114 4.7114 4.7248 4.7248 5.4105 5.4105 5.7309 5.7309 5.7540 5.7540 5.9053 5.9053 5.9273 5.9273 9.3714 9.3714 10.0712 10.0712 13.4499 13.4499 14.1933 14.1933 14.2640 14.2640 14.5758 14.5758 k = 0.0000 0.0000 0.1993 ( 3777 PWs) bands (ev): -30.5801 -30.5801 -14.1530 -14.1530 -12.3464 -12.3464 -12.1215 -12.1215 -12.0163 -12.0163 -10.9473 -10.9473 -10.9104 -10.9104 -10.6909 -10.6909 -9.9785 -9.9785 -9.9345 -9.9345 -4.6173 -4.6173 -1.4837 -1.4837 0.3935 0.3935 0.6520 0.6520 0.7036 0.7036 1.7707 1.7707 1.8154 1.8154 3.8166 3.8166 3.8985 3.8985 4.2914 4.2914 4.2916 4.2916 4.7033 4.7033 4.7159 4.7159 5.3654 5.3654 5.7329 5.7329 5.7564 5.7564 5.9115 5.9115 5.9330 5.9330 9.4154 9.4154 10.0927 10.0927 13.4281 13.4281 14.1389 14.1389 14.2129 14.2129 14.6025 14.6025 k = 0.0000 0.0000 0.2146 ( 3765 PWs) bands (ev): -30.5801 -30.5801 -14.1608 -14.1608 -12.3288 -12.3288 -12.1098 -12.1098 -12.0210 -12.0210 -10.9296 -10.9296 -10.8896 -10.8896 -10.7225 -10.7225 -9.9965 -9.9965 -9.9532 -9.9532 -4.6153 -4.6153 -1.4514 -1.4514 0.3864 0.3864 0.6668 0.6668 0.7198 0.7198 1.7587 1.7587 1.8031 1.8031 3.8276 3.8276 3.8750 3.8750 4.2947 4.2947 4.2951 4.2951 4.6964 4.6964 4.7083 4.7083 5.3191 5.3191 5.7349 5.7349 5.7587 5.7587 5.9180 5.9180 5.9390 5.9390 9.4598 9.4598 10.1147 10.1147 13.4059 13.4059 14.0857 14.0857 14.1625 14.1625 14.6305 14.6305 k = 0.0000 0.0000 0.2300 ( 3759 PWs) bands (ev): -30.5801 -30.5801 -14.1686 -14.1686 -12.3135 -12.3135 -12.0941 -12.0941 -12.0258 -12.0258 -10.9120 -10.9120 -10.8677 -10.8677 -10.7549 -10.7549 -10.0155 -10.0155 -9.9729 -9.9729 -4.6133 -4.6133 -1.4183 -1.4183 0.3792 0.3792 0.6820 0.6820 0.7363 0.7363 1.7465 1.7465 1.7908 1.7908 3.8084 3.8084 3.8821 3.8821 4.2960 4.2960 4.2969 4.2969 4.6910 4.6910 4.7019 4.7019 5.2718 5.2718 5.7369 5.7369 5.7610 5.7610 5.9249 5.9249 5.9453 5.9453 9.5044 9.5044 10.1372 10.1372 13.3833 13.3833 14.0340 14.0340 14.1132 14.1132 14.6597 14.6597 k = 0.0000 0.0000 0.2453 ( 3759 PWs) bands (ev): -30.5801 -30.5801 -14.1763 -14.1763 -12.3009 -12.3009 -12.0741 -12.0741 -12.0305 -12.0305 -10.8960 -10.8960 -10.8450 -10.8450 -10.7865 -10.7865 -10.0354 -10.0354 -9.9937 -9.9937 -4.6112 -4.6112 -1.3846 -1.3846 0.3717 0.3717 0.6976 0.6976 0.7531 0.7531 1.7345 1.7345 1.7787 1.7787 3.7741 3.7741 3.9050 3.9050 4.2954 4.2954 4.2968 4.2968 4.6871 4.6871 4.6971 4.6971 5.2238 5.2238 5.7388 5.7388 5.7632 5.7632 5.9320 5.9320 5.9519 5.9519 9.5487 9.5487 10.1599 10.1599 13.3607 13.3607 13.9841 13.9841 14.0654 14.0654 14.6895 14.6895 k = 0.0000 0.0000 0.2606 ( 3753 PWs) bands (ev): -30.5801 -30.5801 -14.1838 -14.1838 -12.2912 -12.2912 -12.0496 -12.0496 -12.0351 -12.0351 -10.8872 -10.8872 -10.8214 -10.8214 -10.8116 -10.8116 -10.0561 -10.0561 -10.0154 -10.0154 -4.6091 -4.6091 -1.3507 -1.3507 0.3643 0.3643 0.7134 0.7134 0.7700 0.7700 1.7227 1.7227 1.7667 1.7667 3.7368 3.7368 3.9320 3.9320 4.2928 4.2928 4.2948 4.2948 4.6849 4.6849 4.6940 4.6940 5.1754 5.1754 5.7406 5.7406 5.7653 5.7653 5.9392 5.9392 5.9586 5.9586 9.5922 9.5922 10.1825 10.1825 13.3383 13.3383 13.9362 13.9362 14.0192 14.0192 14.7199 14.7199 k = 0.0000 0.0000 0.2760 ( 3735 PWs) bands (ev): -30.5800 -30.5800 -14.1910 -14.1910 -12.2840 -12.2840 -12.0395 -12.0395 -12.0211 -12.0211 -10.8989 -10.8989 -10.8171 -10.8171 -10.7970 -10.7970 -10.0775 -10.0775 -10.0379 -10.0379 -4.6071 -4.6071 -1.3170 -1.3170 0.3569 0.3569 0.7291 0.7291 0.7867 0.7867 1.7112 1.7112 1.7550 1.7550 3.6987 3.6987 3.9611 3.9611 4.2885 4.2885 4.2910 4.2910 4.6843 4.6843 4.6924 4.6924 5.1268 5.1268 5.7424 5.7424 5.7674 5.7674 5.9465 5.9465 5.9654 5.9654 9.6346 9.6346 10.2049 10.2049 13.3162 13.3162 13.8907 13.8907 13.9751 13.9751 14.7504 14.7504 k = 0.0000 0.0000 0.2913 ( 3735 PWs) bands (ev): -30.5800 -30.5800 -14.1980 -14.1980 -12.2790 -12.2790 -12.0437 -12.0437 -11.9891 -11.9891 -10.9295 -10.9295 -10.8044 -10.8044 -10.7720 -10.7720 -10.0996 -10.0996 -10.0613 -10.0613 -4.6051 -4.6051 -1.2837 -1.2837 0.3497 0.3497 0.7446 0.7446 0.8032 0.8032 1.7002 1.7002 1.7438 1.7438 3.6608 3.6608 3.9917 3.9917 4.2824 4.2824 4.2854 4.2854 4.6851 4.6851 4.6924 4.6924 5.0780 5.0780 5.7440 5.7440 5.7692 5.7692 5.9538 5.9538 5.9722 5.9722 9.6755 9.6755 10.2267 10.2267 13.2946 13.2946 13.8476 13.8476 13.9332 13.9332 14.7808 14.7808 k = 0.0000 0.0000 0.3066 ( 3735 PWs) bands (ev): -30.5800 -30.5800 -14.2047 -14.2047 -12.2756 -12.2756 -12.0477 -12.0477 -11.9542 -11.9542 -10.9675 -10.9675 -10.7852 -10.7852 -10.7465 -10.7465 -10.1221 -10.1221 -10.0852 -10.0852 -4.6032 -4.6032 -1.2512 -1.2512 0.3427 0.3427 0.7597 0.7597 0.8192 0.8192 1.6896 1.6896 1.7332 1.7332 3.6235 3.6235 4.0237 4.0237 4.2751 4.2751 4.2785 4.2785 4.6871 4.6871 4.6936 4.6936 5.0293 5.0293 5.7455 5.7455 5.7710 5.7710 5.9610 5.9610 5.9789 5.9789 9.7146 9.7146 10.2478 10.2478 13.2739 13.2739 13.8072 13.8072 13.8937 13.8937 14.8106 14.8106 k = 0.0000 0.0000 0.3220 ( 3735 PWs) bands (ev): -30.5800 -30.5800 -14.2109 -14.2109 -12.2735 -12.2735 -12.0515 -12.0515 -11.9167 -11.9167 -11.0086 -11.0086 -10.7636 -10.7636 -10.7205 -10.7205 -10.1451 -10.1451 -10.1098 -10.1098 -4.6014 -4.6014 -1.2200 -1.2200 0.3360 0.3360 0.7743 0.7743 0.8346 0.8346 1.6797 1.6797 1.7231 1.7231 3.5876 3.5876 4.0568 4.0568 4.2669 4.2669 4.2705 4.2705 4.6900 4.6900 4.6959 4.6959 4.9809 4.9809 5.7468 5.7468 5.7726 5.7726 5.9679 5.9679 5.9855 5.9855 9.7515 9.7515 10.2680 10.2680 13.2540 13.2540 13.7697 13.7697 13.8570 13.8570 14.8396 14.8396 k = 0.0000 0.0000 0.3373 ( 3735 PWs) bands (ev): -30.5800 -30.5800 -14.2167 -14.2167 -12.2722 -12.2722 -12.0550 -12.0550 -11.8772 -11.8772 -11.0514 -11.0514 -10.7411 -10.7411 -10.6942 -10.6942 -10.1682 -10.1682 -10.1348 -10.1348 -4.5997 -4.5997 -1.1903 -1.1903 0.3297 0.3297 0.7880 0.7880 0.8491 0.8491 1.6705 1.6705 1.7138 1.7138 3.5533 3.5533 4.0909 4.0909 4.2581 4.2581 4.2619 4.2619 4.6936 4.6936 4.6989 4.6989 4.9329 4.9329 5.7481 5.7481 5.7740 5.7740 5.9746 5.9746 5.9918 5.9918 9.7859 9.7859 10.2870 10.2870 13.2354 13.2354 13.7352 13.7352 13.8231 13.8231 14.8671 14.8671 k = 0.0000 0.0000 0.3526 ( 3729 PWs) bands (ev): -30.5800 -30.5800 -14.2219 -14.2219 -12.2715 -12.2715 -12.0581 -12.0581 -11.8360 -11.8360 -11.0956 -11.0956 -10.7183 -10.7183 -10.6678 -10.6678 -10.1913 -10.1913 -10.1601 -10.1601 -4.5981 -4.5981 -1.1626 -1.1626 0.3238 0.3238 0.8009 0.8009 0.8627 0.8627 1.6620 1.6620 1.7053 1.7053 3.5212 3.5212 4.1259 4.1259 4.2491 4.2491 4.2530 4.2530 4.6976 4.6976 4.7023 4.7023 4.8856 4.8856 5.7493 5.7493 5.7753 5.7753 5.9809 5.9809 5.9977 5.9977 9.8176 9.8176 10.3045 10.3045 13.2181 13.2181 13.7040 13.7040 13.7923 13.7923 14.8769 14.8769 k = 0.0000 0.0000 0.3680 ( 3729 PWs) bands (ev): -30.5800 -30.5800 -14.2267 -14.2267 -12.2713 -12.2713 -12.0610 -12.0610 -11.7933 -11.7933 -11.1408 -11.1408 -10.6955 -10.6955 -10.6414 -10.6414 -10.2142 -10.2142 -10.1855 -10.1855 -4.5967 -4.5967 -1.1371 -1.1371 0.3185 0.3185 0.8127 0.8127 0.8751 0.8751 1.6544 1.6544 1.6976 1.6976 3.4917 3.4917 4.1614 4.1614 4.2404 4.2404 4.2443 4.2443 4.7016 4.7016 4.7059 4.7059 4.8391 4.8391 5.7503 5.7503 5.7765 5.7765 5.9867 5.9867 6.0032 6.0032 9.8462 9.8462 10.3205 10.3205 13.2023 13.2023 13.6760 13.6760 13.7647 13.7647 14.8756 14.8756 k = 0.0000 0.0000 0.3833 ( 3711 PWs) bands (ev): -30.5799 -30.5799 -14.2308 -14.2308 -12.2713 -12.2713 -12.0635 -12.0635 -11.7495 -11.7495 -11.1867 -11.1867 -10.6732 -10.6732 -10.6153 -10.6153 -10.2365 -10.2365 -10.2107 -10.2107 -4.5954 -4.5954 -1.1143 -1.1143 0.3138 0.3138 0.8233 0.8233 0.8862 0.8862 1.6477 1.6477 1.6908 1.6908 3.4653 3.4653 4.1969 4.1969 4.2324 4.2324 4.2361 4.2361 4.7055 4.7055 4.7095 4.7095 4.7938 4.7938 5.7512 5.7512 5.7775 5.7775 5.9919 5.9919 6.0082 6.0082 9.8715 9.8715 10.3349 10.3349 13.1883 13.1883 13.6516 13.6516 13.7405 13.7405 14.8744 14.8744 k = 0.0000 0.0000 0.3986 ( 3717 PWs) bands (ev): -30.5799 -30.5799 -14.2344 -14.2344 -12.2714 -12.2714 -12.0656 -12.0656 -11.7047 -11.7047 -11.2333 -11.2333 -10.6519 -10.6519 -10.5898 -10.5898 -10.2577 -10.2577 -10.2354 -10.2354 -4.5943 -4.5943 -1.0944 -1.0944 0.3097 0.3097 0.8324 0.8324 0.8958 0.8958 1.6419 1.6419 1.6849 1.6849 3.4422 3.4422 4.2226 4.2226 4.2285 4.2285 4.2350 4.2350 4.7089 4.7089 4.7129 4.7129 4.7503 4.7503 5.7519 5.7519 5.7783 5.7783 5.9965 5.9965 6.0125 6.0125 9.8933 9.8933 10.3472 10.3472 13.1761 13.1761 13.6307 13.6307 13.7198 13.7198 14.8731 14.8731 k = 0.0000 0.0000 0.4140 ( 3693 PWs) bands (ev): -30.5799 -30.5799 -14.2374 -14.2374 -12.2716 -12.2716 -12.0673 -12.0673 -11.6590 -11.6590 -11.2803 -11.2803 -10.6322 -10.6322 -10.5656 -10.5656 -10.2773 -10.2773 -10.2590 -10.2590 -4.5933 -4.5933 -1.0777 -1.0777 0.3063 0.3063 0.8401 0.8401 0.9039 0.9039 1.6372 1.6372 1.6801 1.6801 3.4228 3.4228 4.2175 4.2175 4.2220 4.2220 4.2684 4.2684 4.7061 4.7061 4.7150 4.7150 4.7158 4.7158 5.7525 5.7525 5.7790 5.7790 6.0004 6.0004 6.0162 6.0162 9.9114 9.9114 10.3575 10.3575 13.1660 13.1660 13.6135 13.6135 13.7028 13.7028 14.8721 14.8721 k = 0.0000 0.0000 0.4293 ( 3693 PWs) bands (ev): -30.5799 -30.5799 -14.2397 -14.2397 -12.2718 -12.2718 -12.0687 -12.0687 -11.6127 -11.6127 -11.3276 -11.3276 -10.6150 -10.6150 -10.5436 -10.5436 -10.2945 -10.2945 -10.2806 -10.2806 -4.5926 -4.5926 -1.0645 -1.0645 0.3036 0.3036 0.8462 0.8462 0.9103 0.9103 1.6334 1.6334 1.6763 1.6763 3.4074 3.4074 4.2124 4.2124 4.2168 4.2168 4.3009 4.3009 4.6705 4.6705 4.7155 4.7155 4.7183 4.7183 5.7530 5.7530 5.7796 5.7796 6.0035 6.0035 6.0191 6.0191 9.9257 9.9257 10.3656 10.3656 13.1579 13.1579 13.6000 13.6000 13.6894 13.6894 14.8712 14.8712 k = 0.0000 0.0000 0.4446 ( 3693 PWs) bands (ev): -30.5799 -30.5799 -14.2414 -14.2414 -12.2720 -12.2720 -12.0697 -12.0697 -11.5659 -11.5659 -11.3751 -11.3751 -10.6014 -10.6014 -10.5251 -10.5251 -10.3081 -10.3081 -10.2987 -10.2987 -4.5921 -4.5921 -1.0549 -1.0549 0.3017 0.3017 0.8506 0.8506 0.9150 0.9150 1.6307 1.6307 1.6736 1.6736 3.3962 3.3962 4.2086 4.2086 4.2129 4.2129 4.3291 4.3291 4.6387 4.6387 4.7173 4.7173 4.7201 4.7201 5.7533 5.7533 5.7800 5.7800 6.0057 6.0057 6.0212 6.0212 9.9360 9.9360 10.3715 10.3715 13.1521 13.1521 13.5904 13.5904 13.6797 13.6797 14.8706 14.8706 k = 0.0000 0.0000 0.4600 ( 3704 PWs) bands (ev): -30.5799 -30.5799 -14.2424 -14.2424 -12.2722 -12.2722 -12.0703 -12.0703 -11.5190 -11.5190 -11.4225 -11.4225 -10.5925 -10.5925 -10.5124 -10.5124 -10.3169 -10.3169 -10.3112 -10.3112 -4.5918 -4.5918 -1.0490 -1.0490 0.3005 0.3005 0.8533 0.8533 0.9178 0.9178 1.6291 1.6291 1.6720 1.6720 3.3894 3.3894 4.2062 4.2062 4.2105 4.2105 4.3493 4.3493 4.6163 4.6163 4.7184 4.7184 4.7212 4.7212 5.7535 5.7535 5.7802 5.7802 6.0070 6.0070 6.0225 6.0225 9.9422 9.9422 10.3751 10.3751 13.1486 13.1486 13.5845 13.5845 13.6739 13.6739 14.8702 14.8702 k = 0.0000 0.0000 0.4753 ( 3716 PWs) bands (ev): -30.5799 -30.5799 -14.2427 -14.2427 -12.2722 -12.2722 -12.0706 -12.0706 -11.4788 -11.4788 -11.4629 -11.4629 -10.5895 -10.5895 -10.5078 -10.5078 -10.3200 -10.3200 -10.3158 -10.3158 -4.5917 -4.5917 -1.0471 -1.0471 0.3001 0.3001 0.8542 0.8542 0.9187 0.9187 1.6285 1.6285 1.6714 1.6714 3.3872 3.3872 4.2054 4.2054 4.2097 4.2097 4.3569 4.3569 4.6080 4.6080 4.7188 4.7188 4.7215 4.7215 5.7536 5.7536 5.7803 5.7803 6.0075 6.0075 6.0230 6.0230 9.9442 9.9442 10.3762 10.3762 13.1474 13.1474 13.5826 13.5826 13.6720 13.6720 14.8699 14.8699 k = 0.0000 0.0000 0.4753 ( 3716 PWs) bands (ev): -30.5799 -30.5799 -14.2427 -14.2427 -12.2722 -12.2722 -12.0706 -12.0706 -11.4788 -11.4788 -11.4629 -11.4629 -10.5895 -10.5895 -10.5078 -10.5078 -10.3200 -10.3200 -10.3158 -10.3158 -4.5917 -4.5917 -1.0471 -1.0471 0.3001 0.3001 0.8542 0.8542 0.9187 0.9187 1.6285 1.6285 1.6714 1.6714 3.3872 3.3872 4.2054 4.2054 4.2097 4.2097 4.3569 4.3569 4.6080 4.6080 4.7188 4.7188 4.7215 4.7215 5.7536 5.7536 5.7803 5.7803 6.0075 6.0075 6.0230 6.0230 9.9442 9.9442 10.3762 10.3762 13.1474 13.1474 13.5826 13.5826 13.6720 13.6720 14.8699 14.8699 k = 0.0132 0.0076 0.4753 ( 3720 PWs) bands (ev): -30.5799 -30.5799 -14.2418 -14.2418 -12.2726 -12.2726 -12.0710 -12.0710 -11.4780 -11.4780 -11.4632 -11.4632 -10.5927 -10.5927 -10.5121 -10.5121 -10.3166 -10.3166 -10.3133 -10.3133 -4.5895 -4.5895 -1.0483 -1.0483 0.2988 0.2988 0.8542 0.8542 0.9187 0.9187 1.6305 1.6305 1.6734 1.6734 3.3882 3.3882 4.2054 4.2054 4.2097 4.2097 4.3584 4.3584 4.5950 4.5950 4.7199 4.7199 4.7330 4.7330 5.7511 5.7511 5.7777 5.7777 6.0074 6.0074 6.0227 6.0227 9.9444 9.9444 10.3761 10.3761 13.1502 13.1502 13.5832 13.5832 13.6724 13.6724 14.8697 14.8697 k = 0.0263 0.0152 0.4753 ( 3718 PWs) bands (ev): -30.5799 -30.5799 -14.2392 -14.2392 -12.2736 -12.2736 -12.0724 -12.0724 -11.4765 -11.4765 -11.4635 -11.4635 -10.6020 -10.6020 -10.5241 -10.5241 -10.3089 -10.3089 -10.3043 -10.3043 -4.5832 -4.5832 -1.0521 -1.0521 0.2950 0.2950 0.8539 0.8539 0.9189 0.9189 1.6356 1.6356 1.6803 1.6803 3.3915 3.3915 4.2053 4.2053 4.2101 4.2101 4.3631 4.3631 4.5659 4.5659 4.7195 4.7195 4.7613 4.7613 5.7432 5.7432 5.7706 5.7706 6.0070 6.0070 6.0223 6.0223 9.9449 9.9449 10.3758 10.3758 13.1584 13.1584 13.5851 13.5851 13.6736 13.6736 14.8692 14.8692 k = 0.0395 0.0228 0.4753 ( 3720 PWs) bands (ev): -30.5799 -30.5799 -14.2347 -14.2347 -12.2753 -12.2753 -12.0748 -12.0748 -11.4770 -11.4770 -11.4608 -11.4608 -10.6167 -10.6167 -10.5418 -10.5418 -10.2993 -10.2993 -10.2893 -10.2893 -4.5726 -4.5726 -1.0583 -1.0583 0.2888 0.2888 0.8528 0.8528 0.9198 0.9198 1.6418 1.6418 1.6936 1.6936 3.3967 3.3967 4.2042 4.2042 4.2112 4.2112 4.3708 4.3708 4.5310 4.5310 4.7188 4.7188 4.7952 4.7952 5.7289 5.7289 5.7603 5.7603 6.0055 6.0055 6.0218 6.0218 9.9457 9.9457 10.3752 10.3752 13.1720 13.1720 13.5883 13.5883 13.6757 13.6757 14.8683 14.8683 k = 0.0526 0.0304 0.4753 ( 3720 PWs) bands (ev): -30.5799 -30.5799 -14.2285 -14.2285 -12.2777 -12.2777 -12.0779 -12.0779 -11.4813 -11.4813 -11.4537 -11.4537 -10.6359 -10.6359 -10.5632 -10.5632 -10.2878 -10.2878 -10.2711 -10.2711 -4.5579 -4.5579 -1.0670 -1.0670 0.2806 0.2806 0.8504 0.8504 0.9222 0.9222 1.6478 1.6478 1.7145 1.7145 3.4039 3.4039 4.2016 4.2016 4.2131 4.2131 4.3814 4.3814 4.4947 4.4947 4.7178 4.7178 4.8309 4.8309 5.7078 5.7078 