Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:40:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CsFeO2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 78 77 21 2737 2684 390 Max 79 78 22 2739 2702 393 Sum 2815 2773 769 98549 96905 14067 bravais-lattice index = 14 lattice parameter (alat) = 11.2317 a.u. unit-cell volume = 1001.9065 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.231749 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for O read from file: /users/gautes/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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Fe 8.00 55.84500 Fe( 1.00) Cs 9.00 132.90550 Cs( 1.00) 12 Sym. Ops., with inversion, found (10 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.5000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.5000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 255 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 2) = ( 0.0131579 -0.0075967 0.0107434), wk = 0.0039216 k( 3) = ( 0.0263158 -0.0151934 0.0214868), wk = 0.0039216 k( 4) = ( 0.0394737 -0.0227901 0.0322301), wk = 0.0039216 k( 5) = ( 0.0526316 -0.0303869 0.0429735), wk = 0.0039216 k( 6) = ( 0.0657895 -0.0379836 0.0537169), wk = 0.0039216 k( 7) = ( 0.0789474 -0.0455803 0.0644603), wk = 0.0039216 k( 8) = ( 0.0921053 -0.0531770 0.0752036), wk = 0.0039216 k( 9) = ( 0.1052632 -0.0607737 0.0859470), wk = 0.0039216 k( 10) = ( 0.1184210 -0.0683704 0.0966904), wk = 0.0039216 k( 11) = ( 0.1315790 -0.0759671 0.1074338), wk = 0.0039216 k( 12) = ( 0.1447368 -0.0835639 0.1181771), wk = 0.0039216 k( 13) = ( 0.1578947 -0.0911606 0.1289205), wk = 0.0039216 k( 14) = ( 0.1710526 -0.0987573 0.1396639), wk = 0.0039216 k( 15) = ( 0.1842105 -0.1063540 0.1504073), wk = 0.0039216 k( 16) = ( 0.1973684 -0.1139507 0.1611506), wk = 0.0039216 k( 17) = ( 0.2105263 -0.1215474 0.1718940), wk = 0.0039216 k( 18) = ( 0.2236842 -0.1291441 0.1826374), wk = 0.0039216 k( 19) = ( 0.2368421 -0.1367409 0.1933808), wk = 0.0039216 k( 20) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0039216 k( 21) = ( 0.2631579 -0.1519343 0.2148675), wk = 0.0039216 k( 22) = ( 0.2763158 -0.1595310 0.2256109), wk = 0.0039216 k( 23) = ( 0.2894737 -0.1671277 0.2363543), wk = 0.0039216 k( 24) = ( 0.3026316 -0.1747244 0.2470977), wk = 0.0039216 k( 25) = ( 0.3157895 -0.1823211 0.2578410), wk = 0.0039216 k( 26) = ( 0.3289474 -0.1899179 0.2685844), wk = 0.0039216 k( 27) = ( 0.3421053 -0.1975146 0.2793278), wk = 0.0039216 k( 28) = ( 0.3552632 -0.2051113 0.2900712), wk = 0.0039216 k( 29) = ( 0.3684211 -0.2127080 0.3008145), wk = 0.0039216 k( 30) = ( 0.3815789 -0.2203047 0.3115579), wk = 0.0039216 k( 31) = ( 0.3947368 -0.2279014 0.3223013), wk = 0.0039216 k( 32) = ( 0.4078947 -0.2354981 0.3330447), wk = 0.0039216 k( 33) = ( 0.4210526 -0.2430948 0.3437880), wk = 0.0039216 k( 34) = ( 0.4342105 -0.2506916 0.3545314), wk = 0.0039216 k( 35) = ( 0.4473684 -0.2582883 0.3652748), wk = 0.0039216 k( 36) = ( 0.4605263 -0.2658850 0.3760182), wk = 0.0039216 k( 37) = ( 0.4736842 -0.2734817 0.3867615), wk = 0.0039216 k( 38) = ( 0.4868421 -0.2810784 0.3975049), wk = 0.0039216 k( 39) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0039216 k( 40) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0039216 k( 41) = ( 0.5000000 -0.2734817 0.4189917), wk = 0.0039216 k( 42) = ( 0.5000000 -0.2582883 0.4297350), wk = 0.0039216 k( 43) = ( 0.5000000 -0.2430949 0.4404784), wk = 0.0039216 k( 44) = ( 0.5000000 -0.2279014 0.4512218), wk = 0.0039216 k( 45) = ( 0.5000000 -0.2127080 0.4619652), wk = 0.0039216 k( 46) = ( 0.5000000 -0.1975146 0.4727085), wk = 0.0039216 k( 47) = ( 0.5000000 -0.1823211 0.4834519), wk = 0.0039216 k( 48) = ( 0.5000000 -0.1671277 0.4941953), wk = 0.0039216 k( 49) = ( 0.5000000 -0.1519343 0.5049387), wk = 0.0039216 k( 50) = ( 0.5000000 -0.1367409 0.5156821), wk = 0.0039216 k( 51) = ( 0.5000000 -0.1215474 0.5264254), wk = 0.0039216 k( 52) = ( 0.5000000 -0.1063540 0.5371688), wk = 0.0039216 k( 53) = ( 0.5000000 -0.0911606 0.5479122), wk = 0.0039216 k( 54) = ( 0.5000000 -0.0759671 0.5586556), wk = 0.0039216 k( 55) = ( 0.5000000 -0.0607737 0.5693989), wk = 0.0039216 k( 56) = ( 0.5000000 -0.0455803 0.5801423), wk = 0.0039216 k( 57) = ( 0.5000000 -0.0303869 0.5908857), wk = 0.0039216 k( 58) = ( 0.5000000 -0.0151934 0.6016291), wk = 0.0039216 k( 59) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0039216 k( 60) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0039216 k( 61) = ( 0.4910714 0.0154647 0.6123724), wk = 0.0039216 k( 62) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0039216 k( 63) = ( 0.4732143 0.0463942 0.6123724), wk = 0.0039216 k( 64) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0039216 k( 65) = ( 0.4553571 0.0773237 0.6123724), wk = 0.0039216 k( 66) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0039216 k( 67) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0039216 k( 68) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0039216 k( 69) = ( 0.4196429 0.1391826 0.6123724), wk = 0.0039216 k( 70) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0039216 k( 71) = ( 0.4017857 0.1701121 0.6123724), wk = 0.0039216 k( 72) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0039216 k( 73) = ( 0.3839286 0.2010416 0.6123724), wk = 0.0039216 k( 74) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0039216 k( 75) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0039216 k( 76) = ( 0.3656250 0.2110937 0.5970631), wk = 0.0039216 k( 77) = ( 0.3562500 0.2056810 0.5817538), wk = 0.0039216 k( 78) = ( 0.3468750 0.2002684 0.5664445), wk = 0.0039216 k( 79) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0039216 k( 80) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0039216 k( 81) = ( 0.3187500 0.1840304 0.5205166), wk = 0.0039216 k( 82) = ( 0.3093750 0.1786177 0.5052073), wk = 0.0039216 k( 83) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0039216 k( 84) = ( 0.2906250 0.1677924 0.4745886), wk = 0.0039216 k( 85) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0039216 k( 86) = ( 0.2718750 0.1569671 0.4439700), wk = 0.0039216 k( 87) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0039216 k( 88) = ( 0.2531250 0.1461418 0.4133514), wk = 0.0039216 k( 89) = ( 0.2437500 0.1407291 0.3980421), wk = 0.0039216 k( 90) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0039216 k( 91) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0039216 k( 92) = ( 0.2156250 0.1244912 0.3521142), wk = 0.0039216 k( 93) = ( 0.2062500 0.1190785 0.3368048), wk = 0.0039216 k( 94) = ( 0.1968750 0.1136658 0.3214955), wk = 0.0039216 k( 95) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0039216 k( 96) = ( 0.1781250 0.1028405 0.2908769), wk = 0.0039216 k( 97) = ( 0.1687500 0.0974279 0.2755676), wk = 0.0039216 k( 98) = ( 0.1593750 0.0920152 0.2602583), wk = 0.0039216 k( 99) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0039216 k( 100) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0039216 k( 101) = ( 0.1312500 0.0757772 0.2143304), wk = 0.0039216 k( 102) = ( 0.1218750 0.0703646 0.1990210), wk = 0.0039216 k( 103) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0039216 k( 104) = ( 0.1031250 0.0595392 0.1684024), wk = 0.0039216 k( 105) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0039216 k( 106) = ( 0.0843750 0.0487139 0.1377838), wk = 0.0039216 k( 107) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0039216 k( 108) = ( 0.0656250 0.0378886 0.1071652), wk = 0.0039216 k( 109) = ( 0.0562500 0.0324760 0.0918559), wk = 0.0039216 k( 110) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0039216 k( 111) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0039216 k( 112) = ( 0.0281250 0.0162380 0.0459279), wk = 0.0039216 k( 113) = ( 0.0187500 0.0108253 0.0306186), wk = 0.0039216 k( 114) = ( 0.0093750 0.0054127 0.0153093), wk = 0.0039216 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 117) = ( 0.0151515 0.0087477 0.0061856), wk = 0.0039216 k( 118) = ( 0.0303030 0.0174955 0.0123712), wk = 0.0039216 k( 119) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0039216 k( 120) = ( 0.0606061 0.0349909 0.0247423), wk = 0.0039216 k( 121) = ( 0.0757576 0.0437387 0.0309279), wk = 0.0039216 k( 122) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0039216 k( 123) = ( 0.1060606 0.0612341 0.0432991), wk = 0.0039216 k( 124) = ( 0.1212121 0.0699819 0.0494846), wk = 0.0039216 k( 125) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0039216 k( 126) = ( 0.1515151 0.0874773 0.0618558), wk = 0.0039216 k( 127) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0039216 k( 128) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0039216 k( 129) = ( 0.1969697 0.1137205 0.0804125), wk = 0.0039216 k( 130) = ( 0.2121212 0.1224682 0.0865981), wk = 0.0039216 k( 131) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0039216 k( 132) = ( 0.2424242 0.1399637 0.0989693), wk = 0.0039216 k( 133) = ( 0.2575758 0.1487114 0.1051549), wk = 0.0039216 k( 134) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0039216 k( 135) = ( 0.2878788 0.1662069 0.1175260), wk = 0.0039216 k( 136) = ( 0.3030303 0.1749546 0.1237116), wk = 0.0039216 k( 137) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0039216 k( 138) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0039216 k( 139) = ( 0.3484849 0.2011978 0.1422683), wk = 0.0039216 k( 140) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0039216 k( 141) = ( 0.3787879 0.2186933 0.1546395), wk = 0.0039216 k( 142) = ( 0.3939394 0.2274410 0.1608251), wk = 0.0039216 k( 143) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0039216 k( 144) = ( 0.4242424 0.2449365 0.1731962), wk = 0.0039216 k( 145) = ( 0.4393939 0.2536842 0.1793818), wk = 0.0039216 k( 146) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0039216 k( 147) = ( 0.4696970 0.2711797 0.1917530), wk = 0.0039216 k( 148) = ( 0.4848485 0.2799274 0.1979386), wk = 0.0039216 k( 149) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0039216 k( 150) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0039216 k( 151) = ( 0.5054348 0.2729863 0.2129991), wk = 0.0039216 k( 152) = ( 0.5108696 0.2572974 0.2218741), wk = 0.0039216 k( 153) = ( 0.5163043 0.2416085 0.2307490), wk = 0.0039216 k( 154) = ( 0.5217391 0.2259197 0.2396240), wk = 0.0039216 k( 155) = ( 0.5271739 0.2102308 0.2484990), wk = 0.0039216 k( 156) = ( 0.5326087 0.1945419 0.2573739), wk = 0.0039216 k( 157) = ( 0.5380435 0.1788531 0.2662489), wk = 0.0039216 k( 158) = ( 0.5434783 0.1631642 0.2751238), wk = 0.0039216 k( 159) = ( 0.5489130 0.1474753 0.2839988), wk = 0.0039216 k( 160) = ( 0.5543478 0.1317865 0.2928738), wk = 0.0039216 k( 161) = ( 0.5597826 0.1160976 0.3017487), wk = 0.0039216 k( 162) = ( 0.5652174 0.1004087 0.3106237), wk = 0.0039216 k( 163) = ( 0.5706522 0.0847199 0.3194987), wk = 0.0039216 k( 164) = ( 0.5760870 0.0690310 0.3283736), wk = 0.0039216 k( 165) = ( 0.5815217 0.0533421 0.3372486), wk = 0.0039216 k( 166) = ( 0.5869565 0.0376533 0.3461235), wk = 0.0039216 k( 167) = ( 0.5923913 0.0219644 0.3549985), wk = 0.0039216 k( 168) = ( 0.5978261 0.0062755 0.3638735), wk = 0.0039216 k( 169) = ( 0.6032609 -0.0094133 0.3727484), wk = 0.0039216 k( 170) = ( 0.6086957 -0.0251022 0.3816234), wk = 0.0039216 k( 171) = ( 0.6141304 -0.0407910 0.3904984), wk = 0.0039216 k( 172) = ( 0.6195652 -0.0564799 0.3993733), wk = 0.0039216 k( 173) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0039216 k( 174) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0039216 k( 175) = ( 0.6160714 -0.0670139 0.4228286), wk = 0.0039216 k( 176) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0039216 k( 177) = ( 0.5982143 -0.0567040 0.4519892), wk = 0.0039216 k( 178) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0039216 k( 179) = ( 0.5803571 -0.0463942 0.4811498), wk = 0.0039216 k( 180) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0039216 k( 181) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0039216 k( 182) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0039216 k( 183) = ( 0.5446429 -0.0257746 0.5394710), wk = 0.0039216 k( 184) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0039216 k( 185) = ( 0.5267857 -0.0154647 0.5686316), wk = 0.0039216 k( 186) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0039216 k( 187) = ( 0.5089286 -0.0051549 0.5977921), wk = 0.0039216 k( 188) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0039216 k( 189) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0039216 k( 190) = ( 0.5000000 0.0106917 0.5972521), wk = 0.0039216 k( 191) = ( 0.5000000 0.0213833 0.5821318), wk = 0.0039216 k( 192) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0039216 k( 193) = ( 0.5000000 0.0427667 0.5518912), wk = 0.0039216 k( 194) = ( 0.5000000 0.0534584 0.5367709), wk = 0.0039216 k( 195) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0039216 k( 196) = ( 0.5000000 0.0748417 0.5065303), wk = 0.0039216 k( 197) = ( 0.5000000 0.0855334 0.4914100), wk = 0.0039216 k( 198) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0039216 k( 199) = ( 0.5000000 0.1069167 0.4611694), wk = 0.0039216 k( 200) = ( 0.5000000 0.1176084 0.4460491), wk = 0.0039216 k( 201) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0039216 k( 202) = ( 0.5000000 0.1389917 0.4158084), wk = 0.0039216 k( 203) = ( 0.5000000 0.1496834 0.4006881), wk = 0.0039216 k( 204) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0039216 k( 205) = ( 0.5000000 0.1710667 0.3704475), wk = 0.0039216 k( 206) = ( 0.5000000 0.1817584 0.3553272), wk = 0.0039216 k( 207) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0039216 k( 208) = ( 0.5000000 0.2031418 0.3250866), wk = 0.0039216 k( 209) = ( 0.5000000 0.2138334 0.3099663), wk = 0.0039216 k( 210) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0039216 k( 211) = ( 0.5000000 0.2352168 0.2797257), wk = 0.0039216 k( 212) = ( 0.5000000 0.2459084 0.2646054), wk = 0.0039216 k( 213) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0039216 k( 214) = ( 0.5000000 0.2672918 0.2343648), wk = 0.0039216 k( 215) = ( 0.5000000 0.2779835 0.2192445), wk = 0.0039216 k( 216) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0039216 k( 217) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0039216 k( 218) = ( 0.4945652 0.2855374 0.2218741), wk = 0.0039216 k( 219) = ( 0.4891304 0.2823996 0.2396240), wk = 0.0039216 k( 220) = ( 0.4836956 0.2792618 0.2573739), wk = 0.0039216 k( 221) = ( 0.4782609 0.2761240 0.2751238), wk = 0.0039216 k( 222) = ( 0.4728261 0.2729863 0.2928738), wk = 0.0039216 k( 223) = ( 0.4673913 0.2698485 0.3106237), wk = 0.0039216 k( 224) = ( 0.4619565 0.2667107 0.3283736), wk = 0.0039216 k( 225) = ( 0.4565217 0.2635729 0.3461235), wk = 0.0039216 k( 226) = ( 0.4510870 0.2604352 0.3638735), wk = 0.0039216 k( 227) = ( 0.4456522 0.2572974 0.3816234), wk = 0.0039216 k( 228) = ( 0.4402174 0.2541596 0.3993733), wk = 0.0039216 k( 229) = ( 0.4347826 0.2510219 0.4171232), wk = 0.0039216 k( 230) = ( 0.4293478 0.2478841 0.4348732), wk = 0.0039216 k( 231) = ( 0.4239130 0.2447463 0.4526231), wk = 0.0039216 k( 232) = ( 0.4184783 0.2416085 0.4703730), wk = 0.0039216 k( 233) = ( 0.4130435 0.2384708 0.4881230), wk = 0.0039216 k( 234) = ( 0.4076087 0.2353330 0.5058729), wk = 0.0039216 k( 235) = ( 0.4021739 0.2321952 0.5236228), wk = 0.0039216 k( 236) = ( 0.3967391 0.2290574 0.5413727), wk = 0.0039216 k( 237) = ( 0.3913044 0.2259197 0.5591227), wk = 0.0039216 k( 238) = ( 0.3858696 0.2227819 0.5768726), wk = 0.0039216 k( 239) = ( 0.3804348 0.2196441 0.5946225), wk = 0.0039216 k( 240) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0039216 k( 241) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0039216 k( 242) = ( 0.6160714 -0.0876335 0.4082483), wk = 0.0039216 k( 243) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0039216 k( 244) = ( 0.5982143 -0.1185630 0.4082483), wk = 0.0039216 k( 245) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0039216 k( 246) = ( 0.5803571 -0.1494925 0.4082483), wk = 0.0039216 k( 247) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0039216 k( 248) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0039216 k( 249) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0039216 k( 250) = ( 0.5446429 -0.2113514 0.4082483), wk = 0.0039216 k( 251) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0039216 k( 252) = ( 0.5267857 -0.2422809 0.4082483), wk = 0.0039216 k( 253) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0039216 k( 254) = ( 0.5089286 -0.2732104 0.4082483), wk = 0.0039216 k( 255) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0039216 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 2) = ( 0.0131579 -0.0000000 0.0131579), wk = 0.0039216 k( 3) = ( 0.0263158 0.0000000 0.0263158), wk = 0.0039216 k( 4) = ( 0.0394737 -0.0000000 0.0394737), wk = 0.0039216 k( 5) = ( 0.0526316 0.0000000 0.0526316), wk = 0.0039216 k( 6) = ( 0.0657895 0.0000000 0.0657895), wk = 0.0039216 k( 7) = ( 0.0789474 -0.0000000 0.0789474), wk = 0.0039216 k( 8) = ( 0.0921053 -0.0000000 0.0921053), wk = 0.0039216 k( 9) = ( 0.1052632 0.0000000 0.1052632), wk = 0.0039216 k( 10) = ( 0.1184210 -0.0000000 0.1184211), wk = 0.0039216 k( 11) = ( 0.1315790 0.0000000 0.1315790), wk = 0.0039216 k( 12) = ( 0.1447368 -0.0000000 0.1447368), wk = 0.0039216 k( 13) = ( 0.1578947 -0.0000000 0.1578947), wk = 0.0039216 k( 14) = ( 0.1710526 -0.0000000 0.1710526), wk = 0.0039216 k( 15) = ( 0.1842105 -0.0000000 0.1842105), wk = 0.0039216 k( 16) = ( 0.1973684 0.0000000 0.1973684), wk = 0.0039216 k( 17) = ( 0.2105263 0.0000000 0.2105263), wk = 0.0039216 k( 18) = ( 0.2236842 -0.0000000 0.2236842), wk = 0.0039216 k( 19) = ( 0.2368421 -0.0000000 0.2368421), wk = 0.0039216 k( 20) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0039216 k( 21) = ( 0.2631579 0.0000000 0.2631579), wk = 0.0039216 k( 22) = ( 0.2763158 0.0000000 0.2763158), wk = 0.0039216 k( 23) = ( 0.2894737 -0.0000000 0.2894737), wk = 0.0039216 k( 24) = ( 0.3026316 -0.0000000 0.3026316), wk = 0.0039216 k( 25) = ( 0.3157895 0.0000000 0.3157895), wk = 0.0039216 k( 26) = ( 0.3289474 -0.0000000 0.3289474), wk = 0.0039216 k( 27) = ( 0.3421053 -0.0000000 0.3421053), wk = 0.0039216 k( 28) = ( 0.3552632 -0.0000000 0.3552632), wk = 0.0039216 k( 29) = ( 0.3684211 -0.0000000 0.3684211), wk = 0.0039216 k( 30) = ( 0.3815789 0.0000000 0.3815789), wk = 0.0039216 k( 31) = ( 0.3947368 0.0000000 0.3947368), wk = 0.0039216 k( 32) = ( 0.4078947 0.0000000 0.4078947), wk = 0.0039216 k( 33) = ( 0.4210526 -0.0000000 0.4210526), wk = 0.0039216 k( 34) = ( 0.4342105 -0.0000000 0.4342105), wk = 0.0039216 k( 35) = ( 0.4473684 -0.0000000 0.4473684), wk = 0.0039216 k( 36) = ( 0.4605263 -0.0000000 0.4605263), wk = 0.0039216 k( 37) = ( 0.4736842 0.0000000 0.4736842), wk = 0.0039216 k( 38) = ( 0.4868421 -0.0000000 0.4868421), wk = 0.0039216 k( 39) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039216 k( 40) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039216 k( 41) = ( 0.5000000 0.0131579 0.5131579), wk = 0.0039216 k( 42) = ( 0.5000000 0.0263158 0.5263158), wk = 0.0039216 k( 43) = ( 0.5000000 0.0394737 0.5394737), wk = 0.0039216 k( 44) = ( 0.5000000 0.0526316 0.5526316), wk = 0.0039216 k( 45) = ( 0.5000000 0.0657895 0.5657895), wk = 0.0039216 k( 46) = ( 0.5000000 0.0789474 0.5789474), wk = 0.0039216 k( 47) = ( 0.5000000 0.0921053 0.5921053), wk = 0.0039216 k( 48) = ( 0.5000000 0.1052632 0.6052632), wk = 0.0039216 k( 49) = ( 0.5000000 0.1184210 0.6184211), wk = 0.0039216 k( 50) = ( 0.5000000 0.1315790 0.6315789), wk = 0.0039216 k( 51) = ( 0.5000000 0.1447368 0.6447368), wk = 0.0039216 k( 52) = ( 0.5000000 0.1578947 0.6578947), wk = 0.0039216 k( 53) = ( 0.5000000 0.1710526 0.6710526), wk = 0.0039216 k( 54) = ( 0.5000000 0.1842105 0.6842105), wk = 0.0039216 k( 55) = ( 0.5000000 0.1973684 0.6973684), wk = 0.0039216 k( 56) = ( 0.5000000 0.2105263 0.7105263), wk = 0.0039216 k( 57) = ( 0.5000000 0.2236842 0.7236842), wk = 0.0039216 k( 58) = ( 0.5000000 0.2368421 0.7368421), wk = 0.0039216 k( 59) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0039216 k( 60) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0039216 k( 61) = ( 0.4910714 0.2589286 0.7500000), wk = 0.0039216 k( 62) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0039216 k( 63) = ( 0.4732143 0.2767857 0.7500000), wk = 0.0039216 k( 64) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0039216 k( 65) = ( 0.4553571 0.2946429 0.7500000), wk = 0.0039216 k( 66) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0039216 k( 67) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0039216 k( 68) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0039216 k( 69) = ( 0.4196429 0.3303571 0.7500000), wk = 0.0039216 k( 70) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0039216 k( 71) = ( 0.4017857 0.3482143 0.7500000), wk = 0.0039216 k( 72) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0039216 k( 73) = ( 0.3839286 0.3660714 0.7500000), wk = 0.0039216 k( 74) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0039216 k( 75) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0039216 k( 76) = ( 0.3656250 0.3656250 0.7312500), wk = 0.0039216 k( 77) = ( 0.3562500 0.3562500 0.7125000), wk = 0.0039216 k( 78) = ( 0.3468750 0.3468750 0.6937500), wk = 0.0039216 k( 79) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0039216 k( 80) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0039216 k( 81) = ( 0.3187500 0.3187500 0.6375000), wk = 0.0039216 k( 82) = ( 0.3093750 0.3093750 0.6187500), wk = 0.0039216 k( 83) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0039216 k( 84) = ( 0.2906250 0.2906250 0.5812500), wk = 0.0039216 k( 85) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0039216 k( 86) = ( 0.2718750 0.2718750 0.5437500), wk = 0.0039216 k( 87) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0039216 k( 88) = ( 0.2531250 0.2531250 0.5062500), wk = 0.0039216 k( 89) = ( 0.2437500 0.2437500 0.4875000), wk = 0.0039216 k( 90) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0039216 k( 91) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0039216 k( 92) = ( 0.2156250 0.2156250 0.4312500), wk = 0.0039216 k( 93) = ( 0.2062500 0.2062500 0.4125000), wk = 0.0039216 k( 94) = ( 0.1968750 0.1968750 0.3937500), wk = 0.0039216 k( 95) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0039216 k( 96) = ( 0.1781250 0.1781250 0.3562500), wk = 0.0039216 k( 97) = ( 0.1687500 0.1687500 0.3375000), wk = 0.0039216 k( 98) = ( 0.1593750 0.1593750 0.3187500), wk = 0.0039216 k( 99) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0039216 k( 100) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0039216 k( 101) = ( 0.1312500 0.1312500 0.2625000), wk = 0.0039216 k( 102) = ( 0.1218750 0.1218750 0.2437500), wk = 0.0039216 k( 103) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0039216 k( 104) = ( 0.1031250 0.1031250 0.2062500), wk = 0.0039216 k( 105) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0039216 k( 106) = ( 0.0843750 0.0843750 0.1687500), wk = 0.0039216 k( 107) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0039216 k( 108) = ( 0.0656250 0.0656250 0.1312500), wk = 0.0039216 k( 109) = ( 0.0562500 0.0562500 0.1125000), wk = 0.0039216 k( 110) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0039216 k( 111) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0039216 k( 112) = ( 0.0281250 0.0281250 0.0562500), wk = 0.0039216 k( 113) = ( 0.0187500 0.0187500 0.0375000), wk = 0.0039216 k( 114) = ( 0.0093750 0.0093750 0.0187500), wk = 0.0039216 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 117) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0039216 k( 118) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0039216 k( 119) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0039216 k( 120) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0039216 k( 121) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0039216 k( 122) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0039216 k( 123) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0039216 k( 124) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0039216 k( 125) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0039216 k( 126) = ( 0.1515151 0.1515152 0.1515151), wk = 0.0039216 k( 127) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039216 k( 128) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0039216 k( 129) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0039216 k( 130) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0039216 k( 131) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0039216 k( 132) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0039216 k( 133) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0039216 k( 134) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0039216 k( 135) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0039216 k( 136) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0039216 k( 137) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0039216 k( 138) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039216 k( 139) = ( 0.3484849 0.3484849 0.3484849), wk = 0.0039216 k( 140) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0039216 k( 141) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0039216 k( 142) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0039216 k( 143) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0039216 k( 144) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0039216 k( 145) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0039216 k( 146) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0039216 k( 147) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0039216 k( 148) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0039216 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039216 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039216 k( 151) = ( 0.5054348 0.4891304 0.5054348), wk = 0.0039216 k( 152) = ( 0.5108696 0.4782609 0.5108696), wk = 0.0039216 k( 153) = ( 0.5163043 0.4673913 0.5163043), wk = 0.0039216 k( 154) = ( 0.5217391 0.4565217 0.5217391), wk = 0.0039216 k( 155) = ( 0.5271739 0.4456522 0.5271739), wk = 0.0039216 k( 156) = ( 0.5326087 0.4347826 0.5326087), wk = 0.0039216 k( 157) = ( 0.5380435 0.4239130 0.5380435), wk = 0.0039216 k( 158) = ( 0.5434783 0.4130435 0.5434783), wk = 0.0039216 k( 159) = ( 0.5489130 0.4021739 0.5489130), wk = 0.0039216 k( 160) = ( 0.5543478 0.3913044 0.5543478), wk = 0.0039216 k( 161) = ( 0.5597826 0.3804348 0.5597826), wk = 0.0039216 k( 162) = ( 0.5652174 0.3695652 0.5652174), wk = 0.0039216 k( 163) = ( 0.5706522 0.3586957 0.5706522), wk = 0.0039216 k( 164) = ( 0.5760870 0.3478261 0.5760870), wk = 0.0039216 k( 165) = ( 0.5815217 0.3369565 0.5815217), wk = 0.0039216 k( 166) = ( 0.5869565 0.3260870 0.5869565), wk = 0.0039216 k( 167) = ( 0.5923913 0.3152174 0.5923913), wk = 0.0039216 k( 168) = ( 0.5978261 0.3043478 0.5978261), wk = 0.0039216 k( 169) = ( 0.6032609 0.2934783 0.6032609), wk = 0.0039216 k( 170) = ( 0.6086957 0.2826087 0.6086957), wk = 0.0039216 k( 171) = ( 0.6141304 0.2717391 0.6141304), wk = 0.0039216 k( 172) = ( 0.6195652 0.2608696 0.6195652), wk = 0.0039216 k( 173) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0039216 k( 174) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0039216 k( 175) = ( 0.6160714 0.2500000 0.6339286), wk = 0.0039216 k( 176) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0039216 k( 177) = ( 0.5982143 0.2500000 0.6517857), wk = 0.0039216 k( 178) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0039216 k( 179) = ( 0.5803571 0.2500000 0.6696429), wk = 0.0039216 k( 180) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0039216 k( 181) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0039216 k( 182) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0039216 k( 183) = ( 0.5446429 0.2500000 0.7053571), wk = 0.0039216 k( 184) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0039216 k( 185) = ( 0.5267857 0.2500000 0.7232143), wk = 0.0039216 k( 186) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0039216 k( 187) = ( 0.5089286 0.2500000 0.7410714), wk = 0.0039216 k( 188) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0039216 k( 189) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0039216 k( 190) = ( 0.5000000 0.2592593 0.7407407), wk = 0.0039216 k( 191) = ( 0.5000000 0.2685185 0.7314815), wk = 0.0039216 k( 192) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0039216 k( 193) = ( 0.5000000 0.2870370 0.7129630), wk = 0.0039216 k( 194) = ( 0.5000000 0.2962963 0.7037037), wk = 0.0039216 k( 195) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0039216 k( 196) = ( 0.5000000 0.3148148 0.6851852), wk = 0.0039216 k( 197) = ( 0.5000000 0.3240741 0.6759259), wk = 0.0039216 k( 198) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0039216 k( 199) = ( 0.5000000 0.3425926 0.6574074), wk = 0.0039216 k( 200) = ( 0.5000000 0.3518519 0.6481482), wk = 0.0039216 k( 201) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0039216 k( 202) = ( 0.5000000 0.3703704 0.6296296), wk = 0.0039216 k( 203) = ( 0.5000000 0.3796296 0.6203704), wk = 0.0039216 k( 204) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0039216 k( 205) = ( 0.5000000 0.3981482 0.6018518), wk = 0.0039216 k( 206) = ( 0.5000000 0.4074074 0.5925926), wk = 0.0039216 k( 207) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0039216 k( 208) = ( 0.5000000 0.4259259 0.5740741), wk = 0.0039216 k( 209) = ( 0.5000000 0.4351852 0.5648148), wk = 0.0039216 k( 210) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0039216 k( 211) = ( 0.5000000 0.4537037 0.5462963), wk = 0.0039216 k( 212) = ( 0.5000000 0.4629630 0.5370370), wk = 0.0039216 k( 213) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0039216 k( 214) = ( 0.5000000 0.4814815 0.5185185), wk = 0.0039216 k( 215) = ( 0.5000000 0.4907407 0.5092593), wk = 0.0039216 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039216 k( 217) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039216 k( 218) = ( 0.4945652 0.4945652 0.5108696), wk = 0.0039216 k( 219) = ( 0.4891304 0.4891304 0.5217391), wk = 0.0039216 k( 220) = ( 0.4836956 0.4836956 0.5326087), wk = 0.0039216 k( 221) = ( 0.4782609 0.4782609 0.5434783), wk = 0.0039216 k( 222) = ( 0.4728261 0.4728261 0.5543478), wk = 0.0039216 k( 223) = ( 0.4673913 0.4673913 0.5652174), wk = 0.0039216 k( 224) = ( 0.4619565 0.4619565 0.5760870), wk = 0.0039216 k( 225) = ( 0.4565217 0.4565217 0.5869565), wk = 0.0039216 k( 226) = ( 0.4510870 0.4510870 0.5978261), wk = 0.0039216 k( 227) = ( 0.4456522 0.4456522 0.6086957), wk = 0.0039216 k( 228) = ( 0.4402174 0.4402174 0.6195652), wk = 0.0039216 k( 229) = ( 0.4347826 0.4347826 0.6304348), wk = 0.0039216 k( 230) = ( 0.4293478 0.4293478 0.6413043), wk = 0.0039216 k( 231) = ( 0.4239130 0.4239130 0.6521739), wk = 0.0039216 k( 232) = ( 0.4184783 0.4184783 0.6630435), wk = 0.0039216 k( 233) = ( 0.4130435 0.4130435 0.6739130), wk = 0.0039216 k( 234) = ( 0.4076087 0.4076087 0.6847826), wk = 0.0039216 k( 235) = ( 0.4021739 0.4021739 0.6956522), wk = 0.0039216 k( 236) = ( 0.3967391 0.3967391 0.7065217), wk = 0.0039216 k( 237) = ( 0.3913044 0.3913044 0.7173913), wk = 0.0039216 k( 238) = ( 0.3858696 0.3858696 0.7282609), wk = 0.0039216 k( 239) = ( 0.3804348 0.3804348 0.7391304), wk = 0.0039216 k( 240) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0039216 k( 241) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0039216 k( 242) = ( 0.6160714 0.2321429 0.6160714), wk = 0.0039216 k( 243) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0039216 k( 244) = ( 0.5982143 0.1964286 0.5982143), wk = 0.0039216 k( 245) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0039216 k( 246) = ( 0.5803571 0.1607143 0.5803571), wk = 0.0039216 k( 247) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0039216 k( 248) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0039216 k( 249) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0039216 k( 250) = ( 0.5446429 0.0892857 0.5446429), wk = 0.0039216 k( 251) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0039216 k( 252) = ( 0.5267857 0.0535714 0.5267857), wk = 0.0039216 k( 253) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0039216 k( 254) = ( 0.5089286 0.0178571 0.5089286), wk = 0.0039216 k( 255) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039216 Dense grid: 98549 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 96905 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.73 Mb ( 684, 70) NL pseudopotentials 1.29 Mb ( 342, 248) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2738) G-vector shells 0.00 Mb ( 623) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.92 Mb ( 684, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.53 Mb ( 248, 2, 70) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CsFeO2.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.2 secs Computing kpt #: 3 total cpu time spent up to now is 6.7 secs Computing kpt #: 4 total cpu time spent up to now is 8.1 secs Computing kpt #: 5 total cpu time spent up to now is 9.6 secs Computing kpt #: 6 total cpu time spent up to now is 11.0 secs Computing kpt #: 7 total cpu time spent up to now is 12.5 secs Computing kpt #: 8 total cpu time spent up to now is 14.0 secs Computing kpt #: 9 total cpu time spent up to now is 15.4 secs Computing kpt #: 10 total cpu time spent up to now is 16.9 secs Computing kpt #: 11 total cpu time spent up to now is 18.4 secs Computing kpt #: 12 total cpu time spent up to now is 20.0 secs Computing kpt #: 13 total cpu time spent up to now is 21.5 secs Computing kpt #: 14 total cpu time spent up to now is 23.0 secs Computing kpt #: 15 total cpu time spent up to now is 24.6 secs Computing kpt #: 16 total cpu time spent up to now is 26.2 secs Computing kpt #: 17 total cpu time spent up to now is 28.5 secs Computing kpt #: 18 total cpu time spent up to now is 30.9 secs Computing kpt #: 19 total cpu time spent up to now is 33.2 secs Computing kpt #: 20 total cpu time spent up to now is 35.5 secs Computing kpt #: 21 total cpu time spent up to now is 37.7 secs Computing kpt #: 22 total cpu time spent up to now is 39.9 secs Computing kpt #: 23 total cpu time spent up to now is 42.2 secs Computing kpt #: 24 total cpu time spent up to now is 44.4 secs Computing kpt #: 25 total cpu time spent up to now is 46.6 secs Computing kpt #: 26 total cpu time spent up to now is 48.8 secs Computing kpt #: 27 total cpu time spent up to now is 51.0 secs Computing kpt #: 28 total cpu time spent up to now is 52.9 secs Computing kpt #: 29 total cpu time spent up to now is 54.8 secs Computing kpt #: 30 total cpu time spent up to now is 57.1 secs Computing kpt #: 31 total cpu time spent up to now is 59.1 secs Computing kpt #: 32 total cpu time spent up to now is 61.1 secs Computing kpt #: 33 total cpu time spent up to now is 63.3 secs Computing kpt #: 34 total cpu time spent up to now is 65.5 secs Computing kpt #: 35 total cpu time spent up to now is 67.9 secs Computing kpt #: 36 total cpu time spent up to now is 70.2 secs Computing kpt #: 37 total cpu time spent up to now is 72.6 secs Computing kpt #: 38 total cpu time spent up to now is 75.0 secs Computing kpt #: 39 total cpu time spent up to now is 76.9 secs Computing kpt #: 40 total cpu time spent up to now is 78.8 secs Computing kpt #: 41 total cpu time spent up to now is 81.0 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.8 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 88.6 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.5 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.4 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.1 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 104.0 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 107.9 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 111.8 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 115.6 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 119.7 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.7 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.5 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.3 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 135.0 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 138.9 secs Computing kpt #: 57 total cpu time spent up to now is 142.6 secs Computing kpt #: 58 total cpu time spent up to now is 144.9 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.6 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.3 secs Computing kpt #: 61 total cpu time spent up to now is 155.3 secs Computing kpt #: 62 total cpu time spent up to now is 158.2 secs Computing kpt #: 63 total cpu time spent up to now is 160.9 secs Computing kpt #: 64 total cpu time spent up to now is 163.3 secs Computing kpt #: 65 total cpu time spent up to now is 166.0 secs Computing kpt #: 66 total cpu time spent up to now is 168.3 secs Computing kpt #: 67 total cpu time spent up to now is 170.6 secs Computing kpt #: 68 total cpu time spent up to now is 172.9 secs Computing kpt #: 69 total cpu time spent up to now is 175.2 secs Computing kpt #: 70 total cpu time spent up to now is 177.5 secs Computing kpt #: 71 total cpu time spent up to now is 179.7 secs Computing kpt #: 72 total cpu time spent up to now is 182.1 secs Computing kpt #: 73 total cpu time spent up to now is 184.1 secs Computing kpt #: 74 total cpu time spent up to now is 186.1 secs Computing kpt #: 75 total cpu time spent up to now is 188.3 secs Computing kpt #: 76 total cpu time spent up to now is 190.6 secs Computing kpt #: 77 total cpu time spent up to now is 192.9 secs Computing kpt #: 78 total cpu time spent up to now is 194.8 secs Computing kpt #: 79 total cpu time spent up to now is 197.0 secs Computing kpt #: 80 total cpu time spent up to now is 199.0 secs Computing kpt #: 81 total cpu time spent up to now is 201.2 secs Computing kpt #: 82 total cpu time spent up to now is 203.5 secs Computing kpt #: 83 total cpu time spent up to now is 205.7 secs Computing kpt #: 84 total cpu time spent up to now is 208.1 secs Computing kpt #: 85 total cpu time spent up to now is 210.4 secs Computing kpt #: 86 total cpu time spent up to now is 213.0 secs Computing kpt #: 87 total cpu time spent up to now is 215.5 secs Computing kpt #: 88 total cpu time spent up to now is 218.6 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 222.3 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.2 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 230.0 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 233.9 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 237.7 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 241.6 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.4 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.3 secs Computing kpt #: 97 total cpu time spent up to now is 252.0 secs Computing kpt #: 98 total cpu time spent up to now is 253.9 secs Computing kpt #: 99 total cpu time spent up to now is 255.6 secs Computing kpt #: 100 total cpu time spent up to now is 257.3 secs Computing kpt #: 101 total cpu time spent up to now is 259.1 secs Computing kpt #: 102 total cpu time spent up to now is 260.6 secs Computing kpt #: 103 total cpu time spent up to now is 262.1 secs Computing kpt #: 104 total cpu time spent up to now is 263.6 secs Computing kpt #: 105 total cpu time spent up to now is 265.1 secs Computing kpt #: 106 total cpu time spent up to now is 266.5 secs Computing kpt #: 107 total cpu time spent up to now is 268.0 secs Computing kpt #: 108 total cpu time spent up to now is 269.5 secs Computing kpt #: 109 total cpu time spent up to now is 271.0 secs Computing kpt #: 110 total cpu time spent up to now is 272.5 secs Computing kpt #: 111 total cpu time spent up to now is 273.9 secs Computing kpt #: 112 total cpu time spent up to now is 275.4 secs Computing kpt #: 113 total cpu time spent up to now is 276.8 secs Computing kpt #: 114 total cpu time spent up to now is 278.2 secs Computing kpt #: 115 total cpu time spent up to now is 279.6 secs Computing kpt #: 116 total cpu time spent up to now is 281.1 secs Computing kpt #: 117 total cpu time spent up to now is 282.5 secs Computing kpt #: 118 total cpu time spent up to now is 283.9 secs Computing kpt #: 119 total cpu time spent up to now is 285.4 secs Computing kpt #: 120 total cpu time spent up to now is 286.8 secs Computing kpt #: 121 total cpu time spent up to now is 288.3 secs Computing kpt #: 122 total cpu time spent up to now is 289.8 secs Computing kpt #: 123 total cpu time spent up to now is 291.2 secs Computing kpt #: 124 total cpu time spent up to now is 292.7 secs Computing kpt #: 125 total cpu time spent up to now is 294.2 secs Computing kpt #: 126 total cpu time spent up to now is 295.7 secs Computing kpt #: 127 total cpu time spent up to now is 297.2 secs Computing kpt #: 128 total cpu time spent up to now is 298.7 secs Computing kpt #: 129 total cpu time spent up to now is 300.2 secs Computing kpt #: 130 total cpu time spent up to now is 301.8 secs Computing kpt #: 131 total cpu time spent up to now is 303.5 secs Computing kpt #: 132 total cpu time spent up to now is 305.2 secs Computing kpt #: 133 total cpu time spent up to now is 307.0 secs Computing kpt #: 134 total cpu time spent up to now is 309.0 secs Computing kpt #: 135 total cpu time spent up to now is 311.2 secs Computing kpt #: 136 total cpu time spent up to now is 313.5 secs Computing kpt #: 137 total cpu time spent up to now is 315.9 secs Computing kpt #: 138 total cpu time spent up to now is 318.5 secs Computing kpt #: 139 total cpu time spent up to now is 320.9 secs Computing kpt #: 140 total cpu time spent up to now is 323.4 secs Computing kpt #: 141 total cpu time spent up to now is 325.7 secs Computing kpt #: 142 total cpu time spent up to now is 328.1 secs Computing kpt #: 143 total cpu time spent up to now is 330.4 secs Computing kpt #: 144 total cpu time spent up to now is 332.7 secs Computing kpt #: 145 total cpu time spent up to now is 334.9 secs Computing kpt #: 146 total cpu time spent up to now is 337.2 secs Computing kpt #: 147 total cpu time spent up to now is 339.4 secs Computing kpt #: 148 total cpu time spent up to now is 341.9 secs Computing kpt #: 149 total cpu time spent up to now is 344.3 secs Computing kpt #: 150 total cpu time spent up to now is 346.7 secs Computing kpt #: 151 total cpu time spent up to now is 349.2 secs Computing kpt #: 152 total cpu time spent up to now is 351.8 secs Computing kpt #: 153 total cpu time spent up to now is 354.2 secs Computing kpt #: 154 total cpu time spent up to now is 356.9 secs Computing kpt #: 155 total cpu time spent up to now is 359.6 secs Computing kpt #: 156 total cpu time spent up to now is 362.3 secs Computing kpt #: 157 total cpu time spent up to now is 365.0 secs Computing kpt #: 158 total cpu time spent up to now is 367.4 secs Computing kpt #: 159 total cpu time spent up to now is 369.9 secs Computing kpt #: 160 total cpu time spent up to now is 372.6 secs Computing kpt #: 161 total cpu time spent up to now is 375.0 secs Computing kpt #: 162 total cpu time spent up to now is 377.5 secs Computing kpt #: 163 total cpu time spent up to now is 379.8 secs Computing kpt #: 164 total cpu time spent up to now is 382.1 secs Computing kpt #: 165 total cpu time spent up to now is 384.5 secs Computing kpt #: 166 total cpu time spent up to now is 386.8 secs Computing kpt #: 167 total cpu time spent up to now is 389.1 secs Computing kpt #: 168 total cpu time spent up to now is 391.5 secs Computing kpt #: 169 total cpu time spent up to now is 393.8 secs Computing kpt #: 170 total cpu time spent up to now is 396.1 secs Computing kpt #: 171 total cpu time spent up to now is 398.4 secs Computing kpt #: 172 total cpu time spent up to now is 400.8 secs Computing kpt #: 173 total cpu time spent up to now is 403.1 secs Computing kpt #: 174 total cpu time spent up to now is 405.4 secs Computing kpt #: 175 total cpu time spent up to now is 407.6 secs Computing kpt #: 176 total cpu time spent up to now is 409.8 secs Computing kpt #: 177 total cpu time spent up to now is 412.1 secs Computing kpt #: 178 total cpu time spent up to now is 414.3 secs Computing kpt #: 179 total cpu time spent up to now is 416.8 secs Computing kpt #: 180 total cpu time spent up to now is 419.3 secs Computing kpt #: 181 total cpu time spent up to now is 422.3 secs Computing kpt #: 182 total cpu time spent up to now is 424.6 secs Computing kpt #: 183 total cpu time spent up to now is 426.9 secs Computing kpt #: 184 total cpu time spent up to now is 429.6 secs Computing kpt #: 185 total cpu time spent up to now is 432.5 secs Computing kpt #: 186 total cpu time spent up to now is 435.3 secs Computing kpt #: 187 total cpu time spent up to now is 438.5 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 442.2 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 445.9 secs Computing kpt #: 190 total cpu time spent up to now is 448.1 secs Computing kpt #: 191 total cpu time spent up to now is 451.0 secs Computing kpt #: 192 total cpu time spent up to now is 453.7 secs Computing kpt #: 193 total cpu time spent up to now is 456.5 secs Computing kpt #: 194 total cpu time spent up to now is 459.2 secs Computing kpt #: 195 total cpu time spent up to now is 462.0 secs Computing kpt #: 196 total cpu time spent up to now is 464.6 secs Computing kpt #: 197 total cpu time spent up to now is 467.3 secs Computing kpt #: 198 total cpu time spent up to now is 469.7 secs Computing kpt #: 199 total cpu time spent up to now is 472.1 secs Computing kpt #: 200 total cpu time spent up to now is 474.5 secs Computing kpt #: 201 total cpu time spent up to now is 477.3 secs Computing kpt #: 202 total cpu time spent up to now is 480.0 secs Computing kpt #: 203 total cpu time spent up to now is 482.7 secs Computing kpt #: 204 total cpu time spent up to now is 485.1 secs Computing kpt #: 205 total cpu time spent up to now is 487.8 secs Computing kpt #: 206 total cpu time spent up to now is 490.3 secs Computing kpt #: 207 total cpu time spent up to now is 492.8 secs Computing kpt #: 208 total cpu time spent up to now is 495.2 secs Computing kpt #: 209 total cpu time spent up to now is 497.7 secs Computing kpt #: 210 total cpu time spent up to now is 500.2 secs Computing kpt #: 211 total cpu time spent up to now is 502.9 secs Computing kpt #: 212 total cpu time spent up to now is 505.4 secs Computing kpt #: 213 total cpu time spent up to now is 508.1 secs Computing kpt #: 214 total cpu time spent up to now is 510.8 secs Computing kpt #: 215 total cpu time spent up to now is 513.4 secs Computing kpt #: 216 total cpu time spent up to now is 515.8 secs Computing kpt #: 217 total cpu time spent up to now is 518.3 secs Computing kpt #: 218 total cpu time spent up to now is 520.7 secs Computing kpt #: 219 total cpu time spent up to now is 523.1 secs Computing kpt #: 220 total cpu time spent up to now is 525.6 secs Computing kpt #: 221 total cpu time spent up to now is 528.0 secs Computing kpt #: 222 total cpu time spent up to now is 530.7 secs Computing kpt #: 223 total cpu time spent up to now is 533.4 secs Computing kpt #: 224 total cpu time spent up to now is 536.1 secs Computing kpt #: 225 total cpu time spent up to now is 538.5 secs Computing kpt #: 226 total cpu time spent up to now is 541.0 secs Computing kpt #: 227 total cpu time spent up to now is 543.7 secs Computing kpt #: 228 total cpu time spent up to now is 546.1 secs Computing kpt #: 229 total cpu time spent up to now is 548.6 secs Computing kpt #: 230 total cpu time spent up to now is 551.0 secs Computing kpt #: 231 total cpu time spent up to now is 553.4 secs Computing kpt #: 232 total cpu time spent up to now is 555.7 secs Computing kpt #: 233 total cpu time spent up to now is 558.1 secs Computing kpt #: 234 total cpu time spent up to now is 560.4 secs Computing kpt #: 235 total cpu time spent up to now is 562.7 secs Computing kpt #: 236 total cpu time spent up to now is 564.9 secs Computing kpt #: 237 total cpu time spent up to now is 567.2 secs Computing kpt #: 238 total cpu time spent up to now is 569.6 secs Computing kpt #: 239 total cpu time spent up to now is 571.9 secs Computing kpt #: 240 total cpu time spent up to now is 574.1 secs Computing kpt #: 241 total cpu time spent up to now is 576.3 secs Computing kpt #: 242 total cpu time spent up to now is 578.5 secs Computing kpt #: 243 total cpu time spent up to now is 580.4 secs Computing kpt #: 244 total cpu time spent up to now is 582.5 secs Computing kpt #: 245 total cpu time spent up to now is 584.4 secs Computing kpt #: 246 total cpu time spent up to now is 586.6 secs Computing kpt #: 247 total cpu time spent up to now is 588.9 secs Computing kpt #: 248 total cpu time spent up to now is 590.9 secs Computing kpt #: 249 total cpu time spent up to now is 593.2 secs Computing kpt #: 250 total cpu time spent up to now is 595.5 secs Computing kpt #: 251 total cpu time spent up to now is 598.6 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 602.3 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 606.2 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 609.9 secs Computing kpt #: 255 total cpu time spent up to now is 612.2 secs ethr = 1.72E-08, avg # of iterations = 54.2 total cpu time spent up to now is 612.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12039 PWs) bands (ev): -13.7588 -13.7588 -13.1414 -13.1414 -10.9108 -10.9108 -10.3891 -10.3891 -10.3744 -10.3744 -10.3744 -10.3744 -2.6629 -2.6629 -1.9044 -1.9044 -1.2989 -1.2989 -1.2989 -1.2989 -0.4847 -0.4847 -0.4847 -0.4847 1.3835 1.3835 2.2699 2.2699 2.2782 2.2782 2.2782 2.2782 2.7374 2.7374 2.7374 2.7374 3.6128 3.6128 3.8051 3.8051 3.8052 3.8052 5.3636 5.3636 5.3811 5.3811 5.3812 5.3812 6.8012 6.8012 6.8012 6.8012 7.2491 7.2491 7.2491 7.2491 7.3159 7.3159 8.7843 8.7843 8.7843 8.7843 10.2540 10.2540 10.2541 10.2541 10.2625 10.2625 10.2881 10.2881 k = 0.0132-0.0076 0.0107 ( 12043 PWs) bands (ev): -13.7585 -13.7585 -13.1417 -13.1417 -10.9107 -10.9107 -10.3892 -10.3892 -10.3746 -10.3746 -10.3744 -10.3744 -2.6629 -2.6629 -1.9056 -1.9056 -1.2993 -1.2993 -1.2978 -1.2978 -0.4840 -0.4840 -0.4840 -0.4840 1.3840 1.3840 2.2698 2.2698 2.2779 2.2779 2.2782 2.2782 2.7382 2.7382 2.7386 2.7386 3.6125 3.6125 3.8037 3.8037 3.8052 3.8052 5.3617 5.3617 5.3789 5.3789 5.3798 5.3798 6.8019 6.8019 6.8039 6.8039 7.2500 7.2500 7.2508 7.2508 7.3172 7.3172 8.7840 8.7840 8.7843 8.7843 10.2404 10.2404 10.2526 10.2526 10.2717 10.2717 10.2933 10.2933 k = 0.0263-0.0152 0.0215 ( 12043 PWs) bands (ev): -13.7576 -13.7576 -13.1425 -13.1425 -10.9103 -10.9103 -10.3895 -10.3895 -10.3751 -10.3751 -10.3744 -10.3744 -2.6629 -2.6629 -1.9092 -1.9092 -1.3004 -1.3004 -1.2946 -1.2946 -0.4818 -0.4818 -0.4818 -0.4818 1.3853 1.3853 2.2694 2.2694 2.2772 2.2772 2.2782 2.2782 2.7403 2.7403 2.7421 2.7421 3.6114 3.6114 3.7996 3.7996 3.8054 3.8054 5.3557 5.3557 5.3724 5.3724 5.3757 5.3757 6.8039 6.8039 6.8116 6.8116 7.2526 7.2526 7.2560 7.2560 7.3211 7.3211 8.7829 8.7829 8.7842 8.7842 10.2234 10.2234 10.2481 10.2481 10.2719 10.2719 10.3125 10.3125 k = 0.0395-0.0228 0.0322 ( 12043 PWs) bands (ev): -13.7562 -13.7562 -13.1438 -13.1438 -10.9097 -10.9097 -10.3900 -10.3900 -10.3759 -10.3759 -10.3745 -10.3745 -2.6629 -2.6629 -1.9151 -1.9151 -1.3022 -1.3022 -1.2894 -1.2894 -0.4782 -0.4782 -0.4781 -0.4781 1.3875 1.3875 2.2685 2.2685 2.2762 2.2762 2.2782 2.2782 2.7440 2.7440 2.7479 2.7479 3.6095 3.6095 3.7930 3.7930 3.8056 3.8056 5.3445 5.3445 5.3630 5.3630 5.3689 5.3689 6.8073 6.8073 6.8244 6.8244 7.2569 7.2569 7.2645 7.2645 7.3279 7.3279 8.7811 8.7811 8.7841 8.7841 10.2065 10.2065 10.2407 10.2407 10.2657 10.2657 10.3395 10.3395 k = 0.0526-0.0304 0.0430 ( 12051 PWs) bands (ev): -13.7542 -13.7542 -13.1457 -13.1457 -10.9089 -10.9089 -10.3908 -10.3908 -10.3770 -10.3770 -10.3746 -10.3746 -2.6629 -2.6629 -1.9232 -1.9232 -1.3046 -1.3046 -1.2823 -1.2823 -0.4732 -0.4732 -0.4730 -0.4730 1.3906 1.3906 2.2668 2.2668 2.2753 2.2753 2.2783 2.2783 2.7490 2.7490 2.7559 2.7559 3.6064 3.6064 3.7844 3.7844 3.8060 3.8060 5.3274 5.3274 5.3519 5.3519 5.3596 5.3596 6.8120 6.8120 6.8417 6.8417 7.2624 7.2624 7.2764 7.2764 7.3376 7.3376 8.7786 8.7786 8.7840 8.7840 10.1895 10.1895 10.2305 10.2305 10.2560 10.2560 10.3718 10.3718 k = 0.0658-0.0380 0.0537 ( 12071 PWs) bands (ev): -13.7517 -13.7517 -13.1480 -13.1480 -10.9079 -10.9079 -10.3920 -10.3920 -10.3782 -10.3782 -10.3747 -10.3747 -2.6628 -2.6628 -1.9332 -1.9332 -1.3075 -1.3075 -1.2736 -1.2736 -0.4668 -0.4668 -0.4667 -0.4667 1.3946 1.3946 2.2642 2.2642 2.2746 2.2746 2.2783 2.2783 2.7555 2.7555 2.7660 2.7660 3.6017 3.6017 3.7743 3.7743 3.8065 3.8065 5.3046 5.3046 5.3392 5.3392 5.3478 5.3478 6.8179 6.8179 6.8634 6.8634 7.2689 7.2689 7.2914 7.2914 7.3504 7.3504 8.7754 8.7754 8.7838 8.7838 10.1717 10.1717 10.2176 10.2176 10.2435 10.2435 10.4092 10.4092 k = 0.0789-0.0456 0.0645 ( 12095 PWs) bands (ev): -13.7486 -13.7486 -13.1509 -13.1509 -10.9066 -10.9066 -10.3938 -10.3938 -10.3794 -10.3794 -10.3749 -10.3749 -2.6626 -2.6626 -1.9449 -1.9449 -1.3109 -1.3109 -1.2633 -1.2633 -0.4593 -0.4593 -0.4591 -0.4591 1.3994 1.3994 2.2605 2.2605 2.2742 2.2742 2.2784 2.2784 2.7635 2.7635 2.7782 2.7782 3.5949 3.5949 3.7636 3.7636 3.8072 3.8072 5.2770 5.2770 5.3248 5.3248 5.3338 5.3338 6.8250 6.8250 6.8889 6.8889 7.2761 7.2761 7.3093 7.3093 7.3663 7.3663 8.7715 8.7715 8.7837 8.7837 10.1530 10.1530 10.2022 10.2022 10.2284 10.2284 10.4518 10.4518 k = 0.0921-0.0532 0.0752 ( 12083 PWs) bands (ev): -13.7449 -13.7449 -13.1544 -13.1544 -10.9050 -10.9050 -10.3962 -10.3962 -10.3805 -10.3805 -10.3751 -10.3751 -2.6624 -2.6624 -1.9582 -1.9582 -1.3147 -1.3147 -1.2519 -1.2519 -0.4506 -0.4506 -0.4505 -0.4505 1.4051 1.4051 2.2560 2.2560 2.2741 2.2741 2.2785 2.2785 2.7729 2.7729 2.7922 2.7922 3.5854 3.5854 3.7532 3.7532 3.8081 3.8081 5.2453 5.2453 5.3087 5.3087 5.3178 5.3178 6.8333 6.8333 6.9178 6.9178 7.2840 7.2840 7.3302 7.3302 7.3852 7.3852 8.7668 8.7668 8.7836 8.7836 10.1329 10.1329 10.1844 10.1844 10.2109 10.2109 10.4997 10.4997 k = 0.1053-0.0608 0.0859 ( 12071 PWs) bands (ev): -13.7408 -13.7408 -13.1583 -13.1583 -10.9032 -10.9032 -10.3993 -10.3993 -10.3815 -10.3815 -10.3753 -10.3753 -2.6621 -2.6621 -1.9728 -1.9728 -1.3187 -1.3187 -1.2394 -1.2394 -0.4409 -0.4409 -0.4408 -0.4408 1.4116 1.4116 2.2506 2.2506 2.2740 2.2740 2.2786 2.2786 2.7837 2.7837 2.8079 2.8079 3.5725 3.5725 3.7440 3.7440 3.8092 3.8092 5.2100 5.2100 5.2909 5.2909 5.2999 5.2999 6.8426 6.8426 6.9495 6.9495 7.2925 7.2925 7.3536 7.3536 7.4071 7.4071 8.7613 8.7613 8.7835 8.7835 10.1113 10.1113 10.1644 10.1644 10.1913 10.1913 10.5528 10.5528 k = 0.1184-0.0684 0.0967 ( 12071 PWs) bands (ev): -13.7361 -13.7361 -13.1627 -13.1627 -10.9011 -10.9011 -10.4031 -10.4031 -10.3822 -10.3822 -10.3755 -10.3755 -2.6616 -2.6616 -1.9885 -1.9885 -1.3227 -1.3227 -1.2262 -1.2262 -0.4303 -0.4303 -0.4302 -0.4302 1.4189 1.4189 2.2445 2.2445 2.2741 2.2741 2.2787 2.2787 2.7960 2.7960 2.8252 2.8252 3.5559 3.5559 3.7368 3.7368 3.8105 3.8105 5.1716 5.1716 5.2715 5.2715 5.2803 5.2803 6.8530 6.8530 6.9838 6.9838 7.3014 7.3014 7.3795 7.3795 7.4316 7.4316 8.7551 8.7551 8.7836 8.7836 10.0882 10.0882 10.1425 10.1425 10.1696 10.1696 10.6110 10.6110 k = 0.1316-0.0760 0.1074 ( 12079 PWs) bands (ev): -13.7308 -13.7308 -13.1676 -13.1676 -10.8988 -10.8988 -10.4076 -10.4076 -10.3828 -10.3828 -10.3757 -10.3757 -2.6609 -2.6609 -2.0051 -2.0051 -1.3268 -1.3268 -1.2124 -1.2124 -0.4191 -0.4191 -0.4188 -0.4188 1.4270 1.4270 2.2378 2.2378 2.2742 2.2742 2.2788 2.2788 2.8096 2.8096 2.8438 2.8438 3.5356 3.5356 3.7320 3.7320 3.8121 3.8121 5.1305 5.1305 5.2508 5.2508 5.2593 5.2593 6.8643 6.8643 7.0200 7.0200 7.3110 7.3110 7.4076 7.4076 7.4586 7.4586 8.7482 8.7482 8.7839 8.7839 10.0635 10.0635 10.1187 10.1187 10.1461 10.1461 10.6742 10.6742 k = 0.1447-0.0836 0.1182 ( 12083 PWs) bands (ev): -13.7251 -13.7251 -13.1730 -13.1730 -10.8961 -10.8961 -10.4128 -10.4128 -10.3833 -10.3833 -10.3760 -10.3760 -2.6600 -2.6600 -2.0224 -2.0224 -1.3307 -1.3307 -1.1982 -1.1982 -0.4073 -0.4073 -0.4068 -0.4068 1.4359 1.4359 2.2305 2.2305 2.2744 2.2744 2.2790 2.2790 2.8247 2.8247 2.8636 2.8636 3.5119 3.5119 3.7295 3.7295 3.8140 3.8140 5.0871 5.0871 5.2288 5.2288 5.2370 5.2370 6.8765 6.8765 7.0579 7.0579 7.3211 7.3211 7.4377 7.4377 7.4877 7.4877 8.7404 8.7404 8.7843 8.7843 10.0371 10.0371 10.0932 10.0932 10.1209 10.1209 10.7420 10.7420 k = 0.1579-0.0912 0.1289 ( 12083 PWs) bands (ev): -13.7189 -13.7189 -13.1788 -13.1788 -10.8932 -10.8932 -10.4185 -10.4185 -10.3836 -10.3836 -10.3763 -10.3763 -2.6589 -2.6589 -2.0403 -2.0403 -1.3343 -1.3343 -1.1839 -1.1839 -0.3950 -0.3950 -0.3943 -0.3943 1.4456 1.4456 2.2225 2.2225 2.2746 2.2746 2.2791 2.2791 2.8412 2.8412 2.8842 2.8842 3.4856 3.4856 3.7292 3.7292 3.8163 3.8163 5.0417 5.0417 5.2059 5.2059 5.2137 5.2137 6.8896 6.8896 7.0971 7.0971 7.3319 7.3319 7.4696 7.4696 7.5187 7.5187 8.7319 8.7319 8.7849 8.7849 10.0091 10.0091 10.0663 10.0663 10.0942 10.0942 10.8142 10.8142 k = 0.1711-0.0988 0.1397 ( 12083 PWs) bands (ev): -13.7122 -13.7122 -13.1851 -13.1851 -10.8899 -10.8899 -10.4248 -10.4248 -10.3840 -10.3840 -10.3766 -10.3766 -2.6575 -2.6575 -2.0586 -2.0586 -1.3376 -1.3376 -1.1696 -1.1696 -0.3824 -0.3824 -0.3815 -0.3815 1.4560 1.4560 2.2141 2.2141 2.2748 2.2748 2.2792 2.2792 2.8590 2.8590 2.9055 2.9055 3.4571 3.4571 3.7307 3.7307 3.8189 3.8189 4.9946 4.9946 5.1822 5.1822 5.1896 5.1896 6.9035 6.9035 7.1370 7.1370 7.3433 7.3433 7.5031 7.5031 7.5515 7.5515 8.7226 8.7226 8.7859 8.7859 9.9796 9.9796 10.0380 10.0380 10.0662 10.0662 10.8905 10.8905 k = 0.1842-0.1064 0.1504 ( 12087 PWs) bands (ev): -13.7050 -13.7050 -13.1918 -13.1918 -10.8864 -10.8864 -10.4316 -10.4316 -10.3842 -10.3842 -10.3769 -10.3769 -2.6558 -2.6558 -2.0772 -2.0772 -1.3403 -1.3403 -1.1555 -1.1555 -0.3696 -0.3696 -0.3685 -0.3685 1.4671 1.4671 2.2052 2.2052 2.2750 2.2750 2.2794 2.2794 2.8782 2.8782 2.9272 2.9272 3.4273 3.4273 3.7338 3.7338 3.8219 3.8219 4.9462 4.9462 5.1579 5.1579 5.1649 5.1649 6.9181 6.9181 7.1772 7.1772 7.3557 7.3557 7.5380 7.5380 7.5857 7.5857 8.7124 8.7124 8.7871 8.7871 9.9487 9.9487 10.0086 10.0086 10.0369 10.0369 10.9704 10.9704 k = 0.1974-0.1140 0.1612 ( 12095 PWs) bands (ev): -13.6974 -13.6974 -13.1989 -13.1989 -10.8825 -10.8825 -10.4390 -10.4390 -10.3845 -10.3845 -10.3773 -10.3773 -2.6537 -2.6537 -2.0961 -2.0961 -1.3425 -1.3425 -1.1418 -1.1418 -0.3568 -0.3568 -0.3555 -0.3555 1.4790 1.4790 2.1958 2.1958 2.2753 2.2753 2.2795 2.2795 2.8988 2.8988 2.9491 2.9491 3.3967 3.3967 3.7383 3.7383 3.8253 3.8253 4.8965 4.8965 5.1331 5.1331 5.1396 5.1396 6.9334 6.9334 7.2171 7.2171 7.3692 7.3692 7.5742 7.5742 7.6211 7.6211 8.7014 8.7014 8.7888 8.7888 9.9164 9.9164 9.9782 9.9782 10.0067 10.0067 11.0537 11.0537 k = 0.2105-0.1215 0.1719 ( 12087 PWs) bands (ev): -13.6894 -13.6894 -13.2065 -13.2065 -10.8782 -10.8782 -10.4468 -10.4468 -10.3847 -10.3847 -10.3776 -10.3776 -2.6513 -2.6513 -2.1150 -2.1150 -1.3439 -1.3439 -1.1285 -1.1285 -0.3439 -0.3439 -0.3425 -0.3425 1.4915 1.4915 2.1860 2.1860 2.2755 2.2755 2.2796 2.2796 2.9207 2.9207 2.9709 2.9709 3.3659 3.3659 3.7440 3.7440 3.8292 3.8292 4.8458 4.8458 5.1079 5.1079 5.1141 5.1141 6.9493 6.9493 7.2559 7.2559 7.3846 7.3846 7.6113 7.6113 7.6576 7.6576 8.6896 8.6896 8.7909 8.7909 9.8829 9.8829 9.9470 9.9470 9.9755 9.9755 11.0509 11.0509 k = 0.2237-0.1291 0.1826 ( 12091 PWs) bands (ev): -13.6809 -13.6809 -13.2144 -13.2144 -10.8737 -10.8737 -10.4551 -10.4551 -10.3849 -10.3849 -10.3780 -10.3780 -2.6484 -2.6484 -2.1340 -2.1340 -1.3445 -1.3445 -1.1159 -1.1159 -0.3312 -0.3312 -0.3298 -0.3298 1.5046 1.5046 2.1759 2.1759 2.2758 2.2758 2.2798 2.2798 2.9440 2.9440 2.9924 2.9924 3.3353 3.3353 3.7506 3.7506 3.8336 3.8336 4.7943 4.7943 5.0827 5.0827 5.0883 5.0883 6.9658 6.9658 7.2920 7.2920 7.4029 7.4029 7.6493 7.6493 7.6949 7.6949 8.6769 8.6769 8.7935 8.7935 9.8483 9.8483 9.9150 9.9150 9.9435 9.9435 10.9970 10.9970 k = 0.2368-0.1367 0.1934 ( 12091 PWs) bands (ev): -13.6721 -13.6721 -13.2227 -13.2227 -10.8687 -10.8687 -10.4639 -10.4639 -10.3851 -10.3851 -10.3784 -10.3784 -2.6452 -2.6452 -2.1530 -2.1530 -1.3443 -1.3443 -1.1041 -1.1041 -0.3187 -0.3187 -0.3174 -0.3174 1.5184 1.5184 2.1653 2.1653 2.2761 2.2761 2.2799 2.2799 2.9686 2.9686 3.0133 3.0133 3.3053 3.3053 3.7583 3.7583 3.8384 3.8384 4.7422 4.7422 5.0574 5.0574 5.0626 5.0626 6.9829 6.9829 7.3237 7.3237 7.4256 7.4256 7.6880 7.6880 7.7329 7.7329 8.6633 8.6633 8.7967 8.7967 9.8126 9.8126 9.8824 9.8824 9.9108 9.9108 10.9466 10.9466 k = 0.2500-0.1443 0.2041 ( 12087 PWs) bands (ev): -13.6629 -13.6629 -13.2314 -13.2314 -10.8634 -10.8634 -10.4730 -10.4730 -10.3852 -10.3852 -10.3787 -10.3787 -2.6414 -2.6414 -2.1719 -2.1719 -1.3432 -1.3432 -1.0932 -1.0932 -0.3065 -0.3065 -0.3054 -0.3054 1.5327 1.5327 2.1545 2.1545 2.2763 2.2763 2.2800 2.2800 2.9945 2.9945 3.0333 3.0333 3.2765 3.2765 3.7667 3.7667 3.8437 3.8437 4.6895 4.6895 5.0322 5.0322 5.0369 5.0369 7.0005 7.0005 7.3495 7.3495 7.4541 7.4541 7.7272 7.7272 7.7714 7.7714 8.6488 8.6488 8.8004 8.8004 9.7761 9.7761 9.8493 9.8493 9.8777 9.8777 10.9003 10.9003 k = 0.2632-0.1519 0.2149 ( 12067 PWs) bands (ev): -13.6533 -13.6533 -13.2405 -13.2405 -10.8577 -10.8577 -10.4826 -10.4826 -10.3854 -10.3854 -10.3791 -10.3791 -2.6373 -2.6373 -2.1906 -2.1906 -1.3410 -1.3410 -1.0834 -1.0834 -0.2947 -0.2947 -0.2940 -0.2940 1.5477 1.5477 2.1433 2.1433 2.2766 2.2766 2.2801 2.2801 3.0216 3.0216 3.0524 3.0524 3.2490 3.2490 3.7759 3.7759 3.8494 3.8494 4.6364 4.6364 5.0072 5.0072 5.0115 5.0115 7.0185 7.0185 7.3694 7.3694 7.4881 7.4881 7.7668 7.7668 7.8102 7.8102 8.6334 8.6334 8.8049 8.8049 9.7389 9.7389 9.8160 9.8160 9.8441 9.8441 10.8583 10.8583 k = 0.2763-0.1595 0.2256 ( 12079 PWs) bands (ev): -13.6434 -13.6434 -13.2498 -13.2498 -10.8517 -10.8517 -10.4926 -10.4926 -10.3855 -10.3855 -10.3795 -10.3795 -2.6326 -2.6326 -2.2092 -2.2092 -1.3379 -1.3379 -1.0747 -1.0747 -0.2835 -0.2835 -0.2832 -0.2832 1.5631 1.5631 2.1319 2.1319 2.2769 2.2769 2.2802 2.2802 3.0500 3.0500 3.0702 3.0702 3.2233 3.2233 3.7858 3.7858 3.8556 3.8556 4.5831 4.5831 4.9825 4.9825 4.9864 4.9864 7.0370 7.0370 7.3848 7.3848 7.5258 7.5258 7.8065 7.8065 7.8490 7.8490 8.6171 8.6171 8.8101 8.8101 9.7010 9.7010 9.7824 9.7824 9.8103 9.8103 10.8211 10.8211 k = 0.2895-0.1671 0.2364 ( 12079 PWs) bands (ev): -13.6332 -13.6332 -13.2595 -13.2595 -10.8452 -10.8452 -10.5029 -10.5029 -10.3856 -10.3856 -10.3799 -10.3799 -2.6274 -2.6274 -2.2275 -2.2275 -1.3337 -1.3337 -1.0674 -1.0674 -0.2730 -0.2730 -0.2727 -0.2727 1.5791 1.5791 2.1200 2.1200 2.2772 2.2772 2.2803 2.2803 3.0795 3.0795 3.0866 3.0866 3.1995 3.1995 3.7962 3.7962 3.8622 3.8622 4.5296 4.5296 4.9583 4.9583 4.9618 4.9618 7.0558 7.0558 7.3970 7.3970 7.5658 7.5658 7.8463 7.8463 7.8879 7.8879 8.5999 8.5999 8.8162 8.8162 9.6627 9.6627 9.7488 9.7488 9.7764 9.7764 10.7890 10.7890 k = 0.3026-0.1747 0.2471 ( 12083 PWs) bands (ev): -13.6227 -13.6227 -13.2695 -13.2695 -10.8384 -10.8384 -10.5136 -10.5136 -10.3857 -10.3857 -10.3803 -10.3803 -2.6218 -2.6218 -2.2457 -2.2457 -1.3284 -1.3284 -1.0614 -1.0614 -0.2635 -0.2635 -0.2626 -0.2626 1.5955 1.5955 2.1079 2.1079 2.2774 2.2774 2.2804 2.2804 3.1014 3.1014 3.1100 3.1100 3.1782 3.1782 3.8071 3.8071 3.8692 3.8692 4.4760 4.4760 4.9346 4.9346 4.9377 4.9377 7.0749 7.0749 7.4069 7.4069 7.6070 7.6070 7.8859 7.8859 7.9264 7.9264 8.5817 8.5817 8.8231 8.8231 9.6239 9.6239 9.7153 9.7153 9.7425 9.7425 10.7622 10.7622 k = 0.3158-0.1823 0.2578 ( 12098 PWs) bands (ev): -13.6119 -13.6119 -13.2797 -13.2797 -10.8312 -10.8312 -10.5246 -10.5246 -10.3858 -10.3858 -10.3807 -10.3807 -2.6156 -2.6156 -2.2635 -2.2635 -1.3221 -1.3221 -1.0569 -1.0569 -0.2547 -0.2547 -0.2531 -0.2531 1.6124 1.6124 2.0954 2.0954 2.2777 2.2777 2.2805 2.2805 3.1144 3.1144 3.1394 3.1394 3.1615 3.1615 3.8185 3.8185 3.8764 3.8764 4.4224 4.4224 4.9116 4.9116 4.9143 4.9143 7.0943 7.0943 7.4148 7.4148 7.6487 7.6487 7.9251 7.9251 7.9645 7.9645 8.5626 8.5626 8.8310 8.8310 9.5850 9.5850 9.6821 9.6821 9.7088 9.7088 10.7411 10.7411 k = 0.3289-0.1899 0.2686 ( 12114 PWs) bands (ev): -13.6008 -13.6008 -13.2902 -13.2902 -10.8236 -10.8236 -10.5358 -10.5358 -10.3859 -10.3859 -10.3811 -10.3811 -2.6090 -2.6090 -2.2811 -2.2811 -1.3146 -1.3146 -1.0539 -1.0539 -0.2466 -0.2466 -0.2443 -0.2443 1.6297 1.6297 2.0825 2.0825 2.2780 2.2780 2.2806 2.2806 3.1257 3.1257 3.1388 3.1388 3.1785 3.1785 3.8301 3.8301 3.8840 3.8840 4.3688 4.3688 4.8893 4.8893 4.8917 4.8917 7.1139 7.1139 7.4211 7.4211 7.6906 7.6906 7.9637 7.9637 8.0020 8.0020 8.5425 8.5425 8.8400 8.8400 9.5459 9.5459 9.6493 9.6493 9.6754 9.6754 10.7260 10.7260 k = 0.3421-0.1975 0.2793 ( 12126 PWs) bands (ev): -13.5896 -13.5896 -13.3010 -13.3010 -10.8156 -10.8156 -10.5473 -10.5473 -10.3859 -10.3859 -10.3815 -10.3815 -2.6018 -2.6018 -2.2984 -2.2984 -1.3062 -1.3062 -1.0525 -1.0525 -0.2393 -0.2393 -0.2363 -0.2363 1.6474 1.6474 2.0692 2.0692 2.2782 2.2782 2.2807 2.2807 3.1253 3.1253 3.1350 3.1350 3.2120 3.2120 3.8419 3.8419 3.8916 3.8916 4.3155 4.3155 4.8679 4.8679 4.8699 4.8699 7.1336 7.1336 7.4257 7.4257 7.7323 7.7323 8.0016 8.0016 8.0385 8.0385 8.5215 8.5215 8.8501 8.8501 9.5069 9.5069 9.6172 9.6172 9.6426 9.6426 10.7169 10.7169 k = 0.3553-0.2051 0.2901 ( 12134 PWs) bands (ev): -13.5781 -13.5781 -13.3120 -13.3120 -10.8072 -10.8072 -10.5591 -10.5591 -10.3860 -10.3860 -10.3819 -10.3819 -2.5941 -2.5941 -2.3153 -2.3153 -1.2967 -1.2967 -1.0528 -1.0528 -0.2325 -0.2325 -0.2289 -0.2289 1.6654 1.6654 2.0555 2.0555 2.2784 2.2784 2.2807 2.2807 3.1136 3.1136 3.1424 3.1424 3.2474 3.2474 3.8538 3.8538 3.8993 3.8993 4.2623 4.2623 4.8475 4.8475 4.8492 4.8492 7.1534 7.1534 7.4286 7.4286 7.7738 7.7738 8.0384 8.0384 8.0739 8.0739 8.4995 8.4995 8.8614 8.8614 9.4680 9.4680 9.5860 9.5860 9.6105 9.6105 10.7141 10.7141 k = 0.3684-0.2127 0.3008 ( 12118 PWs) bands (ev): -13.5664 -13.5664 -13.3232 -13.3232 -10.7985 -10.7985 -10.5710 -10.5710 -10.3860 -10.3860 -10.3822 -10.3822 -2.5860 -2.5860 -2.3320 -2.3320 -1.2863 -1.2863 -1.0546 -1.0546 -0.2265 -0.2265 -0.2224 -0.2224 1.6837 1.6837 2.0412 2.0412 2.2787 2.2787 2.2807 2.2807 3.1043 3.1043 3.1479 3.1479 3.2840 3.2840 3.8655 3.8655 3.9069 3.9069 4.2094 4.2094 4.8281 4.8281 4.8296 4.8296 7.1732 7.1732 7.4299 7.4299 7.8148 7.8148 8.0740 8.0740 8.1079 8.1079 8.4765 8.4765 8.8741 8.8741 9.4294 9.4294 9.5560 9.5560 9.5794 9.5794 10.7177 10.7177 k = 0.3816-0.2203 0.3116 ( 12118 PWs) bands (ev): -13.5545 -13.5545 -13.3347 -13.3347 -10.7893 -10.7893 -10.5830 -10.5830 -10.3860 -10.3860 -10.3826 -10.3826 -2.5773 -2.5773 -2.3483 -2.3483 -1.2749 -1.2749 -1.0582 -1.0582 -0.2210 -0.2210 -0.2165 -0.2165 1.7023 1.7023 2.0265 2.0265 2.2789 2.2789 2.2808 2.2808 3.0975 3.0975 3.1514 3.1514 3.3219 3.3219 3.8771 3.8771 3.9143 3.9143 4.1569 4.1569 4.8100 4.8100 4.8113 4.8113 7.1930 7.1930 7.4295 7.4295 7.8553 7.8553 8.1080 8.1080 8.1401 8.1401 8.4526 8.4526 8.8881 8.8881 9.3912 9.3912 9.5273 9.5273 9.5495 9.5495 10.7276 10.7276 k = 0.3947-0.2279 0.3223 ( 12122 PWs) bands (ev): -13.5426 -13.5426 -13.3463 -13.3463 -10.7798 -10.7798 -10.5952 -10.5952 -10.3860 -10.3860 -10.3829 -10.3829 -2.5682 -2.5682 -2.3642 -2.3642 -1.2628 -1.2628 -1.0633 -1.0633 -0.2162 -0.2162 -0.2115 -0.2115 1.7210 1.7210 2.0113 2.0113 2.2791 2.2791 2.2808 2.2808 3.0930 3.0930 3.1531 3.1531 3.3608 3.3608 3.8883 3.8883 3.9213 3.9213 4.1047 4.1047 4.7933 4.7933 4.7944 4.7944 7.2127 7.2127 7.4274 7.4274 7.8953 7.8953 8.1401 8.1401 8.1703 8.1703 8.4278 8.4278 8.9037 8.9037 9.3535 9.3535 9.5004 9.5004 9.5211 9.5211 10.7440 10.7440 k = 0.4079-0.2355 0.3330 ( 12110 PWs) bands (ev): -13.5304 -13.5304 -13.3580 -13.3580 -10.7700 -10.7700 -10.6075 -10.6075 -10.3859 -10.3859 -10.3832 -10.3832 -2.5586 -2.5586 -2.3799 -2.3799 -1.2499 -1.2499 -1.0699 -1.0699 -0.2118 -0.2118 -0.2071 -0.2071 1.7400 1.7400 1.9956 1.9956 2.2793 2.2793 2.2808 2.2808 3.0908 3.0908 3.1530 3.1530 3.4008 3.4008 3.8990 3.8990 3.9278 3.9278 4.0531 4.0531 4.7781 4.7781 4.7790 4.7790 7.2321 7.2321 7.4236 7.4236 7.9346 7.9346 8.1698 8.1698 8.1980 8.1980 8.4021 8.4021 8.9207 8.9207 9.3164 9.3164 9.4755 9.4755 9.4946 9.4946 10.7667 10.7667 k = 0.4211-0.2431 0.3438 ( 12110 PWs) bands (ev): -13.5182 -13.5182 -13.3700 -13.3700 -10.7598 -10.7598 -10.6198 -10.6198 -10.3859 -10.3859 -10.3836 -10.3836 -2.5485 -2.5485 -2.3951 -2.3951 -1.2364 -1.2364 -1.0780 -1.0780 -0.2081 -0.2081 -0.2035 -0.2035 1.7591 1.7591 1.9795 1.9795 2.2795 2.2795 2.2808 2.2808 3.0906 3.0906 3.1513 3.1513 3.4418 3.4418 3.9089 3.9089 3.9336 3.9336 4.0019 4.0019 4.7645 4.7645 4.7653 4.7653 7.2512 7.2512 7.4182 7.4182 7.9732 7.9732 8.1968 8.1968 8.2230 8.2230 8.3756 8.3756 8.9393 8.9393 9.2801 9.2801 9.4532 9.4532 9.4702 9.4702 10.7955 10.7955 k = 0.4342-0.2507 0.3545 ( 12106 PWs) bands (ev): -13.5059 -13.5059 -13.3820 -13.3820 -10.7493 -10.7493 -10.6321 -10.6321 -10.3858 -10.3858 -10.3839 -10.3839 -2.5380 -2.5380 -2.4100 -2.4100 -1.2224 -1.2224 -1.0874 -1.0874 -0.2048 -0.2048 -0.2006 -0.2006 1.7782 1.7782 1.9628 1.9628 2.2797 2.2797 2.2807 2.2807 3.0922 3.0922 3.1481 3.1481 3.4838 3.4838 3.9180 3.9180 3.9382 3.9382 3.9516 3.9516 4.7527 4.7527 4.7533 4.7533 7.2700 7.2700 7.4111 7.4111 8.0110 8.0110 8.2204 8.2204 8.2447 8.2447 8.3486 8.3486 8.9595 8.9595 9.2447 9.2447 9.4336 9.4336 9.4484 9.4484 10.8305 10.8305 k = 0.4474-0.2583 0.3653 ( 12090 PWs) bands (ev): -13.4935 -13.4935 -13.3942 -13.3942 -10.7386 -10.7386 -10.6444 -10.6444 -10.3857 -10.3857 -10.3841 -10.3841 -2.5270 -2.5270 -2.4246 -2.4246 -1.2080 -1.2080 -1.0980 -1.0980 -0.2020 -0.2020 -0.1984 -0.1984 1.7974 1.7974 1.9457 1.9457 2.2799 2.2799 2.2807 2.2807 3.0955 3.0955 3.1438 3.1438 3.5268 3.5268 3.9010 3.9010 3.9261 3.9261 3.9426 3.9426 4.7429 4.7429 4.7433 4.7433 7.2882 7.2882 7.4025 7.4025 8.0480 8.0480 8.2394 8.2394 8.2629 8.2629 8.3219 8.3219 8.9813 8.9813 9.2103 9.2103 9.4172 9.4172 9.4295 9.4295 10.8713 10.8713 k = 0.4605-0.2659 0.3760 ( 12114 PWs) bands (ev): -13.4810 -13.4810 -13.4064 -13.4064 -10.7275 -10.7275 -10.6567 -10.6567 -10.3856 -10.3856 -10.3844 -10.3844 -2.5156 -2.5156 -2.4387 -2.4387 -1.1934 -1.1934 -1.1097 -1.1097 -0.1997 -0.1997 -0.1968 -0.1968 1.8166 1.8166 1.9281 1.9281 2.2800 2.2800 2.2806 2.2806 3.1001 3.1001 3.1384 3.1384 3.5707 3.5707 3.8516 3.8516 3.9330 3.9330 3.9453 3.9453 4.7351 4.7351 4.7354 4.7354 7.3058 7.3058 7.3923 7.3923 8.0841 8.0841 8.2502 8.2502 8.2771 8.2771 8.2986 8.2986 9.0047 9.0047 9.1769 9.1769 9.4045 9.4045 9.4139 9.4139 10.9177 10.9177 k = 0.4737-0.2735 0.3868 ( 12138 PWs) bands (ev): -13.4686 -13.4686 -13.4188 -13.4188 -10.7162 -10.7162 -10.6689 -10.6689 -10.3854 -10.3854 -10.3847 -10.3847 -2.5038 -2.5038 -2.4525 -2.4525 -1.1787 -1.1787 -1.1223 -1.1223 -0.1979 -0.1979 -0.1959 -0.1959 1.8356 1.8356 1.9102 1.9102 2.2801 2.2801 2.2806 2.2806 3.1057 3.1057 3.1322 3.1322 3.6154 3.6154 3.8029 3.8029 3.9386 3.9386 3.9468 3.9468 4.7294 4.7294 4.7296 4.7296 7.3227 7.3227 7.3808 7.3808 8.1192 8.1192 8.2419 8.2419 8.2871 8.2871 8.2894 8.2894 9.0297 9.0297 9.1447 9.1447 9.3956 9.3956 9.4020 9.4020 10.9695 10.9695 k = 0.4868-0.2811 0.3975 ( 12150 PWs) bands (ev): -13.4561 -13.4561 -13.4312 -13.4312 -10.7046 -10.7046 -10.6809 -10.6809 -10.3853 -10.3853 -10.3849 -10.3849 -2.4916 -2.4916 -2.4659 -2.4659 -1.1641 -1.1641 -1.1357 -1.1357 -0.1966 -0.1966 -0.1956 -0.1956 1.8546 1.8546 1.8919 1.8919 2.2803 2.2803 2.2805 2.2805 3.1120 3.1120 3.1255 3.1255 3.6611 3.6611 3.7549 3.7549 3.9428 3.9428 3.9469 3.9469 4.7260 4.7260 4.7261 4.7261 7.3388 7.3388 7.3679 7.3679 8.1532 8.1532 8.2166 8.2166 8.2919 8.2919 8.2927 8.2927 9.0563 9.0563 9.1139 9.1139 9.3908 9.3908 9.3941 9.3941 11.0264 11.0264 k = 0.5000-0.2887 0.4082 ( 12150 PWs) bands (ev): -13.4436 -13.4436 -13.4436 -13.4436 -10.6929 -10.6929 -10.6929 -10.6929 -10.3851 -10.3851 -10.3851 -10.3851 -2.4789 -2.4789 -2.4789 -2.4789 -1.1497 -1.1497 -1.1497 -1.1497 -0.1958 -0.1958 -0.1958 -0.1958 1.8734 1.8734 1.8734 1.8734 2.2804 2.2804 2.2804 2.2804 3.1187 3.1187 3.1187 3.1187 3.7076 3.7076 3.7076 3.7076 3.9456 3.9456 3.9456 3.9456 4.7249 4.7249 4.7249 4.7249 7.3539 7.3539 7.3539 7.3539 8.1860 8.1860 8.1860 8.1860 8.2941 8.2941 8.2941 8.2941 9.0843 9.0843 9.0844 9.0844 9.3903 9.3903 9.3903 9.3903 11.0881 11.0881 k = 0.5000-0.2887 0.4082 ( 12150 PWs) bands (ev): -13.4436 -13.4436 -13.4436 -13.4436 -10.6929 -10.6929 -10.6929 -10.6929 -10.3851 -10.3851 -10.3851 -10.3851 -2.4789 -2.4789 -2.4789 -2.4789 -1.1497 -1.1497 -1.1497 -1.1497 -0.1958 -0.1958 -0.1958 -0.1958 1.8734 1.8734 1.8734 1.8734 2.2804 2.2804 2.2804 2.2804 3.1187 3.1187 3.1187 3.1187 3.7076 3.7076 3.7076 3.7076 3.9456 3.9456 3.9456 3.9456 4.7249 4.7249 4.7249 4.7249 7.3539 7.3539 7.3539 7.3539 8.1860 8.1860 8.1860 8.1860 8.2941 8.2941 8.2941 8.2941 9.0843 9.0843 9.0844 9.0844 9.3903 9.3903 9.3903 9.3903 11.0881 11.0881 k = 0.5000-0.2735 0.4190 ( 12150 PWs) bands (ev): -13.4436 -13.4436 -13.4436 -13.4436 -10.6931 -10.6931 -10.6927 -10.6927 -10.3852 -10.3852 -10.3848 -10.3848 -2.4841 -2.4841 -2.4734 -2.4734 -1.1681 -1.1681 -1.1312 -1.1312 -0.2109 -0.2109 -0.1816 -0.1816 1.8730 1.8730 1.8737 1.8737 2.2803 2.2803 2.2805 2.2805 3.1183 3.1183 3.1203 3.1203 3.7069 3.7069 3.7069 3.7069 3.9450 3.9450 3.9481 3.9481 4.7240 4.7240 4.7241 4.7241 7.3540 7.3540 7.3558 7.3558 8.1798 8.1798 8.1876 8.1876 8.2905 8.2905 8.3017 8.3017 9.0784 9.0784 9.0864 9.0864 9.3873 9.3873 9.3960 9.3960 11.0855 11.0869 k = 0.5000-0.2583 0.4297 ( 12140 PWs) bands (ev): -13.4436 -13.4436 -13.4436 -13.4436 -10.6934 -10.6934 -10.6927 -10.6927 -10.3853 -10.3853 -10.3845 -10.3845 -2.4890 -2.4890 -2.4675 -2.4675 -1.1862 -1.1862 -1.1125 -1.1125 -0.2268 -0.2268 -0.1684 -0.1684 1.8726 1.8726 1.8741 1.8741 2.2801 2.2801 2.2805 2.2805 3.1192 3.1192 3.1230 3.1230 3.7049 3.7049 3.7049 3.7049 3.9463 3.9463 3.9525 3.9525 4.7215 4.7215 4.7217 4.7217 7.3562 7.3562 7.3596 7.3596 8.1705 8.1705 8.1841 8.1841 8.2916 8.2916 8.3120 8.3120 9.0691 9.0691 9.0844 9.0844 9.3872 9.3872 9.4040 9.4040 11.0797 11.0804 k = 0.5000-0.2431 0.4405 ( 12144 PWs) bands (ev): -13.4436 -13.4436 -13.4436 -13.4436 -10.6938 -10.6938 -10.6928 -10.6928 -10.3853 -10.3853 -10.3841 -10.3841 -2.4934 -2.4934 -2.4614 -2.4614 -1.2041 -1.2041 -1.0938 -1.0938 -0.2435 -0.2435 -0.1562 -0.1562 1.8723 1.8723 1.8745 1.8745 2.2800 2.2800 2.2806 2.2806 3.1212 3.1212 3.1269 3.1269 3.7016 3.7016 3.7016 3.7016 3.9494 3.9494 3.9586 3.9586 4.7175 4.7175 4.7176 4.7176 7.3602 7.3602 7.3654 7.3654 8.1591 8.1591 8.1761 8.1761 8.2967 8.2967 8.3240 8.3240 9.0569 9.0569 9.0784 9.0784 9.3899 9.3899 9.4138 9.4138 11.0709 11.0725 k = 0.5000-0.2279 0.4512 ( 12140 PWs) bands (ev): -13.4436 -13.4436 -13.4435 -13.4435 -10.6942 -10.6942 -10.6929 -10.6929 -10.3852 -10.3852 -10.3836 -10.3836 -2.4974 -2.4974 -2.4550 -2.4550 -1.2216 -1.2216 -1.0750 -1.0750 -0.2610 -0.2610 -0.1449 -0.1449 1.8719 1.8719 1.8749 1.8749 2.2798 2.2798 2.2806 2.2806 3.1243 3.1243 3.1319 3.1319 3.6971 3.6971 3.6974 3.6974 3.9542 3.9542 3.9663 3.9663 4.7119 4.7119 4.7120 4.7120 7.3660 7.3660 7.3731 7.3731 8.1466 8.1466 8.1648 8.1648 8.3045 8.3045 8.3367 8.3367 9.0424 9.0424 9.0690 9.0690 9.3950 9.3950 9.4248 9.4248 11.0592 11.0615 k = 0.5000-0.2127 0.4620 ( 12124 PWs) bands (ev): -13.4436 -13.4436 -13.4435 -13.4435 -10.6947 -10.6947 -10.6931 -10.6931 -10.3851 -10.3851 -10.3831 -10.3831 -2.5011 -2.5011 -2.4483 -2.4483 -1.2387 -1.2387 -1.0563 -1.0563 -0.2790 -0.2790 -0.1346 -0.1346 1.8716 1.8716 1.8752 1.8752 2.2796 2.2796 2.2806 2.2806 3.1285 3.1285 3.1379 3.1379 3.6917 3.6917 3.6922 3.6922 3.9605 3.9605 3.9753 3.9753 4.7050 4.7050 4.7050 4.7050 7.3735 7.3735 7.3826 7.3826 8.1334 8.1334 8.1514 8.1514 8.3139 8.3139 8.3496 8.3496 9.0264 9.0264 9.0568 9.0568 9.4019 9.4019 9.4364 9.4364 11.0459 11.0479 k = 0.5000-0.1975 0.4727 ( 12120 PWs) bands (ev): -13.4436 -13.4436 -13.4435 -13.4435 -10.6953 -10.6953 -10.6934 -10.6934 -10.3848 -10.3848 -10.3825 -10.3825 -2.5044 -2.5044 -2.4416 -2.4416 -1.2553 -1.2553 -1.0377 -1.0377 -0.2976 -0.2976 -0.1252 -0.1252 1.8712 1.8712 1.8755 1.8755 2.2794 2.2794 2.2806 2.2806 3.1336 3.1336 3.1447 3.1447 3.6855 3.6855 3.6863 3.6863 3.9680 3.9680 3.9855 3.9855 4.6966 4.6966 4.6968 4.6968 7.3825 7.3825 7.3937 7.3937 8.1199 8.1199 8.1368 8.1368 8.3239 8.3239 8.3625 8.3625 9.0093 9.0093 9.0423 9.0423 9.4101 9.4101 9.4484 9.4484 11.0313 11.0322 k = 0.5000-0.1823 0.4835 ( 12124 PWs) bands (ev): -13.4436 -13.4436 -13.4434 -13.4434 -10.6959 -10.6959 -10.6937 -10.6937 -10.3846 -10.3846 -10.3819 -10.3819 -2.5073 -2.5073 -2.4348 -2.4348 -1.2713 -1.2713 -1.0192 -1.0192 -0.3165 -0.3165 -0.1168 -0.1168 1.8709 1.8709 1.8759 1.8759 2.2792 2.2792 2.2805 2.2805 3.1395 3.1395 3.1522 3.1522 3.6787 3.6787 3.6800 3.6800 3.9765 3.9765 3.9965 3.9965 4.6871 4.6871 4.6876 4.6876 7.3929 7.3929 7.4062 7.4062 8.1062 8.1062 8.1214 8.1214 8.3341 8.3341 8.3750 8.3750 8.9916 8.9916 9.0264 9.0264 9.4191 9.4191 9.4602 9.4602 11.0164 11.0186 k = 0.5000-0.1671 0.4942 ( 12124 PWs) bands (ev): -13.4436 -13.4436 -13.4434 -13.4434 -10.6965 -10.6965 -10.6941 -10.6941 -10.3842 -10.3842 -10.3813 -10.3813 -2.5099 -2.5099 -2.4280 -2.4280 -1.2866 -1.2866 -1.0009 -1.0009 -0.3356 -0.3356 -0.1093 -0.1093 1.8706 1.8706 1.8762 1.8762 2.2790 2.2790 2.2805 2.2805 3.1460 3.1460 3.1603 3.1603 3.6715 3.6715 3.6732 3.6732 3.9858 3.9858 4.0083 4.0083 4.6767 4.6767 4.6775 4.6775 7.4043 7.4043 7.4199 7.4199 8.0927 8.0927 8.1057 8.1057 8.3440 8.3440 8.3871 8.3871 8.9738 8.9738 9.0096 9.0096 9.4284 9.4284 9.4717 9.4717 11.0015 11.0026 k = 0.5000-0.1519 0.5049 ( 12124 PWs) bands (ev): -13.4436 -13.4436 -13.4434 -13.4434 -10.6972 -10.6972 -10.6945 -10.6945 -10.3839 -10.3839 -10.3806 -10.3806 -2.5122 -2.5122 -2.4214 -2.4214 -1.3011 -1.3011 -0.9829 -0.9829 -0.3548 -0.3548 -0.1026 -0.1026 1.8704 1.8704 1.8764 1.8764 2.2788 2.2788 2.2804 2.2804 3.1531 3.1531 3.1688 3.1688 3.6641 3.6641 3.6663 3.6663 3.9957 3.9957 4.0205 4.0205 4.6654 4.6654 4.6668 4.6668 7.4165 7.4165 7.4346 7.4346 8.0794 8.0794 8.0899 8.0899 8.3535 8.3535 8.3985 8.3985 8.9563 8.9563 8.9924 8.9924 9.4377 9.4377 9.4826 9.4826 10.9868 10.9871 k = 0.5000-0.1367 0.5157 ( 12130 PWs) bands (ev): -13.4436 -13.4436 -13.4433 -13.4433 -10.6978 -10.6978 -10.6949 -10.6949 -10.3835 -10.3835 -10.3800 -10.3800 -2.5141 -2.5141 -2.4149 -2.4149 -1.3148 -1.3148 -0.9654 -0.9654 -0.3737 -0.3737 -0.0967 -0.0967 1.8701 1.8701 1.8767 1.8767 2.2786 2.2786 2.2803 2.2803 3.1604 3.1604 3.1774 3.1774 3.6566 3.6566 3.6593 3.6593 4.0058 4.0058 4.0329 4.0329 4.6537 4.6537 4.6557 4.6557 7.4292 7.4292 7.4500 7.4500 8.0665 8.0665 8.0741 8.0741 8.3624 8.3624 8.4092 8.4092 8.9394 8.9394 8.9753 8.9753 9.4466 9.4466 9.4928 9.4928 10.9729 10.9736 k = 0.5000-0.1215 0.5264 ( 12114 PWs) bands (ev): -13.4435 -13.4435 -13.4433 -13.4433 -10.6984 -10.6984 -10.6953 -10.6953 -10.3832 -10.3832 -10.3794 -10.3794 -2.5157 -2.5157 -2.4088 -2.4088 -1.3274 -1.3274 -0.9485 -0.9485 -0.3922 -0.3922 -0.0916 -0.0916 1.8699 1.8699 1.8769 1.8769 2.2784 2.2784 2.2802 2.2802 3.1679 3.1679 3.1861 3.1861 3.6492 3.6492 3.6524 3.6524 4.0159 4.0159 4.0452 4.0452 4.6418 4.6418 4.6446 4.6446 7.4420 7.4420 7.4656 7.4656 8.0542 8.0542 8.0587 8.0587 8.3705 8.3705 8.4190 8.4190 8.9235 8.9235 8.9588 8.9588 9.4550 9.4550 9.5022 9.5022 10.9602 10.9629 k = 0.5000-0.1064 0.5372 ( 12122 PWs) bands (ev): -13.4435 -13.4435 -13.4433 -13.4433 -10.6990 -10.6990 -10.6957 -10.6957 -10.3828 -10.3828 -10.3788 -10.3788 -2.5171 -2.5171 -2.4030 -2.4030 -1.3389 -1.3389 -0.9323 -0.9323 -0.4100 -0.4100 -0.0872 -0.0872 1.8696 1.8696 1.8771 1.8771 2.2782 2.2782 2.2802 2.2802 3.1752 3.1752 3.1945 3.1945 3.6422 3.6422 3.6458 3.6458 4.0258 4.0258 4.0572 4.0572 4.6301 4.6301 4.6336 4.6336 7.4548 7.4548 7.4812 7.4812 8.0427 8.0427 8.0439 8.0439 8.3777 8.3777 8.4279 8.4279 8.9087 8.9087 8.9433 8.9433 9.4627 9.4627 9.5106 9.5106 10.9484 10.9626 k = 0.5000-0.0912 0.5479 ( 12118 PWs) bands (ev): -13.4435 -13.4435 -13.4432 -13.4432 -10.6996 -10.6996 -10.6961 -10.6961 -10.3825 -10.3825 -10.3783 -10.3783 -2.5183 -2.5183 -2.3978 -2.3978 -1.3491 -1.3491 -0.9172 -0.9172 -0.4267 -0.4267 -0.0835 -0.0835 1.8695 1.8695 1.8773 1.8773 2.2780 2.2780 2.2801 2.2801 3.1822 3.1822 3.2025 3.2025 3.6356 3.6356 3.6396 3.6396 4.0352 4.0352 4.0687 4.0687 4.6187 4.6187 4.6232 4.6232 7.4669 7.4669 7.4963 7.4963 8.0298 8.0298 8.0320 8.0320 8.3841 8.3841 8.4358 8.4358 8.8955 8.8955 8.9291 8.9291 9.4695 9.4695 9.5179 9.5179 10.9379 10.9380 k = 0.5000-0.0760 0.5587 ( 12122 PWs) bands (ev): -13.4435 -13.4435 -13.4432 -13.4432 -10.7000 -10.7000 -10.6964 -10.6964 -10.3821 -10.3821 -10.3778 -10.3778 -2.5192 -2.5192 -2.3932 -2.3932 -1.3580 -1.3580 -0.9034 -0.9034 -0.4420 -0.4420 -0.0804 -0.0804 1.8693 1.8693 1.8775 1.8775 2.2779 2.2779 2.2800 2.2800 3.1886 3.1886 3.2097 3.2097 3.6297 3.6297 3.6339 3.6339 4.0439 4.0439 4.0792 4.0792 4.6082 4.6082 4.6136 4.6136 7.4782 7.4782 7.5104 7.5104 8.0170 8.0170 8.0224 8.0224 8.3895 8.3895 8.4426 8.4426 8.8839 8.8839 8.9165 8.9165 9.4754 9.4754 9.5242 9.5242 10.9290 10.9291 k = 0.5000-0.0608 0.5694 ( 12116 PWs) bands (ev): -13.4435 -13.4435 -13.4432 -13.4432 -10.7004 -10.7004 -10.6967 -10.6967 -10.3819 -10.3819 -10.3774 -10.3774 -2.5200 -2.5200 -2.3892 -2.3892 -1.3654 -1.3654 -0.8914 -0.8914 -0.4554 -0.4554 -0.0779 -0.0779 1.8692 1.8692 1.8776 1.8776 2.2778 2.2778 2.2800 2.2800 3.1942 3.1942 3.2160 3.2160 3.6245 3.6245 3.6290 3.6290 4.0514 4.0514 4.0884 4.0884 4.5989 4.5989 4.6051 4.6051 7.4880 7.4880 7.5230 7.5230 8.0056 8.0056 8.0142 8.0142 8.3939 8.3939 8.4482 8.4482 8.8742 8.8742 8.9058 8.9058 9.4804 9.4804 9.5294 9.5294 10.9215 10.9218 k = 0.5000-0.0456 0.5801 ( 12128 PWs) bands (ev): -13.4435 -13.4435 -13.4432 -13.4432 -10.7008 -10.7008 -10.6969 -10.6969 -10.3817 -10.3817 -10.3771 -10.3771 -2.5205 -2.5205 -2.3861 -2.3861 -1.3713 -1.3713 -0.8813 -0.8813 -0.4665 -0.4665 -0.0761 -0.0761 1.8690 1.8690 1.8777 1.8777 2.2777 2.2777 2.2799 2.2799 3.1989 3.1989 3.2212 3.2212 3.6204 3.6204 3.6250 3.6250 4.0577 4.0577 4.0960 4.0960 4.5912 4.5912 4.5982 4.5982 7.4962 7.4962 7.5336 7.5336 7.9962 7.9962 8.0075 8.0075 8.3973 8.3973 8.4526 8.4526 8.8665 8.8665 8.8972 8.8972 9.4842 9.4842 9.5335 9.5335 10.9157 10.9165 k = 0.5000-0.0304 0.5909 ( 12128 PWs) bands (ev): -13.4435 -13.4435 -13.4432 -13.4432 -10.7010 -10.7010 -10.6971 -10.6971 -10.3815 -10.3815 -10.3768 -10.3768 -2.5209 -2.5209 -2.3838 -2.3838 -1.3756 -1.3756 -0.8738 -0.8738 -0.4749 -0.4749 -0.0747 -0.0747 1.8690 1.8690 1.8778 1.8778 2.2776 2.2776 2.2799 2.2799 3.2023 3.2023 3.2250 3.2250 3.6172 3.6172 3.6221 3.6221 4.0623 4.0623 4.1017 4.1017 4.5854 4.5854 4.5930 4.5930 7.5023 7.5023 7.5416 7.5416 7.9891 7.9891 8.0025 8.0025 8.3998 8.3998 8.4558 8.4558 8.8610 8.8610 8.8910 8.8910 9.4870 9.4870 9.5364 9.5364 10.9115 10.9115 k = 0.5000-0.0152 0.6016 ( 12132 PWs) bands (ev): -13.4435 -13.4435 -13.4431 -13.4431 -10.7011 -10.7011 -10.6972 -10.6972 -10.3814 -10.3814 -10.3767 -10.3767 -2.5211 -2.5211 -2.3824 -2.3824 -1.3782 -1.3782 -0.8691 -0.8691 -0.4801 -0.4801 -0.0740 -0.0740 1.8689 1.8689 1.8778 1.8778 2.2775 2.2775 2.2798 2.2798 3.2044 3.2044 3.2274 3.2274 3.6153 3.6153 3.6203 3.6203 4.0652 4.0652 4.1052 4.1052 4.5818 4.5818 4.5898 4.5898 7.5061 7.5061 7.5466 7.5466 7.9847 7.9847 7.9994 7.9994 8.4012 8.4012 8.4577 8.4577 8.8576 8.8576 8.8872 8.8872 9.4887 9.4887 9.5382 9.5382 10.9090 10.9090 k = 0.5000-0.0000 0.6124 ( 12180 PWs) bands (ev): -13.4435 -13.4435 -13.4431 -13.4431 -10.7012 -10.7012 -10.6973 -10.6973 -10.3814 -10.3814 -10.3766 -10.3766 -2.5212 -2.5212 -2.3819 -2.3819 -1.3790 -1.3790 -0.8675 -0.8675 -0.4819 -0.4819 -0.0737 -0.0737 1.8689 1.8689 1.8778 1.8778 2.2775 2.2775 2.2798 2.2798 3.2051 3.2051 3.2282 3.2282 3.6147 3.6147 3.6196 3.6196 4.0661 4.0661 4.1064 4.1064 4.5805 4.5805 4.5887 4.5887 7.5074 7.5074 7.5483 7.5483 7.9832 7.9832 7.9984 7.9984 8.4017 8.4017 8.4584 8.4584 8.8565 8.8565 8.8859 8.8859 9.4892 9.4892 9.5387 9.5387 10.9081 10.9083 k = 0.5000-0.0000 0.6124 ( 12180 PWs) bands (ev): -13.4435 -13.4435 -13.4431 -13.4431 -10.7012 -10.7012 -10.6973 -10.6973 -10.3814 -10.3814 -10.3766 -10.3766 -2.5212 -2.5212 -2.3819 -2.3819 -1.3790 -1.3790 -0.8675 -0.8675 -0.4819 -0.4819 -0.0737 -0.0737 1.8689 1.8689 1.8778 1.8778 2.2775 2.2775 2.2798 2.2798 3.2051 3.2051 3.2282 3.2282 3.6147 3.6147 3.6196 3.6196 4.0661 4.0661 4.1064 4.1064 4.5805 4.5805 4.5887 4.5887 7.5074 7.5074 7.5483 7.5483 7.9832 7.9832 7.9984 7.9984 8.4017 8.4017 8.4584 8.4584 8.8565 8.8565 8.8859 8.8859 9.4892 9.4892 9.5387 9.5387 10.9082 10.9083 k = 0.4911 0.0155 0.6124 ( 12130 PWs) bands (ev): -13.4490 -13.4490 -13.4376 -13.4376 -10.7056 -10.7056 -10.6928 -10.6928 -10.3814 -10.3814 -10.3766 -10.3766 -2.5215 -2.5215 -2.3816 -2.3816 -1.3789 -1.3789 -0.8679 -0.8679 -0.4813 -0.4813 -0.0739 -0.0739 1.8647 1.8647 1.8820 1.8820 2.2775 2.2775 2.2798 2.2798 3.2049 3.2049 3.2279 3.2279 3.6060 3.6060 3.6285 3.6285 4.0644 4.0644 4.1075 4.1075 4.5658 4.5658 4.6049 4.6049 7.4987 7.4987 7.5555 7.5555 7.9748 7.9748 8.0071 8.0071 8.4002 8.4002 8.4598 8.4598 8.8545 8.8545 8.8877 8.8877 9.4893 9.4893 9.5399 9.5399 10.9027 10.9028 k = 0.4821 0.0309 0.6124 ( 12130 PWs) bands (ev): -13.4543 -13.4543 -13.4323 -13.4323 -10.7111 -10.7111 -10.6871 -10.6871 -10.3815 -10.3815 -10.3767 -10.3767 -2.5224 -2.5224 -2.3809 -2.3809 -1.3787 -1.3787 -0.8689 -0.8689 -0.4797 -0.4797 -0.0747 -0.0747 1.8584 1.8584 1.8883 1.8883 2.2775 2.2775 2.2799 2.2799 3.2041 3.2041 3.2271 3.2271 3.5969 3.5969 3.6383 3.6383 4.0592 4.0592 4.1110 4.1110 4.5478 4.5478 4.6265 4.6265 7.4799 7.4799 7.5704 7.5704 7.9643 7.9643 8.0179 8.0179 8.3974 8.3974 8.4631 8.4631 8.8489 8.8489 8.8923 8.8923 9.4896 9.4896 9.5430 9.5430 10.8922 10.8923 k = 0.4732 0.0464 0.6124 ( 12128 PWs) bands (ev): -13.4593 -13.4593 -13.4273 -13.4273 -10.7163 -10.7163 -10.6815 -10.6815 -10.3816 -10.3816 -10.3767 -10.3767 -2.5238 -2.5238 -2.3798 -2.3798 -1.3783 -1.3783 -0.8704 -0.8704 -0.4772 -0.4772 -0.0758 -0.0758 1.8523 1.8523 1.8944 1.8944 2.2775 2.2775 2.2799 2.2799 3.2030 3.2030 3.2258 3.2258 3.5893 3.5893 3.6471 3.6471 4.0514 4.0514 4.1165 4.1165 4.5299 4.5299 4.6496 4.6496 7.4572 7.4572 7.5873 7.5873 7.9556 7.9556 8.0259 8.0259 8.3954 8.3954 8.4671 8.4671 8.8407 8.8407 8.8983 8.8983 9.4902 9.4902 9.5477 9.5477 10.8808 10.8808 k = 0.4643 0.0619 0.6124 ( 12128 PWs) bands (ev): -13.4639 -13.4639 -13.4228 -13.4228 -10.7211 -10.7211 -10.6762 -10.6762 -10.3818 -10.3818 -10.3767 -10.3767 -2.5255 -2.5255 -2.3784 -2.3784 -1.3778 -1.3778 -0.8723 -0.8723 -0.4740 -0.4740 -0.0773 -0.0773 1.8466 1.8466 1.9000 1.9000 2.2776 2.2776 2.2799 2.2799 3.2016 3.2016 3.2241 3.2241 3.5830 3.5830 3.6548 3.6548 4.0423 4.0423 4.1231 4.1231 4.5124 4.5124 4.6733 4.6733 7.4329 7.4329 7.6046 7.6046 7.9489 7.9489 8.0304 8.0304 8.3958 8.3958 8.4711 8.4711 8.8305 8.8305 8.9048 8.9048 9.4913 9.4913 9.5537 9.5537 10.8694 10.8694 k = 0.4554 0.0773 0.6124 ( 12134 PWs) bands (ev): -13.4681 -13.4681 -13.4186 -13.4186 -10.7255 -10.7255 -10.6713 -10.6713 -10.3821 -10.3821 -10.3767 -10.3767 -2.5275 -2.5275 -2.3768 -2.3768 -1.3772 -1.3772 -0.8745 -0.8745 -0.4703 -0.4703 -0.0790 -0.0790 1.8415 1.8415 1.9051 1.9051 2.2776 2.2776 2.2800 2.2800 3.1999 3.1999 3.2222 3.2222 3.5780 3.5780 3.6614 3.6614 4.0327 4.0327 4.1305 4.1305 4.4955 4.4955 4.6968 4.6968 7.4083 7.4083 7.6218 7.6218 7.9437 7.9437 8.0312 8.0312 8.3992 8.3992 8.4750 8.4750 8.8186 8.8186 8.9112 8.9112 9.4928 9.4928 9.5604 9.5604 10.8584 10.8584 k = 0.4464 0.0928 0.6124 ( 12125 PWs) bands (ev): -13.4719 -13.4719 -13.4149 -13.4149 -10.7295 -10.7295 -10.6667 -10.6667 -10.3824 -10.3824 -10.3767 -10.3767 -2.5296 -2.5296 -2.3751 -2.3751 -1.3765 -1.3765 -0.8767 -0.8767 -0.4664 -0.4664 -0.0809 -0.0809 1.8370 1.8370 1.9097 1.9097 2.2776 2.2776 2.2800 2.2800 3.1981 3.1981 3.2203 3.2203 3.5741 3.5741 3.6671 3.6671 4.0233 4.0233 4.1382 4.1382 4.4793 4.4793 4.7196 4.7196 7.3840 7.3840 7.6386 7.6386 7.9398 7.9398 8.0287 8.0287 8.4057 8.4057 8.4786 8.4786 8.8052 8.8052 8.9174 8.9174 9.4946 9.4946 9.5675 9.5675 10.8480 10.8480 k = 0.4375 0.1083 0.6124 ( 12135 PWs) bands (ev): -13.4753 -13.4753 -13.4116 -13.4116 -10.7331 -10.7331 -10.6626 -10.6626 -10.3827 -10.3827 -10.3766 -10.3766 -2.5317 -2.5317 -2.3735 -2.3735 -1.3758 -1.3758 -0.8790 -0.8790 -0.4623 -0.4623 -0.0829 -0.0829 1.8329 1.8329 1.9137 1.9137 2.2776 2.2776 2.2801 2.2801 3.1960 3.1960 3.2184 3.2184 3.5712 3.5712 3.6719 3.6719 4.0143 4.0143 4.1459 4.1459 4.4639 4.4639 4.7411 4.7411 7.3610 7.3610 7.6549 7.6549 7.9368 7.9368 8.0235 8.0235 8.4147 8.4147 8.4821 8.4821 8.7908 8.7908 8.9231 8.9231 9.4967 9.4967 9.5747 9.5747 10.8384 10.8384 k = 0.4286 0.1237 0.6124 ( 12123 PWs) bands (ev): -13.4782 -13.4782 -13.4087 -13.4087 -10.7362 -10.7362 -10.6589 -10.6589 -10.3830 -10.3830 -10.3766 -10.3766 -2.5338 -2.5338 -2.3719 -2.3719 -1.3750 -1.3750 -0.8812 -0.8812 -0.4584 -0.4584 -0.0848 -0.0848 1.8295 1.8295 1.9172 1.9172 2.2776 2.2776 2.2802 2.2802 3.1940 3.1940 3.2167 3.2167 3.5689 3.5689 3.6759 3.6759 4.0061 4.0061 4.1535 4.1535 4.4497 4.4497 4.7609 4.7609 7.3397 7.3397 7.6703 7.6703 7.9344 7.9344 8.0164 8.0164 8.4253 8.4253 8.4858 8.4858 8.7757 8.7757 8.9281 8.9281 9.4989 9.4989 9.5816 9.5816 10.8298 10.8298 k = 0.4196 0.1392 0.6124 ( 12113 PWs) bands (ev): -13.4807 -13.4807 -13.4062 -13.4062 -10.7388 -10.7388 -10.6557 -10.6557 -10.3833 -10.3833 -10.3766 -10.3766 -2.5356 -2.5356 -2.3705 -2.3705 -1.3744 -1.3744 -0.8832 -0.8832 -0.4547 -0.4547 -0.0867 -0.0867 1.8266 1.8266 1.9202 1.9202 2.2776 2.2776 2.2802 2.2802 3.1920 3.1920 3.2153 3.2153 3.5673 3.5673 3.6790 3.6790 3.9988 3.9988 4.1607 4.1607 4.4368 4.4368 4.7784 4.7784 7.3207 7.3207 7.6846 7.6846 7.9325 7.9325 8.0082 8.0082 8.4363 8.4363 8.4900 8.4900 8.7603 8.7603 8.9325 8.9325 9.5011 9.5011 9.5880 9.5880 10.8224 10.8224 k = 0.4107 0.1546 0.6124 ( 12108 PWs) bands (ev): -13.4828 -13.4828 -13.4042 -13.4042 -10.7410 -10.7410 -10.6531 -10.6531 -10.3836 -10.3836 -10.3766 -10.3766 -2.5373 -2.5373 -2.3693 -2.3693 -1.3738 -1.3738 -0.8849 -0.8849 -0.4514 -0.4514 -0.0884 -0.0884 1.8242 1.8242 1.9226 1.9226 2.2776 2.2776 2.2803 2.2803 3.1901 3.1901 3.2141 3.2141 3.5662 3.5662 3.6815 3.6815 3.9928 3.9928 4.1672 4.1672 4.4256 4.4256 4.7933 4.7933 7.3046 7.3046 7.6974 7.6974 7.9310 7.9310 7.9999 7.9999 8.4463 8.4463 8.4953 8.4953 8.7454 8.7454 8.9362 8.9362 9.5030 9.5030 9.5936 9.5936 10.8162 10.8162 k = 0.4018 0.1701 0.6124 ( 12119 PWs) bands (ev): -13.4844 -13.4844 -13.4026 -13.4026 -10.7427 -10.7427 -10.6510 -10.6510 -10.3839 -10.3839 -10.3765 -10.3765 -2.5386 -2.5386 -2.3683 -2.3683 -1.3733 -1.3733 -0.8863 -0.8863 -0.4488 -0.4488 -0.0898 -0.0898 1.8223 1.8223 1.9245 1.9245 2.2776 2.2776 2.2803 2.2803 3.1886 3.1886 3.2132 3.2132 3.5654 3.5654 3.6833 3.6833 3.9880 3.9880 4.1727 4.1727 4.4164 4.4164 4.8052 4.8052 7.2916 7.2916 7.7082 7.7082 7.9296 7.9296 7.9925 7.9925 8.4541 8.4541 8.5015 8.5015 8.7319 8.7319 8.9390 8.9390 9.5047 9.5047 9.5982 9.5982 10.8112 10.8112 k = 0.3929 0.1856 0.6124 ( 12109 PWs) bands (ev): -13.4856 -13.4856 -13.4015 -13.4015 -10.7439 -10.7439 -10.6494 -10.6494 -10.3841 -10.3841 -10.3765 -10.3765 -2.5396 -2.5396 -2.3675 -2.3675 -1.3729 -1.3729 -0.8874 -0.8874 -0.4468 -0.4468 -0.0909 -0.0909 1.8210 1.8210 1.9258 1.9258 2.2776 2.2776 2.2804 2.2804 3.1874 3.1874 3.2126 3.2126 3.5649 3.5649 3.6846 3.6846 3.9845 3.9845 4.1769 4.1769 4.4095 4.4095 4.8139 4.8139 7.2821 7.2821 7.7165 7.7165 7.9284 7.9284 7.9865 7.9865 8.4593 8.4593 8.5079 8.5079 8.7207 8.7207 8.9411 8.9411 9.5060 9.5060 9.6016 9.6016 10.8077 10.8077 k = 0.3839 0.2010 0.6124 ( 12102 PWs) bands (ev): -13.4862 -13.4862 -13.4008 -13.4008 -10.7446 -10.7446 -10.6485 -10.6485 -10.3842 -10.3842 -10.3765 -10.3765 -2.5402 -2.5402 -2.3671 -2.3671 -1.3726 -1.3726 -0.8880 -0.8880 -0.4455 -0.4455 -0.0915 -0.0915 1.8202 1.8202 1.9266 1.9266 2.2776 2.2776 2.2804 2.2804 3.1866 3.1866 3.2122 3.2122 3.5646 3.5646 3.6853 3.6853 3.9824 3.9824 4.1796 4.1796 4.4052 4.4052 4.8192 4.8192 7.2763 7.2763 7.7218 7.7218 7.9276 7.9276 7.9827 7.9827 8.4622 8.4622 8.5129 8.5129 8.7132 8.7132 8.9423 8.9423 9.5068 9.5068 9.6038 9.6038 10.8055 10.8055 k = 0.3750 0.2165 0.6124 ( 12114 PWs) bands (ev): -13.4865 -13.4865 -13.4006 -13.4006 -10.7448 -10.7448 -10.6482 -10.6482 -10.3842 -10.3842 -10.3765 -10.3765 -2.5404 -2.5404 -2.3669 -2.3669 -1.3726 -1.3726 -0.8882 -0.8882 -0.4451 -0.4451 -0.0918 -0.0918 1.8200 1.8200 1.9269 1.9269 2.2776 2.2776 2.2804 2.2804 3.1864 3.1864 3.2121 3.2121 3.5645 3.5645 3.6856 3.6856 3.9817 3.9817 4.1805 4.1805 4.4038 4.4038 4.8210 4.8210 7.2743 7.2743 7.7236 7.7236 7.9273 7.9273 7.9814 7.9814 8.4631 8.4631 8.5148 8.5148 8.7106 8.7106 8.9427 8.9427 9.5070 9.5070 9.6045 9.6045 10.8048 10.8048 k = 0.3750 0.2165 0.6124 ( 12114 PWs) bands (ev): -13.4865 -13.4865 -13.4006 -13.4006 -10.7448 -10.7448 -10.6482 -10.6482 -10.3842 -10.3842 -10.3765 -10.3765 -2.5404 -2.5404 -2.3669 -2.3669 -1.3726 -1.3726 -0.8882 -0.8882 -0.4451 -0.4451 -0.0918 -0.0918 1.8200 1.8200 1.9269 1.9269 2.2776 2.2776 2.2804 2.2804 3.1864 3.1864 3.2121 3.2121 3.5645 3.5645 3.6856 3.6856 3.9817 3.9817 4.1805 4.1805 4.4038 4.4038 4.8210 4.8210 7.2743 7.2743 7.7236 7.7236 7.9273 7.9273 7.9814 7.9814 8.4631 8.4631 8.5148 8.5148 8.7106 8.7106 8.9427 8.9427 9.5070 9.5070 9.6045 9.6045 10.8048 10.8048 k = 0.3656 0.2111 0.5971 ( 12114 PWs) bands (ev): -13.4929 -13.4929 -13.3943 -13.3943 -10.7514 -10.7514 -10.6417 -10.6417 -10.3840 -10.3840 -10.3759 -10.3759 -2.5454 -2.5454 -2.3560 -2.3560 -1.3857 -1.3857 -0.8689 -0.8689 -0.4641 -0.4641 -0.0916 -0.0916 1.8115 1.8115 1.9353 1.9353 2.2774 2.2774 2.2804 2.2804 3.1927 3.1927 3.2213 3.2213 3.5469 3.5469 3.6835 3.6835 3.9898 3.9898 4.2107 4.2107 4.3654 4.3654 4.8345 4.8345 7.2644 7.2644 7.7675 7.7675 7.8949 7.8949 7.9614 7.9614 8.4828 8.4828 8.5321 8.5321 8.6702 8.6702 8.9267 8.9267 9.5206 9.5206 9.6292 9.6292 10.8030 10.8030 k = 0.3563 0.2057 0.5818 ( 12098 PWs) bands (ev): -13.4996 -13.4996 -13.3876 -13.3876 -10.7581 -10.7581 -10.6347 -10.6347 -10.3839 -10.3839 -10.3754 -10.3754 -2.5505 -2.5505 -2.3451 -2.3451 -1.3980 -1.3980 -0.8504 -0.8504 -0.4821 -0.4821 -0.0924 -0.0924 1.8023 1.8023 1.9442 1.9442 2.2773 2.2773 2.2803 2.2803 3.1981 3.1981 3.2302 3.2302 3.5286 3.5286 3.6816 3.6816 3.9994 3.9994 4.2421 4.2421 4.3269 4.3269 4.8486 4.8486 7.2543 7.2543 7.8099 7.8099 7.8625 7.8625 7.9415 7.9415 8.5007 8.5007 8.5468 8.5468 8.6315 8.6315 8.9133 8.9133 9.5344 9.5344 9.6544 9.6544 10.8067 10.8067 k = 0.3469 0.2003 0.5664 ( 12086 PWs) bands (ev): -13.5068 -13.5068 -13.3806 -13.3806 -10.7648 -10.7648 -10.6275 -10.6275 -10.3837 -10.3837 -10.3750 -10.3750 -2.5557 -2.5557 -2.3341 -2.3341 -1.4095 -1.4095 -0.8331 -0.8331 -0.4987 -0.4987 -0.0942 -0.0942 1.7924 1.7924 1.9537 1.9537 2.2771 2.2771 2.2803 2.2803 3.2024 3.2024 3.2384 3.2384 3.5096 3.5096 3.6799 3.6799 4.0107 4.0107 4.2743 4.2743 4.2888 4.2888 4.8632 4.8632 7.2440 7.2440 7.8209 7.8209 7.8595 7.8595 7.9216 7.9216 8.5156 8.5156 8.5536 8.5536 8.5996 8.5996 8.9043 8.9043 9.5484 9.5484 9.6801 9.6801 10.8160 10.8160 k = 0.3375 0.1949 0.5511 ( 12102 PWs) bands (ev): -13.5142 -13.5142 -13.3733 -13.3733 -10.7716 -10.7716 -10.6199 -10.6199 -10.3835 -10.3835 -10.3746 -10.3746 -2.5610 -2.5610 -2.3231 -2.3231 -1.4200 -1.4200 -0.8178 -0.8178 -0.5132 -0.5132 -0.0970 -0.0970 1.7819 1.7819 1.9637 1.9637 2.2769 2.2769 2.2802 2.2802 3.2053 3.2053 3.2460 3.2460 3.4898 3.4898 3.6784 3.6784 4.0239 4.0239 4.2505 4.2505 4.3084 4.3084 4.8784 4.8784 7.2337 7.2337 7.7877 7.7877 7.8967 7.8967 7.9028 7.9028 8.5238 8.5238 8.5392 8.5392 8.5903 8.5903 8.9015 8.9015 9.5627 9.5627 9.7060 9.7060 10.8308 10.8308 k = 0.3281 0.1894 0.5358 ( 12102 PWs) bands (ev): -13.5220 -13.5220 -13.3657 -13.3657 -10.7784 -10.7784 -10.6120 -10.6120 -10.3834 -10.3834 -10.3744 -10.3744 -2.5664 -2.5664 -2.3121 -2.3121 -1.4296 -1.4296 -0.8052 -0.8052 -0.5250 -0.5250 -0.1007 -0.1007 1.7707 1.7707 1.9742 1.9742 2.2768 2.2768 2.2802 2.2802 3.2066 3.2066 3.2529 3.2529 3.4692 3.4692 3.6772 3.6772 4.0393 4.0393 4.2135 4.2135 4.3430 4.3430 4.8940 4.8940 7.2232 7.2232 7.7518 7.7518 7.8809 7.8809 7.9359 7.9359 8.5031 8.5031 8.5322 8.5322 8.5965 8.5965 8.9064 8.9064 9.5775 9.5775 9.7320 9.7320 10.8513 10.8513 k = 0.3187 0.1840 0.5205 ( 12090 PWs) bands (ev): -13.5301 -13.5301 -13.3578 -13.3578 -10.7852 -10.7852 -10.6039 -10.6039 -10.3833 -10.3833 -10.3742 -10.3742 -2.5719 -2.5719 -2.3012 -2.3012 -1.4381 -1.4381 -0.7961 -0.7961 -0.5332 -0.5332 -0.1054 -0.1054 1.7589 1.7589 1.9850 1.9850 2.2767 2.2767 2.2802 2.2802 3.2062 3.2062 3.2590 3.2590 3.4479 3.4479 3.6762 3.6762 4.0568 4.0568 4.1777 4.1777 4.3786 4.3786 4.9100 4.9100 7.2127 7.2127 7.7150 7.7150 7.8606 7.8606 7.9695 7.9695 8.4730 8.4730 8.5256 8.5256 8.6064 8.6064 8.9197 8.9197 9.5927 9.5927 9.7581 9.7581 10.8773 10.8773 k = 0.3094 0.1786 0.5052 ( 12096 PWs) bands (ev): -13.5384 -13.5384 -13.3498 -13.3498 -10.7918 -10.7918 -10.5955 -10.5955 -10.3831 -10.3831 -10.3741 -10.3741 -2.5774 -2.5774 -2.2903 -2.2903 -1.4456 -1.4456 -0.7912 -0.7912 -0.5372 -0.5372 -0.1110 -0.1110 1.7465 1.7465 1.9962 1.9962 2.2765 2.2765 2.2801 2.2801 3.2040 3.2040 3.2644 3.2644 3.4259 3.4259 3.6755 3.6755 4.0762 4.0762 4.1438 4.1438 4.4150 4.4150 4.9264 4.9264 7.2022 7.2022 7.6778 7.6778 7.8399 7.8399 7.9970 7.9970 8.4468 8.4468 8.5101 8.5101 8.6179 8.6179 8.9406 8.9406 9.6084 9.6084 9.7840 9.7840 10.9086 10.9086 k = 0.3000 0.1732 0.4899 ( 12110 PWs) bands (ev): -13.5470 -13.5470 -13.3415 -13.3415 -10.7985 -10.7985 -10.5869 -10.5869 -10.3830 -10.3830 -10.3741 -10.3741 -2.5829 -2.5829 -2.2795 -2.2795 -1.4520 -1.4520 -0.7912 -0.7912 -0.5367 -0.5367 -0.1175 -0.1175 1.7336 1.7336 2.0078 2.0078 2.2764 2.2764 2.2801 2.2801 3.1998 3.1998 3.2691 3.2691 3.4031 3.4031 3.6751 3.6751 4.0916 4.0916 4.1179 4.1179 4.4521 4.4521 4.9432 4.9432 7.1917 7.1917 7.6403 7.6403 7.8191 7.8191 8.0162 8.0162 8.4273 8.4273 8.4872 8.4872 8.6302 8.6302 8.9681 8.9681 9.6248 9.6248 9.8098 9.8098 10.9450 10.9450 k = 0.2906 0.1678 0.4746 ( 12098 PWs) bands (ev): -13.5558 -13.5558 -13.3330 -13.3330 -10.8050 -10.8050 -10.5781 -10.5781 -10.3830 -10.3830 -10.3741 -10.3741 -2.5885 -2.5885 -2.2687 -2.2687 -1.4573 -1.4573 -0.7959 -0.7959 -0.5319 -0.5319 -0.1248 -0.1248 1.7201 1.7201 2.0196 2.0196 2.2763 2.2763 2.2801 2.2801 3.1937 3.1937 3.2734 3.2734 3.3798 3.3798 3.6749 3.6749 4.0725 4.0725 4.1308 4.1308 4.4900 4.4900 4.9602 4.9602 7.1812 7.1812 7.6026 7.6026 7.7980 7.7980 8.0250 8.0250 8.4162 8.4162 8.4589 8.4589 8.6425 8.6425 9.0008 9.0008 9.6418 9.6418 9.8353 9.8353 10.9860 10.9860 k = 0.2812 0.1624 0.4593 ( 12092 PWs) bands (ev): -13.5647 -13.5647 -13.3244 -13.3244 -10.8113 -10.8113 -10.5692 -10.5692 -10.3829 -10.3829 -10.3741 -10.3741 -2.5939 -2.5939 -2.2580 -2.2580 -1.4614 -1.4614 -0.8047 -0.8047 -0.5234 -0.5234 -0.1331 -0.1331 1.7061 1.7061 2.0315 2.0315 2.2762 2.2762 2.2800 2.2800 3.1855 3.1855 3.2773 3.2773 3.3558 3.3558 3.6750 3.6750 4.0437 4.0437 4.1579 4.1579 4.5284 4.5284 4.9775 4.9775 7.1707 7.1707 7.5648 7.5648 7.7767 7.7767 8.0225 8.0225 8.4090 8.4090 8.4319 8.4319 8.6545 8.6545 9.0374 9.0374 9.6594 9.6594 9.8604 9.8604 11.0312 11.0312 k = 0.2719 0.1570 0.4440 ( 12098 PWs) bands (ev): -13.5739 -13.5739 -13.3157 -13.3157 -10.8176 -10.8176 -10.5602 -10.5602 -10.3829 -10.3829 -10.3742 -10.3742 -2.5994 -2.5994 -2.2473 -2.2473 -1.4643 -1.4643 -0.8168 -0.8168 -0.5123 -0.5123 -0.1422 -0.1422 1.6916 1.6916 2.0436 2.0436 2.2761 2.2761 2.2800 2.2800 3.1754 3.1754 3.2808 3.2808 3.3316 3.3316 3.6753 3.6753 4.0156 4.0156 4.1886 4.1886 4.5672 4.5672 4.9949 4.9949 7.1603 7.1603 7.5271 7.5271 7.7552 7.7552 8.0095 8.0095 8.3807 8.3807 8.4313 8.4313 8.6660 8.6660 9.0772 9.0772 9.6777 9.6777 9.8851 9.8851 11.0797 11.0797 k = 0.2625 0.1516 0.4287 ( 12094 PWs) bands (ev): -13.5831 -13.5831 -13.3069 -13.3069 -10.8236 -10.8236 -10.5510 -10.5510 -10.3829 -10.3829 -10.3743 -10.3743 -2.6047 -2.6047 -2.2366 -2.2366 -1.4662 -1.4662 -0.8315 -0.8315 -0.4996 -0.4996 -0.1521 -0.1521 1.6768 1.6768 2.0558 2.0558 2.2760 2.2760 2.2800 2.2800 3.1633 3.1633 3.2829 3.2829 3.3085 3.3085 3.6758 3.6758 3.9893 3.9893 4.2222 4.2222 4.6065 4.6065 5.0126 5.0126 7.1498 7.1498 7.4895 7.4895 7.7334 7.7334 7.9881 7.9881 8.3412 8.3412 8.4460 8.4460 8.6769 8.6769 9.1193 9.1193 9.6968 9.6968 9.9093 9.9093 11.1307 11.1307 k = 0.2531 0.1461 0.4134 ( 12096 PWs) bands (ev): -13.5924 -13.5924 -13.2980 -13.2980 -10.8295 -10.8295 -10.5418 -10.5418 -10.3829 -10.3829 -10.3744 -10.3744 -2.6099 -2.6099 -2.2257 -2.2257 -1.4669 -1.4669 -0.8481 -0.8481 -0.4859 -0.4859 -0.1628 -0.1628 1.6616 1.6616 2.0679 2.0679 2.2758 2.2758 2.2800 2.2800 3.1494 3.1494 3.2733 3.2733 3.2971 3.2971 3.6766 3.6766 3.9648 3.9648 4.2584 4.2584 4.6460 4.6460 5.0304 5.0304 7.1393 7.1393 7.4520 7.4520 7.7114 7.7114 7.9604 7.9604 8.2983 8.2983 8.4662 8.4662 8.6871 8.6871 9.1634 9.1634 9.7167 9.7167 9.9330 9.9330 11.1826 11.1826 k = 0.2437 0.1407 0.3980 ( 12096 PWs) bands (ev): -13.6017 -13.6017 -13.2891 -13.2891 -10.8353 -10.8353 -10.5326 -10.5326 -10.3830 -10.3830 -10.3745 -10.3745 -2.6150 -2.6150 -2.2148 -2.2148 -1.4665 -1.4665 -0.8660 -0.8660 -0.4722 -0.4722 -0.1743 -0.1743 1.6462 1.6462 2.0800 2.0800 2.2757 2.2757 2.2799 2.2799 3.1339 3.1339 3.2497 3.2497 3.3001 3.3001 3.6775 3.6775 3.9422 3.9422 4.2970 4.2970 4.6856 4.6856 5.0483 5.0483 7.1288 7.1288 7.4149 7.4149 7.6893 7.6893 7.9287 7.9287 8.2530 8.2530 8.4893 8.4893 8.6966 8.6966 9.2090 9.2090 9.7372 9.7372 9.9560 9.9560 11.2335 11.2335 k = 0.2344 0.1353 0.3827 ( 12090 PWs) bands (ev): -13.6111 -13.6111 -13.2802 -13.2802 -10.8408 -10.8408 -10.5234 -10.5234 -10.3830 -10.3830 -10.3746 -10.3746 -2.6199 -2.6199 -2.2037 -2.2037 -1.4650 -1.4650 -0.8848 -0.8848 -0.4588 -0.4588 -0.1865 -0.1865 1.6306 1.6306 2.0919 2.0919 2.2756 2.2756 2.2799 2.2799 3.1168 3.1168 3.2235 3.2235 3.3064 3.3064 3.6786 3.6786 3.9216 3.9216 4.3378 4.3378 4.7253 4.7253 5.0662 5.0662 7.1183 7.1183 7.3781 7.3781 7.6669 7.6669 7.8942 7.8942 8.2060 8.2060 8.5137 8.5137 8.7054 8.7054 9.2558 9.2558 9.7586 9.7586 9.9785 9.9785 11.2801 11.2803 k = 0.2250 0.1299 0.3674 ( 12104 PWs) bands (ev): -13.6205 -13.6205 -13.2714 -13.2714 -10.8462 -10.8462 -10.5142 -10.5142 -10.3831 -10.3831 -10.3747 -10.3747 -2.6246 -2.6246 -2.1923 -2.1923 -1.4624 -1.4624 -0.9044 -0.9044 -0.4463 -0.4463 -0.1994 -0.1994 1.6148 1.6148 2.1038 2.1038 2.2754 2.2754 2.2798 2.2798 3.0985 3.0985 3.1964 3.1964 3.3144 3.3144 3.6799 3.6799 3.9029 3.9029 4.3806 4.3806 4.7649 4.7649 5.0841 5.0841 7.1077 7.1077 7.3418 7.3418 7.6445 7.6445 7.8581 7.8581 8.1574 8.1574 8.5381 8.5381 8.7135 8.7135 9.3036 9.3036 9.7807 9.7807 10.0003 10.0003 11.3160 11.3165 k = 0.2156 0.1245 0.3521 ( 12098 PWs) bands (ev): -13.6298 -13.6298 -13.2626 -13.2626 -10.8513 -10.8513 -10.5051 -10.5051 -10.3832 -10.3832 -10.3748 -10.3748 -2.6291 -2.6291 -2.1807 -2.1807 -1.4589 -1.4589 -0.9244 -0.9244 -0.4350 -0.4350 -0.2129 -0.2129 1.5991 1.5991 2.1154 2.1154 2.2753 2.2753 2.2798 2.2798 3.0790 3.0790 3.1690 3.1690 3.3240 3.3240 3.6812 3.6812 3.8861 3.8861 4.4254 4.4254 4.8043 4.8043 5.1021 5.1021 7.0969 7.0969 7.3061 7.3061 7.6219 7.6219 7.8210 7.8210 8.1077 8.1077 8.5620 8.5620 8.7209 8.7209 9.3523 9.3523 9.8035 9.8035 10.0213 10.0213 11.3297 11.3325 k = 0.2062 0.1191 0.3368 ( 12074 PWs) bands (ev): -13.6390 -13.6390 -13.2539 -13.2539 -10.8562 -10.8562 -10.4961 -10.4961 -10.3833 -10.3833 -10.3749 -10.3749 -2.6333 -2.6333 -2.1688 -2.1688 -1.4544 -1.4544 -0.9448 -0.9448 -0.4250 -0.4250 -0.2271 -0.2271 1.5835 1.5835 2.1268 2.1268 2.2752 2.2752 2.2797 2.2797 3.0587 3.0587 3.1414 3.1414 3.3354 3.3354 3.6826 3.6826 3.8712 3.8712 4.4718 4.4718 4.8435 4.8435 5.1199 5.1199 7.0861 7.0861 7.2710 7.2710 7.5993 7.5993 7.7835 7.7835 8.0570 8.0570 8.5849 8.5849 8.7277 8.7277 9.4015 9.4015 9.8270 9.8270 10.0416 10.0416 11.3200 11.3363 k = 0.1969 0.1137 0.3215 ( 12070 PWs) bands (ev): -13.6481 -13.6481 -13.2453 -13.2453 -10.8610 -10.8610 -10.4873 -10.4873 -10.3835 -10.3835 -10.3750 -10.3750 -2.6372 -2.6372 -2.1566 -2.1566 -1.4490 -1.4490 -0.9654 -0.9654 -0.4167 -0.4167 -0.2418 -0.2418 1.5679 1.5679 2.1379 2.1379 2.2751 2.2751 2.2797 2.2797 3.0377 3.0377 3.1136 3.1136 3.3485 3.3485 3.6841 3.6841 3.8581 3.8581 4.5197 4.5197 4.8822 4.8822 5.1377 5.1377 7.0750 7.0750 7.2367 7.2367 7.5767 7.5767 7.7459 7.7459 8.0056 8.0056 8.6066 8.6066 8.7338 8.7338 9.4512 9.4512 9.8511 9.8511 10.0612 10.0612 11.3268 11.3398 k = 0.1875 0.1083 0.3062 ( 12086 PWs) bands (ev): -13.6570 -13.6570 -13.2369 -13.2369 -10.8655 -10.8655 -10.4786 -10.4786 -10.3836 -10.3836 -10.3750 -10.3750 -2.6409 -2.6409 -2.1439 -2.1439 -1.4428 -1.4428 -0.9861 -0.9861 -0.4101 -0.4101 -0.2569 -0.2569 1.5527 1.5527 2.1487 2.1487 2.2749 2.2749 2.2796 2.2796 3.0162 3.0162 3.0859 3.0859 3.3633 3.3633 3.6857 3.6857 3.8467 3.8467 4.5690 4.5690 4.9204 4.9204 5.1553 5.1553 7.0636 7.0636 7.2032 7.2032 7.5541 7.5541 7.7086 7.7086 7.9537 7.9537 8.6269 8.6269 8.7395 8.7395 9.5011 9.5011 9.8758 9.8758 10.0799 10.0799 11.3343 11.3358 k = 0.1781 0.1028 0.2909 ( 12094 PWs) bands (ev): -13.6658 -13.6658 -13.2286 -13.2286 -10.8698 -10.8698 -10.4701 -10.4701 -10.3836 -10.3836 -10.3750 -10.3750 -2.6442 -2.6442 -2.1309 -2.1309 -1.4358 -1.4358 -1.0069 -1.0069 -0.4053 -0.4053 -0.2725 -0.2725 1.5377 1.5377 2.1593 2.1593 2.2748 2.2748 2.2795 2.2795 2.9945 2.9945 3.0584 3.0584 3.3798 3.3798 3.6873 3.6873 3.8369 3.8369 4.6193 4.6193 4.9579 4.9579 5.1726 5.1726 7.0518 7.0518 7.1707 7.1707 7.5317 7.5317 7.6717 7.6717 7.9015 7.9015 8.6457 8.6457 8.7446 8.7446 9.5512 9.5512 9.9011 9.9011 10.0979 10.0979 11.3016 11.3016 k = 0.1688 0.0974 0.2756 ( 12096 PWs) bands (ev): -13.6743 -13.6743 -13.2206 -13.2206 -10.8740 -10.8740 -10.4618 -10.4618 -10.3837 -10.3837 -10.3750 -10.3750 -2.6472 -2.6472 -2.1175 -2.1175 -1.4282 -1.4282 -1.0277 -1.0277 -0.4023 -0.4023 -0.2883 -0.2883 1.5231 1.5231 2.1696 2.1696 2.2746 2.2746 2.2795 2.2795 2.9728 2.9728 3.0311 3.0311 3.3978 3.3978 3.6890 3.6890 3.8286 3.8286 4.6706 4.6706 4.9946 4.9946 5.1897 5.1897 7.0395 7.0395 7.1393 7.1393 7.5095 7.5095 7.6356 7.6356 7.8494 7.8494 8.6630 8.6630 8.7492 8.7492 9.6012 9.6012 9.9268 9.9268 10.1150 10.1150 11.2486 11.2486 k = 0.1594 0.0920 0.2603 ( 12082 PWs) bands (ev): -13.6826 -13.6826 -13.2129 -13.2129 -10.8779 -10.8779 -10.4538 -10.4538 -10.3837 -10.3837 -10.3750 -10.3750 -2.6500 -2.6500 -2.1037 -2.1037 -1.4199 -1.4199 -1.0485 -1.0485 -0.4011 -0.4011 -0.3043 -0.3043 1.5090 1.5090 2.1795 2.1795 2.2745 2.2745 2.2794 2.2794 2.9512 2.9512 3.0043 3.0043 3.4170 3.4170 3.6908 3.6908 3.8218 3.8218 4.7226 4.7226 5.0304 5.0304 5.2065 5.2065 7.0265 7.0265 7.1093 7.1093 7.4875 7.4875 7.6003 7.6003 7.7977 7.7977 8.6788 8.6788 8.7534 8.7534 9.6510 9.6510 9.9528 9.9528 10.1313 10.1313 11.1854 11.1854 k = 0.1500 0.0866 0.2449 ( 12070 PWs) bands (ev): -13.6905 -13.6905 -13.2054 -13.2054 -10.8816 -10.8816 -10.4461 -10.4461 -10.3837 -10.3837 -10.3750 -10.3750 -2.6524 -2.6524 -2.0895 -2.0895 -1.4112 -1.4112 -1.0692 -1.0692 -0.4016 -0.4016 -0.3203 -0.3203 1.4955 1.4955 2.1891 2.1891 2.2744 2.2744 2.2793 2.2793 2.9300 2.9300 2.9780 2.9780 3.4373 3.4373 3.6930 3.6930 3.8162 3.8162 4.7751 4.7751 5.0652 5.0652 5.2230 5.2230 7.0127 7.0127 7.0807 7.0807 7.4659 7.4659 7.5660 7.5660 7.7466 7.7466 8.6932 8.6932 8.7572 8.7572 9.7004 9.7004 9.9790 9.9790 10.1467 10.1467 11.1158 11.1158 k = 0.1406 0.0812 0.2296 ( 12070 PWs) bands (ev): -13.6982 -13.6982 -13.1982 -13.1982 -10.8850 -10.8850 -10.4388 -10.4388 -10.3837 -10.3837 -10.3750 -10.3750 -2.6545 -2.6545 -2.0750 -2.0750 -1.4021 -1.4021 -1.0898 -1.0898 -0.4037 -0.4037 -0.3364 -0.3364 1.4825 1.4825 2.1984 2.1984 2.2742 2.2742 2.2792 2.2792 2.9093 2.9093 2.9524 2.9524 3.4583 3.4583 3.6955 3.6955 3.8119 3.8119 4.8278 4.8278 5.0988 5.0988 5.2389 5.2389 6.9976 6.9976 7.0539 7.0539 7.4447 7.4447 7.5330 7.5330 7.6965 7.6965 8.7062 8.7062 8.7607 8.7607 9.7493 9.7493 10.0053 10.0053 10.1612 10.1612 11.0425 11.0425 k = 0.1313 0.0758 0.2143 ( 12066 PWs) bands (ev): -13.7055 -13.7055 -13.1913 -13.1913 -10.8883 -10.8883 -10.4318 -10.4318 -10.3836 -10.3836 -10.3750 -10.3750 -2.6563 -2.6563 -2.0601 -2.0601 -1.3926 -1.3926 -1.1101 -1.1101 -0.4072 -0.4072 -0.3522 -0.3522 1.4702 1.4702 2.2073 2.2073 2.2741 2.2741 2.2791 2.2791 2.8892 2.8892 2.9277 2.9277 3.4794 3.4794 3.6986 3.6986 3.8086 3.8086 4.8804 4.8804 5.1311 5.1311 5.2544 5.2544 6.9812 6.9812 7.0291 7.0291 7.4240 7.4240 7.5013 7.5013 7.6479 7.6479 8.7179 8.7179 8.7639 8.7639 9.7973 9.7973 10.0315 10.0315 10.1749 10.1749 10.9676 10.9676 k = 0.1219 0.0704 0.1990 ( 12078 PWs) bands (ev): -13.7124 -13.7124 -13.1848 -13.1848 -10.8914 -10.8914 -10.4252 -10.4252 -10.3835 -10.3835 -10.3749 -10.3749 -2.6579 -2.6579 -2.0451 -2.0451 -1.3830 -1.3830 -1.1302 -1.1302 -0.4120 -0.4120 -0.3678 -0.3678 1.4586 1.4586 2.2158 2.2158 2.2740 2.2740 2.2790 2.2790 2.8700 2.8700 2.9039 2.9039 3.5002 3.5002 3.7025 3.7025 3.8061 3.8061 4.9327 4.9327 5.1619 5.1619 5.2693 5.2693 6.9633 6.9633 7.0064 7.0064 7.4039 7.4039 7.4710 7.4710 7.6011 7.6011 8.7284 8.7284 8.7667 8.7667 9.8442 9.8442 10.0574 10.0574 10.1877 10.1877 10.8926 10.8926 k = 0.1125 0.0650 0.1837 ( 12066 PWs) bands (ev): -13.7190 -13.7190 -13.1787 -13.1787 -10.8942 -10.8942 -10.4190 -10.4190 -10.3833 -10.3833 -10.3749 -10.3749 -2.6591 -2.6591 -2.0299 -2.0299 -1.3734 -1.3734 -1.1499 -1.1499 -0.4179 -0.4179 -0.3829 -0.3829 1.4477 1.4477 2.2238 2.2238 2.2739 2.2739 2.2789 2.2789 2.8517 2.8517 2.8812 2.8812 3.5202 3.5202 3.7074 3.7074 3.8044 3.8044 4.9844 4.9844 5.1912 5.1912 5.2836 5.2836 6.9443 6.9443 6.9853 6.9853 7.3845 7.3845 7.4423 7.4423 7.5568 7.5568 8.7377 8.7377 8.7694 8.7694 9.8899 9.8899 10.0828 10.0828 10.1996 10.1996 10.8189 10.8189 k = 0.1031 0.0595 0.1684 ( 12080 PWs) bands (ev): -13.7251 -13.7251 -13.1730 -13.1730 -10.8968 -10.8968 -10.4134 -10.4134 -10.3830 -10.3830 -10.3748 -10.3748 -2.6602 -2.6602 -2.0147 -2.0147 -1.3637 -1.3637 -1.1692 -1.1692 -0.4246 -0.4246 -0.3974 -0.3974 1.4376 1.4376 2.2314 2.2314 2.2738 2.2738 2.2788 2.2788 2.8344 2.8344 2.8598 2.8598 3.5387 3.5387 3.7137 3.7137 3.8034 3.8034 5.0350 5.0350 5.2188 5.2188 5.2972 5.2972 6.9248 6.9248 6.9653 6.9653 7.3657 7.3657 7.4151 7.4151 7.5153 7.5153 8.7460 8.7460 8.7718 8.7718 9.9340 9.9340 10.1075 10.1075 10.2106 10.2106 10.7475 10.7475 k = 0.0938 0.0541 0.1531 ( 12090 PWs) bands (ev): -13.7307 -13.7307 -13.1677 -13.1677 -10.8992 -10.8992 -10.4082 -10.4082 -10.3827 -10.3827 -10.3748 -10.3748 -2.6610 -2.6610 -1.9996 -1.9996 -1.3543 -1.3543 -1.1879 -1.1879 -0.4319 -0.4319 -0.4112 -0.4112 1.4283 1.4283 2.2385 2.2385 2.2737 2.2737 2.2787 2.2787 2.8183 2.8183 2.8397 2.8397 3.5552 3.5552 3.7214 3.7214 3.8028 3.8028 5.0841 5.0841 5.2445 5.2445 5.3099 5.3099 6.9057 6.9057 6.9457 6.9457 7.3479 7.3479 7.3896 7.3896 7.4773 7.4773 8.7533 8.7533 8.7739 8.7739 9.9762 9.9762 10.1312 10.1312 10.2208 10.2208 10.6793 10.6793 k = 0.0844 0.0487 0.1378 ( 12084 PWs) bands (ev): -13.7359 -13.7359 -13.1628 -13.1628 -10.9014 -10.9014 -10.4037 -10.4037 -10.3822 -10.3822 -10.3747 -10.3747 -2.6616 -2.6616 -1.9848 -1.9848 -1.3452 -1.3452 -1.2059 -1.2059 -0.4395 -0.4395 -0.4242 -0.4242 1.4199 1.4199 2.2450 2.2450 2.2737 2.2737 2.2786 2.2786 2.8035 2.8035 2.8212 2.8212 3.5694 3.5694 3.7307 3.7307 3.8026 3.8026 5.1313 5.1313 5.2682 5.2682 5.3218 5.3218 6.8873 6.8873 6.9262 6.9262 7.3310 7.3310 7.3657 7.3657 7.4433 7.4433 8.7596 8.7596 8.7759 8.7759 10.0163 10.0163 10.1536 10.1536 10.2301 10.2301 10.6150 10.6150 k = 0.0750 0.0433 0.1225 ( 12094 PWs) bands (ev): -13.7406 -13.7406 -13.1584 -13.1584 -10.9034 -10.9034 -10.3997 -10.3997 -10.3815 -10.3815 -10.3746 -10.3746 -2.6621 -2.6621 -1.9705 -1.9705 -1.3365 -1.3365 -1.2229 -1.2229 -0.4472 -0.4472 -0.4362 -0.4362 1.4123 1.4123 2.2509 2.2509 2.2737 2.2737 2.2785 2.2785 2.7900 2.7900 2.8042 2.8042 3.5811 3.5811 3.7413 3.7413 3.8027 3.8027 5.1761 5.1761 5.2898 5.2898 5.3328 5.3328 6.8703 6.8703 6.9065 6.9065 7.3152 7.3152 7.3433 7.3433 7.4135 7.4135 8.7651 8.7651 8.7776 8.7776 10.0540 10.0540 10.1744 10.1744 10.2386 10.2386 10.5553 10.5553 k = 0.0656 0.0379 0.1072 ( 12080 PWs) bands (ev): -13.7448 -13.7448 -13.1545 -13.1545 -10.9051 -10.9051 -10.3965 -10.3965 -10.3807 -10.3807 -10.3746 -10.3746 -2.6624 -2.6624 -1.9570 -1.9570 -1.3284 -1.3284 -1.2389 -1.2389 -0.4547 -0.4547 -0.4471 -0.4471 1.4056 1.4056 2.2561 2.2561 2.2738 2.2738 2.2784 2.2784 2.7779 2.7779 2.7890 2.7890 3.5903 3.5903 3.7527 3.7527 3.8030 3.8030 5.2179 5.2179 5.3092 5.3092 5.3428 5.3428 6.8547 6.8547 6.8870 6.8870 7.3007 7.3007 7.3227 7.3227 7.3884 7.3884 8.7699 8.7699 8.7792 8.7792 10.0890 10.0890 10.1934 10.1934 10.2463 10.2463 10.5007 10.5007 k = 0.0563 0.0325 0.0919 ( 12076 PWs) bands (ev): -13.7485 -13.7485 -13.1510 -13.1510 -10.9066 -10.9066 -10.3940 -10.3940 -10.3796 -10.3796 -10.3745 -10.3745 -2.6627 -2.6627 -1.9444 -1.9444 -1.3211 -1.3211 -1.2535 -1.2535 -0.4619 -0.4619 -0.4567 -0.4567 1.3997 1.3997 2.2606 2.2606 2.2741 2.2741 2.2784 2.2784 2.7673 2.7673 2.7756 2.7756 3.5975 3.5975 3.7643 3.7643 3.8034 3.8034 5.2560 5.2560 5.3262 5.3262 5.3518 5.3518 6.8409 6.8409 6.8680 6.8680 7.2876 7.2876 7.3041 7.3041 7.3676 7.3676 8.7738 8.7738 8.7805 8.7805 10.1212 10.1212 10.2102 10.2102 10.2534 10.2534 10.4515 10.4515 k = 0.0469 0.0271 0.0765 ( 12064 PWs) bands (ev): -13.7516 -13.7516 -13.1481 -13.1481 -10.9079 -10.9079 -10.3921 -10.3921 -10.3784 -10.3784 -10.3745 -10.3745 -2.6628 -2.6628 -1.9330 -1.9330 -1.3146 -1.3146 -1.2666 -1.2666 -0.4684 -0.4684 -0.4651 -0.4651 1.3948 1.3948 2.2642 2.2642 2.2745 2.2745 2.2783 2.2783 2.7583 2.7583 2.7641 2.7641 3.6028 3.6028 3.7754 3.7754 3.8038 3.8038 5.2897 5.2897 5.3407 5.3407 5.3598 5.3598 6.8290 6.8290 6.8501 6.8501 7.2762 7.2762 7.2877 7.2877 7.3508 7.3508 8.7771 8.7771 8.7817 8.7817 10.1503 10.1503 10.2244 10.2244 10.2598 10.2598 10.4079 10.4079 k = 0.0375 0.0217 0.0612 ( 12058 PWs) bands (ev): -13.7542 -13.7542 -13.1457 -13.1457 -10.9089 -10.9089 -10.3908 -10.3908 -10.3771 -10.3771 -10.3744 -10.3744 -2.6629 -2.6629 -1.9232 -1.9232 -1.3091 -1.3091 -1.2778 -1.2778 -0.4740 -0.4740 -0.4721 -0.4721 1.3907 1.3907 2.2668 2.2668 2.2752 2.2752 2.2783 2.2783 2.7508 2.7508 2.7546 2.7546 3.6068 3.6068 3.7854 3.7854 3.8042 3.8042 5.3182 5.3182 5.3529 5.3529 5.3667 5.3667 6.8192 6.8192 6.8339 6.8339 7.2666 7.2666 7.2740 7.2740 7.3378 7.3378 8.7798 8.7798 8.7826 8.7826 10.1764 10.1764 10.2358 10.2358 10.2656 10.2656 10.3701 10.3701 k = 0.0281 0.0162 0.0459 ( 12044 PWs) bands (ev): -13.7562 -13.7562 -13.1438 -13.1438 -10.9097 -10.9097 -10.3900 -10.3900 -10.3760 -10.3760 -10.3744 -10.3744 -2.6629 -2.6629 -1.9152 -1.9152 -1.3047 -1.3047 -1.2868 -1.2868 -0.4786 -0.4786 -0.4776 -0.4776 1.3876 1.3876 2.2685 2.2685 2.2762 2.2762 2.2782 2.2782 2.7450 2.7450 2.7471 2.7471 3.6096 3.6096 3.7937 3.7937 3.8046 3.8046 5.3402 5.3402 5.3629 5.3629 5.3726 5.3726 6.8114 6.8114 6.8203 6.8203 7.2590 7.2590 7.2632 7.2632 7.3280 7.3280 8.7818 8.7818 8.7834 8.7834 10.1997 10.1997 10.2442 10.2442 10.2706 10.2706 10.3380 10.3380 k = 0.0187 0.0108 0.0306 ( 12044 PWs) bands (ev): -13.7576 -13.7576 -13.1425 -13.1425 -10.9103 -10.9103 -10.3895 -10.3895 -10.3751 -10.3751 -10.3744 -10.3744 -2.6629 -2.6629 -1.9093 -1.9093 -1.3015 -1.3015 -1.2935 -1.2935 -0.4819 -0.4819 -0.4815 -0.4815 1.3853 1.3853 2.2694 2.2694 2.2772 2.2772 2.2782 2.2782 2.7408 2.7408 2.7417 2.7417 3.6114 3.6114 3.8000 3.8000 3.8049 3.8049 5.3546 5.3546 5.3716 5.3716 5.3772 5.3772 6.8058 6.8058 6.8099 6.8099 7.2535 7.2535 7.2553 7.2553 7.3212 7.3212 8.7832 8.7832 8.7839 8.7839 10.2206 10.2206 10.2498 10.2498 10.2738 10.2738 10.3116 10.3116 k = 0.0094 0.0054 0.0153 ( 12040 PWs) bands (ev): -13.7585 -13.7585 -13.1417 -13.1417 -10.9107 -10.9107 -10.3892 -10.3892 -10.3746 -10.3746 -10.3744 -10.3744 -2.6629 -2.6629 -1.9056 -1.9056 -1.2996 -1.2996 -1.2975 -1.2975 -0.4840 -0.4840 -0.4839 -0.4839 1.3840 1.3840 2.2698 2.2698 2.2779 2.2779 2.2782 2.2782 2.7383 2.7383 2.7385 2.7385 3.6125 3.6125 3.8038 3.8038 3.8051 3.8051 5.3616 5.3616 5.3785 5.3785 5.3801 5.3801 6.8024 6.8024 6.8034 6.8034 7.2502 7.2502 7.2506 7.2506 7.3172 7.3172 8.7841 8.7841 8.7842 8.7842 10.2397 10.2397 10.2530 10.2530 10.2720 10.2720 10.2932 10.2932 k = 0.0000 0.0000 0.0000 ( 12039 PWs) bands (ev): -13.7588 -13.7588 -13.1414 -13.1414 -10.9108 -10.9108 -10.3891 -10.3891 -10.3744 -10.3744 -10.3744 -10.3744 -2.6629 -2.6629 -1.9044 -1.9044 -1.2989 -1.2989 -1.2989 -1.2989 -0.4847 -0.4847 -0.4847 -0.4847 1.3835 1.3835 2.2699 2.2699 2.2782 2.2782 2.2782 2.2782 2.7374 2.7374 2.7374 2.7374 3.6128 3.6128 3.8051 3.8051 3.8052 3.8052 5.3636 5.3636 5.3811 5.3811 5.3812 5.3812 6.8012 6.8012 6.8012 6.8012 7.2491 7.2491 7.2491 7.2491 7.3159 7.3159 8.7843 8.7843 8.7843 8.7843 10.2540 10.2540 10.2541 10.2541 10.2625 10.2625 10.2881 10.2881 k = 0.0000 0.0000 0.0000 ( 12039 PWs) bands (ev): -13.7588 -13.7588 -13.1414 -13.1414 -10.9108 -10.9108 -10.3891 -10.3891 -10.3744 -10.3744 -10.3744 -10.3744 -2.6629 -2.6629 -1.9044 -1.9044 -1.2989 -1.2989 -1.2989 -1.2989 -0.4847 -0.4847 -0.4847 -0.4847 1.3835 1.3835 2.2699 2.2699 2.2782 2.2782 2.2782 2.2782 2.7374 2.7374 2.7374 2.7374 3.6128 3.6128 3.8051 3.8051 3.8052 3.8052 5.3636 5.3636 5.3811 5.3811 5.3812 5.3812 6.8012 6.8012 6.8012 6.8012 7.2491 7.2491 7.2491 7.2491 7.3159 7.3159 8.7843 8.7843 8.7843 8.7843 10.2540 10.2540 10.2541 10.2541 10.2625 10.2625 10.2881 10.2881 k = 0.0152 0.0087 0.0062 ( 12042 PWs) bands (ev): -13.7585 -13.7585 -13.1417 -13.1417 -10.9107 -10.9107 -10.3892 -10.3892 -10.3746 -10.3746 -10.3744 -10.3744 -2.6629 -2.6629 -1.9056 -1.9056 -1.2996 -1.2996 -1.2975 -1.2975 -0.4840 -0.4840 -0.4839 -0.4839 1.3840 1.3840 2.2698 2.2698 2.2779 2.2779 2.2782 2.2782 2.7383 2.7383 2.7384 2.7384 3.6125 3.6125 3.8039 3.8039 3.8050 3.8050 5.3617 5.3617 5.3784 5.3784 5.3803 5.3803 6.8026 6.8026 6.8031 6.8031 7.2503 7.2503 7.2505 7.2505 7.3172 7.3172 8.7841 8.7841 8.7842 8.7842 10.2397 10.2397 10.2532 10.2532 10.2720 10.2720 10.2930 10.2930 k = 0.0303 0.0175 0.0124 ( 12042 PWs) bands (ev): -13.7576 -13.7576 -13.1425 -13.1425 -10.9103 -10.9103 -10.3895 -10.3895 -10.3751 -10.3751 -10.3744 -10.3744 -2.6629 -2.6629 -1.9092 -1.9092 -1.3018 -1.3018 -1.2933 -1.2933 -0.4820 -0.4820 -0.4816 -0.4816 1.3853 1.3853 2.2694 2.2694 2.2772 2.2772 2.2782 2.2782 2.7410 2.7410 2.7414 2.7414 3.6115 3.6115 3.8002 3.8002 3.8047 3.8047 5.3550 5.3550 5.3702 5.3702 5.3787 5.3787 6.8067 6.8067 