5.7481 5.7481 6.0026 6.0026 6.0216 6.0216 9.9466 9.9466 10.3744 10.3744 13.1906 13.1906 13.5929 13.5929 13.6788 13.6788 14.8670 14.8670 k = 0.0658 0.0380 0.4753 ( 3728 PWs) bands (ev): -30.5799 -30.5799 -14.2204 -14.2204 -12.2807 -12.2807 -12.0818 -12.0818 -11.4883 -11.4883 -11.4434 -11.4434 -10.6587 -10.6587 -10.5869 -10.5869 -10.2749 -10.2749 -10.2511 -10.2511 -4.5392 -4.5392 -1.0782 -1.0782 0.2707 0.2707 0.8461 0.8461 0.9268 0.9268 1.6531 1.6531 1.7429 1.7429 3.4126 3.4126 4.1967 4.1967 4.2158 4.2158 4.3948 4.3948 4.4590 4.4590 4.7166 4.7166 4.8673 4.8673 5.6802 5.6802 5.7342 5.7342 5.9981 5.9981 6.0213 6.0213 9.9477 9.9477 10.3733 10.3733 13.2137 13.2137 13.5992 13.5992 13.6830 13.6830 14.8651 14.8651 k = 0.0789 0.0456 0.4753 ( 3720 PWs) bands (ev): -30.5799 -30.5799 -14.2107 -14.2107 -12.2842 -12.2842 -12.0864 -12.0864 -11.4974 -11.4974 -11.4306 -11.4306 -10.6843 -10.6843 -10.6122 -10.6122 -10.2614 -10.2614 -10.2301 -10.2301 -4.5166 -4.5166 -1.0917 -1.0917 0.2595 0.2595 0.8396 0.8396 0.9342 0.9342 1.6583 1.6583 1.7777 1.7777 3.4227 3.4227 4.1884 4.1884 4.2192 4.2192 4.4101 4.4101 4.4263 4.4263 4.7153 4.7153 4.9039 4.9039 5.6470 5.6470 5.7185 5.7185 5.9922 5.9922 6.0205 6.0205 9.9489 9.9489 10.3719 10.3719 13.2408 13.2408 13.6071 13.6071 13.6885 13.6885 14.8628 14.8628 k = 0.0921 0.0532 0.4753 ( 3728 PWs) bands (ev): -30.5799 -30.5799 -14.1991 -14.1991 -12.2883 -12.2883 -12.0917 -12.0917 -11.5084 -11.5084 -11.4157 -11.4157 -10.7122 -10.7122 -10.6383 -10.6383 -10.2477 -10.2477 -10.2086 -10.2086 -4.4902 -4.4902 -1.1075 -1.1075 0.2474 0.2474 0.8311 0.8311 0.9442 0.9442 1.6637 1.6637 1.8181 1.8181 3.4338 3.4338 4.1750 4.1750 4.2230 4.2230 4.3958 4.3958 4.4301 4.4301 4.7141 4.7141 4.9404 4.9404 5.6089 5.6089 5.7010 5.7010 5.9850 5.9850 6.0190 6.0190 9.9499 9.9499 10.3702 10.3702 13.2712 13.2712 13.6170 13.6170 13.6956 13.6956 14.8597 14.8597 k = 0.1053 0.0608 0.4753 ( 3728 PWs) bands (ev): -30.5798 -30.5798 -14.1858 -14.1858 -12.2929 -12.2929 -12.0975 -12.0975 -11.5214 -11.5214 -11.3989 -11.3989 -10.7417 -10.7417 -10.6650 -10.6650 -10.2343 -10.2343 -10.1869 -10.1869 -4.4603 -4.4603 -1.1256 -1.1256 0.2348 0.2348 0.8210 0.8210 0.9568 0.9568 1.6694 1.6694 1.8632 1.8632 3.4453 3.4453 4.1552 4.1552 4.2272 4.2272 4.3731 4.3731 4.4506 4.4506 4.7131 4.7131 4.9767 4.9767 5.5664 5.5664 5.6820 5.6820 5.9768 5.9768 6.0166 6.0166 9.9508 9.9508 10.3680 10.3680 13.3039 13.3039 13.6290 13.6290 13.7046 13.7046 14.8558 14.8558 k = 0.1184 0.0684 0.4753 ( 3728 PWs) bands (ev): -30.5798 -30.5798 -14.1708 -14.1708 -12.2979 -12.2979 -12.1038 -12.1038 -11.5363 -11.5363 -11.3804 -11.3804 -10.7725 -10.7725 -10.6918 -10.6918 -10.2215 -10.2215 -10.1652 -10.1652 -4.4269 -4.4269 -1.1459 -1.1459 0.2220 0.2220 0.8098 0.8098 0.9719 0.9719 1.6756 1.6756 1.9122 1.9122 3.4568 3.4568 4.1285 4.1285 4.2317 4.2317 4.3572 4.3572 4.4731 4.4731 4.7125 4.7125 5.0130 5.0130 5.5199 5.5199 5.6615 5.6615 5.9676 5.9676 6.0130 6.0130 9.9514 9.9514 10.3654 10.3654 13.3379 13.3379 13.6432 13.6432 13.7161 13.7161 14.8509 14.8509 k = 0.1316 0.0760 0.4753 ( 3722 PWs) bands (ev): -30.5798 -30.5798 -14.1540 -14.1540 -12.3033 -12.3033 -12.1105 -12.1105 -11.5531 -11.5531 -11.3604 -11.3604 -10.8040 -10.8040 -10.7188 -10.7188 -10.2095 -10.2095 -10.1436 -10.1436 -4.3904 -4.3904 -1.1683 -1.1683 0.2093 0.2093 0.7979 0.7979 0.9892 0.9892 1.6824 1.6824 1.9645 1.9645 3.4674 3.4674 4.0959 4.0959 4.2364 4.2364 4.3477 4.3477 4.4972 4.4972 4.7126 4.7126 5.0490 5.0490 5.4700 5.4700 5.6400 5.6400 5.9575 5.9575 6.0084 6.0084 9.9516 9.9516 10.3624 10.3624 13.3721 13.3721 13.6595 13.6595 13.7310 13.7310 14.8447 14.8447 k = 0.1447 0.0836 0.4753 ( 3726 PWs) bands (ev): -30.5798 -30.5798 -14.1356 -14.1356 -12.3091 -12.3091 -12.1177 -12.1177 -11.5720 -11.5720 -11.3391 -11.3391 -10.8359 -10.8359 -10.7455 -10.7455 -10.1986 -10.1986 -10.1221 -10.1221 -4.3509 -4.3509 -1.1928 -1.1928 0.1971 0.1971 0.7856 0.7856 1.0086 1.0086 1.6899 1.6899 2.0195 2.0195 3.4765 3.4765 4.0594 4.0594 4.2410 4.2410 4.3432 4.3432 4.5223 4.5223 4.7138 4.7138 5.0849 5.0849 5.4170 5.4170 5.6176 5.6176 5.9466 5.9466 6.0026 6.0026 9.9513 9.9513 10.3588 10.3588 13.4053 13.4053 13.6773 13.6773 13.7500 13.7500 14.8371 14.8371 k = 0.1579 0.0912 0.4753 ( 3730 PWs) bands (ev): -30.5797 -30.5797 -14.1154 -14.1154 -12.3152 -12.3152 -12.1252 -12.1252 -11.5930 -11.5930 -11.3168 -11.3168 -10.8678 -10.8678 -10.7720 -10.7720 -10.1888 -10.1888 -10.1009 -10.1009 -4.3087 -4.3087 -1.2192 -1.2192 0.1854 0.1854 0.7736 0.7736 1.0300 1.0300 1.6979 1.6979 2.0764 2.0764 3.4828 3.4828 4.0215 4.0215 4.2454 4.2454 4.3424 4.3424 4.5476 4.5476 4.7167 4.7167 5.1207 5.1207 5.3615 5.3615 5.5947 5.5947 5.9349 5.9349 5.9957 5.9957 9.9504 9.9504 10.3545 10.3545 13.4367 13.4367 13.6961 13.6961 13.7741 13.7741 14.8279 14.8279 k = 0.1711 0.0988 0.4753 ( 3730 PWs) bands (ev): -30.5797 -30.5797 -14.0935 -14.0935 -12.3215 -12.3215 -12.1331 -12.1331 -11.6161 -11.6161 -11.2935 -11.2935 -10.8993 -10.8993 -10.7980 -10.7980 -10.1803 -10.1803 -10.0799 -10.0799 -4.2639 -4.2639 -1.2474 -1.2474 0.1744 0.1744 0.7621 0.7621 1.0534 1.0534 1.7066 1.7066 2.1345 2.1345 3.4851 3.4851 3.9843 3.9843 4.2494 4.2494 4.3442 4.3442 4.5720 4.5720 4.7220 4.7220 5.1562 5.1562 5.3039 5.3039 5.5715 5.5715 5.9226 5.9226 5.9878 5.9878 9.9490 9.9490 10.3497 10.3497 13.4657 13.4657 13.7155 13.7155 13.8034 13.8034 14.8175 14.8175 k = 0.1842 0.1064 0.4753 ( 3730 PWs) bands (ev): -30.5797 -30.5797 -14.0700 -14.0700 -12.3281 -12.3281 -12.1415 -12.1415 -11.6412 -11.6412 -11.2695 -11.2695 -10.9301 -10.9301 -10.8233 -10.8233 -10.1731 -10.1731 -10.0592 -10.0592 -4.2169 -4.2169 -1.2774 -1.2774 0.1641 0.1641 0.7516 0.7516 1.0786 1.0786 1.7160 1.7160 2.1932 2.1932 3.4820 3.4820 3.9503 3.9503 4.2528 4.2528 4.3479 4.3479 4.5943 4.5943 4.7308 4.7308 5.1916 5.1916 5.2450 5.2450 5.5483 5.5483 5.9097 5.9097 5.9789 5.9789 9.9470 9.9470 10.3441 10.3441 13.4920 13.4920 13.7355 13.7355 13.8369 13.8369 14.8063 14.8063 k = 0.1974 0.1140 0.4753 ( 3730 PWs) bands (ev): -30.5796 -30.5796 -14.0448 -14.0448 -12.3349 -12.3349 -12.1502 -12.1502 -11.6684 -11.6684 -11.2452 -11.2452 -10.9599 -10.9599 -10.8476 -10.8476 -10.1674 -10.1674 -10.0389 -10.0389 -4.1678 -4.1678 -1.3090 -1.3090 0.1546 0.1546 0.7426 0.7426 1.1056 1.1056 1.7259 1.7259 2.2515 2.2515 3.4724 3.4724 3.9213 3.9213 4.2555 4.2555 4.3530 4.3530 4.6129 4.6129 4.7442 4.7442 5.1852 5.1852 5.2268 5.2268 5.5252 5.5252 5.8963 5.8963 5.9690 5.9690 9.9443 9.9443 10.3377 10.3377 13.5160 13.5160 13.7564 13.7564 13.8731 13.8731 14.7951 14.7951 k = 0.2105 0.1215 0.4753 ( 3734 PWs) bands (ev): -30.5796 -30.5796 -14.0180 -14.0180 -12.3420 -12.3420 -12.1595 -12.1595 -11.6975 -11.6975 -11.2209 -11.2209 -10.9884 -10.9884 -10.8707 -10.8707 -10.1631 -10.1631 -10.0190 -10.0190 -4.1170 -4.1170 -1.3422 -1.3422 0.1457 0.1457 0.7354 0.7354 1.1342 1.1342 1.7364 1.7364 2.3083 2.3083 3.4556 3.4556 3.8988 3.8988 4.2571 4.2571 4.3590 4.3590 4.6266 4.6266 4.7623 4.7623 5.1262 5.1262 5.2615 5.2615 5.5024 5.5024 5.8826 5.8826 5.9582 5.9582 9.9411 9.9411 10.3306 10.3306 13.5379 13.5379 13.7785 13.7785 13.9098 13.9098 14.7847 14.7847 k = 0.2237 0.1291 0.4753 ( 3740 PWs) bands (ev): -30.5796 -30.5796 -13.9896 -13.9896 -12.3493 -12.3493 -12.1694 -12.1694 -11.7282 -11.7282 -11.1971 -11.1971 -11.0155 -11.0155 -10.8919 -10.8919 -10.1604 -10.1604 -9.9996 -9.9996 -4.0646 -4.0646 -1.3768 -1.3768 0.1375 0.1375 0.7305 0.7305 1.1645 1.1645 1.7474 1.7474 2.3626 2.3626 3.4322 3.4322 3.8833 3.8833 4.2574 4.2574 4.3659 4.3659 4.6355 4.6355 4.7837 4.7837 5.0695 5.0695 5.2955 5.2955 5.4803 5.4803 5.8686 5.8686 5.9466 5.9466 9.9374 9.9374 10.3226 10.3226 13.5583 13.5583 13.8021 13.8021 13.9449 13.9449 14.7761 14.7761 k = 0.2368 0.1367 0.4753 ( 3740 PWs) bands (ev): -30.5795 -30.5795 -13.9597 -13.9597 -12.3570 -12.3570 -12.1799 -12.1799 -11.7604 -11.7604 -11.1746 -11.1746 -11.0411 -11.0411 -10.9107 -10.9107 -10.1593 -10.1593 -9.9806 -9.9806 -4.0110 -4.0110 -1.4126 -1.4126 0.1297 0.1297 0.7283 0.7283 1.1961 1.1961 1.7590 1.7590 2.4127 2.4127 3.4039 3.4039 3.8744 3.8744 4.2563 4.2563 4.3735 4.3735 4.6396 4.6396 4.8050 4.8050 5.0187 5.0187 5.3282 5.3282 5.4592 5.4592 5.8547 5.8547 5.9341 5.9341 9.9334 9.9334 10.3137 10.3137 13.5775 13.5775 13.8274 13.8274 13.9764 13.9764 14.7697 14.7697 k = 0.2500 0.1443 0.4753 ( 3738 PWs) bands (ev): -30.5795 -30.5795 -13.9282 -13.9282 -12.3652 -12.3652 -12.1912 -12.1912 -11.7935 -11.7935 -11.1545 -11.1545 -11.0649 -11.0649 -10.9258 -10.9258 -10.1597 -10.1597 -9.9622 -9.9622 -3.9563 -3.9563 -1.4496 -1.4496 0.1222 0.1222 0.7292 0.7292 1.2291 1.2291 1.7709 1.7709 2.4565 2.4565 3.3739 3.3739 3.8708 3.8708 4.2535 4.2535 4.3817 4.3817 4.6386 4.6386 4.8197 4.8197 4.9811 4.9811 5.3578 5.3578 5.4409 5.4409 5.8409 5.8409 5.9210 5.9210 9.9290 9.9290 10.3040 10.3040 13.5960 13.5960 13.8543 13.8543 14.0027 14.0027 14.7655 14.7655 k = 0.2632 0.1519 0.4753 ( 3742 PWs) bands (ev): -30.5794 -30.5794 -13.8953 -13.8953 -12.3740 -12.3740 -12.2033 -12.2033 -11.8272 -11.8272 -11.1384 -11.1384 -11.0869 -11.0869 -10.9356 -10.9356 -10.1617 -10.1617 -9.9443 -9.9443 -3.9009 -3.9009 -1.4876 -1.4876 0.1150 0.1150 0.7335 0.7335 1.2633 1.2633 1.7833 1.7833 2.4916 2.4916 3.3457 3.3457 3.8712 3.8712 4.2486 4.2486 4.3904 4.3904 4.6310 4.6310 4.8189 4.8189 4.9676 4.9676 5.3767 5.3767 5.4325 5.4325 5.8276 5.8276 5.9072 5.9072 9.9244 9.9244 10.2934 10.2934 13.6139 13.6139 13.8828 13.8828 14.0228 14.0228 14.7632 14.7632 k = 0.2763 0.1595 0.4753 ( 3742 PWs) bands (ev): -30.5794 -30.5794 -13.8608 -13.8608 -12.3837 -12.3837 -12.2165 -12.2165 -11.8607 -11.8607 -11.1284 -11.1284 -11.1071 -11.1071 -10.9385 -10.9385 -10.1653 -10.1653 -9.9271 -9.9271 -3.8449 -3.8449 -1.5265 -1.5265 0.1078 0.1078 0.7415 0.7415 1.2986 1.2986 1.7959 1.7959 2.5151 2.5151 3.3233 3.3233 3.8742 3.8742 4.2412 4.2412 4.3997 4.3997 4.6144 4.6144 4.8044 4.8044 4.9790 4.9790 5.3724 5.3724 5.4462 5.4462 5.8152 5.8152 5.8927 5.8927 9.9199 9.9199 10.2820 10.2820 13.6316 13.6316 13.9125 13.9125 14.0366 14.0366 14.7617 14.7617 k = 0.2895 0.1671 0.4753 ( 3742 PWs) bands (ev): -30.5794 -30.5794 -13.8250 -13.8250 -12.3948 -12.3948 -12.2306 -12.2306 -11.8934 -11.8934 -11.1287 -11.1287 -11.1222 -11.1222 -10.9331 -10.9331 -10.1704 -10.1704 -9.9106 -9.9106 -3.7887 -3.7887 -1.5660 -1.5660 0.1005 0.1005 0.7535 0.7535 1.3346 1.3346 1.8088 1.8088 2.5245 2.5245 3.3103 3.3103 3.8789 3.8789 4.2308 4.2308 4.4095 4.4095 4.5874 4.5874 4.7896 4.7896 5.0043 5.0043 5.3551 5.3551 5.4711 5.4711 5.8040 5.8040 5.8777 5.8777 9.9154 9.9154 10.2697 10.2697 13.6490 13.6490 13.9427 13.9427 14.0446 14.0446 14.7598 14.7598 k = 0.3026 0.1747 0.4753 ( 3750 PWs) bands (ev): -30.5793 -30.5793 -13.7878 -13.7878 -12.4078 -12.4078 -12.2456 -12.2456 -11.9246 -11.9246 -11.1440 -11.1440 -11.1272 -11.1272 -10.9201 -10.9201 -10.1771 -10.1771 -9.8948 -9.8948 -3.7325 -3.7325 -1.6061 -1.6061 0.0932 0.0932 0.7696 0.7696 1.3713 1.3713 1.8219 1.8219 2.5179 2.5179 3.3089 3.3089 3.8845 3.8845 4.2166 4.2166 4.4198 4.4198 4.5524 4.5524 4.7809 4.7809 5.0353 5.0353 5.3343 5.3343 5.4972 5.4972 5.7947 5.7947 5.8623 5.8623 9.9112 9.9112 10.2566 10.2566 13.6664 13.6664 13.9719 13.9719 14.0495 14.0495 14.7562 14.7562 k = 0.3158 0.1823 0.4753 ( 3754 PWs) bands (ev): -30.5793 -30.5793 -13.7494 -13.7494 -12.4235 -12.4235 -12.2610 -12.2610 -11.9537 -11.9537 -11.1594 -11.1594 -11.1354 -11.1354 -10.9012 -10.9012 -10.1853 -10.1853 -9.8798 -9.8798 -3.6765 -3.6765 -1.6466 -1.6466 0.0858 0.0858 0.7900 0.7900 1.4085 1.4085 1.8349 1.8349 2.4955 2.4955 3.3197 3.3197 3.8903 3.8903 4.1978 4.1978 4.4306 4.4306 4.5140 4.5140 4.7782 4.7782 5.0687 5.0687 5.3120 5.3120 5.5215 5.5215 5.7878 5.7878 5.8464 5.8464 9.9074 9.9074 10.2427 10.2427 13.6836 13.6836 13.9947 13.9947 14.0572 14.0572 14.7496 14.7496 k = 0.3289 0.1899 0.4753 ( 3754 PWs) bands (ev): -30.5793 -30.5793 -13.7097 -13.7097 -12.4427 -12.4427 -12.2763 -12.2763 -11.9800 -11.9800 -11.1734 -11.1734 -11.1462 -11.1462 -10.8782 -10.8782 -10.1949 -10.1949 -9.8655 -9.8655 -3.6212 -3.6212 -1.6872 -1.6872 0.0783 0.0783 0.8146 0.8146 1.4457 1.4457 1.8480 1.8480 2.4589 2.4589 3.3413 3.3413 3.8962 3.8962 4.1736 4.1736 4.4420 4.4420 4.4767 4.4767 4.7795 4.7795 5.1030 5.1030 5.2888 5.2888 5.5428 5.5428 5.7841 5.7841 5.8301 5.8301 9.9042 9.9042 10.2283 10.2283 13.7006 13.7006 14.0034 14.0034 14.0769 14.0769 14.7383 14.7383 k = 0.3421 0.1975 0.4753 ( 3756 PWs) bands (ev): -30.5792 -30.5792 -13.6689 -13.6689 -12.4661 -12.4661 -12.2907 -12.2907 -12.0034 -12.0034 -11.1862 -11.1862 -11.1585 -11.1585 -10.8528 -10.8528 -10.2060 -10.2060 -9.8522 -9.8522 -3.5668 -3.5668 -1.7277 -1.7277 0.0708 0.0708 0.8434 0.8434 1.4827 1.4827 1.8609 1.8609 2.4107 2.4107 3.3712 3.3712 3.9017 3.9017 4.1436 4.1436 4.4423 4.4423 4.4549 4.4549 4.7834 4.7834 5.1373 5.1373 5.2649 5.2649 5.5600 5.5600 5.7841 5.7841 5.8137 5.8137 9.9016 9.9016 10.2132 10.2132 13.7171 13.7171 14.0001 14.0001 14.1074 14.1074 14.7206 14.7206 k = 0.3553 0.2051 0.4753 ( 3752 PWs) bands (ev): -30.5792 -30.5792 -13.6271 -13.6271 -12.4942 -12.4942 -12.3035 -12.3035 -12.0236 -12.0236 -11.1977 -11.1977 -11.1711 -11.1711 -10.8259 -10.8259 -10.2183 -10.2183 -9.8397 -9.8397 -3.5136 -3.5136 -1.7678 -1.7678 0.0633 0.0633 0.8764 0.8764 1.5192 1.5192 1.8736 1.8736 2.3537 2.3537 3.4068 3.4068 3.9067 3.9067 4.1082 4.1082 4.4147 4.4147 4.4670 4.4670 4.7887 4.7887 5.1711 5.1711 5.2402 5.2402 5.5727 5.5727 5.7880 5.7880 5.7972 5.7972 9.8999 9.8999 10.1978 10.1978 13.7329 13.7329 13.9921 13.9921 14.1426 14.1426 14.6956 14.6956 k = 0.3684 0.2127 0.4753 ( 3752 PWs) bands (ev): -30.5792 -30.5792 -13.5844 -13.5844 -12.5270 -12.5270 -12.3145 -12.3145 -12.0408 -12.0408 -11.2080 -11.2080 -11.1835 -11.1835 -10.7982 -10.7982 -10.2318 -10.2318 -9.8282 -9.8282 -3.4620 -3.4620 -1.8073 -1.8073 0.0560 0.0560 0.9132 0.9132 1.5547 1.5547 1.8858 1.8858 2.2904 2.2904 3.4457 3.4457 3.9111 3.9111 4.0686 4.0686 4.3921 4.3921 4.4800 4.4800 4.7948 4.7948 5.2034 5.2034 5.2157 5.2157 5.5809 5.5809 5.7797 5.7797 5.7968 5.7968 9.8990 9.8990 10.1820 10.1820 13.7472 13.7472 13.9835 13.9835 14.1799 14.1799 14.6638 14.6638 k = 0.3816 0.2203 0.4753 ( 3756 PWs) bands (ev): -30.5792 -30.5792 -13.5410 -13.5410 -12.5637 -12.5637 -12.3237 -12.3237 -12.0553 -12.0553 -11.2173 -11.2173 -11.1953 -11.1953 -10.7703 -10.7703 -10.2464 -10.2464 -9.8176 -9.8176 -3.4125 -3.4125 -1.8457 -1.8457 0.0490 0.0490 0.9538 0.9538 1.5888 1.5888 1.8976 1.8976 2.2228 2.2228 3.4859 3.4859 3.9148 3.9148 4.0267 4.0267 4.3741 4.3741 4.4936 4.4936 4.8012 4.8012 5.1890 5.1890 5.2364 5.2364 5.5853 5.5853 5.7629 5.7629 5.8078 5.8078 9.8991 9.8991 10.1661 10.1661 13.7595 13.7595 13.9764 13.9764 14.2178 14.2178 14.6272 14.6272 k = 0.3947 0.2279 0.4753 ( 3758 PWs) bands (ev): -30.5791 -30.5791 -13.4971 -13.4971 -12.6037 -12.6037 -12.3311 -12.3311 -12.0674 -12.0674 -11.2256 -11.2256 -11.2061 -11.2061 -10.7424 -10.7424 -10.2620 -10.2620 -9.8081 -9.8081 -3.3655 -3.3655 -1.8826 -1.8826 0.0424 0.0424 0.9978 0.9978 1.6210 1.6210 1.9084 1.9084 2.1528 2.1528 3.5256 3.5256 3.9178 3.9178 3.9844 3.9844 4.3599 4.3599 4.5075 4.5075 4.8075 4.8075 5.1634 5.1634 5.2668 5.2668 5.5869 5.5869 5.7461 5.7461 5.8207 5.8207 9.9001 9.9001 10.1503 10.1503 13.7688 13.7688 13.9727 13.9727 14.2557 14.2557 14.5882 14.5882 k = 0.4079 0.2355 0.4753 ( 3758 PWs) bands (ev): -30.5791 -30.5791 -13.4530 -13.4530 -12.6458 -12.6458 -12.3371 -12.3371 -12.0774 -12.0774 -11.2330 -11.2330 -11.2157 -11.2157 -10.7151 -10.7151 -10.2782 -10.2782 -9.7996 -9.7996 -3.3215 -3.3215 -1.9175 -1.9175 0.0363 0.0363 1.0448 1.0448 1.6509 1.6509 1.9178 1.9178 2.0824 2.0824 3.5637 3.5637 3.9194 3.9194 3.9440 3.9440 4.3487 4.3487 4.5216 4.5216 4.8136 4.8136 5.1380 5.1380 5.2957 5.2957 5.5867 5.5867 5.7295 5.7295 5.8345 5.8345 9.9021 9.9021 10.1348 10.1348 13.7747 13.7747 13.9734 13.9734 14.2928 14.2928 14.5487 14.5487 k = 0.4211 0.2431 0.4753 ( 3762 PWs) bands (ev): -30.5791 -30.5791 -13.4091 -13.4091 -12.6891 -12.6891 -12.3419 -12.3419 -12.0855 -12.0855 -11.2397 -11.2397 -11.2240 -11.2240 -10.6886 -10.6886 -10.2949 -10.2949 -9.7922 -9.7922 -3.2812 -3.2812 -1.9499 -1.9499 0.0308 0.0308 1.0943 1.0943 1.6778 1.6778 1.9231 1.9231 2.0151 2.0151 3.5989 3.5989 3.9022 3.9022 3.9245 3.9245 4.3398 4.3398 4.5356 4.5356 4.8193 4.8193 5.1133 5.1133 5.3226 5.3226 5.5854 5.5854 5.7134 5.7134 5.8479 5.8479 9.9048 9.9048 10.1198 10.1198 13.7770 13.7770 13.9788 13.9788 14.3278 14.3278 14.5107 14.5107 k = 0.4342 0.2507 0.4753 ( 3758 PWs) bands (ev): -30.5791 -30.5791 -13.3662 -13.3662 -12.7323 -12.7323 -12.3457 -12.3457 -12.0920 -12.0920 -11.2456 -11.2456 -11.2308 -11.2308 -10.6636 -10.6636 -10.3115 -10.3115 -9.7859 -9.7859 -3.2453 -3.2453 -1.9791 -1.9791 0.0260 0.0260 1.1457 1.1457 1.7014 1.7014 1.9083 1.9083 1.9679 1.9679 3.6304 3.6304 3.8684 3.8684 3.9248 3.9248 4.3328 4.3328 4.5492 4.5492 4.8243 4.8243 5.0901 5.0901 5.3472 5.3472 5.5836 5.5836 5.6980 5.6980 5.8604 5.8604 9.9082 9.9082 10.1059 10.1059 13.7765 13.7765 13.9884 13.9884 14.3587 14.3587 14.4771 14.4771 k = 0.4474 0.2583 0.4753 ( 3762 PWs) bands (ev): -30.5791 -30.5791 -13.3251 -13.3251 -12.7741 -12.7741 -12.3487 -12.3487 -12.0971 -12.0971 -11.2507 -11.2507 -11.2362 -11.2362 -10.6406 -10.6406 -10.3276 -10.3276 -9.7807 -9.7807 -3.2145 -3.2145 -2.0044 -2.0044 0.0219 0.0219 1.1978 1.1978 1.7212 1.7212 1.8551 1.8551 1.9605 1.9605 3.6572 3.6572 3.8387 3.8387 3.9255 3.9255 4.3274 4.3274 4.5618 4.5618 4.8286 4.8286 5.0691 5.0691 5.3690 5.3690 5.5817 5.5817 5.6838 5.6838 5.8712 5.8712 9.9120 9.9120 10.0932 10.0932 13.7741 13.7741 14.0007 14.0007 14.3791 14.3791 14.4543 14.4543 k = 0.4605 0.2659 0.4753 ( 3758 PWs) bands (ev): -30.5791 -30.5791 -13.2876 -13.2876 -12.8125 -12.8125 -12.3508 -12.3508 -12.1009 -12.1009 -11.2549 -11.2549 -11.2402 -11.2402 -10.6205 -10.6205 -10.3423 -10.3423 -9.7766 -9.7766 -3.1894 -3.1894 -2.0251 -2.0251 0.0187 0.0187 1.2486 1.2486 1.7367 1.7367 1.7948 1.7948 1.9638 1.9638 3.6787 3.6787 3.8148 3.8148 3.9260 3.9260 4.3233 4.3233 4.5729 4.5729 4.8320 4.8320 5.0512 5.0512 5.3874 5.3874 5.5800 5.5800 5.6714 5.6714 5.8800 5.8800 9.9157 9.9157 10.0825 10.0825 13.7712 13.7712 14.0138 14.0138 14.3780 14.3780 14.4534 14.4534 k = 0.4737 0.2735 0.4753 ( 3756 PWs) bands (ev): -30.5790 -30.5790 -13.2561 -13.2561 -12.8448 -12.8448 -12.3523 -12.3523 -12.1035 -12.1035 -11.2580 -11.2580 -11.2429 -11.2429 -10.6045 -10.6045 -10.3544 -10.3544 -9.7737 -9.7737 -3.1709 -3.1709 -2.0405 -2.0405 0.0164 0.0164 1.2945 1.2945 1.7379 1.7379 1.7508 1.7508 1.9677 1.9677 3.6944 3.6944 3.7973 3.7973 3.9262 3.9262 4.3205 4.3205 4.5815 4.5815 4.8346 4.8346 5.0374 5.0374 5.4015 5.4015 5.5787 5.5787 5.6616 5.6616 5.8865 5.8865 9.9190 9.9190 10.0741 10.0741 13.7684 13.7684 14.0257 14.0257 14.3637 14.3637 14.4663 14.4663 k = 0.4868 0.2811 0.4753 ( 3756 PWs) bands (ev): -30.5790 -30.5790 -13.2344 -13.2344 -12.8670 -12.8670 -12.3532 -12.3532 -12.1051 -12.1051 -11.2599 -11.2599 -11.2446 -11.2446 -10.5940 -10.5940 -10.3626 -10.3626 -9.7719 -9.7719 -3.1596 -3.1596 -2.0500 -2.0500 0.0150 0.0150 1.3290 1.3290 1.6999 1.6999 1.7559 1.7559 1.9704 1.9704 3.7038 3.7038 3.7867 3.7867 3.9263 3.9263 4.3188 4.3188 4.5871 4.5871 4.8361 4.8361 5.0287 5.0287 5.4105 5.4105 5.5779 5.5779 5.6551 5.6551 5.8905 5.8905 9.9212 9.9212 10.0688 10.0688 13.7665 13.7665 14.0341 14.0341 14.3515 14.3515 14.4776 14.4776 k = 0.5000 0.2887 0.4753 ( 3756 PWs) bands (ev): -30.5790 -30.5790 -13.2265 -13.2265 -12.8751 -12.8751 -12.3535 -12.3535 -12.1056 -12.1056 -11.2605 -11.2605 -11.2451 -11.2451 -10.5903 -10.5903 -10.3655 -10.3655 -9.7714 -9.7714 -3.1557 -3.1557 -2.0532 -2.0532 0.0145 0.0145 1.3424 1.3424 1.6848 1.6848 1.7581 1.7581 1.9713 1.9713 3.7069 3.7069 3.7832 3.7832 3.9263 3.9263 4.3183 4.3183 4.5890 4.5890 4.8366 4.8366 5.0257 5.0257 5.4136 5.4136 5.5776 5.5776 5.6529 5.6529 5.8918 5.8918 9.9221 9.9221 10.0669 10.0669 13.7658 13.7658 14.0371 14.0371 14.3469 14.3469 14.4819 14.4819 k = 0.5000 0.2887 0.4753 ( 3756 PWs) bands (ev): -30.5790 -30.5790 -13.2265 -13.2265 -12.8751 -12.8751 -12.3535 -12.3535 -12.1056 -12.1056 -11.2605 -11.2605 -11.2451 -11.2451 -10.5903 -10.5903 -10.3655 -10.3655 -9.7714 -9.7714 -3.1557 -3.1557 -2.0532 -2.0532 0.0145 0.0145 1.3424 1.3424 1.6848 1.6848 1.7581 1.7581 1.9713 1.9713 3.7069 3.7069 3.7832 3.7832 3.9263 3.9263 4.3183 4.3183 4.5890 4.5890 4.8366 4.8366 5.0257 5.0257 5.4136 5.4136 5.5776 5.5776 5.6529 5.6529 5.8918 5.8918 9.9221 9.9221 10.0669 10.0669 13.7658 13.7658 14.0371 14.0371 14.3469 14.3469 14.4819 14.4819 k = 0.4924 0.3018 0.4753 ( 3758 PWs) bands (ev): -30.5790 -30.5790 -13.2256 -13.2256 -12.8747 -12.8747 -12.3533 -12.3533 -12.1062 -12.1062 -11.2995 -11.2995 -11.2078 -11.2078 -10.5893 -10.5893 -10.3654 -10.3654 -9.7720 -9.7720 -3.1544 -3.1544 -2.0544 -2.0544 0.0161 0.0161 1.3382 1.3382 1.6752 1.6752 1.7677 1.7677 1.9757 1.9757 3.7021 3.7021 3.7759 3.7759 3.9336 3.9336 4.3213 4.3213 4.5895 4.5895 4.8352 4.8352 5.0268 5.0268 5.4132 5.4132 5.5778 5.5778 5.6540 5.6540 5.8921 5.8921 9.9219 9.9219 10.0667 10.0667 13.7665 13.7665 14.0365 14.0365 14.3199 14.3199 14.5064 14.5064 k = 0.4848 0.3149 0.4753 ( 3750 PWs) bands (ev): -30.5790 -30.5790 -13.2231 -13.2231 -12.8733 -12.8733 -12.3528 -12.3528 -12.1077 -12.1077 -11.3467 -11.3467 -11.1656 -11.1656 -10.5863 -10.5863 -10.3649 -10.3649 -9.7739 -9.7739 -3.1503 -3.1503 -2.0579 -2.0579 0.0209 0.0209 1.3260 1.3260 1.6540 1.6540 1.7890 1.7890 1.9886 1.9886 3.6881 3.6881 3.7571 3.7571 3.9521 3.9521 4.3302 4.3302 4.5909 4.5909 4.8311 4.8311 5.0299 5.0299 5.4119 5.4119 5.5781 5.5781 5.6573 5.6573 5.8930 5.8930 9.9215 9.9215 10.0659 10.0659 13.7685 13.7685 14.0347 14.0347 14.2655 14.2655 14.5530 14.5530 k = 0.4773 0.3280 0.4753 ( 3754 PWs) bands (ev): -30.5790 -30.5790 -13.2190 -13.2190 -12.8711 -12.8711 -12.3519 -12.3519 -12.1102 -12.1102 -11.3953 -11.3953 -11.1255 -11.1255 -10.5812 -10.5812 -10.3642 -10.3642 -9.7771 -9.7771 -3.1435 -3.1435 -2.0638 -2.0638 0.0290 0.0290 1.3068 1.3068 1.6288 1.6288 1.8145 1.8145 2.0089 2.0089 3.6658 3.6658 3.7320 3.7320 3.9768 3.9768 4.3437 4.3437 4.5934 4.5934 4.8246 4.8246 5.0348 5.0348 5.4098 5.4098 5.5787 5.5787 5.6627 5.6627 5.8944 5.8944 9.9209 9.9209 10.0646 10.0646 13.7717 13.7717 14.0317 14.0317 14.2042 14.2042 14.6003 14.6003 k = 0.4697 0.3412 0.4753 ( 3756 PWs) bands (ev): -30.5790 -30.5790 -13.2132 -13.2132 -12.8680 -12.8680 -12.3508 -12.3508 -12.1138 -12.1138 -11.4449 -11.4449 -11.0878 -11.0878 -10.5741 -10.5741 -10.3632 -10.3632 -9.7816 -9.7816 -3.1340 -3.1340 -2.0721 -2.0721 0.0402 0.0402 1.2818 1.2818 1.6018 1.6018 1.8420 1.8420 2.0353 2.0353 3.6364 3.6364 3.7037 3.7037 4.0045 4.0045 4.3606 4.3606 4.5970 4.5970 4.8158 4.8158 5.0413 5.0413 5.4070 5.4070 5.5795 5.5795 5.6701 5.6701 5.8963 5.8963 9.9200 9.9200 10.0627 10.0627 13.7756 13.7756 14.0275 14.0275 14.1420 14.1420 14.6412 14.6412 k = 0.4621 0.3543 0.4753 ( 3764 PWs) bands (ev): -30.5790 -30.5790 -13.2057 -13.2057 -12.8641 -12.8641 -12.3494 -12.3494 -12.1184 -12.1184 -11.4951 -11.4951 -11.0528 -11.0528 -10.5649 -10.5649 -10.3618 -10.3618 -9.7873 -9.7873 -3.1219 -3.1219 -2.0827 -2.0827 0.0546 0.0546 1.2524 1.2524 1.5738 1.5738 1.8706 1.8706 2.0666 2.0666 3.6012 3.6012 3.6738 3.6738 4.0337 4.0337 4.3793 4.3793 4.6021 4.6021 4.8052 4.8052 5.0492 5.0492 5.4034 5.4034 5.5805 5.5805 5.6794 5.6794 5.8986 5.8986 9.9190 9.9190 10.0604 10.0604 13.7796 13.7796 14.0214 14.0214 14.0825 14.0825 14.6720 14.6720 k = 0.4545 0.3674 0.4753 ( 3768 PWs) bands (ev): -30.5790 -30.5790 -13.1966 -13.1966 -12.8593 -12.8593 -12.3479 -12.3479 -12.1239 -12.1239 -11.5458 -11.5458 -11.0206 -11.0206 -10.5536 -10.5536 -10.3602 -10.3602 -9.7942 -9.7942 -3.1071 -3.1071 -2.0955 -2.0955 0.0720 0.0720 1.2197 1.2197 1.5451 1.5451 1.9004 1.9004 2.1014 2.1014 3.5613 3.5613 3.6430 3.6430 4.0637 4.0637 4.3985 4.3985 4.6089 4.6089 4.7930 4.7930 5.0582 5.0582 5.3990 5.3990 5.5817 5.5817 5.6902 5.6902 5.9012 5.9012 9.9178 9.9178 10.0575 10.0575 13.7828 13.7828 14.0045 14.0045 14.0365 14.0365 14.6907 14.6907 k = 0.4470 0.3805 0.4753 ( 3756 PWs) bands (ev): -30.5790 -30.5790 -13.1859 -13.1859 -12.8538 -12.8538 -12.3463 -12.3463 -12.1302 -12.1302 -11.5964 -11.5964 -10.9915 -10.9915 -10.5403 -10.5403 -10.3581 -10.3581 -9.8022 -9.8022 -3.0898 -3.0898 -2.1107 -2.1107 0.0925 0.0925 1.1847 1.1847 1.5157 1.5157 1.9312 1.9312 2.1387 2.1387 3.5177 3.5177 3.6119 3.6119 4.0940 4.0940 4.4168 4.4168 4.6177 4.6177 4.7795 4.7795 5.0682 5.0682 5.3939 5.3939 5.5831 5.5831 5.7025 5.7025 5.9039 5.9039 9.9166 9.9166 10.0541 10.0541 13.7835 13.7835 13.9602 13.9602 14.0235 14.0235 14.6976 14.6976 k = 0.4394 0.3936 0.4753 ( 3760 PWs) bands (ev): -30.5790 -30.5790 -13.1736 -13.1736 -12.8477 -12.8477 -12.3448 -12.3448 -12.1375 -12.1375 -11.6468 -11.6468 -10.9654 -10.9654 -10.5251 -10.5251 -10.3558 -10.3558 -9.8114 -9.8114 -3.0701 -3.0701 -2.1282 -2.1282 0.1160 0.1160 1.1482 1.1482 1.4860 1.4860 1.9630 1.9630 2.1777 2.1777 3.4712 3.4712 3.5807 3.5807 4.1244 4.1244 4.4335 4.4335 4.6287 4.6287 4.7648 4.7648 5.0790 5.0790 5.3882 5.3882 5.5846 5.5846 5.7160 5.7160 5.9066 5.9066 9.9153 9.9153 10.0502 10.0502 13.7786 13.7786 13.9145 13.9145 14.0206 14.0206 14.6952 14.6952 k = 0.4318 0.4068 0.4753 ( 3760 PWs) bands (ev): -30.5790 -30.5790 -13.1598 -13.1598 -12.8409 -12.8409 -12.3437 -12.3437 -12.1454 -12.1454 -11.6965 -11.6965 -10.9425 -10.9425 -10.5082 -10.5082 -10.3530 -10.3530 -9.8216 -9.8216 -3.0479 -3.0479 -2.1478 -2.1478 0.1423 0.1423 1.1106 1.1106 1.4558 1.4558 1.9959 1.9959 2.2177 2.2177 3.4225 3.4225 3.5497 3.5497 4.1545 4.1545 4.4477 4.4477 4.6418 4.6418 4.7491 4.7491 5.0906 5.0906 5.3819 5.3819 5.5862 5.5862 5.7305 5.7305 5.9092 5.9092 9.9142 9.9142 10.0457 10.0457 13.7645 13.7645 13.8778 13.8778 14.0219 14.0219 14.6870 14.6870 k = 0.4242 0.4199 0.4753 ( 3760 PWs) bands (ev): -30.5790 -30.5790 -13.1444 -13.1444 -12.8336 -12.8336 -12.3432 -12.3432 -12.1539 -12.1539 -11.7452 -11.7452 -10.9225 -10.9225 -10.4899 -10.4899 -10.3498 -10.3498 -9.8328 -9.8328 -3.0233 -3.0233 -2.1697 -2.1697 0.1715 0.1715 1.0725 1.0725 1.4254 1.4254 2.0300 2.0300 2.2580 2.2580 3.3721 3.3721 3.5188 3.5188 4.1844 4.1844 4.4595 4.4595 4.6567 4.6567 4.7326 4.7326 5.1029 5.1029 5.3750 5.3750 5.5877 5.5877 5.7457 5.7457 5.9115 5.9115 9.9133 9.9133 10.0407 10.0407 13.7394 13.7394 13.8520 13.8520 14.0277 14.0277 14.6752 14.6752 k = 0.4167 0.4330 0.4753 ( 3760 PWs) bands (ev): -30.5790 -30.5790 -13.1275 -13.1275 -12.8260 -12.8260 -12.3438 -12.3438 -12.1627 -12.1627 -11.7921 -11.7921 -10.9053 -10.9053 -10.4708 -10.4708 -10.3460 -10.3460 -9.8448 -9.8448 -2.9965 -2.9965 -2.1937 -2.1937 0.2032 0.2032 1.0342 1.0342 1.3949 1.3949 2.0651 2.0651 2.2980 2.2980 3.3207 3.3207 3.4885 3.4885 4.2139 4.2139 4.4688 4.4688 4.6728 4.6728 4.7155 4.7155 5.1158 5.1158 5.3676 5.3676 5.5893 5.5893 5.7613 5.7613 5.9134 5.9134 9.9126 9.9126 10.0352 10.0352 13.7074 13.7074 13.8330 13.8330 14.0385 14.0385 14.6612 14.6612 k = 0.4091 0.4461 0.4753 ( 3760 PWs) bands (ev): -30.5790 -30.5790 -13.1091 -13.1091 -12.8182 -12.8182 -12.3461 -12.3461 -12.1715 -12.1715 -11.8370 -11.8370 -10.8906 -10.8906 -10.4514 -10.4514 -10.3415 -10.3415 -9.8575 -9.8575 -2.9676 -2.9676 -2.2198 -2.2198 0.2375 0.2375 0.9959 0.9959 1.3644 1.3644 2.1014 2.1014 2.3373 2.3373 3.2687 3.2687 3.4587 3.4587 4.2430 4.2430 4.4759 4.4759 4.6870 4.6870 4.7004 4.7004 5.1293 5.1293 5.3598 5.3598 5.5907 5.5907 5.7771 5.7771 5.9147 5.9147 9.9122 9.9122 10.0293 10.0293 13.6739 13.6739 13.8159 13.8159 14.0541 14.0541 14.6452 14.6452 k = 0.4015 0.4593 0.4753 ( 3768 PWs) bands (ev): -30.5790 -30.5790 -13.0893 -13.0893 -12.8106 -12.8106 -12.3508 -12.3508 -12.1795 -12.1795 -11.8790 -11.8790 -10.8783 -10.8783 -10.4324 -10.4324 -10.3363 -10.3363 -9.8707 -9.8707 -2.9365 -2.9365 -2.2480 -2.2480 0.2741 0.2741 0.9579 0.9579 1.3343 1.3343 2.1387 2.1387 2.3752 2.3752 3.2167 3.2167 3.4297 3.4297 4.2714 4.2714 4.4814 4.4814 4.6764 4.6764 4.7097 4.7097 5.1433 5.1433 5.3516 5.3516 5.5920 5.5920 5.7929 5.7929 5.9153 5.9153 9.9123 9.9123 10.0228 10.0228 13.6423 13.6423 13.7982 13.7982 14.0743 14.0743 14.6269 14.6269 k = 0.3939 0.4724 0.4753 ( 3772 PWs) bands (ev): -30.5790 -30.5790 -13.0681 -13.0681 -12.8034 -12.8034 -12.3585 -12.3585 -12.1864 -12.1864 -11.9178 -11.9178 -10.8680 -10.8680 -10.4144 -10.4144 -10.3300 -10.3300 -9.8842 -9.8842 -2.9036 -2.9036 -2.2782 -2.2782 0.3127 0.3127 0.9203 0.9203 1.3046 1.3046 2.1769 2.1769 2.4112 2.4112 3.1651 3.1651 3.4018 3.4018 4.2992 4.2992 4.4854 4.4854 4.6577 4.6577 4.7261 4.7261 5.1576 5.1576 5.3430 5.3430 5.5931 5.5931 5.8083 5.8083 5.9153 5.9153 9.9130 9.9130 10.0158 10.0158 13.6141 13.6141 13.7793 13.7793 14.0983 14.0983 14.6057 14.6057 k = 0.3864 0.4855 0.4753 ( 3776 PWs) bands (ev): -30.5790 -30.5790 -13.0457 -13.0457 -12.7971 -12.7971 -12.3697 -12.3697 -12.1913 -12.1913 -11.9526 -11.9526 -10.8595 -10.8595 -10.3982 -10.3982 -10.3225 -10.3225 -9.8978 -9.8978 -2.8688 -2.8688 -2.3103 -2.3103 0.3532 0.3532 0.8833 0.8833 1.2758 1.2758 2.2159 2.2159 2.4445 2.4445 3.1147 3.1147 3.3752 3.3752 4.3263 4.3263 4.4884 4.4884 4.6380 4.6380 4.7422 4.7422 5.1721 5.1721 5.3342 5.3342 5.5941 5.5941 5.8232 5.8232 5.9144 5.9144 9.9144 9.9144 10.0085 10.0085 13.5902 13.5902 13.7594 13.7594 14.1256 14.1256 14.5810 14.5810 k = 0.3788 0.4986 0.4753 ( 3780 PWs) bands (ev): -30.5790 -30.5790 -13.0219 -13.0219 -12.7925 -12.7925 -12.3842 -12.3842 -12.1941 -12.1941 -11.9833 -11.9833 -10.8526 -10.8526 -10.3844 -10.3844 -10.3138 -10.3138 -9.9110 -9.9110 -2.8323 -2.8323 -2.3443 -2.3443 0.3952 0.3952 0.8468 0.8468 1.2482 1.2482 2.2553 2.2553 2.4740 2.4740 3.0664 3.0664 3.3504 3.3504 4.3526 4.3526 4.4906 4.4906 4.6179 4.6179 4.7570 4.7570 5.1867 5.1867 5.3251 5.3251 5.5949 5.5949 5.8372 5.8372 5.9128 5.9128 9.9165 9.9165 10.0007 10.0007 13.5709 13.5709 13.7389 13.7389 14.1557 14.1557 14.5531 14.5531 k = 0.3712 0.5117 0.4753 ( 3776 PWs) bands (ev): -30.5789 -30.5789 -12.9970 -12.9970 -12.7904 -12.7904 -12.4011 -12.4011 -12.1948 -12.1948 -12.0095 -12.0095 -10.8471 -10.8471 -10.3731 -10.3731 -10.3044 -10.3044 -9.9235 -9.9235 -2.7942 -2.7942 -2.3801 -2.3801 0.4381 0.4381 0.8110 0.8110 1.2223 1.2223 2.2949 2.2949 2.4986 2.4986 3.0216 3.0216 3.3276 3.3276 4.3780 4.3780 4.4922 4.4922 4.5974 4.5974 4.7703 4.7703 5.2012 5.2012 5.3158 5.3158 5.5955 5.5955 5.8501 5.8501 5.9105 5.9105 9.9195 9.9195 9.9927 9.9927 13.5565 13.5565 13.7185 13.7185 14.1880 14.1880 14.5232 14.5232 k = 0.3636 0.5249 0.4753 ( 3780 PWs) bands (ev): -30.5789 -30.5789 -12.9709 -12.9709 -12.7920 -12.7920 -12.4187 -12.4187 -12.1937 -12.1937 -12.0313 -12.0313 -10.8429 -10.8429 -10.3643 -10.3643 -10.2950 -10.2950 -9.9347 -9.9347 -2.7546 -2.7546 -2.4177 -2.4177 0.4815 0.4815 0.7760 0.7760 1.1987 1.1987 2.3342 2.3342 2.5164 2.5164 2.9817 2.9817 3.3074 3.3074 4.4026 4.4026 4.4935 4.4935 4.5766 4.5766 4.7816 4.7816 5.2155 5.2155 5.3062 5.3062 5.5959 5.5959 5.8617 5.8617 5.9075 5.9075 9.9234 9.9234 9.9843 9.9843 13.5468 13.5468 13.6988 13.6988 14.2220 14.2220 14.4921 14.4921 k = 0.3561 0.5380 0.4753 ( 3784 PWs) bands (ev): -30.5789 -30.5789 -12.9439 -12.9439 -12.7985 -12.7985 -12.4351 -12.4351 -12.1917 -12.1917 -12.0485 -12.0485 -10.8398 -10.8398 -10.3575 -10.3575 -10.2868 -10.2868 -9.9442 -9.9442 -2.7137 -2.7137 -2.4570 -2.4570 0.5243 0.5243 0.7418 0.7418 1.1782 1.1782 2.3727 2.3727 2.5253 2.5253 2.9491 2.9491 3.2904 3.2904 4.4260 4.4260 4.4946 4.4946 4.5557 4.5557 4.7908 4.7908 5.2292 5.2292 5.2964 5.2964 5.5962 5.5962 5.8718 5.8718 5.9041 5.9041 9.9283 9.9283 9.9758 9.9758 13.5415 13.5415 13.6806 13.6806 14.2570 14.2570 14.4607 14.4607 k = 0.3485 0.5511 0.4753 ( 3780 PWs) bands (ev): -30.5789 -30.5789 -12.9160 -12.9160 -12.8111 -12.8111 -12.4481 -12.4481 -12.1893 -12.1893 -12.0609 -12.0609 -10.8376 -10.8376 -10.3524 -10.3524 -10.2807 -10.2807 -9.9513 -9.9513 -2.6716 -2.6716 -2.4978 -2.4978 0.5654 0.5654 0.7087 0.7087 1.1618 1.1618 2.4095 2.4095 2.5236 2.5236 2.9255 2.9255 3.2773 3.2773 4.4484 4.4484 4.4955 4.4955 4.5348 4.5348 4.7976 4.7976 5.2422 5.2422 5.2865 5.2865 5.5963 5.5963 5.8801 5.8801 5.9005 5.9005 9.9342 9.9342 9.9671 9.9671 13.5398 13.5398 13.6653 13.6653 14.2920 14.2920 14.4296 14.4296 k = 0.3409 0.5642 0.4753 ( 3784 PWs) bands (ev): -30.5789 -30.5789 -12.8874 -12.8874 -12.8305 -12.8305 -12.4563 -12.4563 -12.1875 -12.1875 -12.0685 -12.0685 -10.8364 -10.8364 -10.3491 -10.3491 -10.2771 -10.2771 -9.9557 -9.9557 -2.6284 -2.6284 -2.5403 -2.5403 0.6024 0.6024 0.6778 0.6778 1.1508 1.1508 2.4430 2.4430 2.5109 2.5109 2.9121 2.9121 3.2689 3.2689 4.4693 4.4693 4.4961 4.4961 4.5147 4.5147 4.8018 4.8018 5.2541 5.2541 5.2765 5.2765 5.5964 5.5964 5.8862 5.8862 5.8971 5.8971 9.9412 9.9412 9.9583 9.9583 13.5403 13.5403 13.6543 13.6543 14.3247 14.3247 14.4005 14.4005 k = 0.3333 0.5774 0.4753 ( 3780 PWs) bands (ev): -30.5789 -30.5789 -12.8625 -12.8625 -12.8524 -12.8524 -12.4591 -12.4591 -12.1868 -12.1868 -12.0710 -12.0710 -10.8360 -10.8360 -10.3479 -10.3479 -10.2760 -10.2760 -9.9572 -9.9572 -2.5845 -2.5845 -2.5839 -2.5839 0.6240 0.6240 0.6585 0.6585 1.1468 1.1468 2.4634 2.4634 2.4973 2.4973 2.9081 2.9081 3.2659 3.2659 4.4843 4.4843 4.4932 4.4932 4.5030 4.5030 4.8033 4.8033 5.2623 5.2623 5.2689 5.2689 5.5964 5.5964 5.8887 5.8887 5.8955 5.8955 9.9482 9.9482 9.9508 9.9508 13.5410 13.5410 13.6501 13.6501 14.3436 14.3436 14.3833 14.3833 k = 0.3333 0.5774 0.4753 ( 3780 PWs) bands (ev): -30.5789 -30.5789 -12.8625 -12.8625 -12.8524 -12.8524 -12.4591 -12.4591 -12.1868 -12.1868 -12.0710 -12.0710 -10.8360 -10.8360 -10.3479 -10.3479 -10.2760 -10.2760 -9.9572 -9.9572 -2.5845 -2.5845 -2.5839 -2.5839 0.6240 0.6240 0.6585 0.6585 1.1468 1.1468 2.4634 2.4634 2.4973 2.4973 2.9081 2.9081 3.2659 3.2659 4.4843 4.4843 4.4932 4.4932 4.5030 4.5030 4.8033 4.8033 5.2623 5.2623 5.2689 5.2689 5.5964 5.5964 5.8887 5.8887 5.8955 5.8955 9.9482 9.9482 9.9508 9.9508 13.5410 13.5410 13.6501 13.6501 14.3436 14.3436 14.3833 14.3833 k = 0.3258 0.5642 0.4753 ( 3776 PWs) bands (ev): -30.5789 -30.5789 -12.8905 -12.8905 -12.8271 -12.8271 -12.4565 -12.4565 -12.1875 -12.1875 -12.0686 -12.0686 -10.8364 -10.8364 -10.3494 -10.3494 -10.2767 -10.2767 -9.9558 -9.9558 -2.6295 -2.6295 -2.5392 -2.5392 0.6051 0.6051 0.6745 0.6745 1.1513 1.1513 2.4407 2.4407 2.5139 2.5139 2.9113 2.9113 3.2691 3.2691 4.4690 4.4690 4.4986 4.4986 4.5126 4.5126 4.8018 4.8018 5.2548 5.2548 5.2758 5.2758 5.5964 5.5964 5.8871 5.8871 5.8963 5.8963 9.9407 9.9407 9.9589 9.9589 13.5398 13.5398 13.6549 13.6549 14.3266 14.3266 14.3976 14.3976 k = 0.3182 0.5511 0.4753 ( 3784 PWs) bands (ev): -30.5789 -30.5789 -12.9280 -12.9280 -12.7970 -12.7970 -12.4494 -12.4494 -12.1893 -12.1893 -12.0617 -12.0617 -10.8375 -10.8375 -10.3546 -10.3546 -10.2780 -10.2780 -9.9519 -9.9519 -2.6762 -2.6762 -2.4934 -2.4934 0.5763 0.5763 0.6937 0.6937 1.1656 1.1656 2.4002 2.4002 2.5374 2.5374 2.9191 2.9191 3.2792 3.2792 4.4488 4.4488 4.5011 4.5011 4.5292 4.5292 4.7970 4.7970 5.2448 5.2448 5.2836 5.2836 5.5965 5.5965 5.8846 5.8846 5.8964 5.8964 9.9323 9.9323 9.9692 9.9692 13.5359 13.5359 13.6693 13.6693 14.2992 14.2992 14.4148 14.4148 k = 0.3106 0.5380 0.4753 ( 3784 PWs) bands (ev): -30.5789 -30.5789 -12.9696 -12.9696 -12.7665 -12.7665 -12.4387 -12.4387 -12.1915 -12.1915 -12.0509 -12.0509 -10.8393 -10.8393 -10.3642 -10.3642 -10.2785 -10.2785 -9.9461 -9.9461 -2.7241 -2.7241 -2.4470 -2.4470 0.5470 0.5470 0.7063 0.7063 1.1898 1.1898 2.3536 2.3536 2.5580 2.5580 2.9294 2.9294 3.2966 3.2966 4.4287 4.4287 4.5036 4.5036 4.5454 4.5454 4.7889 4.7889 5.2352 5.2352 5.2897 5.2897 5.5967 5.5967 5.8825 5.8825 5.8946 5.8946 9.9242 9.9242 9.9807 9.9807 13.5304 13.5304 13.6923 13.6923 14.2710 14.2710 14.4239 14.4239 k = 0.3030 0.5249 0.4753 ( 3786 PWs) bands (ev): -30.5790 -30.5790 -13.0140 -13.0140 -12.7361 -12.7361 -12.4252 -12.4252 -12.1937 -12.1937 -12.0369 -12.0369 -10.8417 -10.8417 -10.3781 -10.3781 -10.2778 -10.2778 -9.9388 -9.9388 -2.7733 -2.7733 -2.4001 -2.4001 0.5181 0.5181 0.7121 0.7121 1.2232 1.2232 2.3033 2.3033 2.5749 2.5749 2.9405 2.9405 3.3212 3.3212 4.4089 4.4089 4.5065 4.5065 4.5604 4.5604 4.7770 4.7770 5.2263 5.2263 5.2938 5.2938 5.5971 5.5971 5.8810 5.8810 5.8909 5.8909 9.9164 9.9164 9.9931 9.9931 13.5246 13.5246 13.7224 13.7224 14.2435 14.2435 14.4252 14.4252 k = 0.2955 0.5117 0.4753 ( 3782 PWs) bands (ev): -30.5790 -30.5790 -13.0604 -13.0604 -12.7058 -12.7058 -12.4097 -12.4097 -12.1951 -12.1951 -12.0201 -12.0201 -10.8448 -10.8448 -10.3958 -10.3958 -10.2757 -10.2757 -9.9307 -9.9307 -2.8236 -2.8236 -2.3529 -2.3529 0.4898 0.4898 0.7121 0.7121 1.2640 1.2640 2.2506 2.2506 2.5884 2.5884 2.9513 2.9513 3.3527 3.3527 4.3897 4.3897 4.5099 4.5099 4.5741 4.5741 4.7615 4.7615 5.2185 5.2185 5.2956 5.2956 5.5977 5.5977 5.8793 5.8793 5.8863 5.8863 9.9091 9.9091 10.0066 10.0066 13.5196 13.5196 13.7581 13.7581 14.2170 14.2170 14.4212 14.4212 k = 0.2879 0.4986 0.4753 ( 3782 PWs) bands (ev): -30.5790 -30.5790 -13.1081 -13.1081 -12.6760 -12.6760 -12.3931 -12.3931 -12.1951 -12.1951 -12.0009 -12.0009 -10.8485 -10.8485 -10.4165 -10.4165 -10.2727 -10.2727 -9.9223 -9.9223 -2.8749 -2.8749 -2.3053 -2.3053 0.4622 0.4622 0.7080 0.7080 1.3102 1.3102 2.1964 2.1964 2.5993 2.5993 2.9608 2.9608 3.3902 3.3902 4.3714 4.3714 4.5140 4.5140 4.5863 4.5863 4.7421 4.7421 5.2121 5.2121 5.2951 5.2951 5.5985 5.5985 5.8737 5.8737 5.8844 5.8844 9.9024 9.9024 10.0208 10.0208 13.5158 13.5158 13.7983 13.7983 14.1920 14.1920 14.4140 14.4140 k = 0.2803 0.4855 0.4753 ( 3778 PWs) bands (ev): -30.5790 -30.5790 -13.1566 -13.1566 -12.6470 -12.6470 -12.3759 -12.3759 -12.1932 -12.1932 -11.9793 -11.9793 -10.8529 -10.8529 -10.4394 -10.4394 -10.2689 -10.2689 -9.9139 -9.9139 -2.9273 -2.9273 -2.2575 -2.2575 0.4354 0.4354 0.7011 0.7011 1.3598 1.3598 2.1413 2.1413 2.6087 2.6087 2.9685 2.9685 3.4330 3.4330 4.3542 4.3542 4.5187 4.5187 4.5971 4.5971 4.7190 4.7190 5.2075 5.2075 5.2920 5.2920 5.5997 5.5997 5.8638 5.8638 5.8859 5.8859 9.8964 9.8964 10.0359 10.0359 13.5138 13.5138 13.8419 13.8419 14.1690 14.1690 14.4050 14.4050 k = 0.2727 0.4724 0.4753 ( 3782 PWs) bands (ev): -30.5790 -30.5790 -13.2056 -13.2056 -12.6188 -12.6188 -12.3589 -12.3589 -12.1888 -12.1888 -11.9555 -11.9555 -10.8579 -10.8579 -10.4639 -10.4639 -10.2646 -10.2646 -9.9059 -9.9059 -2.9806 -2.9806 -2.2096 -2.2096 0.4095 0.4095 0.6926 0.6926 1.4110 1.4110 2.0856 2.0856 2.6177 2.6177 2.9740 2.9740 3.4797 3.4797 4.3385 4.3385 4.5240 4.5240 4.6064 4.6064 4.6924 4.6924 5.2049 5.2049 5.2862 5.2862 5.6010 5.6010 5.8513 5.8513 5.8889 5.8889 9.8912 9.8912 10.0516 10.0516 13.5134 13.5134 13.8872 13.8872 14.1492 14.1492 14.3950 14.3950 k = 0.2652 0.4593 0.4753 ( 3782 PWs) bands (ev): -30.5790 -30.5790 -13.2546 -13.2546 -12.5918 -12.5918 -12.3429 -12.3429 -12.1812 -12.1812 -11.9295 -11.9295 -10.8637 -10.8637 -10.4894 -10.4894 -10.2601 -10.2601 -9.8986 -9.8986 -3.0349 -3.0349 -2.1617 -2.1617 0.3844 0.3844 0.6834 0.6834 1.4623 1.4623 2.0298 2.0298 2.6277 2.6277 2.9768 2.9768 3.5293 3.5293 4.3247 4.3247 4.5299 4.5299 4.6140 4.6140 4.6629 4.6629 5.2044 5.2044 5.2778 5.2778 5.6027 5.6027 5.8368 5.8368 5.8930 5.8930 9.8868 9.8868 10.0678 10.0678 13.5147 13.5147 13.9312 13.9312 14.1349 14.1349 14.3845 14.3845 k = 0.2576 0.4461 0.4753 ( 3786 PWs) bands (ev): -30.5790 -30.5790 -13.3035 -13.3035 -12.5661 -12.5661 -12.3283 -12.3283 -12.1700 -12.1700 -11.9014 -11.9014 -10.8702 -10.8702 -10.5156 -10.5156 -10.2553 -10.2553 -9.8921 -9.8921 -3.0899 -3.0899 -2.1138 -2.1138 0.3603 0.3603 0.6742 0.6742 1.5123 1.5123 1.9739 1.9739 2.6400 2.6400 2.9766 2.9766 3.5803 3.5803 4.3135 4.3135 4.5362 4.5362 4.6189 4.6189 4.6319 4.6319 5.2061 5.2061 5.2667 5.2667 5.6044 5.6044 5.8205 5.8205 5.8981 5.8981 9.8833 9.8833 10.0844 10.0844 13.5176 13.5176 13.9676 13.9676 14.1319 14.1319 14.3742 14.3742 k = 0.2500 0.4330 0.4753 ( 3786 PWs) bands (ev): -30.5791 -30.5791 -13.3519 -13.3519 -12.5420 -12.5420 -12.3154 -12.3154 -12.1549 -12.1549 -11.8710 -11.8710 -10.8776 -10.8776 -10.5419 -10.5419 -10.2504 -10.2504 -9.8866 -9.8866 -3.1457 -3.1457 -2.0661 -2.0661 0.3372 0.3372 0.6654 0.6654 1.5597 1.5597 1.9184 1.9184 2.6556 2.6556 2.9731 2.9731 3.6313 3.6313 4.3055 4.3055 4.5424 4.5424 4.5960 4.5960 4.6258 4.6258 5.2100 5.2100 5.2530 5.2530 5.6062 5.6062 5.8026 5.8026 5.9041 5.9041 9.8807 9.8807 10.1013 10.1013 13.5218 13.5218 13.9874 13.9874 14.1485 14.1485 14.3646 14.3646 k = 0.2424 0.4199 0.4753 ( 3786 PWs) bands (ev): -30.5791 -30.5791 -13.3999 -13.3999 -12.5196 -12.5196 -12.3043 -12.3043 -12.1362 -12.1362 -11.8386 -11.8386 -10.8861 -10.8861 -10.5680 -10.5680 -10.2454 -10.2454 -9.8823 -9.8823 -3.2022 -3.2022 -2.0185 -2.0185 0.3151 0.3151 0.6573 0.6573 1.6033 1.6033 1.8633 1.8633 2.6757 2.6757 2.9660 2.9660 3.6807 3.6807 4.3020 4.3020 4.5446 4.5446 4.5659 4.5659 4.6284 4.6284 5.2160 5.2160 5.2367 5.2367 5.6079 5.6079 5.7835 5.7835 5.9107 5.9107 9.8791 9.8791 10.1184 10.1184 13.5270 13.5270 13.9886 13.9886 14.1853 14.1853 14.3567 14.3567 k = 0.2348 0.4068 0.4753 ( 3784 PWs) bands (ev): -30.5791 -30.5791 -13.4472 -13.4472 -12.4989 -12.4989 -12.2944 -12.2944 -12.1143 -12.1143 -11.8039 -11.8039 -10.8956 -10.8956 -10.5934 -10.5934 -10.2405 -10.2405 -9.8793 -9.8793 -3.2593 -3.2593 -1.9712 -1.9712 0.2941 0.2941 0.6503 0.6503 1.6423 1.6423 1.8088 1.8088 2.7011 2.7011 2.9553 2.9553 3.7267 3.7267 4.3041 4.3041 4.5193 4.5193 4.5626 4.5626 4.6297 4.6297 5.2172 5.2172 5.2247 5.2247 5.6091 5.6091 5.7636 5.7636 5.9180 5.9180 9.8785 9.8785 10.1355 10.1355 13.5330 13.5330 13.9788 13.9788 14.2317 14.2317 14.3533 14.3533 k = 0.2273 0.3936 0.4753 ( 3776 PWs) bands (ev): -30.5791 -30.5791 -13.4937 -13.4937 -12.4800 -12.4800 -12.2854 -12.2854 -12.0897 -12.0897 -11.7672 -11.7672 -10.9065 -10.9065 -10.6179 -10.6179 -10.2356 -10.2356 -9.8776 -9.8776 -3.3169 -3.3169 -1.9243 -1.9243 0.2743 0.2743 0.6445 0.6445 1.6760 1.6760 1.7550 1.7550 2.7323 2.7323 2.9406 2.9406 3.7675 3.7675 4.3134 4.3134 4.4839 4.4839 4.5696 4.5696 4.6294 4.6294 5.1963 5.1963 5.2345 5.2345 5.6091 5.6091 5.7439 5.7439 5.9256 5.9256 9.8789 9.8789 10.1525 10.1525 13.5394 13.5394 13.9643 13.9643 14.2720 14.2720 14.3635 14.3635 k = 0.2197 0.3805 0.4753 ( 3780 PWs) bands (ev): -30.5792 -30.5792 -13.5392 -13.5392 -12.4630 -12.4630 -12.2768 -12.2768 -12.0632 -12.0632 -11.7286 -11.7286 -10.9190 -10.9190 -10.6410 -10.6410 -10.2308 -10.2308 -9.8772 -9.8772 -3.3750 -3.3750 -1.8777 -1.8777 0.2558 0.2558 0.6400 0.6400 1.7016 1.7016 1.7046 1.7046 2.7693 2.7693 2.9219 2.9219 3.8014 3.8014 4.3309 4.3309 4.4484 4.4484 4.5776 4.5776 4.6276 4.6276 5.1729 5.1729 5.2464 5.2464 5.6070 5.6070 5.7255 5.7255 5.9336 5.9336 9.8803 9.8803 10.1692 10.1692 13.5457 13.5457 13.9479 13.9479 14.2891 14.2891 14.4009 14.4009 k = 0.2121 0.3674 0.4753 ( 3780 PWs) bands (ev): -30.5792 -30.5792 -13.5838 -13.5838 -12.4478 -12.4478 -12.2683 -12.2683 -12.0351 -12.0351 -11.6880 -11.6880 -10.9332 -10.9332 -10.6623 -10.6623 -10.2262 -10.2262 -9.8783 -9.8783 -3.4334 -3.4334 -1.8317 -1.8317 0.2386 0.2386 0.6369 0.6369 1.6503 1.6503 1.7264 1.7264 2.8115 2.8115 2.8999 2.8999 3.8272 3.8272 4.3575 4.3575 4.4139 4.4139 4.5860 4.5860 4.6243 4.6243 5.1475 5.1475 5.2600 5.2600 5.6010 5.6010 5.7103 5.7103 5.9417 5.9417 9.8825 9.8825 10.1857 10.1857 13.5516 13.5516 13.9308 13.9308 14.2897 14.2897 14.4570 14.4570 k = 0.2045 0.3543 0.4753 ( 3780 PWs) bands (ev): -30.5792 -30.5792 -13.6273 -13.6273 -12.4341 -12.4341 -12.2595 -12.2595 -12.0060 -12.0060 -11.6457 -11.6457 -10.9492 -10.9492 -10.6816 -10.6816 -10.2218 -10.2218 -9.8809 -9.8809 -3.4921 -3.4921 -1.7861 -1.7861 0.2229 0.2229 0.6353 0.6353 1.5996 1.5996 1.7432 1.7432 2.8494 2.8494 2.8832 2.8832 3.8449 3.8449 4.3810 4.3810 4.3929 4.3929 4.5943 4.5943 4.6198 4.6198 5.1204 5.1204 5.2753 5.2753 5.5894 5.5894 5.7004 5.7004 5.9500 5.9500 9.8856 9.8856 10.2017 10.2017 13.5567 13.5567 13.9135 13.9135 14.2847 14.2847 14.5195 14.5195 k = 0.1970 0.3412 0.4753 ( 3772 PWs) bands (ev): -30.5792 -30.5792 -13.6697 -13.6697 -12.4219 -12.4219 -12.2506 -12.2506 -11.9761 -11.9761 -11.6018 -11.6018 -10.9672 -10.9672 -10.6985 -10.6985 -10.2176 -10.2176 -9.8849 -9.8849 -3.5509 -3.5509 -1.7412 -1.7412 0.2086 0.2086 0.6353 0.6353 1.5501 1.5501 1.7550 1.7550 2.8331 2.8331 2.9213 2.9213 3.8552 3.8552 4.3504 4.3504 4.4355 4.4355 4.6018 4.6018 4.6149 4.6149 5.0920 5.0920 5.2921 5.2921 5.5715 5.5715 5.6966 5.6966 5.9582 5.9582 9.8894 9.8894 10.2172 10.2172 13.5606 13.5606 13.8964 13.8964 14.2776 14.2776 14.5834 14.5834 k = 0.1894 0.3280 0.4753 ( 3768 PWs) bands (ev): -30.5793 -30.5793 -13.7109 -13.7109 -12.4110 -12.4110 -12.2414 -12.2414 -11.9458 -11.9458 -11.5564 -11.5564 -10.9871 -10.9871 -10.7130 -10.7130 -10.2138 -10.2138 -9.8905 -9.8905 -3.6099 -3.6099 -1.6969 -1.6969 0.1958 0.1958 0.6368 0.6368 1.5020 1.5020 1.7624 1.7624 2.7981 2.7981 2.9774 2.9774 3.8596 3.8596 4.3224 4.3224 4.4828 4.4828 4.6041 4.6041 4.6148 4.6148 5.0628 5.0628 5.3102 5.3102 5.5485 5.5485 5.6979 5.6979 5.9663 5.9663 9.8939 9.8939 10.2320 10.2320 13.5630 13.5630 13.8795 13.8795 14.2687 14.2687 14.6463 14.6463 k = 0.1818 0.3149 0.4753 ( 3768 PWs) bands (ev): -30.5793 -30.5793 -13.7508 -13.7508 -12.4011 -12.4011 -12.2320 -12.2320 -11.9152 -11.9152 -11.5098 -11.5098 -11.0088 -11.0088 -10.7250 -10.7250 -10.2103 -10.2103 -9.8975 -9.8975 -3.6687 -3.6687 -1.6534 -1.6534 0.1847 0.1847 0.6398 0.6398 1.4553 1.4553 1.7661 1.7661 2.7577 2.7577 3.0375 3.0375 3.8597 3.8597 4.2971 4.2971 4.5292 4.5292 4.6026 4.6026 4.6217 4.6217 5.0334 5.0334 5.3296 5.3296 5.5219 5.5219 5.7030 5.7030 5.9742 5.9742 9.8988 9.8988 10.2463 10.2463 13.5638 13.5638 13.8630 13.8630 14.2574 14.2574 14.7064 14.7064 k = 0.1742 0.3018 0.4753 ( 3768 PWs) bands (ev): -30.5793 -30.5793 -13.7894 -13.7894 -12.3921 -12.3921 -12.2224 -12.2224 -11.8846 -11.8846 -11.4621 -11.4621 -11.0320 -11.0320 -10.7346 -10.7346 -10.2072 -10.2072 -9.9060 -9.9060 -3.7273 -3.7273 -1.6107 -1.6107 0.1753 0.1753 0.6443 0.6443 1.4102 1.4102 1.7666 1.7666 2.7131 2.7131 3.0995 3.0995 3.8569 3.8569 4.2748 4.2748 4.5558 4.5558 4.6195 4.6195 4.6298 4.6298 5.0050 5.0050 5.3500 5.3500 5.4928 5.4928 5.7111 5.7111 5.9818 5.9818 9.9041 9.9041 10.2597 10.2597 13.5627 13.5627 13.8467 13.8467 14.2426 14.2426 14.7592 14.7592 k = 0.1667 0.2887 0.4753 ( 3772 PWs) bands (ev): -30.5794 -30.5794 -13.8266 -13.8266 -12.3837 -12.3837 -12.2128 -12.2128 -11.8541 -11.8541 -11.4136 -11.4136 -11.0564 -11.0564 -10.7419 -10.7419 -10.2046 -10.2046 -9.9160 -9.9160 -3.7856 -3.7856 -1.5689 -1.5689 0.1676 0.1676 0.6502 0.6502 1.3667 1.3667 1.7647 1.7647 2.6647 2.6647 3.1621 3.1621 3.8528 3.8528 4.2554 4.2554 4.5539 4.5539 4.6367 4.6367 4.6627 4.6627 4.9798 4.9798 5.3713 5.3713 5.4621 5.4621 5.7214 5.7214 5.9890 5.9890 9.9096 9.9096 10.2725 10.2725 13.5599 13.5599 13.8309 13.8309 14.2229 14.2229 14.7865 14.7865 k = 0.1591 0.2756 0.4753 ( 3762 PWs) bands (ev): -30.5794 -30.5794 -13.8624 -13.8624 -12.3758 -12.3758 -12.2032 -12.2032 -11.8240 -11.8240 -11.3645 -11.3645 -11.0818 -11.0818 -10.7470 -10.7470 -10.2024 -10.2024 -9.9274 -9.9274 -3.8434 -3.8434 -1.5281 -1.5281 0.1617 0.1617 0.6576 0.6576 1.3248 1.3248 1.7608 1.7608 2.6130 2.6130 3.2237 3.2237 3.8486 3.8486 4.2389 4.2389 4.5428 4.5428 4.6444 4.6444 4.7065 4.7065 4.9621 4.9621 5.3933 5.3933 5.4303 5.4303 5.7336 5.7336 5.9958 5.9958 9.9152 9.9152 10.2844 10.2844 13.5552 13.5552 13.8154 13.8154 14.1970 14.1970 14.7867 14.7867 k = 0.1515 0.2624 0.4753 ( 3758 PWs) bands (ev): -30.5795 -30.5795 -13.8968 -13.8968 -12.3683 -12.3683 -12.1936 -12.1936 -11.7942 -11.7942 -11.3150 -11.3150 -11.1077 -11.1077 -10.7501 -10.7501 -10.2009 -10.2009 -9.9402 -9.9402 -3.9005 -3.9005 -1.4883 -1.4883 0.1577 0.1577 0.6662 0.6662 1.2847 1.2847 1.7554 1.7554 2.5583 2.5583 3.2829 3.2829 3.8458 3.8458 4.2252 4.2252 4.5285 4.5285 4.6516 4.6516 4.7373 4.7373 4.9597 4.9597 5.3967 5.3967 5.4168 5.4168 5.7474 5.7474 6.0021 6.0021 9.9208 9.9208 10.2955 10.2955 13.5487 13.5487 13.8003 13.8003 14.1641 14.1641 14.7824 14.7824 k = 0.1439 0.2493 0.4753 ( 3758 PWs) bands (ev): -30.5795 -30.5795 -13.9297 -13.9297 -12.3611 -12.3611 -12.1842 -12.1842 -11.7651 -11.7651 -11.2656 -11.2656 -11.1337 -11.1337 -10.7513 -10.7513 -10.2000 -10.2000 -9.9543 -9.9543 -3.9567 -3.9567 -1.4496 -1.4496 0.1554 0.1554 0.6761 0.6761 1.2464 1.2464 1.7490 1.7490 2.5013 2.5013 3.3377 3.3377 3.8461 3.8461 4.2141 4.2141 4.5126 4.5126 4.6584 4.6584 4.7461 4.7461 4.9801 4.9801 5.3637 5.3637 5.4397 5.4397 5.7628 5.7628 6.0079 6.0079 9.9262 9.9262 10.3057 10.3057 13.5404 13.5404 13.7856 13.7856 14.1243 14.1243 14.7790 14.7790 k = 0.1364 0.2362 0.4753 ( 3750 PWs) bands (ev): -30.5795 -30.5795 -13.9611 -13.9611 -12.3541 -12.3541 -12.1750 -12.1750 -11.7367 -11.7367 -11.2179 -11.2179 -11.1580 -11.1580 -10.7505 -10.7505 -10.1997 -10.1997 -9.9698 -9.9698 -4.0119 -4.0119 -1.4122 -1.4122 0.1550 0.1550 0.6870 0.6870 1.2100 1.2100 1.7418 1.7418 2.4424 2.4424 3.3862 3.3862 3.8512 3.8512 4.2054 4.2054 4.4957 4.4957 4.6649 4.6649 4.7348 4.7348 5.0208 5.0208 5.3298 5.3298 5.4633 5.4633 5.7794 5.7794 6.0131 6.0131 9.9313 9.9313 10.3151 10.3151 13.5305 13.5305 13.7713 13.7713 14.0786 14.0786 14.7785 14.7785 k = 0.1288 0.2231 0.4753 ( 3742 PWs) bands (ev): -30.5796 -30.5796 -13.9909 -13.9909 -12.3472 -12.3472 -12.1660 -12.1660 -11.7091 -11.7091 -11.1965 -11.1965 -11.1562 -11.1562 -10.7480 -10.7480 -10.2002 -10.2002 -9.9865 -9.9865 -4.0659 -4.0659 -1.3761 -1.3761 0.1565 0.1565 0.6990 0.6990 1.1754 1.1754 1.7340 1.7340 2.3820 2.3820 3.4263 3.4263 3.8630 3.8630 4.1987 4.1987 4.4782 4.4782 4.6710 4.6710 4.7121 4.7121 5.0727 5.0727 5.2954 5.2954 5.4871 5.4871 5.7972 5.7972 6.0177 6.0177 9.9359 9.9359 10.3237 10.3237 13.5188 13.5188 13.7574 13.7574 14.0286 14.0286 14.7817 14.7817 k = 0.1212 0.2099 0.4753 ( 3742 PWs) bands (ev): -30.5796 -30.5796 -14.0192 -14.0192 -12.3404 -12.3404 -12.1572 -12.1572 -11.6826 -11.6826 -11.2181 -11.2181 -11.1115 -11.1115 -10.7437 -10.7437 -10.2015 -10.2015 -10.0044 -10.0044 -4.1185 -4.1185 -1.3414 -1.3414 0.1597 0.1597 0.7117 0.7117 1.1428 1.1428 1.7261 1.7261 2.3208 2.3208 3.4563 3.4563 3.8828 3.8828 4.1940 4.1940 4.4604 4.4604 4.6759 4.6759 4.6847 4.6847 5.1297 5.1297 5.2608 5.2608 5.5110 5.5110 5.8159 5.8159 6.0216 6.0216 9.9400 9.9400 10.3314 10.3314 13.5052 13.5052 13.7438 13.7438 13.9765 13.9765 14.7883 14.7883 k = 0.1136 0.1968 0.4753 ( 3742 PWs) bands (ev): -30.5796 -30.5796 -14.0458 -14.0458 -12.3338 -12.3338 -12.1487 -12.1487 -11.6572 -11.6572 -11.2432 -11.2432 -11.0634 -11.0634 -10.7377 -10.7377 -10.2036 -10.2036 -10.0234 -10.0234 -4.1694 -4.1694 -1.3082 -1.3082 0.1647 0.1647 0.7252 0.7252 1.1122 1.1122 1.7180 1.7180 2.2593 2.2593 3.4759 3.4759 3.9109 3.9109 4.1909 4.1909 4.4429 4.4429 4.6529 4.6529 4.6826 4.6826 5.1885 5.1885 5.2259 5.2259 5.5348 5.5348 5.8352 5.8352 6.0248 6.0248 9.9435 9.9435 10.3384 10.3384 13.4894 13.4894 13.7304 13.7304 13.9245 13.9245 14.7974 14.7974 k = 0.1061 0.1837 0.4753 ( 3742 PWs) bands (ev): -30.5797 -30.5797 -14.0709 -14.0709 -12.3273 -12.3273 -12.1404 -12.1404 -11.6332 -11.6332 -11.2683 -11.2683 -11.0154 -11.0154 -10.7299 -10.7299 -10.2067 -10.2067 -10.0435 -10.0435 -4.2184 -4.2184 -1.2765 -1.2765 0.1712 0.1712 0.7391 0.7391 1.0836 1.0836 1.7100 1.7100 2.1979 2.1979 3.4859 3.4859 3.9460 3.9460 4.1892 4.1892 4.4259 4.4259 4.6218 4.6218 4.6874 4.6874 5.1908 5.1908 5.2476 5.2476 5.5583 5.5583 5.8549 5.8549 6.0274 6.0274 9.9464 9.9464 10.3446 10.3446 13.4711 13.4711 13.7170 13.7170 13.8748 13.8748 14.8079 14.8079 k = 0.0985 0.1706 0.4753 ( 3742 PWs) bands (ev): -30.5797 -30.5797 -14.0943 -14.0943 -12.3209 -12.3209 -12.1324 -12.1324 -11.6105 -11.6105 -11.2928 -11.2928 -10.9682 -10.9682 -10.7204 -10.7204 -10.2107 -10.2107 -10.0645 -10.0645 -4.2653 -4.2653 -1.2466 -1.2466 0.1793 0.1793 0.7533 0.7533 1.0571 1.0571 1.7022 1.7022 2.1372 2.1372 3.4882 3.4882 3.9861 3.9861 4.1886 4.1886 4.4100 4.4100 4.5907 4.5907 4.6920 4.6920 5.1555 5.1555 5.3059 5.3059 5.5815 5.5815 5.8746 5.8746 6.0293 6.0293 9.9486 9.9486 10.3500 10.3500 13.4498 13.4498 13.7034 13.7034 13.8295 13.8295 14.8187 14.8187 k = 0.0909 0.1575 0.4753 ( 3736 PWs) bands (ev): -30.5797 -30.5797 -14.1161 -14.1161 -12.3147 -12.3147 -12.1247 -12.1247 -11.5892 -11.5892 -11.3164 -11.3164 -10.9221 -10.9221 -10.7091 -10.7091 -10.2157 -10.2157 -10.0863 -10.0863 -4.3100 -4.3100 -1.2184 -1.2184 0.1887 0.1887 0.7676 0.7676 1.0327 1.0327 1.6947 1.6947 2.0777 2.0777 3.4850 3.4850 4.0288 4.0288 4.1890 4.1890 4.3959 4.3959 4.5604 4.5604 4.6963 4.6963 5.1200 5.1200 5.3627 5.3627 5.6041 5.6041 5.8941 5.8941 6.0304 6.0304 9.9502 9.9502 10.3548 10.3548 13.4254 13.4254 13.6892 13.6892 13.7905 13.7905 14.8288 14.8288 k = 0.0833 0.1443 0.4753 ( 3736 PWs) bands (ev): -30.5798 -30.5798 -14.1361 -14.1361 -12.3088 -12.3088 -12.1173 -12.1173 -11.5696 -11.5696 -11.3391 -11.3391 -10.8775 -10.8775 -10.6962 -10.6962 -10.2217 -10.2217 -10.1089 -10.1089 -4.3521 -4.3521 -1.1921 -1.1921 0.1993 0.1993 0.7817 0.7817 1.0104 1.0104 1.6876 1.6876 2.0199 2.0199 3.4778 3.4778 4.0716 4.0716 4.1901 4.1901 4.3845 4.3845 4.5313 4.5313 4.7002 4.7002 5.0844 5.0844 5.4175 5.4175 5.6261 5.6261 5.9129 5.9129 6.0309 6.0309 9.9511 9.9511 10.3589 10.3589 13.3976 13.3976 13.6742 13.6742 13.7590 13.7590 14.8377 14.8377 k = 0.0758 0.1312 0.4753 ( 3736 PWs) bands (ev): -30.5798 -30.5798 -14.1545 -14.1545 -12.3031 -12.3031 -12.1103 -12.1103 -11.5516 -11.5516 -11.3605 -11.3605 -10.8346 -10.8346 -10.6815 -10.6815 -10.2288 -10.2288 -10.1319 -10.1319 -4.3914 -4.3914 -1.1677 -1.1677 0.2108 0.2108 0.7954 0.7954 0.9904 0.9904 1.6809 1.6809 1.9644 1.9644 3.4681 3.4681 4.1123 4.1123 4.1917 4.1917 4.3772 4.3772 4.5037 4.5037 4.7037 4.7037 5.0485 5.0485 5.4700 5.4700 5.6472 5.6472 5.9308 5.9308 6.0308 6.0308 9.9514 9.9514 10.3625 10.3625 13.3671 13.3671 13.6585 13.6585 13.7352 13.7352 14.8451 14.8451 k = 0.0682 0.1181 0.4753 ( 3734 PWs) bands (ev): -30.5798 -30.5798 -14.1712 -14.1712 -12.2977 -12.2977 -12.1036 -12.1036 -11.5353 -11.5353 -11.3806 -11.3806 -10.7938 -10.7938 -10.6651 -10.6651 -10.2370 -10.2370 -10.1554 -10.1554 -4.4278 -4.4278 -1.1454 -1.1454 0.2229 0.2229 0.8083 0.8083 0.9726 0.9726 1.6746 1.6746 1.9118 1.9118 3.4570 3.4570 4.1481 4.1481 4.1937 4.1937 4.3757 4.3757 4.4781 4.4781 4.7069 4.7069 5.0125 5.0125 5.5196 5.5196 5.6673 5.6673 5.9474 5.9474 6.0300 6.0300 9.9513 9.9513 10.3655 10.3655 13.3348 13.3348 13.6431 13.6431 13.7178 13.7178 14.8511 14.8511 k = 0.0606 0.1050 0.4753 ( 3726 PWs) bands (ev): -30.5798 -30.5798 -14.1862 -14.1862 -12.2927 -12.2927 -12.0973 -12.0973 -11.5208 -11.5208 -11.3991 -11.3991 -10.7555 -10.7555 -10.6470 -10.6470 -10.2462 -10.2462 -10.1791 -10.1791 -4.4610 -4.4610 -1.1252 -1.1252 0.2353 0.2353 0.8202 0.8202 0.9572 0.9572 1.6687 1.6687 1.8627 1.8627 3.4453 3.4453 4.1762 4.1762 4.1960 4.1960 4.3823 4.3823 4.4547 4.4547 4.7097 4.7097 4.9763 4.9763 5.5659 5.5659 5.6864 5.6864 5.9624 5.9624 6.0288 6.0288 9.9507 9.9507 10.3681 10.3681 13.3020 13.3020 13.6291 13.6291 13.7052 13.7052 14.8560 14.8560 k = 0.0530 0.0919 0.4753 ( 3722 PWs) bands (ev): -30.5799 -30.5799 -14.1994 -14.1994 -12.2882 -12.2882 -12.0916 -12.0916 -11.5081 -11.5081 -11.4159 -11.4159 -10.7202 -10.7202 -10.6273 -10.6273 -10.2563 -10.2563 -10.2028 -10.2028 -4.4908 -4.4908 -1.1072 -1.1072 0.2478 0.2478 0.8307 0.8307 0.9444 0.9444 1.6632 1.6632 1.8176 1.8176 3.4337 3.4337 4.1942 4.1942 4.1992 4.1992 4.3974 4.3974 4.4350 4.4350 4.7122 4.7122 4.9399 4.9399 5.6085 5.6085 5.7041 5.7041 5.9755 5.9755 6.0273 6.0273 9.9499 9.9499 10.3702 10.3702 13.2701 13.2701 13.6171 13.6171 13.6957 13.6957 14.8598 14.8598 k = 0.0455 0.0787 0.4753 ( 3726 PWs) bands (ev): -30.5799 -30.5799 -14.2108 -14.2108 -12.2841 -12.2841 -12.0864 -12.0864 -11.4972 -11.4972 -11.4308 -11.4308 -10.6883 -10.6883 -10.6062 -10.6062 -10.2671 -10.2671 -10.2261 -10.2261 -4.5170 -4.5170 -1.0914 -1.0914 0.2597 0.2597 0.8395 0.8395 0.9342 0.9342 1.6581 1.6581 1.7773 1.7773 3.4226 3.4226 4.1996 4.1996 4.2063 4.2063 4.4066 4.4066 4.4327 4.4327 4.7143 4.7143 4.9034 4.9034 5.6468 5.6468 5.7204 5.7204 5.9865 5.9865 6.0255 6.0255 9.9488 9.9488 10.3719 10.3719 13.2401 13.2401 13.6071 13.6071 13.6885 13.6885 14.8628 14.8628 k = 0.0379 0.0656 0.4753 ( 3726 PWs) bands (ev): -30.5799 -30.5799 -14.2206 -14.2206 -12.2806 -12.2806 -12.0818 -12.0818 -11.4882 -11.4882 -11.4435 -11.4435 -10.6602 -10.6602 -10.5842 -10.5842 -10.2784 -10.2784 -10.2487 -10.2487 -4.5395 -4.5395 -1.0780 -1.0780 0.2709 0.2709 0.8461 0.8461 0.9269 0.9269 1.6530 1.6530 1.7425 1.7425 3.4125 3.4125 4.2018 4.2018 4.2103 4.2103 4.3941 4.3941 4.4608 4.4608 4.7161 4.7161 4.8669 4.8669 5.6801 5.6801 5.7353 5.7353 5.9952 5.9952 6.0239 6.0239 9.9477 9.9477 10.3733 10.3733 13.2133 13.2133 13.5991 13.5991 13.6830 13.6830 14.8651 14.8651 k = 0.0303 0.0525 0.4753 ( 3718 PWs) bands (ev): -30.5799 -30.5799 -14.2285 -14.2285 -12.2777 -12.2777 -12.0779 -12.0779 -11.4812 -11.4812 -11.4538 -11.4538 -10.6362 -10.6362 -10.5621 -10.5621 -10.2896 -10.2896 -10.2698 -10.2698 -4.5581 -4.5581 -1.0669 -1.0669 0.2807 0.2807 0.8504 0.8504 0.9222 0.9222 1.6477 1.6477 1.7143 1.7143 3.4038 3.4038 4.2035 4.2035 4.2112 4.2112 4.3812 4.3812 4.4954 4.4954 4.7176 4.7176 4.8306 4.8306 5.7078 5.7078 5.7486 5.7486 6.0015 6.0015 6.0226 6.0226 9.9466 9.9466 10.3744 10.3744 13.1903 13.1903 13.5929 13.5929 13.6788 13.6788 14.8670 14.8670 k = 0.0227 0.0394 0.4753 ( 3716 PWs) bands (ev): -30.5799 -30.5799 -14.2347 -14.2347 -12.2753 -12.2753 -12.0747 -12.0747 -11.4770 -11.4770 -11.4608 -11.4608 -10.6167 -10.6167 -10.5414 -10.5414 -10.3001 -10.3001 -10.2888 -10.2888 -4.5727 -4.5727 -1.0583 -1.0583 0.2889 0.2889 0.8529 0.8529 0.9198 0.9198 1.6418 1.6418 1.6935 1.6935 3.3967 3.3967 4.2047 4.2047 4.2107 4.2107 4.3707 4.3707 4.5314 4.5314 4.7187 4.7187 4.7949 4.7949 5.7290 5.7290 5.7605 5.7605 6.0053 6.0053 6.0221 6.0221 9.9456 9.9456 10.3752 10.3752 13.1719 13.1719 13.5883 13.5883 13.6757 13.6757 14.8683 14.8683 k = 0.0152 0.0262 0.4753 ( 3720 PWs) bands (ev): -30.5799 -30.5799 -14.2392 -14.2392 -12.2736 -12.2736 -12.0724 -12.0724 -11.4765 -11.4765 -11.4635 -11.4635 -10.6019 -10.6019 -10.5240 -10.5240 -10.3091 -10.3091 -10.3042 -10.3042 -4.5832 -4.5832 -1.0521 -1.0521 0.2950 0.2950 0.8539 0.8539 0.9189 0.9189 1.6355 1.6355 1.6802 1.6802 3.3914 3.3914 4.2053 4.2053 4.2100 4.2100 4.3631 4.3631 4.5661 4.5661 4.7195 4.7195 4.7611 4.7611 5.7432 5.7432 5.7706 5.7706 6.0069 6.0069 6.0223 6.0223 9.9449 9.9449 10.3758 10.3758 13.1584 13.1584 13.5851 13.5851 13.6736 13.6736 14.8692 14.8692 k = 0.0076 0.0131 0.4753 ( 3720 PWs) bands (ev): -30.5799 -30.5799 -14.2419 -14.2419 -12.2726 -12.2726 -12.0710 -12.0710 -11.4780 -11.4780 -11.4632 -11.4632 -10.5926 -10.5926 -10.5121 -10.5121 -10.3166 -10.3166 -10.3133 -10.3133 -4.5895 -4.5895 -1.0483 -1.0483 0.2988 0.2988 0.8542 0.8542 0.9187 0.9187 1.6305 1.6305 1.6734 1.6734 3.3882 3.3882 4.2054 4.2054 4.2097 4.2097 4.3584 4.3584 4.5951 4.5951 4.7199 4.7199 4.7329 4.7329 5.7511 5.7511 5.7777 5.7777 6.0074 6.0074 6.0227 6.0227 9.9444 9.9444 10.3761 10.3761 13.1502 13.1502 13.5832 13.5832 13.6724 13.6724 14.8697 14.8697 k = 0.0000 0.0000 0.4753 ( 3716 PWs) bands (ev): -30.5799 -30.5799 -14.2427 -14.2427 -12.2722 -12.2722 -12.0706 -12.0706 -11.4788 -11.4788 -11.4629 -11.4629 -10.5895 -10.5895 -10.5078 -10.5078 -10.3200 -10.3200 -10.3158 -10.3158 -4.5917 -4.5917 -1.0471 -1.0471 0.3001 0.3001 0.8542 0.8542 0.9187 0.9187 1.6285 1.6285 1.6714 1.6714 3.3872 3.3872 4.2054 4.2054 4.2097 4.2097 4.3569 4.3569 4.6080 4.6080 4.7188 4.7188 4.7215 4.7215 5.7536 5.7536 5.7803 5.7803 6.0075 6.0075 6.0230 6.0230 9.9442 9.9442 10.3762 10.3762 13.1474 13.1474 13.5826 13.5826 13.6720 13.6720 14.8699 14.8699 k = 0.5000 0.2887 0.4753 ( 3756 PWs) bands (ev): -30.5790 -30.5790 -13.2265 -13.2265 -12.8751 -12.8751 -12.3535 -12.3535 -12.1056 -12.1056 -11.2605 -11.2605 -11.2451 -11.2451 -10.5903 -10.5903 -10.3655 -10.3655 -9.7714 -9.7714 -3.1557 -3.1557 -2.0532 -2.0532 0.0145 0.0145 1.3424 1.3424 1.6848 1.6848 1.7581 1.7581 1.9713 1.9713 3.7069 3.7069 3.7832 3.7832 3.9263 3.9263 4.3183 4.3183 4.5890 4.5890 4.8366 4.8366 5.0257 5.0257 5.4136 5.4136 5.5776 5.5776 5.6529 5.6529 5.8918 5.8918 9.9221 9.9221 10.0669 10.0669 13.7658 13.7658 14.0371 14.0371 14.3469 14.3469 14.4819 14.4819 k = 0.5000 0.2887 0.4600 ( 3760 PWs) bands (ev): -30.5790 -30.5790 -13.2276 -13.2276 -12.8745 -12.8745 -12.3519 -12.3519 -12.1059 -12.1059 -11.2649 -11.2649 -11.2426 -11.2426 -10.5875 -10.5875 -10.3664 -10.3664 -9.7721 -9.7721 -3.1561 -3.1561 -2.0528 -2.0528 0.0152 0.0152 1.3423 1.3423 1.6855 1.6855 1.7565 1.7565 1.9712 1.9712 3.7067 3.7067 3.7821 3.7821 3.9292 3.9292 4.3171 4.3171 4.5890 4.5890 4.8346 4.8346 5.0269 5.0269 5.4142 5.4142 5.5715 5.5715 5.6583 5.6583 5.8922 5.8922 9.9229 9.9229 10.0660 10.0660 13.7665 13.7665 14.0382 14.0382 14.3470 14.3470 14.4820 14.4820 k = 0.5000 0.2887 0.4446 ( 3758 PWs) bands (ev): -30.5790 -30.5790 -13.2311 -13.2311 -12.8727 -12.8727 -12.3471 -12.3471 -12.1066 -12.1066 -11.2759 -11.2759 -11.2372 -11.2372 -10.5792 -10.5792 -10.3691 -10.3691 -9.7742 -9.7742 -3.1574 -3.1574 -2.0517 -2.0517 0.0174 0.0174 1.3421 1.3421 1.6876 1.6876 1.7517 1.7517 1.9709 1.9709 3.7060 3.7060 3.7788 3.7788 3.9375 3.9375 4.3136 4.3136 4.5888 4.5888 4.8289 4.8289 5.0303 5.0303 5.4161 5.4161 5.5565 5.5565 5.6710 5.6710 5.8933 5.8933 9.9255 9.9255 10.0635 10.0635 13.7682 13.7682 14.0414 14.0414 14.3471 14.3471 14.4826 14.4826 k = 0.5000 0.2887 0.4293 ( 3764 PWs) bands (ev): -30.5790 -30.5790 -13.2367 -13.2367 -12.8698 -12.8698 -12.3394 -12.3394 -12.1077 -12.1077 -11.2919 -11.2919 -11.2300 -11.2300 -10.5661 -10.5661 -10.3736 -10.3736 -9.7777 -9.7777 -3.1594 -3.1594 -2.0499 -2.0499 0.0210 0.0210 1.3417 1.3417 1.6910 1.6910 1.7439 1.7439 1.9704 1.9704 3.7049 3.7049 3.7740 3.7740 3.9505 3.9505 4.3080 4.3080 4.5884 4.5884 4.8196 4.8196 5.0356 5.0356 5.4191 5.4191 5.5373 5.5373 5.6865 5.6865 5.8953 5.8953 9.9298 9.9298 10.0592 10.0592 13.7710 13.7710 14.0468 14.0468 14.3471 14.3471 14.4835 14.4835 k = 0.5000 0.2887 0.4140 ( 3770 PWs) bands (ev): -30.5791 -30.5791 -13.2444 -13.2444 -12.8657 -12.8657 -12.3292 -12.3292 -12.1089 -12.1089 -11.3125 -11.3125 -11.2209 -11.2209 -10.5488 -10.5488 -10.3797 -10.3797 -9.7826 -9.7826 -3.1622 -3.1622 -2.0474 -2.0474 0.0261 0.0261 1.3412 1.3412 1.6958 1.6958 1.7332 1.7332 1.9697 1.9697 3.7034 3.7034 3.7682 3.7682 3.9675 3.9675 4.3005 4.3005 4.5879 4.5879 4.8074 4.8074 5.0426 5.0426 5.4229 5.4229 5.5162 5.5162 5.7026 5.7026 5.8982 5.8982 9.9358 9.9358 10.0533 10.0533 13.7744 13.7744 14.0542 14.0542 14.3471 14.3471 14.4850 14.4850 k = 0.5000 0.2887 0.3986 ( 3766 PWs) bands (ev): -30.5791 -30.5791 -13.2538 -13.2538 -12.8604 -12.8604 -12.3169 -12.3169 -12.1097 -12.1097 -11.3370 -11.3370 -11.2097 -11.2097 -10.5283 -10.5283 -10.3874 -10.3874 -9.7888 -9.7888 -3.1658 -3.1658 -2.0442 -2.0442 0.0325 0.0325 1.3406 1.3406 1.7012 1.7012 1.7205 1.7205 1.9687 1.9687 3.7015 3.7015 3.7618 3.7618 3.9877 3.9877 4.2913 4.2913 4.5873 4.5873 4.7928 4.7928 5.0507 5.0507 5.4273 5.4273 5.4940 5.4940 5.7183 5.7183 5.9019 5.9019 9.9434 9.9434 10.0459 10.0459 13.7779 13.7779 14.0634 14.0634 14.3467 14.3467 14.4872 14.4872 k = 0.5000 0.2887 0.3833 ( 3766 PWs) bands (ev): -30.5791 -30.5791 -13.2648 -13.2648 -12.8540 -12.8540 -12.3033 -12.3033 -12.1096 -12.1096 -11.3649 -11.3649 -11.1965 -11.1965 -10.5055 -10.5055 -10.3964 -10.3964 -9.7964 -9.7964 -3.1700 -3.1700 -2.0403 -2.0403 0.0402 0.0402 1.3399 1.3399 1.6998 1.6998 1.7134 1.7134 1.9674 1.9674 3.6991 3.6991 3.7552 3.7552 4.0105 4.0105 4.2807 4.2807 4.5865 4.5865 4.7761 4.7761 5.0598 5.0598 5.4320 5.4320 5.4713 5.4713 5.7331 5.7331 5.9067 5.9067 9.9526 9.9526 10.0371 10.0371 13.7811 13.7811 14.0742 14.0742 14.3460 14.3460 14.4902 14.4902 k = 0.5000 0.2887 0.3680 ( 3762 PWs) bands (ev): -30.5791 -30.5791 -13.2770 -13.2770 -12.8465 -12.8465 -12.2894 -12.2894 -12.1078 -12.1078 -11.3954 -11.3954 -11.1814 -11.1814 -10.4823 -10.4823 -10.4055 -10.4055 -9.8052 -9.8052 -3.1750 -3.1750 -2.0358 -2.0358 0.0492 0.0492 1.3391 1.3391 1.6836 1.6836 1.7203 1.7203 1.9658 1.9658 3.6962 3.6962 3.7483 3.7483 4.0351 4.0351 4.2691 4.2691 4.5855 4.5855 4.7579 4.7579 5.0696 5.0696 5.4364 5.4364 5.4487 5.4487 5.7468 5.7468 5.9126 5.9126 9.9633 9.9633 10.0271 10.0271 13.7833 13.7833 14.0860 14.0860 14.3449 14.3449 14.4939 14.4939 k = 0.5000 0.2887 0.3526 ( 3766 PWs) bands (ev): -30.5791 -30.5791 -13.2903 -13.2903 -12.8379 -12.8379 -12.2764 -12.2764 -12.1032 -12.1032 -11.4281 -11.4281 -11.1645 -11.1645 -10.4627 -10.4627 -10.4114 -10.4114 -9.8153 -9.8153 -3.1806 -3.1806 -2.0308 -2.0308 0.0593 0.0593 1.3382 1.3382 1.6638 1.6638 1.7300 1.7300 1.9639 1.9639 3.6930 3.6930 3.7414 3.7414 4.0612 4.0612 4.2568 4.2568 4.5844 4.5844 4.7385 4.7385 5.0798 5.0798 5.4254 5.4254 5.4413 5.4413 5.7592 5.7592 5.9195 5.9195 9.9753 9.9753 10.0160 10.0160 13.7839 13.7839 14.0981 14.0981 14.3434 14.3434 14.4982 14.4982 k = 0.5000 0.2887 0.3373 ( 3758 PWs) bands (ev): -30.5791 -30.5791 -13.3043 -13.3043 -12.8283 -12.8283 -12.2656 -12.2656 -12.0947 -12.0947 -11.4624 -11.4624 -11.1458 -11.1458 -10.4576 -10.4576 -10.4036 -10.4036 -9.8264 -9.8264 -3.1867 -3.1867 -2.0252 -2.0252 0.0705 0.0705 1.3373 1.3373 1.6423 1.6423 1.7411 1.7411 1.9616 1.9616 3.6894 3.6894 3.7343 3.7343 4.0881 4.0881 4.2440 4.2440 4.5830 4.5830 4.7186 4.7186 5.0904 5.0904 5.4033 5.4033 5.4449 5.4449 5.7703 5.7703 5.9275 5.9275 9.9887 9.9887 10.0039 10.0039 13.7824 13.7824 14.1098 14.1098 14.3420 14.3420 14.5020 14.5020 k = 0.5000 0.2887 0.3220 ( 3766 PWs) bands (ev): -30.5791 -30.5791 -13.3188 -13.3188 -12.8176 -12.8176 -12.2580 -12.2580 -12.0815 -12.0815 -11.4980 -11.4980 -11.1256 -11.1256 -10.4676 -10.4676 -10.3820 -10.3820 -9.8386 -9.8386 -3.1933 -3.1933 -2.0192 -2.0192 0.0827 0.0827 1.3364 1.3364 1.6195 1.6195 1.7533 1.7533 1.9589 1.9589 3.6855 3.6855 3.7270 3.7270 4.1152 4.1152 4.2312 4.2312 4.5815 4.5815 4.6984 4.6984 5.1012 5.1012 5.3816 5.3816 5.4478 5.4478 5.7799 5.7799 5.9366 5.9366 9.9910 9.9910 10.0032 10.0032 13.7781 13.7781 14.1200 14.1200 14.3408 14.3408 14.5025 14.5025 k = 0.5000 0.2887 0.3066 ( 3774 PWs) bands (ev): -30.5791 -30.5791 -13.3337 -13.3337 -12.8058 -12.8058 -12.2540 -12.2540 -12.0634 -12.0634 -11.5344 -11.5344 -11.1040 -11.1040 -10.4836 -10.4836 -10.3559 -10.3559 -9.8518 -9.8518 -3.2004 -3.2004 -2.0127 -2.0127 0.0957 0.0957 1.3355 1.3355 1.5957 1.5957 1.7665 1.7665 1.9558 1.9558 3.6813 3.6813 3.7195 3.7195 4.1419 4.1419 4.2186 4.2186 4.5797 4.5797 4.6786 4.6786 5.1119 5.1119 5.3610 5.3610 5.4498 5.4498 5.7881 5.7881 5.9467 5.9467 9.9776 9.9776 10.0188 10.0188 13.7707 13.7707 14.1283 14.1283 14.3399 14.3399 14.4988 14.4988 k = 0.5000 0.2887 0.2913 ( 3780 PWs) bands (ev): -30.5791 -30.5791 -13.3487 -13.3487 -12.7930 -12.7930 -12.2533 -12.2533 -12.0409 -12.0409 -11.5712 -11.5712 -11.0810 -11.0810 -10.5026 -10.5026 -10.3290 -10.3290 -9.8657 -9.8657 -3.2079 -3.2079 -2.0059 -2.0059 0.1095 0.1095 1.3346 1.3346 1.5714 1.5714 1.7804 1.7804 1.9523 1.9523 3.6768 3.6768 3.7117 3.7117 4.1673 4.1673 4.2064 4.2064 4.5777 4.5777 4.6595 4.6595 5.1225 5.1225 5.3416 5.3416 5.4509 5.4509 5.7947 5.7947 5.9576 5.9576 9.9636 9.9636 10.0352 10.0352 13.7597 13.7597 14.1345 14.1345 14.3389 14.3389 14.4962 14.4962 k = 0.5000 0.2887 0.2760 ( 3788 PWs) bands (ev): -30.5791 -30.5791 -13.3636 -13.3636 -12.7793 -12.7793 -12.2552 -12.2552 -12.0148 -12.0148 -11.6081 -11.6081 -11.0570 -11.0570 -10.5236 -10.5236 -10.3024 -10.3024 -9.8802 -9.8802 -3.2157 -3.2157 -1.9988 -1.9988 0.1239 0.1239 1.3338 1.3338 1.5467 1.5467 1.7950 1.7950 1.9485 1.9485 3.6720 3.6720 3.7037 3.7037 4.1881 4.1881 4.1978 4.1978 4.5754 4.5754 4.6418 4.6418 5.1327 5.1327 5.3240 5.3240 5.4509 5.4509 5.7999 5.7999 5.9693 5.9693 9.9494 9.9494 10.0524 10.0524 13.7452 13.7452 14.1388 14.1388 14.3367 14.3367 14.4984 14.4984 k = 0.5000 0.2887 0.2606 ( 3776 PWs) bands (ev): -30.5791 -30.5791 -13.3784 -13.3784 -12.7645 -12.7645 -12.2590 -12.2590 -11.9862 -11.9862 -11.6447 -11.6447 -11.0320 -11.0320 -10.5462 -10.5462 -10.2768 -10.2768 -9.8950 -9.8950 -3.2236 -3.2236 -1.9915 -1.9915 0.1388 0.1388 1.3329 1.3329 1.5221 1.5221 1.8101 1.8101 1.9444 1.9444 3.6671 3.6671 3.6954 3.6954 4.1819 4.1819 4.2144 4.2144 4.5729 4.5729 4.6257 4.6257 5.1423 5.1423 5.3085 5.3085 5.4502 5.4502 5.8036 5.8036 5.9814 5.9814 9.9351 9.9351 10.0702 10.0702 13.7274 13.7274 14.1421 14.1421 14.3328 14.3328 14.5061 14.5061 k = 0.5000 0.2887 0.2453 ( 3772 PWs) bands (ev): -30.5792 -30.5792 -13.3928 -13.3928 -12.7487 -12.7487 -12.2641 -12.2641 -11.9563 -11.9563 -11.6804 -11.6804 -11.0061 -11.0061 -10.5702 -10.5702 -10.2527 -10.2527 -9.9099 -9.9099 -3.2317 -3.2317 -1.9841 -1.9841 0.1540 0.1540 1.3321 1.3321 1.4978 1.4978 1.8253 1.8253 1.9403 1.9403 3.6618 3.6618 3.6869 3.6869 4.1716 4.1716 4.2329 4.2329 4.5703 4.5703 4.6119 4.6119 5.1509 5.1509 5.2956 5.2956 5.4485 5.4485 5.8060 5.8060 5.9939 5.9939 9.9208 9.9208 10.0884 10.0884 13.7065 13.7065 14.1451 14.1451 14.3266 14.3266 14.5184 14.5184 k = 0.5000 0.2887 0.2300 ( 3770 PWs) bands (ev): -30.5792 -30.5792 -13.4069 -13.4069 -12.7321 -12.7321 -12.2700 -12.2700 -11.9266 -11.9266 -11.7140 -11.7140 -10.9795 -10.9795 -10.5954 -10.5954 -10.2309 -10.2309 -9.9244 -9.9244 -3.2399 -3.2399 -1.9766 -1.9766 0.1693 0.1693 1.3312 1.3312 1.4741 1.4741 1.8403 1.8403 1.9364 1.9364 3.6559 3.6559 3.6787 3.6787 4.1618 4.1618 4.2483 4.2483 4.5674 4.5674 4.6004 4.6004 5.1585 5.1585 5.2857 5.2857 5.4462 5.4462 5.8070 5.8070 6.0066 6.0066 9.9066 9.9066 10.1068 10.1068 13.6831 13.6831 14.1483 14.1483 14.3185 14.3185 14.5338 14.5338 k = 0.5000 0.2887 0.2146 ( 3766 PWs) bands (ev): -30.5792 -30.5792 -13.4203 -13.4203 -12.7145 -12.7145 -12.2765 -12.2765 -11.9000 -11.9000 -11.7430 -11.7430 -10.9525 -10.9525 -10.6217 -10.6217 -10.2120 -10.2120 -9.9378 -9.9378 -3.2480 -3.2480 -1.9691 -1.9691 0.1847 0.1847 1.3301 1.3301 1.4513 1.4513 1.8543 1.8543 1.9333 1.9333 3.6491 3.6491 3.6712 3.6712 4.1527 4.1527 4.2603 4.2603 4.5643 4.5643 4.5912 4.5912 5.1648 5.1648 5.2791 5.2791 5.4434 5.4434 5.8068 5.8068 6.0192 6.0192 9.8927 9.8927 10.1253 10.1253 13.6580 13.6580 14.1521 14.1521 14.3089 14.3089 14.5508 14.5508 k = 0.5000 0.2887 0.1993 ( 3762 PWs) bands (ev): -30.5792 -30.5792 -13.4332 -13.4332 -12.6960 -12.6960 -12.2832 -12.2832 -11.8833 -11.8833 -11.7607 -11.7607 -10.9251 -10.9251 -10.6489 -10.6489 -10.1967 -10.1967 -9.9495 -9.9495 -3.2560 -3.2560 -1.9617 -1.9617 0.2000 0.2000 1.3288 1.3288 1.4299 1.4299 1.8662 1.8662 1.9321 1.9321 3.6409 3.6409 3.6648 3.6648 4.1442 4.1442 4.2690 4.2690 4.5611 4.5611 4.5841 4.5841 5.1701 5.1701 5.2759 5.2759 5.4401 5.4401 5.8055 5.8055 6.0315 6.0315 9.8792 9.8792 10.1436 10.1436 13.6318 13.6318 14.1566 14.1566 14.2982 14.2982 14.5681 14.5681 k = 0.5000 0.2887 0.1840 ( 3766 PWs) bands (ev): -30.5792 -30.5792 -13.4453 -13.4453 -12.6768 -12.6768 -12.2901 -12.2901 -11.8862 -11.8862 -11.7577 -11.7577 -10.8977 -10.8977 -10.6767 -10.6767 -10.1861 -10.1861 -9.9586 -9.9586 -3.2638 -3.2638 -1.9545 -1.9545 0.2150 0.2150 1.3267 1.3267 1.4103 1.4103 1.8742 1.8742 1.9344 1.9344 3.6311 3.6311 3.6599 3.6599 4.1364 4.1364 4.2747 4.2747 4.5580 4.5580 4.5785 4.5785 5.1747 5.1747 5.2755 5.2755 5.4366 5.4366 5.8033 5.8033 6.0435 6.0435 9.8662 9.8662 10.1615 10.1615 13.6051 13.6051 14.1618 14.1618 14.2868 14.2868 14.5847 14.5847 k = 0.5000 0.2887 0.1687 ( 3766 PWs) bands (ev): -30.5792 -30.5792 -13.4567 -13.4567 -12.6568 -12.6568 -12.2971 -12.2971 -11.9066 -11.9066 -11.7364 -11.7364 -10.8707 -10.8707 -10.7046 -10.7046 -10.1808 -10.1808 -9.9643 -9.9643 -3.2714 -3.2714 -1.9475 -1.9475 0.2296 0.2296 1.3236 1.3236 1.3932 1.3932 1.8774 1.8774 1.9412 1.9412 3.6203 3.6203 3.6562 3.6562 4.1292 4.1292 4.2780 4.2780 4.5548 4.5548 4.5738 4.5738 5.1793 5.1793 5.2773 5.2773 5.4329 5.4329 5.8002 5.8002 6.0549 6.0549 9.8539 9.8539 10.1789 10.1789 13.5787 13.5787 14.1674 14.1674 14.2750 14.2750 14.6000 14.6000 k = 0.5000 0.2887 0.1533 ( 3764 PWs) bands (ev): -30.5792 -30.5792 -13.4673 -13.4673 -12.6361 -12.6361 -12.3040 -12.3040 -11.9346 -11.9346 -11.7065 -11.7065 -10.8450 -10.8450 -10.7318 -10.7318 -10.1812 -10.1812 -9.9662 -9.9662 -3.2786 -3.2786 -1.9409 -1.9409 0.2435 0.2435 1.3186 1.3186 1.3793 1.3793 1.8763 1.8763 1.9517 1.9517 3.6087 3.6087 3.6534 3.6534 4.1226 4.1226 4.2796 4.2796 4.5517 4.5517 4.5695 4.5695 5.1845 5.1845 5.2806 5.2806 5.4292 5.4292 5.7965 5.7965 6.0657 6.0657 9.8423 9.8423 10.1956 10.1956 13.5530 13.5530 14.1734 14.1734 14.2633 14.2633 14.6136 14.6136 k = 0.5000 0.2887 0.1380 ( 3768 PWs) bands (ev): -30.5792 -30.5792 -13.4770 -13.4770 -12.6148 -12.6148 -12.3109 -12.3109 -11.9650 -11.9650 -11.6735 -11.6735 -10.8238 -10.8238 -10.7548 -10.7548 -10.1869 -10.1869 -9.9646 -9.9646 -3.2853 -3.2853 -1.9346 -1.9346 0.2567 0.2567 1.3114 1.3114 1.3693 1.3693 1.8728 1.8728 1.9641 1.9641 3.5969 3.5969 3.6514 3.6514 4.1166 4.1166 4.2801 4.2801 4.5487 4.5487 4.5650 4.5650 5.1905 5.1905 5.2846 5.2846 5.4256 5.4256 5.7922 5.7922 6.0758 6.0758 9.8315 9.8315 10.2114 10.2114 13.5285 13.5285 14.1794 14.1794 14.2518 14.2518 14.6254 14.6254 k = 0.5000 0.2887 0.1227 ( 3772 PWs) bands (ev): -30.5792 -30.5792 -13.4858 -13.4858 -12.5930 -12.5930 -12.3177 -12.3177 -11.9957 -11.9957 -11.6396 -11.6396 -10.8194 -10.8194 -10.7616 -10.7616 -10.1969 -10.1969 -9.9604 -9.9604 -3.2916 -3.2916 -1.9288 -1.9288 0.2690 0.2690 1.3021 1.3021 1.3630 1.3630 1.8681 1.8681 1.9770 1.9770 3.5850 3.5850 3.6500 3.6500 4.1112 4.1112 4.2802 4.2802 4.5458 4.5458 4.5603 4.5603 5.1976 5.1976 5.2888 5.2888 5.4222 5.4222 5.7876 5.7876 6.0849 6.0849 9.8216 9.8216 10.2260 10.2260 13.5057 13.5057 14.1853 14.1853 14.2409 14.2409 14.6353 14.6353 k = 0.5000 0.2887 0.1073 ( 3766 PWs) bands (ev): -30.5792 -30.5792 -13.4936 -13.4936 -12.5709 -12.5709 -12.3246 -12.3246 -12.0255 -12.0255 -11.6061 -11.6061 -10.8372 -10.8372 -10.7464 -10.7464 -10.2101 -10.2101 -9.9544 -9.9544 -3.2972 -3.2972 -1.9235 -1.9235 0.2802 0.2802 1.2918 1.2918 1.3594 1.3594 1.8630 1.8630 1.9896 1.9896 3.5736 3.5736 3.6491 3.6491 4.1064 4.1064 4.2801 4.2801 4.5431 4.5431 4.5551 4.5551 5.2056 5.2056 5.2928 5.2928 5.4190 5.4190 5.7830 5.7830 6.0932 6.0932 9.8127 9.8127 10.2394 10.2394 13.4848 13.4848 14.1908 14.1908 14.2310 14.2310 14.6434 14.6434 k = 0.5000 0.2887 0.0920 ( 3766 PWs) bands (ev): -30.5793 -30.5793 -13.5004 -13.5004 -12.5487 -12.5487 -12.3317 -12.3317 -12.0538 -12.0538 -11.5739 -11.5739 -10.8617 -10.8617 -10.7247 -10.7247 -10.2251 -10.2251 -9.9478 -9.9478 -3.3023 -3.3023 -1.9188 -1.9188 0.2902 0.2902 1.2817 1.2817 1.3575 1.3575 1.8579 1.8579 2.0014 2.0014 3.5628 3.5628 3.6486 3.6486 4.1021 4.1021 4.2800 4.2800 4.5405 4.5405 4.5497 4.5497 5.2142 5.2142 5.2962 5.2962 5.4161 5.4161 5.7784 5.7784 6.1004 6.1004 9.8048 9.8048 10.2513 10.2513 13.4661 13.4661 14.1953 14.1953 14.2226 14.2226 14.6500 14.6500 k = 0.5000 0.2887 0.0767 ( 3770 PWs) bands (ev): -30.5793 -30.5793 -13.5063 -13.5063 -12.5267 -12.5267 -12.3390 -12.3390 -12.0799 -12.0799 -11.5438 -11.5438 -10.8866 -10.8866 -10.7028 -10.7028 -10.2408 -10.2408 -9.9413 -9.9413 -3.3067 -3.3067 -1.9147 -1.9147 0.2989 0.2989 1.2723 1.2723 1.3565 1.3565 1.8532 1.8532 2.0119 2.0119 3.5531 3.5531 3.6484 3.6484 4.0985 4.0985 4.2802 4.2802 4.5382 4.5382 4.5444 4.5444 5.2229 5.2229 5.2989 5.2989 5.4135 5.4135 5.7741 5.7741 6.1066 6.1066 9.7981 9.7981 10.2617 10.2617 13.4500 13.4500 14.1978 14.1978 14.2167 14.2167 14.6551 14.6551 k = 0.5000 0.2887 0.0613 ( 3764 PWs) bands (ev): -30.5793 -30.5793 -13.5111 -13.5111 -12.5053 -12.5053 -12.3468 -12.3468 -12.1029 -12.1029 -11.5167 -11.5167 -10.9097 -10.9097 -10.6825 -10.6825 -10.2560 -10.2560 -9.9354 -9.9354 -3.3103 -3.3103 -1.9113 -1.9113 0.3062 0.3062 1.2642 1.2642 1.3562 1.3562 1.8490 1.8490 2.0209 2.0209 3.5446 3.5446 3.6484 3.6484 4.0954 4.0954 4.2805 4.2805 4.5358 4.5358 4.5398 4.5398 5.2313 5.2313 5.3007 5.3007 5.4114 5.4114 5.7702 5.7702 6.1117 6.1117 9.7925 9.7925 10.2703 10.2703 13.4365 13.4365 14.1970 14.1970 14.2147 14.2147 14.6589 14.6589 k = 0.5000 0.2887 0.0460 ( 3768 PWs) bands (ev): -30.5793 -30.5793 -13.5148 -13.5148 -12.4852 -12.4852 -12.3551 -12.3551 -12.1221 -12.1221 -11.4938 -11.4938 -10.9297 -10.9297 -10.6651 -10.6651 -10.2695 -10.2695 -9.9304 -9.9304 -3.3132 -3.3132 -1.9086 -1.9086 0.3120 0.3120 1.2578 1.2578 1.3561 1.3561 1.8456 1.8456 2.0282 2.0282 3.5378 3.5378 3.6485 3.6485 4.0930 4.0930 4.2810 4.2810 4.5329 4.5329 4.5367 4.5367 5.2388 5.2388 5.3018 5.3018 5.4098 5.4098 5.7670 5.7670 6.1157 6.1157 9.7880 9.7880 10.2772 10.2772 13.4259 13.4259 14.1939 14.1939 14.2156 14.2156 14.6617 14.6617 k = 0.5000 0.2887 0.0307 ( 3768 PWs) bands (ev): -30.5793 -30.5793 -13.5175 -13.5175 -12.4676 -12.4676 -12.3635 -12.3635 -12.1366 -12.1366 -11.4762 -11.4762 -10.9452 -10.9452 -10.6516 -10.6516 -10.2804 -10.2804 -9.9267 -9.9267 -3.3152 -3.3152 -1.9066 -1.9066 0.3162 0.3162 1.2530 1.2530 1.3561 1.3561 1.8431 1.8431 2.0335 2.0335 3.5327 3.5327 3.6486 3.6486 4.0912 4.0912 4.2814 4.2814 4.5299 4.5299 4.5350 4.5350 5.2448 5.2448 5.3022 5.3022 5.4085 5.4085 5.7646 5.7646 6.1186 6.1186 9.7849 9.7849 10.2821 10.2821 13.4182 13.4182 14.1908 14.1908 14.2171 14.2171 14.6636 14.6636 k = 0.5000 0.2887 0.0153 ( 3774 PWs) bands (ev): -30.5793 -30.5793 -13.5191 -13.5191 -12.4547 -12.4547 -12.3706 -12.3706 -12.1457 -12.1457 -11.4650 -11.4650 -10.9551 -10.9551 -10.6430 -10.6430 -10.2874 -10.2874 -9.9245 -9.9245 -3.3165 -3.3165 -1.9055 -1.9055 0.3187 0.3187 1.2502 1.2502 1.3562 1.3562 1.8415 1.8415 2.0367 2.0367 3.5296 3.5296 3.6487 3.6487 4.0901 4.0901 4.2817 4.2817 4.5278 4.5278 4.5342 4.5342 5.2487 5.2487 5.3023 5.3023 5.4078 5.4078 5.7631 5.7631 6.1203 6.1203 9.7830 9.7830 10.2851 10.2851 13.4135 13.4135 14.1887 14.1887 14.2183 14.2183 14.6647 14.6647 k = 0.5000 0.2887-0.0000 ( 3764 PWs) bands (ev): -30.5793 -30.5793 -13.5197 -13.5197 -12.4497 -12.4497 -12.3736 -12.3736 -12.1488 -12.1488 -11.4612 -11.4612 -10.9585 -10.9585 -10.6400 -10.6400 -10.2899 -10.2899 -9.9237 -9.9237 -3.3169 -3.3169 -1.9051 -1.9051 0.3196 0.3196 1.2492 1.2492 1.3562 1.3562 1.8410 1.8410 2.0378 2.0378 3.5285 3.5285 3.6488 3.6488 4.0898 4.0898 4.2818 4.2818 4.5271 4.5271 4.5339 4.5339 5.2501 5.2501 5.3023 5.3023 5.4076 5.4076 5.7626 5.7626 6.1209 6.1209 9.7824 9.7824 10.2861 10.2861 13.4120 13.4120 14.1880 14.1880 14.2187 14.2187 14.6651 14.6651 k = 0.3333 0.5774-0.0000 ( 3762 PWs) bands (ev): -30.5791 -30.5791 -13.1608 -13.1608 -13.1221 -13.1221 -12.2539 -12.2539 -11.6106 -11.6106 -11.4499 -11.4499 -11.2455 -11.2455 -10.6665 -10.6665 -10.6397 -10.6397 -9.7130 -9.7130 -2.5420 -2.5420 -2.5419 -2.5419 0.6289 0.6289 0.6646 0.6646 1.2458 1.2458 2.4036 2.4036 2.4198 2.4198 2.8585 2.8585 3.2235 3.2235 4.2659 4.2659 4.4806 4.4806 4.4807 4.4807 4.8839 4.8839 5.1573 5.1573 5.1624 5.1624 5.6625 5.6625 5.9357 5.9357 5.9409 5.9409 9.9401 9.9401 9.9425 9.9425 13.5453 13.5453 13.6667 13.6667 13.8812 13.8812 14.8483 14.8483 k = 0.3333 0.5774 0.0153 ( 3756 PWs) bands (ev): -30.5791 -30.5791 -13.1543 -13.1543 -13.1160 -13.1160 -12.2424 -12.2424 -11.6364 -11.6364 -11.4827 -11.4827 -11.2750 -11.2750 -10.6412 -10.6412 -10.6096 -10.6096 -9.6952 -9.6952 -2.5475 -2.5475 -2.5472 -2.5472 0.6144 0.6144 0.6503 0.6503 1.2221 1.2221 2.4095 2.4095 2.4253 2.4253 2.8581 2.8581 3.2294 3.2294 4.3059 4.3059 4.4981 4.4981 4.4982 4.4982 4.8848 4.8848 5.1537 5.1537 5.1585 5.1585 5.6413 5.6413 5.9457 5.9457 5.9511 5.9511 9.9530 9.9530 9.9554 9.9554 13.5100 13.5100 13.6340 13.6340 13.8781 13.8781 14.7988 14.7988 k = 0.3333 0.5774 0.0307 ( 3756 PWs) bands (ev): -30.5791 -30.5791 -13.1466 -13.1466 -13.1089 -13.1089 -12.2318 -12.2318 -11.6637 -11.6637 -11.5168 -11.5168 -11.3023 -11.3023 -10.6153 -10.6153 -10.5793 -10.5793 -9.6789 -9.6789 -2.5532 -2.5532 -2.5526 -2.5526 0.6001 0.6001 0.6362 0.6362 1.1984 1.1984 2.4159 2.4159 2.4313 2.4313 2.8579 2.8579 3.2363 3.2363 4.3455 4.3455 4.5135 4.5135 4.5137 4.5137 4.8852 4.8852 5.1528 5.1528 5.1573 5.1573 5.6198 5.6198 5.9550 5.9550 5.9606 5.9606 9.9659 9.9659 9.9682 9.9682 13.4746 13.4746 13.6010 13.6010 13.8770 13.8770 14.7488 14.7488 k = 0.3333 0.5774 0.0460 ( 3756 PWs) bands (ev): -30.5791 -30.5791 -13.1378 -13.1378 -13.1007 -13.1007 -12.2226 -12.2226 -11.6922 -11.6922 -11.5518 -11.5518 -11.3270 -11.3270 -10.5892 -10.5892 -10.5490 -10.5490 -9.6642 -9.6642 -2.5590 -2.5590 -2.5582 -2.5582 0.5862 0.5862 0.6226 0.6226 1.1750 1.1750 2.4225 2.4225 2.4378 2.4378 2.8580 2.8580 3.2442 3.2442 4.3845 4.3845 4.5266 4.5266 4.5271 4.5271 4.8852 4.8852 5.1547 5.1547 5.1587 5.1587 5.5983 5.5983 5.9636 5.9636 5.9694 5.9694 9.9786 9.9786 9.9809 9.9809 13.4397 13.4397 13.5682 13.5682 13.8775 13.8775 14.6987 14.6988 k = 0.3333 0.5774 0.0613 ( 3750 PWs) bands (ev): -30.5791 -30.5791 -13.1280 -13.1280 -13.0915 -13.0915 -12.2150 -12.2150 -11.7215 -11.7215 -11.5875 -11.5875 -11.3488 -11.3488 -10.5631 -10.5631 -10.5191 -10.5191 -9.6511 -9.6511 -2.5649 -2.5649 -2.5638 -2.5638 0.5730 0.5730 0.6095 0.6095 1.1521 1.1521 2.4294 2.4294 2.4445 2.4445 2.8584 2.8584 3.2527 3.2527 4.4227 4.4227 4.5376 4.5376 4.5381 4.5381 4.8848 4.8848 5.1592 5.1592 5.1626 5.1626 5.5769 5.5769 5.9714 5.9714 5.9774 5.9774 9.9910 9.9910 9.9932 9.9932 13.4057 13.4057 13.5362 13.5362 13.8798 13.8798 14.6489 14.6489 k = 0.3333 0.5774 0.0767 ( 3750 PWs) bands (ev): -30.5791 -30.5791 -13.1170 -13.1170 -13.0813 -13.0813 -12.2094 -12.2094 -11.7514 -11.7514 -11.6237 -11.6237 -11.3674 -11.3674 -10.5374 -10.5374 -10.4899 -10.4899 -9.6398 -9.6398 -2.5707 -2.5707 -2.5695 -2.5695 0.5604 0.5604 0.5971 0.5971 1.1300 1.1300 2.4363 2.4363 2.4514 2.4514 2.8590 2.8590 3.2618 3.2618 4.4597 4.4597 4.5462 4.5462 4.5470 4.5470 4.8840 4.8840 5.1661 5.1661 5.1689 5.1689 5.5559 5.5559 5.9784 5.9784 5.9846 5.9846 10.0030 10.0030 10.0052 10.0052 13.3731 13.3731 13.5055 13.5055 13.8839 13.8839 14.5997 14.5997 k = 0.3333 0.5774 0.0920 ( 3744 PWs) bands (ev): -30.5791 -30.5791 -13.1050 -13.1050 -13.0701 -13.0701 -12.2059 -12.2059 -11.7817 -11.7817 -11.6601 -11.6601 -11.3824 -11.3824 -10.5122 -10.5122 -10.4615 -10.4615 -9.6301 -9.6301 -2.5765 -2.5765 -2.5750 -2.5750 0.5486 0.5486 0.5854 0.5854 1.1089 1.1089 2.4433 2.4433 2.4584 2.4584 2.8598 2.8598 3.2712 3.2712 4.4955 4.4955 4.5530 4.5530 4.5538 4.5538 4.8828 4.8828 5.1751 5.1751 5.1771 5.1771 5.5354 5.5354 5.9846 5.9846 5.9909 5.9909 10.0144 10.0144 10.0165 10.0165 13.3425 13.3425 13.4766 13.4766 13.8898 13.8898 14.5514 14.5514 k = 0.3333 0.5774 0.1073 ( 3744 PWs) bands (ev): -30.5791 -30.5791 -13.0919 -13.0919 -13.0580 -13.0580 -12.2049 -12.2049 -11.8123 -11.8123 -11.6965 -11.6965 -11.3937 -11.3937 -10.4877 -10.4877 -10.4341 -10.4341 -9.6222 -9.6222 -2.5822 -2.5822 -2.5805 -2.5805 0.5378 0.5378 0.5747 0.5747 1.0889 1.0889 2.4501 2.4501 2.4654 2.4654 2.8609 2.8609 3.2806 3.2806 4.5296 4.5296 4.5580 4.5580 4.5589 4.5589 4.8812 4.8812 5.1857 5.1857 5.1869 5.1869 5.5156 5.5156 5.9900 5.9900 5.9964 5.9964 10.0250 10.0250 10.0271 10.0271 13.3141 13.3141 13.4498 13.4498 13.8975 13.8975 14.5043 14.5043 k = 0.3333 0.5774 0.1227 ( 3750 PWs) bands (ev): -30.5791 -30.5791 -13.0779 -13.0779 -13.0450 -13.0450 -12.2065 -12.2065 -11.8428 -11.8428 -11.7328 -11.7328 -11.4010 -11.4010 -10.4642 -10.4642 -10.4078 -10.4078 -9.6161 -9.6161 -2.5876 -2.5876 -2.5858 -2.5858 0.5279 0.5279 0.5650 0.5650 1.0702 1.0702 2.4568 2.4568 2.4722 2.4722 2.8622 2.8622 3.2900 3.2900 4.5595 4.5595 4.5625 4.5625 4.5639 4.5639 4.8792 4.8792 5.1975 5.1975 5.1979 5.1979 5.4967 5.4967 5.9944 5.9944 6.0011 6.0011 10.0348 10.0348 10.0368 10.0368 13.2884 13.2884 13.4257 13.4257 13.9070 13.9070 14.4587 14.4587 k = 0.3333 0.5774 0.1380 ( 3765 PWs) bands (ev): -30.5791 -30.5791 -13.0629 -13.0629 -13.0312 -13.0312 -12.2108 -12.2108 -11.8733 -11.8733 -11.7689 -11.7689 -11.4042 -11.4042 -10.4417 -10.4417 -10.3829 -10.3829 -9.6118 -9.6118 -2.5929 -2.5929 -2.5908 -2.5908 0.5192 0.5192 0.5563 0.5563 1.0529 1.0529 2.4630 2.4630 2.4789 2.4789 2.8637 2.8637 3.2991 3.2991 4.5634 4.5634 4.5650 4.5650 4.5929 4.5929 4.8768 4.8768 5.2094 5.2094 5.2099 5.2099 5.4788 5.4788 5.9980 5.9980 6.0048 6.0048 10.0435 10.0435 10.0455 10.0455 13.2658 13.2658 13.4045 13.4045 13.9184 13.9184 14.4148 14.4148 k = 0.3333 0.5774 0.1533 ( 3765 PWs) bands (ev): -30.5791 -30.5791 -13.0470 -13.0470 -13.0167 -13.0167 -12.2179 -12.2179 -11.9034 -11.9034 -11.8045 -11.8045 -11.4034 -11.4034 -10.4204 -10.4204 -10.3594 -10.3594 -9.6093 -9.6093 -2.5978 -2.5978 -2.5956 -2.5956 0.5116 0.5116 0.5488 0.5488 1.0373 1.0373 2.4690 2.4690 2.4852 2.4852 2.8654 2.8654 3.3076 3.3076 4.5649 4.5649 4.5668 4.5668 4.6212 4.6212 4.8741 4.8741 5.2212 5.2212 5.2225 5.2225 5.4622 5.4622 6.0007 6.0007 6.0076 6.0076 10.0512 10.0512 10.0532 10.0532 13.2464 13.2464 13.3865 13.3865 13.9317 13.9317 14.3730 14.3730 k = 0.3333 0.5774 0.1687 ( 3753 PWs) bands (ev): -30.5791 -30.5791 -13.0302 -13.0302 -13.0015 -13.0015 -12.2274 -12.2274 -11.9330 -11.9330 -11.8396 -11.8396 -11.3986 -11.3986 -10.4004 -10.4004 -10.3373 -10.3373 -9.6087 -9.6087 -2.6024 -2.6024 -2.6000 -2.6000 0.5052 0.5052 0.5425 0.5425 1.0234 1.0234 2.4744 2.4744 2.4911 2.4911 2.8673 2.8673 3.3155 3.3155 4.5659 4.5659 4.5680 4.5680 4.6474 4.6474 4.8711 4.8711 5.2327 5.2327 5.2349 5.2349 5.4471 5.4471 6.0025 6.0025 6.0095 6.0095 10.0578 10.0578 10.0597 10.0597 13.2306 13.2306 13.3721 13.3721 13.9469 13.9469 14.3334 14.3334 k = 0.3333 0.5774 0.1840 ( 3753 PWs) bands (ev): -30.5791 -30.5791 -13.0127 -13.0127 -12.9857 -12.9857 -12.2395 -12.2395 -11.9620 -11.9620 -11.8739 -11.8739 -11.3900 -11.3900 -10.3819 -10.3819 -10.3168 -10.3168 -9.6099 -9.6099 -2.6065 -2.6065 -2.6041 -2.6041 0.5000 0.5000 0.5374 0.5374 1.0113 1.0113 2.4793 2.4793 2.4966 2.4966 2.8693 2.8693 3.3226 3.3226 4.5665 4.5665 4.5689 4.5689 4.6712 4.6712 4.8678 4.8678 5.2436 5.2436 5.2466 5.2466 5.4336 5.4336 6.0034 6.0034 6.0105 6.0105 10.0631 10.0631 10.0650 10.0650 13.2186 13.2186 13.3614 13.3614 13.9639 13.9639 14.2963 14.2963 k = 0.3333 0.5774 0.1993 ( 3759 PWs) bands (ev): -30.5791 -30.5791 -12.9946 -12.9946 -12.9694 -12.9694 -12.2538 -12.2538 -11.9903 -11.9903 -11.9074 -11.9074 -11.3778 -11.3778 -10.3648 -10.3648 -10.2980 -10.2980 -9.6130 -9.6130 -2.6102 -2.6102 -2.6077 -2.6077 0.4962 0.4962 0.5335 0.5335 1.0011 1.0011 2.4836 2.4836 2.5015 2.5015 2.8715 2.8715 3.3286 3.3286 4.5670 4.5670 4.5698 4.5698 4.6923 4.6923 4.8643 4.8643 5.2535 5.2535 5.2573 5.2573 5.4218 5.4218 6.0035 6.0035 6.0106 6.0106 10.0670 10.0670 10.0690 10.0690 13.2105 13.2105 13.3544 13.3544 13.9827 13.9827 14.2619 14.2619 k = 0.3333 0.5774 0.2146 ( 3762 PWs) bands (ev): -30.5791 -30.5791 -12.9758 -12.9758 -12.9528 -12.9528 -12.2700 -12.2700 -12.0177 -12.0177 -11.9397 -11.9397 -11.3623 -11.3623 -10.3492 -10.3492 -10.2810 -10.2810 -9.6179 -9.6179 -2.6135 -2.6135 -2.6108 -2.6108 0.4937 0.4937 0.5310 0.5310 0.9928 0.9928 2.4872 2.4872 2.5059 2.5059 2.8739 2.8739 3.3336 3.3336 4.5676 4.5676 4.5708 4.5708 4.7107 4.7107 4.8606 4.8606 5.2621 5.2621 5.2666 5.2666 5.4119 5.4119 6.0027 6.0027 6.0099 6.0099 10.0697 10.0697 10.0717 10.0717 13.2064 13.2064 13.3514 13.3514 14.0033 14.0033 14.2303 14.2303 k = 0.3333 0.5774 0.2300 ( 3768 PWs) bands (ev): -30.5791 -30.5791 -12.9566 -12.9566 -12.9360 -12.9360 -12.2877 -12.2877 -12.0441 -12.0441 -11.9709 -11.9709 -11.3439 -11.3439 -10.3353 -10.3353 -10.2656 -10.2656 -9.6247 -9.6247 -2.6162 -2.6162 -2.6135 -2.6135 0.4924 0.4924 0.5297 0.5297 0.9866 0.9866 2.4902 2.4902 2.5097 2.5097 2.8763 2.8763 3.3373 3.3373 4.5683 4.5683 4.5719 4.5719 4.7261 4.7261 4.8566 4.8566 5.2693 5.2693 5.2745 5.2745 5.4042 5.4042 6.0010 6.0010 6.0083 6.0083 10.0710 10.0710 10.0730 10.0730 13.2063 13.2063 13.3523 13.3523 14.0251 14.0251 14.2019 14.2019 k = 0.3333 0.5774 0.2453 ( 3759 PWs) bands (ev): -30.5790 -30.5790 -12.9372 -12.9372 -12.9193 -12.9193 -12.3065 -12.3065 -12.0694 -12.0694 -12.0005 -12.0005 -11.3228 -11.3228 -10.3231 -10.3231 -10.2521 -10.2521 -9.6333 -9.6333 -2.6184 -2.6184 -2.6156 -2.6156 0.4925 0.4925 0.5298 0.5298 0.9825 0.9825 2.4925 2.4925 2.5128 2.5128 2.8788 2.8788 3.3398 3.3398 4.5691 4.5691 4.5732 4.5732 4.7383 4.7383 4.8526 4.8526 5.2748 5.2748 5.2806 5.2806 5.3987 5.3987 5.9987 5.9987 6.0059 6.0059 10.0709 10.0709 10.0730 10.0730 13.2101 13.2101 13.3570 13.3570 14.0475 14.0475 14.1768 14.1768 k = 0.3333 0.5774 0.2606 ( 3759 PWs) bands (ev): -30.5790 -30.5790 -12.9177 -12.9177 -12.9027 -12.9027 -12.3261 -12.3261 -12.0935 -12.0935 -12.0284 -12.0284 -11.2993 -11.2993 -10.3125 -10.3125 -10.2405 -10.2405 -9.6438 -9.6438 -2.6200 -2.6200 -2.6172 -2.6172 0.4940 0.4940 0.5311 0.5311 0.9804 0.9804 2.4941 2.4941 2.5153 2.5153 2.8813 2.8813 3.3410 3.3410 4.5701 4.5701 4.5747 4.5747 4.7471 4.7471 4.8484 4.8484 5.2787 5.2787 5.2850 5.2850 5.3957 5.3957 5.9955 5.9955 6.0028 6.0028 10.0695 10.0695 10.0716 10.0716 13.2178 13.2178 13.3655 13.3655 14.0685 14.0685 14.1552 14.1552 k = 0.3333 0.5774 0.2760 ( 3783 PWs) bands (ev): -30.5790 -30.5790 -12.8984 -12.8984 -12.8867 -12.8867 -12.3460 -12.3460 -12.1162 -12.1162 -12.0543 -12.0543 -11.2736 -11.2736 -10.3038 -10.3038 -10.2308 -10.2308 -9.6560 -9.6560 -2.6210 -2.6210 -2.6182 -2.6182 0.4966 0.4966 0.5337 0.5337 0.9804 0.9804 2.4950 2.4950 2.5172 2.5172 2.8839 2.8839 3.3409 3.3409 4.5712 4.5712 4.5763 4.5763 4.7523 4.7523 4.8442 4.8442 5.2808 5.2808 5.2875 5.2875 5.3952 5.3952 5.9917 5.9917 5.9990 5.9990 10.0667 10.0667 10.0689 10.0689 13.2292 13.2292 13.3773 13.3773 14.0842 14.0842 14.1373 14.1373 k = 0.3333 0.5774 0.2913 ( 3789 PWs) bands (ev): -30.5790 -30.5790 -12.8797 -12.8797 -12.8714 -12.8714 -12.3657 -12.3657 -12.1375 -12.1375 -12.0778 -12.0778 -11.2461 -11.2461 -10.2968 -10.2968 -10.2230 -10.2230 -9.6701 -9.6701 -2.6214 -2.6214 -2.6187 -2.6187 0.5006 0.5006 0.5376 0.5376 0.9824 0.9824 2.4953 2.4953 2.5184 2.5184 2.8864 2.8864 3.3395 3.3395 4.5723 4.5723 4.5779 4.5779 4.7536 4.7536 4.8400 4.8400 5.2812 5.2812 5.2883 5.2883 5.3974 5.3974 5.9872 5.9872 5.9946 5.9946 10.0627 10.0627 10.0649 10.0649 13.2440 13.2440 13.3924 13.3924 14.0915 14.0915 14.1235 14.1235 k = 0.3333 0.5774 0.3066 ( 3789 PWs) bands (ev): -30.5790 -30.5790 -12.8620 -12.8620 -12.8572 -12.8572 -12.3848 -12.3848 -12.1571 -12.1571 -12.0987 -12.0987 -11.2169 -11.2169 -10.2915 -10.2915 -10.2170 -10.2170 -9.6858 -9.6858 -2.6212 -2.6212 -2.6186 -2.6186 0.5058 0.5058 0.5426 0.5426 0.9865 0.9865 2.4949 2.4949 2.5190 2.5190 2.8889 2.8889 3.3370 3.3370 4.5731 4.5731 4.5793 4.5793 4.7511 4.7511 4.8358 4.8358 5.2802 5.2802 5.2875 5.2875 5.4024 5.4024 5.9822 5.9822 5.9895 5.9895 10.0576 10.0576 10.0598 10.0598 13.2620 13.2620 13.4103 13.4103 14.0932 14.0932 14.1137 14.1137 k = 0.3333 0.5774 0.3220 ( 3789 PWs) bands (ev): -30.5790 -30.5790 -12.8457 -12.8457 -12.8445 -12.8445 -12.4026 -12.4026 -12.1750 -12.1750 -12.1164 -12.1164 -11.1863 -11.1863 -10.2881 -10.2881 -10.2131 -10.2131 -9.7033 -9.7033 -2.6204 -2.6204 -2.6179 -2.6179 0.5121 0.5121 0.5489 0.5489 0.9927 0.9927 2.4939 2.4939 2.5190 2.5190 2.8914 2.8914 3.3333 3.3333 4.5735 4.5735 4.5802 4.5802 4.7446 4.7446 4.8317 4.8317 5.2778 5.2778 5.2853 5.2853 5.4101 5.4101 5.9765 5.9765 5.9838 5.9838 10.0513 10.0513 10.0536 10.0536 13.2827 13.2827 13.4304 13.4304 14.0946 14.0946 14.1085 14.1085 k = 0.3333 0.5774 0.3373 ( 3801 PWs) bands (ev): -30.5790 -30.5790 -12.8337 -12.8337 -12.8315 -12.8315 -12.4187 -12.4187 -12.1909 -12.1909 -12.1308 -12.1308 -11.1544 -11.1544 -10.2864 -10.2864 -10.2110 -10.2110 -9.7224 -9.7224 -2.6190 -2.6190 -2.6166 -2.6166 0.5196 0.5196 0.5562 0.5562 1.0008 1.0008 2.4924 2.4924 2.5185 2.5185 2.8938 2.8938 3.3286 3.3286 4.5732 4.5732 4.5804 4.5804 4.7340 4.7340 4.8277 4.8277 5.2745 5.2745 5.2820 5.2820 5.4205 5.4205 5.9703 5.9703 5.9775 5.9775 10.0440 10.0440 10.0463 10.0463 13.3058 13.3058 13.4524 13.4524 14.0989 14.0989 14.1079 14.1079 k = 0.3333 0.5774 0.3526 ( 3810 PWs) bands (ev): -30.5790 -30.5790 -12.8250 -12.8250 -12.8201 -12.8201 -12.4323 -12.4323 -12.2046 -12.2046 -12.1413 -12.1413 -11.1214 -11.1214 -10.2866 -10.2866 -10.2109 -10.2109 -9.7431 -9.7431 -2.6171 -2.6171 -2.6148 -2.6148 0.5281 0.5281 0.5645 0.5645 1.0107 1.0107 2.4904 2.4904 2.5175 2.5175 2.8961 2.8961 3.3230 3.3230 4.5719 4.5719 4.5797 4.5797 4.7195 4.7195 4.8239 4.8239 5.2704 5.2704 5.2779 5.2779 5.4334 5.4334 5.9635 5.9635 5.9707 5.9707 10.0357 10.0357 10.0381 10.0381 13.3307 13.3307 13.4755 13.4755 14.1076 14.1076 14.1123 14.1123 k = 0.3333 0.5774 0.3680 ( 3807 PWs) bands (ev): -30.5790 -30.5790 -12.8189 -12.8189 -12.8122 -12.8122 -12.4432 -12.4432 -12.2157 -12.2157 -12.1477 -12.1477 -11.0875 -11.0875 -10.2885 -10.2885 -10.2126 -10.2126 -9.7653 -9.7653 -2.6146 -2.6146 -2.6124 -2.6124 0.5377 0.5377 0.5738 0.5738 1.0225 1.0225 2.4879 2.4879 2.5160 2.5160 2.8983 2.8983 3.3167 3.3167 4.5693 4.5693 4.5775 4.5775 4.7012 4.7012 4.8203 4.8203 5.2661 5.2661 5.2736 5.2736 5.4486 5.4486 5.9561 5.9561 5.9633 5.9633 10.0266 10.0266 10.0290 10.0290 13.3570 13.3570 13.4993 13.4993 14.1215 14.1215 14.1219 14.1219 k = 0.3333 0.5774 0.3833 ( 3801 PWs) bands (ev): -30.5790 -30.5790 -12.8156 -12.8156 -12.8082 -12.8082 -12.4509 -12.4509 -12.2239 -12.2239 -12.1497 -12.1497 -11.0528 -11.0528 -10.2921 -10.2921 -10.2163 -10.2163 -9.7890 -9.7890 -2.6115 -2.6115 -2.6096 -2.6096 0.5481 0.5481 0.5840 0.5840 1.0361 1.0361 2.4851 2.4851 2.5141 2.5141 2.9003 2.9003 3.3098 3.3098 4.5651 4.5651 4.5737 4.5737 4.6793 4.6793 4.8169 4.8169 5.2619 5.2619 5.2694 5.2694 5.4659 5.4659 5.9482 5.9482 5.9553 5.9553 10.0168 10.0168 10.0192 10.0192 13.3840 13.3840 13.5231 13.5231 14.1370 14.1370 14.1413 14.1413 k = 0.3333 0.5774 0.3986 ( 3795 PWs) bands (ev): -30.5790 -30.5790 -12.8152 -12.8152 -12.8084 -12.8084 -12.4558 -12.4558 -12.2286 -12.2286 -12.1471 -12.1471 -11.0174 -11.0174 -10.2974 -10.2974 -10.2218 -10.2218 -9.8141 -9.8141 -2.6080 -2.6080 -2.6062 -2.6062 0.5593 0.5593 0.5950 0.5950 1.0512 1.0512 2.4820 2.4820 2.5119 2.5119 2.9021 2.9021 3.3025 3.3025 4.5589 4.5589 4.5680 4.5680 4.6539 4.6539 4.8138 4.8138 5.2584 5.2584 5.2657 5.2657 5.4850 5.4850 5.9397 5.9397 5.9468 5.9468 10.0063 10.0063 10.0088 10.0088 13.4115 13.4115 13.5466 13.5466 14.1576 14.1576 14.1672 14.1672 k = 0.3333 0.5774 0.4140 ( 3771 PWs) bands (ev): -30.5789 -30.5789 -12.8176 -12.8176 -12.8129 -12.8129 -12.4581 -12.4581 -12.2293 -12.2293 -12.1400 -12.1400 -10.9815 -10.9815 -10.3044 -10.3044 -10.2291 -10.2291 -9.8405 -9.8405 -2.6040 -2.6040 -2.6025 -2.6025 0.5712 0.5712 0.6068 0.6068 1.0679 1.0679 2.4786 2.4786 2.5094 2.5094 2.9038 2.9038 3.2949 3.2949 4.5506 4.5506 4.5599 4.5599 4.6253 4.6253 4.8110 4.8110 5.2559 5.2559 5.2631 5.2631 5.5055 5.5055 5.9307 5.9307 5.9377 5.9377 9.9953 9.9953 9.9978 9.9978 13.4388 13.4388 13.5693 13.5693 14.1840 14.1840 14.1993 14.1993 k = 0.3333 0.5774 0.4293 ( 3774 PWs) bands (ev): -30.5789 -30.5789 -12.8229 -12.8229 -12.8212 -12.8212 -12.4589 -12.4589 -12.2257 -12.2257 -12.1286 -12.1286 -10.9453 -10.9453 -10.3130 -10.3130 -10.2383 -10.2383 -9.8681 -9.8681 -2.5997 -2.5997 -2.5983 -2.5983 0.5838 0.5838 0.6191 0.6191 1.0859 1.0859 2.4750 2.4750 2.5066 2.5066 2.9052 2.9052 3.2873 3.2873 4.5398 4.5398 4.5494 4.5494 4.5937 4.5937 4.8085 4.8085 5.2549 5.2549 5.2619 5.2619 5.5272 5.5272 5.9210 5.9210 5.9280 5.9280 9.9839 9.9839 9.9864 9.9864 13.4656 13.4656 13.5909 13.5909 14.2160 14.2160 14.2373 14.2373 k = 0.3333 0.5774 0.4446 ( 3780 PWs) bands (ev): -30.5789 -30.5789 -12.8326 -12.8326 -12.8306 -12.8306 -12.4589 -12.4589 -12.2174 -12.2174 -12.1130 -12.1130 -10.9089 -10.9089 -10.3232 -10.3232 -10.2492 -10.2492 -9.8969 -9.8969 -2.5949 -2.5949 -2.5938 -2.5938 0.5969 0.5969 0.6319 0.6319 1.1052 1.1052 2.4712 2.4712 2.5037 2.5037 2.9064 2.9064 3.2798 3.2798 4.5266 4.5266 4.5364 4.5364 4.5596 4.5596 4.8064 4.8064 5.2555 5.2555 5.2624 5.2624 5.5498 5.5498 5.9108 5.9108 5.9177 5.9177 9.9722 9.9722 9.9747 9.9747 13.4917 13.4917 13.6116 13.6116 14.2535 14.2535 14.2810 14.2810 k = 0.3333 0.5774 0.4600 ( 3780 PWs) bands (ev): -30.5789 -30.5789 -12.8466 -12.8466 -12.8406 -12.8406 -12.4588 -12.4588 -12.2044 -12.2044 -12.0937 -12.0937 -10.8724 -10.8724 -10.3348 -10.3348 -10.2618 -10.2618 -9.9266 -9.9266 -2.5898 -2.5898 -2.5890 -2.5890 0.6103 0.6103 0.6451 0.6451 1.1255 1.1255 2.4673 2.4673 2.5005 2.5005 2.9074 2.9074 3.2726 3.2726 4.5110 4.5110 4.5208 4.5208 4.5230 4.5230 4.8046 4.8046 5.2579 5.2579 5.2647 5.2647 5.5729 5.5729 5.9000 5.9000 5.9069 5.9069 9.9602 9.9602 9.9628 9.9628 13.5169 13.5169 13.6313 13.6313 14.2962 14.2962 14.3299 14.3299 k = 0.3333 0.5774 0.4753 ( 3780 PWs) bands (ev): -30.5789 -30.5789 -12.8625 -12.8625 -12.8524 -12.8524 -12.4591 -12.4591 -12.1868 -12.1868 -12.0710 -12.0710 -10.8360 -10.8360 -10.3479 -10.3479 -10.2760 -10.2760 -9.9572 -9.9572 -2.5845 -2.5845 -2.5839 -2.5839 0.6240 0.6240 0.6585 0.6585 1.1468 1.1468 2.4634 2.4634 2.4973 2.4973 2.9081 2.9081 3.2659 3.2659 4.4843 4.4843 4.4932 4.4932 4.5030 4.5030 4.8033 4.8033 5.2623 5.2623 5.2689 5.2689 5.5964 5.5964 5.8887 5.8887 5.8955 5.8955 9.9482 9.9482 9.9508 9.9508 13.5410 13.5410 13.6501 13.6501 14.3436 14.3436 14.3833 14.3833 Writing output data file CaxAsO3x2.save init_run : 2.37s CPU 13.45s WALL ( 1 calls) electrons : 1383.14s CPU 1394.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.26s CPU 1.47s WALL ( 1 calls) Called by electrons: c_bands : 1383.06s CPU 1394.20s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.89s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.10s CPU 0.57s WALL ( 1 calls) newd : 0.33s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.08s WALL ( 310 calls) cegterg : 1301.52s CPU 1309.06s WALL ( 1048 calls) Called by sum_band: Called by *egterg: h_psi : 416.89s CPU 428.39s WALL ( 19224 calls) s_psi : 40.06s CPU 40.76s WALL ( 19224 calls) g_psi : 1.11s CPU 1.08s WALL ( 17866 calls) cdiaghg : 638.02s CPU 634.31s WALL ( 18176 calls) cegterg:over : 115.62s CPU 111.82s WALL ( 17866 calls) cegterg:upda : 25.84s CPU 30.43s WALL ( 17866 calls) cegterg:last : 22.37s CPU 23.26s WALL ( 2818 calls) Called by h_psi: h_psi:vloc : 319.04s CPU 328.49s WALL ( 19224 calls) h_psi:vnl : 97.36s CPU 98.74s WALL ( 19224 calls) add_vuspsi : 29.71s CPU 34.81s WALL ( 19224 calls) General routines calbec : 67.56s CPU 63.74s WALL ( 19224 calls) fft : 0.31s CPU 1.27s WALL ( 19 calls) ffts : 0.00s CPU 0.02s WALL ( 4 calls) fftw : 303.41s CPU 309.18s WALL ( 2083056 calls) interpolate : 0.01s CPU 0.04s WALL ( 4 calls) davcio : 0.03s CPU 2.30s WALL ( 620 calls) Parallel routines fft_scatter : 223.93s CPU 224.05s WALL ( 2083079 calls) PWSCF : 24m15.25s CPU 26m 6.58s WALL This run was terminated on: 6:32:14 18Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=