6.8087 6.8087 7.2539 7.2539 7.2548 7.2548 7.3211 7.3211 8.7835 8.7835 8.7837 8.7837 10.2202 10.2202 10.2507 10.2507 10.2743 10.2743 10.3107 10.3107 k = 0.0455 0.0262 0.0186 ( 12042 PWs) bands (ev): -13.7562 -13.7562 -13.1438 -13.1438 -10.9097 -10.9097 -10.3900 -10.3900 -10.3760 -10.3760 -10.3744 -10.3744 -2.6629 -2.6629 -1.9149 -1.9149 -1.3053 -1.3053 -1.2864 -1.2864 -0.4787 -0.4787 -0.4777 -0.4777 1.3875 1.3875 2.2685 2.2685 2.2762 2.2762 2.2782 2.2782 2.7455 2.7455 2.7463 2.7463 3.6097 3.6097 3.7943 3.7943 3.8042 3.8042 5.3426 5.3426 5.3567 5.3567 5.3775 5.3775 6.8132 6.8132 6.8177 6.8177 7.2599 7.2599 7.2620 7.2620 7.3277 7.3277 8.7824 8.7824 8.7829 8.7829 10.1982 10.1982 10.2466 10.2466 10.2714 10.2714 10.3364 10.3364 k = 0.0606 0.0350 0.0247 ( 12059 PWs) bands (ev): -13.7543 -13.7543 -13.1456 -13.1456 -10.9090 -10.9090 -10.3908 -10.3908 -10.3771 -10.3771 -10.3744 -10.3744 -2.6629 -2.6629 -1.9227 -1.9227 -1.3102 -1.3102 -1.2770 -1.2770 -0.4743 -0.4743 -0.4723 -0.4723 1.3906 1.3906 2.2670 2.2670 2.2752 2.2752 2.2782 2.2782 2.7517 2.7517 2.7531 2.7531 3.6071 3.6071 3.7863 3.7863 3.8035 3.8035 5.3245 5.3245 5.3382 5.3382 5.3769 5.3769 6.8218 6.8218 6.8298 6.8298 7.2682 7.2682 7.2722 7.2722 7.3371 7.3371 8.7808 8.7808 8.7817 8.7817 10.1732 10.1732 10.2409 10.2409 10.2662 10.2662 10.3679 10.3679 k = 0.0758 0.0437 0.0309 ( 12068 PWs) bands (ev): -13.7518 -13.7518 -13.1480 -13.1480 -10.9079 -10.9079 -10.3920 -10.3920 -10.3784 -10.3784 -10.3744 -10.3744 -2.6628 -2.6628 -1.9323 -1.9323 -1.3162 -1.3162 -1.2654 -1.2654 -0.4687 -0.4687 -0.4656 -0.4656 1.3946 1.3946 2.2644 2.2644 2.2745 2.2745 2.2783 2.2783 2.7597 2.7597 2.7618 2.7618 3.6035 3.6035 3.7767 3.7767 3.8027 3.8027 5.3015 5.3015 5.3151 5.3151 5.3767 5.3767 6.8320 6.8320 6.8444 6.8444 7.2788 7.2788 7.2856 7.2856 7.3494 7.3494 8.7788 8.7788 8.7802 8.7802 10.1448 10.1448 10.2337 10.2337 10.2594 10.2594 10.4050 10.4050 k = 0.0909 0.0525 0.0371 ( 12074 PWs) bands (ev): -13.7487 -13.7487 -13.1508 -13.1508 -10.9067 -10.9067 -10.3938 -10.3938 -10.3796 -10.3796 -10.3745 -10.3745 -2.6627 -2.6627 -1.9432 -1.9432 -1.3235 -1.3235 -1.2519 -1.2519 -0.4623 -0.4623 -0.4576 -0.4576 1.3994 1.3994 2.2610 2.2610 2.2740 2.2740 2.2783 2.2783 2.7693 2.7693 2.7724 2.7724 3.5987 3.5987 3.7660 3.7660 3.8016 3.8016 5.2741 5.2741 5.2877 5.2877 5.3766 5.3766 6.8433 6.8433 6.8610 6.8610 7.2916 7.2916 7.3021 7.3021 7.3646 7.3646 8.7762 8.7762 8.7783 8.7783 10.1129 10.1129 10.2250 10.2250 10.2512 10.2512 10.4479 10.4479 k = 0.1061 0.0612 0.0433 ( 12074 PWs) bands (ev): -13.7451 -13.7451 -13.1542 -13.1542 -10.9053 -10.9053 -10.3963 -10.3963 -10.3806 -10.3806 -10.3745 -10.3745 -2.6625 -2.6625 -1.9553 -1.9553 -1.3317 -1.3317 -1.2367 -1.2367 -0.4552 -0.4552 -0.4484 -0.4484 1.4052 1.4052 2.2567 2.2567 2.2738 2.2738 2.2784 2.2784 2.7806 2.7806 2.7847 2.7847 3.5926 3.5926 3.7545 3.7545 3.8005 3.8005 5.2428 5.2428 5.2566 5.2566 5.3767 5.3767 6.8554 6.8554 6.8788 6.8788 7.3069 7.3069 7.3218 7.3218 7.3829 7.3829 8.7732 8.7732 8.7760 8.7760 10.0775 10.0775 10.2149 10.2149 10.2417 10.2417 10.4963 10.4963 k = 0.1212 0.0700 0.0495 ( 12086 PWs) bands (ev): -13.7410 -13.7410 -13.1580 -13.1580 -10.9036 -10.9036 -10.3994 -10.3994 -10.3815 -10.3815 -10.3745 -10.3745 -2.6622 -2.6622 -1.9683 -1.9683 -1.3408 -1.3408 -1.2200 -1.2200 -0.4477 -0.4477 -0.4382 -0.4382 1.4117 1.4117 2.2516 2.2516 2.2736 2.2736 2.2785 2.2785 2.7934 2.7934 2.7988 2.7988 3.5848 3.5848 3.7430 3.7430 3.7992 3.7992 5.2081 5.2081 5.2222 5.2222 5.3769 5.3769 6.8676 6.8676 6.8974 6.8974 7.3246 7.3246 7.3447 7.3447 7.4041 7.4041 8.7696 8.7696 8.7732 8.7732 10.0389 10.0389 10.2036 10.2036 10.2311 10.2311 10.5501 10.5501 k = 0.1364 0.0787 0.0557 ( 12074 PWs) bands (ev): -13.7365 -13.7365 -13.1623 -13.1623 -10.9017 -10.9017 -10.4031 -10.4031 -10.3822 -10.3822 -10.3746 -10.3746 -2.6618 -2.6618 -1.9818 -1.9818 -1.3506 -1.3506 -1.2022 -1.2022 -0.4399 -0.4399 -0.4271 -0.4271 1.4192 1.4192 2.2459 2.2459 2.2736 2.2736 2.2785 2.2785 2.8077 2.8077 2.8144 2.8144 3.5752 3.5752 3.7321 3.7321 3.7978 3.7978 5.1705 5.1705 5.1849 5.1849 5.3771 5.3771 6.8797 6.8797 6.9161 6.9161 7.3448 7.3448 7.3708 7.3708 7.4283 7.4283 8.7654 8.7654 8.7700 8.7700 9.9972 9.9972 10.1912 10.1912 10.2194 10.2194 10.6088 10.6088 k = 0.1515 0.0875 0.0619 ( 12068 PWs) bands (ev): -13.7314 -13.7314 -13.1670 -13.1670 -10.8997 -10.8997 -10.4075 -10.4075 -10.3827 -10.3827 -10.3746 -10.3746 -2.6613 -2.6613 -1.9957 -1.9957 -1.3611 -1.3611 -1.1833 -1.1833 -0.4321 -0.4321 -0.4152 -0.4152 1.4274 1.4274 2.2396 2.2396 2.2736 2.2736 2.2786 2.2786 2.8235 2.8235 2.8316 2.8316 3.5637 3.5637 3.7222 3.7222 3.7964 3.7964 5.1304 5.1304 5.1451 5.1451 5.3773 5.3773 6.8914 6.8914 6.9344 6.9344 7.3678 7.3678 7.3999 7.3999 7.4552 7.4552 8.7606 8.7606 8.7662 8.7662 9.9529 9.9529 10.1778 10.1778 10.2069 10.2069 10.6718 10.6718 k = 0.1667 0.0962 0.0680 ( 12059 PWs) bands (ev): -13.7259 -13.7259 -13.1722 -13.1722 -10.8975 -10.8975 -10.4123 -10.4123 -10.3831 -10.3831 -10.3747 -10.3747 -2.6606 -2.6606 -2.0097 -2.0097 -1.3721 -1.3721 -1.1637 -1.1637 -0.4246 -0.4246 -0.4027 -0.4027 1.4364 1.4364 2.2328 2.2328 2.2736 2.2736 2.2787 2.2787 2.8406 2.8406 2.8502 2.8502 3.5504 3.5504 3.7137 3.7137 3.7950 3.7950 5.0883 5.0883 5.1032 5.1032 5.3776 5.3776 6.9025 6.9025 6.9519 6.9519 7.3935 7.3935 7.4319 7.4319 7.4848 7.4848 8.7551 8.7551 8.7619 8.7619 9.9063 9.9063 10.1634 10.1634 10.1935 10.1935 10.7385 10.7385 k = 0.1818 0.1050 0.0742 ( 12071 PWs) bands (ev): -13.7200 -13.7200 -13.1777 -13.1777 -10.8951 -10.8951 -10.4176 -10.4176 -10.3834 -10.3834 -10.3747 -10.3747 -2.6598 -2.6598 -2.0236 -2.0236 -1.3834 -1.3834 -1.1434 -1.1434 -0.4177 -0.4177 -0.3897 -0.3897 1.4461 1.4461 2.2256 2.2256 2.2737 2.2737 2.2788 2.2788 2.8589 2.8589 2.8702 2.8702 3.5354 3.5354 3.7068 3.7068 3.7936 3.7936 5.0445 5.0445 5.0597 5.0597 5.3780 5.3780 6.9128 6.9128 6.9683 6.9683 7.4219 7.4219 7.4665 7.4665 7.5167 7.5167 8.7489 8.7489 8.7570 8.7570 9.8575 9.8575 10.1483 10.1483 10.1795 10.1795 10.8080 10.8080 k = 0.1970 0.1137 0.0804 ( 12065 PWs) bands (ev): -13.7137 -13.7137 -13.1836 -13.1836 -10.8925 -10.8925 -10.4232 -10.4232 -10.3837 -10.3837 -10.3748 -10.3748 -2.6588 -2.6588 -2.0372 -2.0372 -1.3950 -1.3950 -1.1225 -1.1225 -0.4115 -0.4115 -0.3764 -0.3764 1.4565 1.4565 2.2179 2.2179 2.2737 2.2737 2.2789 2.2789 2.8784 2.8784 2.8913 2.8913 3.5194 3.5194 3.7013 3.7013 3.7923 3.7923 4.9993 4.9993 5.0147 5.0147 5.3783 5.3783 6.9224 6.9224 6.9834 6.9835 7.4530 7.4530 7.5033 7.5033 7.5510 7.5510 8.7419 8.7419 8.7514 8.7514 9.8070 9.8070 10.1326 10.1326 10.1650 10.1650 10.8793 10.8793 k = 0.2121 0.1225 0.0866 ( 12077 PWs) bands (ev): -13.7071 -13.7071 -13.1898 -13.1898 -10.8898 -10.8898 -10.4292 -10.4292 -10.3839 -10.3839 -10.3748 -10.3748 -2.6577 -2.6577 -2.0505 -2.0505 -1.4067 -1.4067 -1.1012 -1.1012 -0.4064 -0.4064 -0.3628 -0.3628 1.4675 1.4675 2.2098 2.2098 2.2738 2.2738 2.2790 2.2790 2.8989 2.8989 2.9135 2.9135 3.5026 3.5026 3.6973 3.6973 3.7911 3.7911 4.9531 4.9531 4.9688 4.9688 5.3787 5.3787 6.9311 6.9311 6.9972 6.9972 7.4865 7.4865 7.5422 7.5422 7.5873 7.5873 8.7341 8.7341 8.7451 8.7451 9.7548 9.7548 10.1165 10.1165 10.1501 10.1501 10.9513 10.9513 k = 0.2273 0.1312 0.0928 ( 12089 PWs) bands (ev): -13.7001 -13.7001 -13.1964 -13.1964 -10.8869 -10.8869 -10.4354 -10.4354 -10.3841 -10.3841 -10.3749 -10.3749 -2.6565 -2.6565 -2.0632 -2.0632 -1.4184 -1.4184 -1.0795 -1.0795 -0.4025 -0.4025 -0.3490 -0.3490 1.4790 1.4790 2.2014 2.2014 2.2739 2.2739 2.2791 2.2791 2.9203 2.9203 2.9367 2.9367 3.4858 3.4858 3.6946 3.6946 3.7901 3.7901 4.9062 4.9062 4.9220 4.9220 5.3791 5.3791 6.9391 6.9391 7.0096 7.0096 7.5224 7.5224 7.5828 7.5828 7.6255 7.6255 8.7253 8.7253 8.7379 8.7379 9.7013 9.7013 10.1000 10.1000 10.1350 10.1350 11.0227 11.0227 k = 0.2424 0.1400 0.0990 ( 12089 PWs) bands (ev): -13.6929 -13.6929 -13.2032 -13.2032 -10.8839 -10.8839 -10.4419 -10.4419 -10.3843 -10.3843 -10.3749 -10.3749 -2.6551 -2.6551 -2.0753 -2.0753 -1.4300 -1.4300 -1.0575 -1.0575 -0.4000 -0.4000 -0.3353 -0.3353 1.4908 1.4908 2.1927 2.1927 2.2740 2.2740 2.2792 2.2792 2.9423 2.9423 2.9606 2.9606 3.4693 3.4693 3.6930 3.6930 3.7893 3.7893 4.8588 4.8588 4.8748 4.8748 5.3795 5.3795 6.9465 6.9465 7.0207 7.0207 7.5603 7.5603 7.6248 7.6248 7.6654 7.6654 8.7156 8.7156 8.7299 8.7299 9.6465 9.6465 10.0834 10.0834 10.1197 10.1197 11.0918 11.0918 k = 0.2576 0.1487 0.1052 ( 12098 PWs) bands (ev): -13.6854 -13.6854 -13.2102 -13.2102 -10.8809 -10.8809 -10.4485 -10.4485 -10.3844 -10.3844 -10.3750 -10.3750 -2.6536 -2.6536 -2.0868 -2.0868 -1.4414 -1.4414 -1.0353 -1.0353 -0.3990 -0.3990 -0.3217 -0.3217 1.5030 1.5030 2.1838 2.1838 2.2741 2.2741 2.2793 2.2793 2.9650 2.9650 2.9851 2.9851 3.4536 3.4536 3.6924 3.6924 3.7889 3.7889 4.8112 4.8112 4.8274 4.8274 5.3799 5.3799 6.9531 6.9531 7.0307 7.0307 7.5999 7.5999 7.6679 7.6679 7.7067 7.7067 8.7049 8.7049 8.7209 8.7209 9.5907 9.5907 10.0667 10.0667 10.1045 10.1045 11.1568 11.1568 k = 0.2727 0.1575 0.1113 ( 12095 PWs) bands (ev): -13.6777 -13.6777 -13.2174 -13.2174 -10.8777 -10.8777 -10.4551 -10.4551 -10.3845 -10.3845 -10.3750 -10.3750 -2.6520 -2.6520 -2.0975 -2.0975 -1.4526 -1.4526 -1.0128 -1.0128 -0.3998 -0.3998 -0.3083 -0.3083 1.5153 1.5153 2.1747 2.1747 2.2742 2.2742 2.2793 2.2793 2.9880 2.9880 3.0100 3.0100 3.4389 3.4389 3.6929 3.6929 3.7889 3.7889 4.7636 4.7636 4.7800 4.7800 5.3803 5.3803 6.9592 6.9592 7.0395 7.0395 7.6411 7.6411 7.7118 7.7118 7.7494 7.7494 8.6930 8.6930 8.7109 8.7109 9.5339 9.5339 10.0502 10.0502 10.0894 10.0894 11.2155 11.2155 k = 0.2879 0.1662 0.1175 ( 12101 PWs) bands (ev): -13.6699 -13.6699 -13.2248 -13.2248 -10.8745 -10.8745 -10.4618 -10.4618 -10.3846 -10.3846 -10.3751 -10.3751 -2.6504 -2.6504 -2.1074 -2.1074 -1.4634 -1.4634 -0.9903 -0.9903 -0.4022 -0.4022 -0.2952 -0.2952 1.5277 1.5277 2.1655 2.1655 2.2742 2.2742 2.2794 2.2794 3.0113 3.0113 3.0351 3.0351 3.4257 3.4257 3.6942 3.6942 3.7893 3.7893 4.7164 4.7164 4.7328 4.7328 5.3807 5.3807 6.9647 6.9647 7.0474 7.0474 7.6836 7.6836 7.7563 7.7563 7.7932 7.7932 8.6800 8.6800 8.6997 8.6997 9.4762 9.4762 10.0340 10.0340 10.0746 10.0746 11.2655 11.2655 k = 0.3030 0.1750 0.1237 ( 12101 PWs) bands (ev): -13.6621 -13.6621 -13.2322 -13.2322 -10.8713 -10.8713 -10.4685 -10.4685 -10.3847 -10.3847 -10.3752 -10.3752 -2.6488 -2.6488 -2.1165 -2.1165 -1.4737 -1.4737 -0.9676 -0.9676 -0.4065 -0.4065 -0.2825 -0.2825 1.5400 1.5400 2.1562 2.1562 2.2743 2.2743 2.2795 2.2795 3.0345 3.0345 3.0602 3.0602 3.4139 3.4139 3.6965 3.6965 3.7903 3.7903 4.6697 4.6697 4.6862 4.6862 5.3810 5.3810 6.9697 6.9697 7.0543 7.0543 7.7271 7.7271 7.8012 7.8012 7.8381 7.8381 8.6657 8.6657 8.6874 8.6874 9.4177 9.4177 10.0181 10.0181 10.0602 10.0602 11.3045 11.3045 k = 0.3182 0.1837 0.1299 ( 12089 PWs) bands (ev): -13.6542 -13.6542 -13.2397 -13.2397 -10.8681 -10.8681 -10.4751 -10.4751 -10.3848 -10.3848 -10.3752 -10.3752 -2.6471 -2.6471 -2.1247 -2.1247 -1.4836 -1.4836 -0.9448 -0.9448 -0.4126 -0.4126 -0.2704 -0.2704 1.5521 1.5521 2.1469 2.1469 2.2744 2.2744 2.2796 2.2796 3.0575 3.0575 3.0850 3.0850 3.4038 3.4038 3.6996 3.6996 3.7919 3.7919 4.6238 4.6238 4.6404 4.6404 5.3814 5.3814 6.9742 6.9742 7.0605 7.0605 7.7713 7.7713 7.8461 7.8461 7.8838 7.8838 8.6502 8.6502 8.6739 8.6739 9.3585 9.3585 10.0029 10.0029 10.0464 10.0464 11.3305 11.3305 k = 0.3333 0.1925 0.1361 ( 12080 PWs) bands (ev): -13.6464 -13.6464 -13.2470 -13.2470 -10.8649 -10.8649 -10.4815 -10.4815 -10.3849 -10.3849 -10.3753 -10.3753 -2.6455 -2.6455 -2.1321 -2.1321 -1.4929 -1.4929 -0.9220 -0.9220 -0.4204 -0.4204 -0.2588 -0.2588 1.5638 1.5638 2.1377 2.1377 2.2745 2.2745 2.2797 2.2797 3.0800 3.0800 3.1094 3.1094 3.3954 3.3954 3.7036 3.7036 3.7941 3.7941 4.5790 4.5790 4.5957 4.5957 5.3818 5.3818 6.9783 6.9783 7.0660 7.0660 7.8160 7.8160 7.8908 7.8908 7.9302 7.9302 8.6333 8.6333 8.6591 8.6591 9.2988 9.2988 9.9883 9.9883 10.0332 10.0332 11.3427 11.3427 k = 0.3485 0.2012 0.1423 ( 12086 PWs) bands (ev): -13.6387 -13.6387 -13.2543 -13.2543 -10.8618 -10.8618 -10.4876 -10.4876 -10.3850 -10.3850 -10.3753 -10.3753 -2.6440 -2.6440 -2.1386 -2.1386 -1.5015 -1.5015 -0.8993 -0.8993 -0.4298 -0.4298 -0.2480 -0.2480 1.5751 1.5751 2.1287 2.1287 2.2746 2.2746 2.2798 2.2798 3.1018 3.1018 3.1331 3.1331 3.3886 3.3886 3.7085 3.7085 3.7972 3.7972 4.5356 4.5356 4.5522 4.5522 5.3821 5.3821 6.9820 6.9820 7.0709 7.0709 7.8609 7.8609 7.9352 7.9352 7.9773 7.9773 8.6151 8.6151 8.6429 8.6429 9.2388 9.2388 9.9745 9.9745 10.0208 10.0208 11.3422 11.3422 k = 0.3636 0.2099 0.1485 ( 12080 PWs) bands (ev): -13.6313 -13.6313 -13.2613 -13.2613 -10.8588 -10.8588 -10.4935 -10.4935 -10.3851 -10.3851 -10.3753 -10.3753 -2.6426 -2.6426 -2.1443 -2.1443 -1.5095 -1.5095 -0.8768 -0.8768 -0.4407 -0.4407 -0.2379 -0.2379 1.5858 1.5858 2.1199 2.1199 2.2746 2.2746 2.2798 2.2798 3.1226 3.1226 3.1557 3.1557 3.3833 3.3833 3.7142 3.7142 3.8010 3.8010 4.4938 4.4938 4.5104 4.5104 5.3824 5.3824 6.9853 6.9853 7.0751 7.0751 7.9056 7.9056 7.9790 7.9790 8.0248 8.0248 8.5956 8.5956 8.6254 8.6254 9.1786 9.1786 9.9616 9.9616 10.0092 10.0092 11.3314 11.3314 k = 0.3788 0.2187 0.1546 ( 12086 PWs) bands (ev): -13.6242 -13.6242 -13.2681 -13.2681 -10.8559 -10.8559 -10.4990 -10.4990 -10.3851 -10.3851 -10.3754 -10.3754 -2.6412 -2.6412 -2.1493 -2.1493 -1.5168 -1.5168 -0.8545 -0.8545 -0.4529 -0.4529 -0.2287 -0.2287 1.5958 1.5958 2.1116 2.1116 2.2747 2.2747 2.2799 2.2799 3.1420 3.1420 3.1770 3.1770 3.3794 3.3794 3.7207 3.7207 3.8056 3.8056 4.4541 4.4541 4.4706 4.4706 5.3827 5.3827 6.9882 6.9882 7.0788 7.0788 7.9500 7.9500 8.0219 8.0219 8.0727 8.0727 8.5748 8.5748 8.6066 8.6066 9.1185 9.1185 9.9498 9.9498 9.9986 9.9986 11.3134 11.3134 k = 0.3939 0.2274 0.1608 ( 12092 PWs) bands (ev): -13.6175 -13.6175 -13.2744 -13.2744 -10.8533 -10.8533 -10.5041 -10.5041 -10.3852 -10.3852 -10.3754 -10.3754 -2.6400 -2.6400 -2.1535 -2.1535 -1.5233 -1.5233 -0.8327 -0.8327 -0.4662 -0.4662 -0.2204 -0.2204 1.6050 1.6050 2.1038 2.1038 2.2747 2.2747 2.2800 2.2800 3.1599 3.1599 3.1966 3.1966 3.3768 3.3768 3.7278 3.7278 3.8109 3.8109 4.4169 4.4169 4.4333 4.4333 5.3830 5.3830 6.9908 6.9908 7.0820 7.0820 7.9935 7.9935 8.0637 8.0637 8.1208 8.1208 8.5528 8.5528 8.5866 8.5866 9.0589 9.0589 9.9391 9.9391 9.9890 9.9890 11.2916 11.2916 k = 0.4091 0.2362 0.1670 ( 12092 PWs) bands (ev): -13.6114 -13.6114 -13.2802 -13.2802 -10.8509 -10.8509 -10.5086 -10.5086 -10.3852 -10.3852 -10.3755 -10.3755 -2.6390 -2.6390 -2.1570 -2.1570 -1.5290 -1.5290 -0.8115 -0.8115 -0.4801 -0.4801 -0.2131 -0.2131 1.6133 1.6133 2.0966 2.0966 2.2748 2.2748 2.2800 2.2800 3.1760 3.1760 3.2144 3.2144 3.3751 3.3751 3.7353 3.7353 3.8167 3.8167 4.3826 4.3826 4.3988 4.3988 5.3832 5.3832 6.9930 6.9930 7.0848 7.0848 8.0357 8.0357 8.1040 8.1040 8.1686 8.1686 8.5299 8.5299 8.5655 8.5655 9.0005 9.0005 9.9296 9.9296 9.9806 9.9806 11.2687 11.2687 k = 0.4242 0.2449 0.1732 ( 12089 PWs) bands (ev): -13.6060 -13.6060 -13.2854 -13.2854 -10.8487 -10.8487 -10.5126 -10.5126 -10.3853 -10.3853 -10.3755 -10.3755 -2.6381 -2.6381 -2.1599 -2.1599 -1.5339 -1.5339 -0.7914 -0.7914 -0.4944 -0.4944 -0.2068 -0.2068 1.6205 1.6205 2.0902 2.0902 2.2748 2.2748 2.2801 2.2801 3.1899 3.1899 3.2299 3.2299 3.3742 3.3742 3.7429 3.7429 3.8229 3.8229 4.3519 4.3519 4.3678 4.3678 5.3834 5.3834 6.9948 6.9948 7.0871 7.0871 8.0760 8.0760 8.1424 8.1424 8.2157 8.2157 8.5062 8.5062 8.5437 8.5437 8.9439 8.9439 9.9215 9.9215 9.9733 9.9733 11.2466 11.2466 k = 0.4394 0.2537 0.1794 ( 12089 PWs) bands (ev): -13.6014 -13.6014 -13.2898 -13.2898 -10.8469 -10.8469 -10.5160 -10.5160 -10.3853 -10.3853 -10.3755 -10.3755 -2.6373 -2.6373 -2.1621 -2.1621 -1.5380 -1.5380 -0.7727 -0.7727 -0.5084 -0.5084 -0.2016 -0.2016 1.6266 1.6266 2.0848 2.0848 2.2749 2.2749 2.2801 2.2801 3.2016 3.2016 3.2430 3.2430 3.3739 3.3739 3.7503 3.7503 3.8291 3.8291 4.3253 4.3253 4.3409 4.3409 5.3836 5.3836 6.9963 6.9963 7.0889 7.0889 8.1137 8.1137 8.1782 8.1782 8.2609 8.2609 8.4825 8.4825 8.5216 8.5216 8.8905 8.8905 9.9148 9.9148 9.9673 9.9673 11.2269 11.2269 k = 0.4545 0.2624 0.1856 ( 12113 PWs) bands (ev): -13.5976 -13.5976 -13.2934 -13.2934 -10.8455 -10.8455 -10.5186 -10.5186 -10.3853 -10.3853 -10.3755 -10.3755 -2.6367 -2.6367 -2.1638 -2.1638 -1.5411 -1.5411 -0.7563 -0.7563 -0.5213 -0.5213 -0.1975 -0.1975 1.6314 1.6314 2.0804 2.0804 2.2749 2.2749 2.2801 2.2801 3.2109 3.2109 3.2535 3.2535 3.3739 3.3739 3.7568 3.7568 3.8348 3.8348 4.3036 4.3036 4.3189 4.3189 5.3837 5.3837 6.9975 6.9975 7.0903 7.0903 8.1475 8.1475 8.2103 8.2103 8.3028 8.3028 8.4597 8.4597 8.5003 8.5003 8.8422 8.8422 9.9094 9.9094 9.9626 9.9626 11.2107 11.2107 k = 0.4697 0.2712 0.1918 ( 12101 PWs) bands (ev): -13.5948 -13.5948 -13.2960 -13.2960 -10.8444 -10.8444 -10.5206 -10.5206 -10.3853 -10.3853 -10.3755 -10.3755 -2.6363 -2.6363 -2.1650 -2.1650 -1.5434 -1.5434 -0.7431 -0.7431 -0.5320 -0.5320 -0.1945 -0.1945 1.6349 1.6349 2.0772 2.0772 2.2749 2.2749 2.2801 2.2801 3.2176 3.2176 3.2610 3.2610 3.3741 3.3741 3.7621 3.7621 3.8394 3.8394 4.2874 4.2874 4.3025 4.3025 5.3838 5.3838 6.9983 6.9983 7.0913 7.0913 8.1756 8.1756 8.2370 8.2370 8.3382 8.3382 8.4396 8.4396 8.4813 8.4813 8.8019 8.8019 9.9056 9.9056 9.9592 9.9592 11.1987 11.1987 k = 0.4848 0.2799 0.1979 ( 12083 PWs) bands (ev): -13.5931 -13.5931 -13.2976 -13.2976 -10.8438 -10.8438 -10.5217 -10.5217 -10.3853 -10.3853 -10.3755 -10.3755 -2.6361 -2.6361 -2.1657 -2.1657 -1.5448 -1.5448 -0.7344 -0.7344 -0.5393 -0.5393 -0.1927 -0.1927 1.6371 1.6371 2.0752 2.0752 2.2749 2.2749 2.2802 2.2802 3.2216 3.2216 3.2656 3.2656 3.3743 3.3743 3.7655 3.7655 3.8424 3.8424 4.2774 4.2774 4.2923 4.2923 5.3839 5.3839 6.9988 6.9988 7.0919 7.0919 8.1949 8.1949 8.2555 8.2555 8.3629 8.3629 8.4251 8.4251 8.4676 8.4676 8.7742 8.7742 9.9033 9.9033 9.9572 9.9572 11.1913 11.1913 k = 0.5000 0.2887 0.2041 ( 12104 PWs) bands (ev): -13.5926 -13.5926 -13.2982 -13.2982 -10.8435 -10.8435 -10.5221 -10.5221 -10.3854 -10.3854 -10.3756 -10.3756 -2.6360 -2.6360 -2.1660 -2.1660 -1.5452 -1.5452 -0.7313 -0.7313 -0.5419 -0.5419 -0.1921 -0.1921 1.6378 1.6378 2.0746 2.0746 2.2749 2.2749 2.2802 2.2802 3.2229 3.2229 3.2672 3.2672 3.3743 3.3743 3.7666 3.7666 3.8435 3.8435 4.2740 4.2740 4.2888 4.2888 5.3839 5.3839 6.9990 6.9990 7.0921 7.0921 8.2020 8.2020 8.2623 8.2623 8.3720 8.3720 8.4196 8.4196 8.4624 8.4624 8.7642 8.7642 9.9025 9.9025 9.9565 9.9565 11.1888 11.1888 k = 0.5000 0.2887 0.2041 ( 12104 PWs) bands (ev): -13.5926 -13.5926 -13.2982 -13.2982 -10.8435 -10.8435 -10.5221 -10.5221 -10.3854 -10.3854 -10.3756 -10.3756 -2.6360 -2.6360 -2.1660 -2.1660 -1.5452 -1.5452 -0.7313 -0.7313 -0.5419 -0.5419 -0.1921 -0.1921 1.6378 1.6378 2.0746 2.0746 2.2749 2.2749 2.2802 2.2802 3.2229 3.2229 3.2672 3.2672 3.3743 3.3743 3.7666 3.7666 3.8435 3.8435 4.2740 4.2740 4.2888 4.2888 5.3839 5.3839 6.9990 6.9990 7.0921 7.0921 8.2020 8.2020 8.2623 8.2623 8.3720 8.3720 8.4196 8.4196 8.4624 8.4624 8.7642 8.7642 9.9025 9.9025 9.9565 9.9565 11.1888 11.1888 k = 0.5054 0.2730 0.2130 ( 12078 PWs) bands (ev): -13.5923 -13.5923 -13.2984 -13.2984 -10.8433 -10.8433 -10.5225 -10.5225 -10.3853 -10.3853 -10.3755 -10.3755 -2.6357 -2.6357 -2.1667 -2.1667 -1.5446 -1.5446 -0.7314 -0.7314 -0.5421 -0.5421 -0.1916 -0.1916 1.6383 1.6383 2.0742 2.0742 2.2749 2.2749 2.2802 2.2802 3.2233 3.2233 3.2675 3.2675 3.3732 3.3732 3.7674 3.7674 3.8440 3.8440 4.2740 4.2740 4.2887 4.2887 5.3811 5.3811 7.0010 7.0010 7.0941 7.0941 8.2013 8.2013 8.2611 8.2611 8.3641 8.3641 8.4255 8.4255 8.4665 8.4665 8.7639 8.7639 9.9014 9.9014 9.9554 9.9554 11.1881 11.1881 k = 0.5109 0.2573 0.2219 ( 12085 PWs) bands (ev): -13.5915 -13.5915 -13.2992 -13.2992 -10.8426 -10.8426 -10.5236 -10.5236 -10.3852 -10.3852 -10.3755 -10.3755 -2.6349 -2.6349 -2.1688 -2.1688 -1.5429 -1.5429 -0.7316 -0.7316 -0.5429 -0.5429 -0.1899 -0.1899 1.6400 1.6400 2.0731 2.0731 2.2750 2.2750 2.2802 2.2802 3.2242 3.2242 3.2684 3.2684 3.3698 3.3698 3.7694 3.7694 3.8456 3.8456 4.2738 4.2738 4.2886 4.2886 5.3729 5.3729 7.0067 7.0067 7.1000 7.1000 8.1991 8.1991 8.2574 8.2574 8.3484 8.3484 8.4352 8.4352 8.4790 8.4790 8.7631 8.7631 9.8979 9.8979 9.9520 9.9520 11.1861 11.1861 k = 0.5163 0.2416 0.2307 ( 12079 PWs) bands (ev): -13.5902 -13.5902 -13.3004 -13.3004 -10.8414 -10.8414 -10.5255 -10.5255 -10.3851 -10.3851 -10.3755 -10.3755 -2.6335 -2.6335 -2.1724 -2.1724 -1.5401 -1.5401 -0.7320 -0.7320 -0.5441 -0.5441 -0.1872 -0.1872 1.6427 1.6427 2.0713 2.0713 2.2750 2.2750 2.2802 2.2802 3.2257 3.2257 3.2701 3.2701 3.3644 3.3644 3.7723 3.7723 3.8485 3.8485 4.2734 4.2734 4.2884 4.2884 5.3595 5.3595 7.0156 7.0156 7.1102 7.1102 8.1951 8.1951 8.2509 8.2509 8.3329 8.3329 8.4432 8.4432 8.4983 8.4983 8.7616 8.7616 9.8922 9.8922 9.9465 9.9465 11.1825 11.1825 k = 0.5217 0.2259 0.2396 ( 12085 PWs) bands (ev): -13.5884 -13.5884 -13.3021 -13.3021 -10.8398 -10.8398 -10.5280 -10.5280 -10.3849 -10.3849 -10.3754 -10.3754 -2.6316 -2.6316 -2.1772 -2.1772 -1.5363 -1.5363 -0.7327 -0.7327 -0.5456 -0.5456 -0.1835 -0.1835 1.6466 1.6466 2.0688 2.0688 2.2751 2.2751 2.2802 2.2802 3.2275 3.2275 3.2725 3.2725 3.3574 3.3574 3.7756 3.7756 3.8530 3.8530 4.2729 4.2729 4.2883 4.2883 5.3413 5.3413 7.0268 7.0268 7.1251 7.1251 8.1886 8.1886 8.2409 8.2409 8.3210 8.3210 8.4502 8.4502 8.5211 8.5211 8.7596 8.7596 9.8841 9.8841 9.9389 9.9389 11.1770 11.1770 k = 0.5272 0.2102 0.2485 ( 12080 PWs) bands (ev): -13.5861 -13.5861 -13.3043 -13.3043 -10.8377 -10.8377 -10.5313 -10.5313 -10.3847 -10.3847 -10.3754 -10.3754 -2.6292 -2.6292 -2.1833 -2.1833 -1.5315 -1.5315 -0.7339 -0.7339 -0.5471 -0.5471 -0.1790 -0.1790 1.6514 1.6514 2.0655 2.0655 2.2752 2.2752 2.2802 2.2802 3.2294 3.2294 3.2760 3.2760 3.3491 3.3491 3.7786 3.7786 3.8592 3.8592 4.2720 4.2720 4.2884 4.2884 5.3187 5.3187 7.0394 7.0394 7.1451 7.1451 8.1788 8.1788 8.2280 8.2280 8.3141 8.3141 8.4572 8.4572 8.5455 8.5455 8.7572 8.7572 9.8738 9.8738 9.9293 9.9293 11.1691 11.1691 k = 0.5326 0.1945 0.2574 ( 12080 PWs) bands (ev): -13.5832 -13.5832 -13.3070 -13.3070 -10.8352 -10.8352 -10.5352 -10.5352 -10.3845 -10.3845 -10.3753 -10.3753 -2.6263 -2.6263 -2.1905 -2.1905 -1.5258 -1.5258 -0.7356 -0.7356 -0.5485 -0.5485 -0.1737 -0.1737 1.6572 1.6572 2.0616 2.0616 2.2753 2.2753 2.2802 2.2802 3.2311 3.2311 3.2807 3.2807 3.3400 3.3400 3.7807 3.7807 3.8673 3.8673 4.2710 4.2710 4.2885 4.2885 5.2924 5.2924 7.0528 7.0528 7.1704 7.1704 8.1652 8.1652 8.2136 8.2136 8.3121 8.3121 8.4644 8.4644 8.5706 8.5706 8.7543 8.7543 9.8611 9.8611 9.9179 9.9179 11.1583 11.1583 k = 0.5380 0.1789 0.2662 ( 12088 PWs) bands (ev): -13.5799 -13.5799 -13.3102 -13.3102 -10.8322 -10.8322 -10.5397 -10.5397 -10.3843 -10.3843 -10.3752 -10.3752 -2.6229 -2.6229 -2.1988 -2.1988 -1.5192 -1.5192 -0.7381 -0.7381 -0.5494 -0.5494 -0.1678 -0.1678 1.6638 1.6638 2.0570 2.0570 2.2754 2.2754 2.2802 2.2802 3.2322 3.2322 3.2867 3.2867 3.3307 3.3307 3.7819 3.7819 3.8771 3.8771 4.2698 4.2698 4.2888 4.2888 5.2628 5.2628 7.0667 7.0667 7.2005 7.2005 8.1474 8.1474 8.1992 8.1992 8.3140 8.3140 8.4717 8.4717 8.5957 8.5957 8.7511 8.7511 9.8462 9.8462 9.9048 9.9048 11.1441 11.1441 k = 0.5435 0.1632 0.2751 ( 12093 PWs) bands (ev): -13.5761 -13.5761 -13.3138 -13.3138 -10.8288 -10.8288 -10.5448 -10.5448 -10.3842 -10.3842 -10.3751 -10.3751 -2.6190 -2.6190 -2.2079 -2.2079 -1.5120 -1.5120 -0.7415 -0.7415 -0.5497 -0.5497 -0.1615 -0.1615 1.6713 1.6713 2.0517 2.0517 2.2755 2.2755 2.2802 2.2802 3.2326 3.2326 3.2935 3.2935 3.3221 3.3221 3.7818 3.7818 3.8883 3.8883 4.2687 4.2687 4.2891 4.2891 5.2307 5.2307 7.0808 7.0808 7.2350 7.2350 8.1262 8.1262 8.1854 8.1854 8.3189 8.3189 8.4791 8.4791 8.6203 8.6203 8.7479 8.7479 9.8291 9.8291 9.8901 9.8901 11.1260 11.1260 k = 0.5489 0.1475 0.2840 ( 12085 PWs) bands (ev): -13.5718 -13.5718 -13.3178 -13.3178 -10.8249 -10.8249 -10.5504 -10.5504 -10.3840 -10.3840 -10.3750 -10.3750 -2.6147 -2.6147 -2.2178 -2.2178 -1.5041 -1.5041 -0.7459 -0.7459 -0.5491 -0.5491 -0.1548 -0.1548 1.6796 1.6796 2.0458 2.0458 2.2756 2.2756 2.2802 2.2802 3.2321 3.2321 3.2988 3.2988 3.3169 3.3169 3.7807 3.7807 3.9004 3.9004 4.2678 4.2678 4.2893 4.2893 5.1967 5.1967 7.0953 7.0953 7.2733 7.2733 8.1026 8.1026 8.1718 8.1718 8.3264 8.3264 8.4864 8.4864 8.6438 8.6438 8.7452 8.7452 9.8100 9.8100 9.8740 9.8740 11.1039 11.1039 k = 0.5543 0.1318 0.2929 ( 12096 PWs) bands (ev): -13.5671 -13.5671 -13.3223 -13.3223 -10.8207 -10.8207 -10.5565 -10.5565 -10.3838 -10.3838 -10.3749 -10.3749 -2.6100 -2.6100 -2.2283 -2.2283 -1.4956 -1.4956 -0.7514 -0.7514 -0.5475 -0.5475 -0.1479 -0.1479 1.6885 1.6885 2.0392 2.0392 2.2758 2.2758 2.2802 2.2802 3.2307 3.2307 3.2965 3.2965 3.3215 3.3215 3.7784 3.7784 3.9130 3.9130 4.2674 4.2674 4.2893 4.2893 5.1613 5.1613 7.1100 7.1100 7.3147 7.3147 8.0774 8.0774 8.1583 8.1583 8.3360 8.3360 8.4934 8.4934 8.6649 8.6649 8.7442 8.7442 9.7889 9.7889 9.8568 9.8568 11.0780 11.0780 k = 0.5598 0.1161 0.3017 ( 12101 PWs) bands (ev): -13.5620 -13.5620 -13.3272 -13.3272 -10.8160 -10.8160 -10.5631 -10.5631 -10.3837 -10.3837 -10.3748 -10.3748 -2.6050 -2.6050 -2.2394 -2.2394 -1.4867 -1.4867 -0.7580 -0.7580 -0.5448 -0.5448 -0.1410 -0.1410 1.6981 1.6981 2.0321 2.0321 2.2759 2.2759 2.2802 2.2802 3.2283 3.2283 3.2899 3.2899 3.3327 3.3327 3.7752 3.7752 3.9256 3.9256 4.2677 4.2677 4.2888 4.2888 5.1252 5.1252 7.1249 7.1249 7.3586 7.3586 8.0513 8.0513 8.1445 8.1445 8.3475 8.3475 8.5001 8.5001 8.6811 8.6811 8.7471 8.7471 9.7662 9.7662 9.8384 9.8384 11.0490 11.0490 k = 0.5652 0.1004 0.3106 ( 12107 PWs) bands (ev): -13.5564 -13.5564 -13.3325 -13.3325 -10.8109 -10.8109 -10.5700 -10.5700 -10.3837 -10.3837 -10.3747 -10.3747 -2.5996 -2.5996 -2.2509 -2.2509 -1.4774 -1.4774 -0.7657 -0.7657 -0.5410 -0.5410 -0.1342 -0.1342 1.7081 1.7081 2.0245 2.0245 2.2761 2.2761 2.2802 2.2802 3.2250 3.2250 3.2829 3.2829 3.3465 3.3465 3.7711 3.7711 3.9378 3.9378 4.2689 4.2689 4.2879 4.2879 5.0890 5.0890 7.1401 7.1401 7.4046 7.4046 8.0245 8.0245 8.1305 8.1305 8.3606 8.3606 8.5062 8.5062 8.6896 8.6896 8.7570 8.7570 9.7420 9.7420 9.8192 9.8192 11.0178 11.0178 k = 0.5707 0.0847 0.3195 ( 12117 PWs) bands (ev): -13.5505 -13.5505 -13.3382 -13.3382 -10.8055 -10.8055 -10.5772 -10.5772 -10.3836 -10.3836 -10.3747 -10.3747 -2.5940 -2.5940 -2.2626 -2.2626 -1.4678 -1.4678 -0.7744 -0.7744 -0.5361 -0.5361 -0.1275 -0.1275 1.7186 1.7186 2.0163 2.0163 2.2762 2.2762 2.2802 2.2802 3.2211 3.2211 3.2762 3.2762 3.3622 3.3622 3.7660 3.7660 3.9493 3.9493 4.2709 4.2709 4.2864 4.2864 5.0533 5.0533 7.1553 7.1553 7.4522 7.4522 7.9973 7.9973 8.1162 8.1162 8.3753 8.3753 8.5118 8.5118 8.6906 8.6906 8.7733 8.7733 9.7167 9.7167 9.7992 9.7992 10.9857 10.9858 k = 0.5761 0.0690 0.3284 ( 12119 PWs) bands (ev): -13.5443 -13.5443 -13.3442 -13.3442 -10.7997 -10.7997 -10.5848 -10.5848 -10.3836 -10.3836 -10.3747 -10.3747 -2.5882 -2.5882 -2.2745 -2.2745 -1.4580 -1.4580 -0.7841 -0.7841 -0.5301 -0.5301 -0.1212 -0.1212 1.7294 1.7294 2.0076 2.0076 2.2764 2.2764 2.2802 2.2802 3.2169 3.2169 3.2699 3.2699 3.3795 3.3795 3.7600 3.7600 3.9598 3.9598 4.2733 4.2733 4.2850 4.2850 5.0185 5.0185 7.1704 7.1704 7.5009 7.5009 7.9699 7.9699 8.1016 8.1016 8.3911 8.3911 8.5166 8.5166 8.6872 8.6872 8.7929 8.7929 9.6908 9.6908 9.7786 9.7786 10.9539 10.9539 k = 0.5815 0.0533 0.3372 ( 12116 PWs) bands (ev): -13.5377 -13.5377 -13.3505 -13.3505 -10.7936 -10.7936 -10.5925 -10.5925 -10.3836 -10.3836 -10.3747 -10.3747 -2.5822 -2.5822 -2.2865 -2.2865 -1.4480 -1.4480 -0.7945 -0.7945 -0.5232 -0.5232 -0.1152 -0.1152 1.7404 1.7404 1.9985 1.9985 2.2765 2.2765 2.2802 2.2802 3.2126 3.2126 3.2638 3.2638 3.3982 3.3982 3.7531 3.7531 3.9688 3.9688 4.2732 4.2732 4.2867 4.2867 4.9853 4.9853 7.1853 7.1853 7.5505 7.5505 7.9423 7.9423 8.0868 8.0868 8.4080 8.4080 8.5207 8.5207 8.6818 8.6818 8.8137 8.8137 9.6645 9.6645 9.7576 9.7576 10.9233 10.9233 k = 0.5870 0.0377 0.3461 ( 12118 PWs) bands (ev): -13.5310 -13.5310 -13.3571 -13.3571 -10.7873 -10.7873 -10.6004 -10.6004 -10.3837 -10.3837 -10.3748 -10.3748 -2.5761 -2.5761 -2.2983 -2.2983 -1.4379 -1.4379 -0.8055 -0.8055 -0.5154 -0.5154 -0.1098 -0.1098 1.7516 1.7516 1.9891 1.9891 2.2767 2.2767 2.2802 2.2802 3.2084 3.2084 3.2578 3.2578 3.4182 3.4182 3.7453 3.7453 3.9763 3.9763 4.2688 4.2688 4.2930 4.2930 4.9542 4.9542 7.1997 7.1997 7.6006 7.6006 7.9146 7.9146 8.0718 8.0718 8.4253 8.4253 8.5239 8.5239 8.6756 8.6756 8.8343 8.8343 9.6384 9.6384 9.7365 9.7365 10.8950 10.8950 k = 0.5924 0.0220 0.3550 ( 12111 PWs) bands (ev): -13.5240 -13.5240 -13.3638 -13.3638 -10.7808 -10.7808 -10.6083 -10.6083 -10.3837 -10.3837 -10.3749 -10.3749 -2.5701 -2.5701 -2.3100 -2.3100 -1.4278 -1.4278 -0.8170 -0.8170 -0.5068 -0.5068 -0.1049 -0.1049 1.7629 1.7629 1.9794 1.9794 2.2768 2.2768 2.2802 2.2802 3.2045 3.2045 3.2516 3.2516 3.4393 3.4393 3.7367 3.7367 3.9821 3.9821 4.2616 4.2616 4.3024 4.3024 4.9256 4.9256 7.2136 7.2136 7.6508 7.6508 7.8870 7.8870 8.0566 8.0566 8.4424 8.4424 8.5263 8.5263 8.6695 8.6695 8.8543 8.8543 9.6131 9.6131 9.7154 9.7154 10.8696 10.8696 k = 0.5978 0.0063 0.3639 ( 12113 PWs) bands (ev): -13.5169 -13.5169 -13.3707 -13.3707 -10.7741 -10.7741 -10.6162 -10.6162 -10.3838 -10.3838 -10.3751 -10.3751 -2.5641 -2.5641 -2.3213 -2.3213 -1.4179 -1.4179 -0.8288 -0.8288 -0.4977 -0.4977 -0.1007 -0.1007 1.7741 1.7741 1.9695 1.9695 2.2770 2.2770 2.2803 2.2803 3.2010 3.2010 3.2452 3.2452 3.4615 3.4615 3.7271 3.7271 3.9861 3.9861 4.2524 4.2524 4.3143 4.3143 4.8999 4.8999 7.2267 7.2267 7.7009 7.7009 7.8596 7.8596 8.0412 8.0412 8.4579 8.4579 8.5281 8.5281 8.6647 8.6647 8.8731 8.8731 9.5890 9.5890 9.6945 9.6945 10.8479 10.8479 k = 0.6033-0.0094 0.3727 ( 12107 PWs) bands (ev): -13.5099 -13.5099 -13.3776 -13.3776 -10.7675 -10.7675 -10.6238 -10.6238 -10.3839 -10.3839 -10.3753 -10.3753 -2.5584 -2.5584 -2.3321 -2.3321 -1.4081 -1.4081 -0.8408 -0.8408 -0.4879 -0.4879 -0.0973 -0.0973 1.7851 1.7851 1.9596 1.9596 2.2771 2.2771 2.2803 2.2803 3.1979 3.1979 3.2385 3.2385 3.4845 3.4845 3.7170 3.7170 3.9883 3.9883 4.2411 4.2411 4.3284 4.3284 4.8773 4.8773 7.2388 7.2388 7.7501 7.7501 7.8330 7.8330 8.0258 8.0258 8.4700 8.4700 8.5294 8.5294 8.6625 8.6625 8.8905 8.8905 9.5668 9.5668 9.6742 9.6742 10.8303 10.8303 k = 0.6087-0.0251 0.3816 ( 12113 PWs) bands (ev): -13.5030 -13.5030 -13.3843 -13.3843 -10.7609 -10.7609 -10.6311 -10.6311 -10.3839 -10.3839 -10.3755 -10.3755 -2.5529 -2.5529 -2.3423 -2.3423 -1.3986 -1.3986 -0.8529 -0.8529 -0.4777 -0.4777 -0.0946 -0.0946 1.7957 1.7957 1.9500 1.9500 2.2773 2.2773 2.2803 2.2803 3.1951 3.1951 3.2317 3.2317 3.5076 3.5076 3.7064 3.7064 3.9889 3.9889 4.2280 4.2280 4.3445 4.3445 4.8582 4.8582 7.2499 7.2499 7.7904 7.7904 7.8146 7.8146 8.0105 8.0105 8.4769 8.4769 8.5299 8.5299 8.6649 8.6649 8.9063 8.9063 9.5470 9.5470 9.6548 9.6548 10.8170 10.8170 k = 0.6141-0.0408 0.3905 ( 12109 PWs) bands (ev): -13.4966 -13.4966 -13.3907 -13.3907 -10.7548 -10.7548 -10.6379 -10.6379 -10.3840 -10.3840 -10.3758 -10.3758 -2.5480 -2.5480 -2.3516 -2.3516 -1.3894 -1.3894 -0.8649 -0.8649 -0.4671 -0.4671 -0.0928 -0.0928 1.8054 1.8054 1.9409 1.9409 2.2774 2.2774 2.2803 2.2803 3.1925 3.1925 3.2248 3.2248 3.5301 3.5301 3.6964 3.6964 3.9878 3.9878 4.2134 4.2134 4.3626 4.3626 4.8425 4.8425 7.2596 7.2596 7.7749 7.7749 7.8511 7.8511 7.9958 7.9958 8.4776 8.4776 8.5284 8.5284 8.6737 8.6737 8.9202 8.9202 9.5302 9.5302 9.6364 9.6364 10.8084 10.8084 k = 0.6196-0.0565 0.3994 ( 12114 PWs) bands (ev): -13.4909 -13.4909 -13.3962 -13.3962 -10.7493 -10.7493 -10.6437 -10.6437 -10.3841 -10.3841 -10.3761 -10.3761 -2.5438 -2.5438 -2.3599 -2.3599 -1.3807 -1.3807 -0.8767 -0.8767 -0.4562 -0.4562 -0.0918 -0.0918 1.8138 1.8138 1.9329 1.9329 2.2775 2.2775 2.2804 2.2804 3.1898 3.1898 3.2181 3.2181 3.5502 3.5502 3.6884 3.6884 3.9854 3.9854 4.1974 4.1974 4.3824 4.3824 4.8301 4.8301 7.2678 7.2678 7.7493 7.7493 7.8949 7.8949 7.9832 7.9832 8.4727 8.4727 8.5235 8.5235 8.6893 8.6893 8.9323 8.9323 9.5168 9.5168 9.6196 9.6196 10.8044 10.8044 k = 0.6250-0.0722 0.4082 ( 12114 PWs) bands (ev): -13.4865 -13.4865 -13.4006 -13.4006 -10.7449 -10.7449 -10.6482 -10.6482 -10.3842 -10.3842 -10.3765 -10.3765 -2.5404 -2.5404 -2.3669 -2.3669 -1.3726 -1.3726 -0.8882 -0.8882 -0.4451 -0.4451 -0.0918 -0.0918 1.8200 1.8200 1.9269 1.9269 2.2776 2.2776 2.2804 2.2804 3.1864 3.1864 3.2121 3.2121 3.5645 3.5645 3.6856 3.6856 3.9817 3.9817 4.1806 4.1806 4.4038 4.4038 4.8210 4.8210 7.2743 7.2743 7.7236 7.7236 7.9273 7.9273 7.9814 7.9814 8.4631 8.4631 8.5148 8.5148 8.7106 8.7106 8.9427 8.9427 9.5070 9.5070 9.6045 9.6045 10.8048 10.8048 k = 0.6250-0.0722 0.4082 ( 12114 PWs) bands (ev): -13.4865 -13.4865 -13.4006 -13.4006 -10.7449 -10.7449 -10.6482 -10.6482 -10.3842 -10.3842 -10.3765 -10.3765 -2.5404 -2.5404 -2.3669 -2.3669 -1.3726 -1.3726 -0.8882 -0.8882 -0.4451 -0.4451 -0.0918 -0.0918 1.8200 1.8200 1.9269 1.9269 2.2776 2.2776 2.2804 2.2804 3.1864 3.1864 3.2121 3.2121 3.5645 3.5645 3.6856 3.6856 3.9817 3.9817 4.1806 4.1806 4.4038 4.4038 4.8210 4.8210 7.2743 7.2743 7.7236 7.7236 7.9273 7.9273 7.9814 7.9814 8.4631 8.4631 8.5148 8.5148 8.7106 8.7106 8.9427 8.9427 9.5070 9.5070 9.6045 9.6045 10.8048 10.8048 k = 0.6161-0.0670 0.4228 ( 12102 PWs) bands (ev): -13.4862 -13.4862 -13.4008 -13.4008 -10.7446 -10.7446 -10.6485 -10.6485 -10.3842 -10.3842 -10.3765 -10.3765 -2.5402 -2.5402 -2.3671 -2.3671 -1.3726 -1.3726 -0.8880 -0.8880 -0.4455 -0.4455 -0.0915 -0.0915 1.8202 1.8202 1.9267 1.9267 2.2776 2.2776 2.2804 2.2804 3.1866 3.1866 3.2122 3.2122 3.5646 3.5646 3.6853 3.6853 3.9824 3.9824 4.1796 4.1796 4.4052 4.4052 4.8192 4.8192 7.2763 7.2763 7.7218 7.7218 7.9276 7.9276 7.9827 7.9827 8.4622 8.4622 8.5129 8.5129 8.7132 8.7132 8.9423 8.9423 9.5068 9.5068 9.6037 9.6037 10.8055 10.8055 k = 0.6071-0.0619 0.4374 ( 12109 PWs) bands (ev): -13.4856 -13.4856 -13.4015 -13.4015 -10.7439 -10.7439 -10.6494 -10.6494 -10.3841 -10.3841 -10.3765 -10.3765 -2.5396 -2.5396 -2.3675 -2.3675 -1.3729 -1.3729 -0.8874 -0.8874 -0.4468 -0.4468 -0.0909 -0.0909 1.8210 1.8210 1.9259 1.9259 2.2776 2.2776 2.2804 2.2804 3.1874 3.1874 3.2126 3.2126 3.5649 3.5649 3.6846 3.6846 3.9845 3.9845 4.1770 4.1770 4.4095 4.4095 4.8139 4.8139 7.2821 7.2821 7.7166 7.7166 7.9284 7.9284 7.9865 7.9865 8.4593 8.4593 8.5079 8.5079 8.7207 8.7207 8.9411 8.9411 9.5060 9.5060 9.6016 9.6016 10.8077 10.8077 k = 0.5982-0.0567 0.4520 ( 12119 PWs) bands (ev): -13.4844 -13.4844 -13.4026 -13.4026 -10.7427 -10.7427 -10.6509 -10.6509 -10.3839 -10.3839 -10.3765 -10.3765 -2.5386 -2.5386 -2.3683 -2.3683 -1.3733 -1.3733 -0.8863 -0.8863 -0.4488 -0.4488 -0.0898 -0.0898 1.8223 1.8223 1.9245 1.9245 2.2776 2.2776 2.2803 2.2803 3.1886 3.1886 3.2132 3.2132 3.5654 3.5654 3.6833 3.6833 3.9880 3.9880 4.1727 4.1727 4.4164 4.4164 4.8052 4.8052 7.2916 7.2916 7.7082 7.7082 7.9296 7.9296 7.9924 7.9924 8.4541 8.4541 8.5015 8.5015 8.7319 8.7319 8.9390 8.9390 9.5047 9.5047 9.5982 9.5982 10.8112 10.8112 k = 0.5893-0.0515 0.4666 ( 12108 PWs) bands (ev): -13.4828 -13.4828 -13.4042 -13.4042 -10.7410 -10.7410 -10.6530 -10.6530 -10.3837 -10.3837 -10.3765 -10.3765 -2.5373 -2.5373 -2.3693 -2.3693 -1.3738 -1.3738 -0.8849 -0.8849 -0.4514 -0.4514 -0.0884 -0.0884 1.8242 1.8242 1.9226 1.9226 2.2776 2.2776 2.2803 2.2803 3.1901 3.1901 3.2141 3.2141 3.5662 3.5662 3.6815 3.6815 3.9928 3.9928 4.1672 4.1672 4.4257 4.4257 4.7932 4.7932 7.3045 7.3045 7.6974 7.6974 7.9310 7.9310 7.9999 7.9999 8.4463 8.4463 8.4953 8.4953 8.7454 8.7454 8.9362 8.9362 9.5030 9.5030 9.5936 9.5936 10.8162 10.8162 k = 0.5804-0.0464 0.4811 ( 12113 PWs) bands (ev): -13.4807 -13.4807 -13.4062 -13.4062 -10.7388 -10.7388 -10.6557 -10.6557 -10.3834 -10.3834 -10.3766 -10.3766 -2.5356 -2.5356 -2.3705 -2.3705 -1.3744 -1.3744 -0.8832 -0.8832 -0.4547 -0.4547 -0.0867 -0.0867 1.8265 1.8265 1.9202 1.9202 2.2776 2.2776 2.2802 2.2802 3.1920 3.1920 3.2153 3.2153 3.5673 3.5673 3.6790 3.6790 3.9988 3.9988 4.1607 4.1607 4.4369 4.4369 4.7784 4.7784 7.3207 7.3207 7.6846 7.6846 7.9325 7.9325 8.0082 8.0082 8.4363 8.4363 8.4900 8.4900 8.7603 8.7603 8.9325 8.9325 9.5011 9.5011 9.5880 9.5880 10.8224 10.8224 k = 0.5714-0.0412 0.4957 ( 12123 PWs) bands (ev): -13.4782 -13.4782 -13.4087 -13.4087 -10.7362 -10.7362 -10.6589 -10.6589 -10.3831 -10.3831 -10.3766 -10.3766 -2.5338 -2.5338 -2.3719 -2.3719 -1.3750 -1.3750 -0.8812 -0.8812 -0.4584 -0.4584 -0.0848 -0.0848 1.8295 1.8295 1.9173 1.9173 2.2776 2.2776 2.2802 2.2802 3.1940 3.1940 3.2167 3.2167 3.5689 3.5689 3.6759 3.6759 4.0060 4.0060 4.1535 4.1535 4.4497 4.4497 4.7609 4.7609 7.3397 7.3397 7.6703 7.6703 7.9344 7.9344 8.0164 8.0164 8.4253 8.4253 8.4858 8.4858 8.7757 8.7757 8.9282 8.9282 9.4989 9.4989 9.5816 9.5816 10.8298 10.8298 k = 0.5625-0.0361 0.5103 ( 12135 PWs) bands (ev): -13.4753 -13.4753 -13.4116 -13.4116 -10.7331 -10.7331 -10.6626 -10.6626 -10.3827 -10.3827 -10.3766 -10.3766 -2.5317 -2.5317 -2.3735 -2.3735 -1.3758 -1.3758 -0.8790 -0.8790 -0.4623 -0.4623 -0.0829 -0.0829 1.8329 1.8329 1.9138 1.9138 2.2776 2.2776 2.2801 2.2801 3.1960 3.1960 3.2184 3.2184 3.5711 3.5711 3.6719 3.6719 4.0142 4.0142 4.1459 4.1459 4.4639 4.4639 4.7411 4.7411 7.3610 7.3610 7.6549 7.6549 7.9368 7.9368 8.0235 8.0235 8.4147 8.4147 8.4821 8.4821 8.7908 8.7908 8.9231 8.9231 9.4967 9.4967 9.5746 9.5746 10.8384 10.8384 k = 0.5536-0.0309 0.5249 ( 12125 PWs) bands (ev): -13.4719 -13.4719 -13.4149 -13.4149 -10.7295 -10.7295 -10.6667 -10.6667 -10.3824 -10.3824 -10.3766 -10.3766 -2.5296 -2.5296 -2.3751 -2.3751 -1.3765 -1.3765 -0.8767 -0.8767 -0.4664 -0.4664 -0.0809 -0.0809 1.8369 1.8369 1.9097 1.9097 2.2776 2.2776 2.2800 2.2800 3.1980 3.1980 3.2203 3.2203 3.5741 3.5741 3.6671 3.6671 4.0232 4.0232 4.1382 4.1382 4.4793 4.4793 4.7196 4.7196 7.3840 7.3840 7.6387 7.6387 7.9398 7.9398 8.0287 8.0287 8.4057 8.4057 8.4786 8.4786 8.8052 8.8052 8.9174 8.9174 9.4946 9.4946 9.5675 9.5675 10.8480 10.8480 k = 0.5446-0.0258 0.5395 ( 12134 PWs) bands (ev): -13.4681 -13.4681 -13.4186 -13.4186 -10.7255 -10.7255 -10.6713 -10.6713 -10.3821 -10.3821 -10.3767 -10.3767 -2.5275 -2.5275 -2.3768 -2.3768 -1.3772 -1.3772 -0.8745 -0.8745 -0.4703 -0.4703 -0.0790 -0.0790 1.8415 1.8415 1.9051 1.9051 2.2776 2.2776 2.2800 2.2800 3.1999 3.1999 3.2222 3.2222 3.5780 3.5780 3.6615 3.6615 4.0327 4.0327 4.1305 4.1305 4.4955 4.4955 4.6968 4.6968 7.4083 7.4083 7.6218 7.6218 7.9437 7.9437 8.0312 8.0312 8.3992 8.3992 8.4750 8.4750 8.8186 8.8186 8.9112 8.9112 9.4928 9.4928 9.5604 9.5604 10.8583 10.8584 k = 0.5357-0.0206 0.5541 ( 12128 PWs) bands (ev): -13.4639 -13.4639 -13.4228 -13.4228 -10.7211 -10.7211 -10.6762 -10.6762 -10.3819 -10.3819 -10.3767 -10.3767 -2.5255 -2.5255 -2.3784 -2.3784 -1.3778 -1.3778 -0.8723 -0.8723 -0.4740 -0.4740 -0.0773 -0.0773 1.8466 1.8466 1.9000 1.9000 2.2776 2.2776 2.2799 2.2799 3.2016 3.2016 3.2241 3.2241 3.5830 3.5830 3.6548 3.6548 4.0423 4.0423 4.1231 4.1231 4.5125 4.5125 4.6733 4.6733 7.4329 7.4329 7.6046 7.6046 7.9489 7.9489 8.0304 8.0304 8.3958 8.3958 8.4711 8.4711 8.8305 8.8305 8.9048 8.9048 9.4913 9.4913 9.5537 9.5537 10.8694 10.8694 k = 0.5268-0.0155 0.5686 ( 12128 PWs) bands (ev): -13.4593 -13.4593 -13.4273 -13.4273 -10.7163 -10.7163 -10.6815 -10.6815 -10.3816 -10.3816 -10.3767 -10.3767 -2.5238 -2.5238 -2.3798 -2.3798 -1.3783 -1.3783 -0.8704 -0.8704 -0.4772 -0.4772 -0.0758 -0.0758 1.8523 1.8523 1.8944 1.8944 2.2775 2.2775 2.2799 2.2799 3.2030 3.2030 3.2258 3.2258 3.5893 3.5893 3.6471 3.6471 4.0514 4.0514 4.1165 4.1165 4.5299 4.5299 4.6496 4.6496 7.4572 7.4572 7.5873 7.5873 7.9556 7.9556 8.0259 8.0259 8.3954 8.3954 8.4671 8.4671 8.8407 8.8407 8.8983 8.8983 9.4902 9.4902 9.5477 9.5477 10.8808 10.8808 k = 0.5179-0.0103 0.5832 ( 12130 PWs) bands (ev): -13.4543 -13.4543 -13.4323 -13.4323 -10.7111 -10.7111 -10.6871 -10.6871 -10.3815 -10.3815 -10.3767 -10.3767 -2.5224 -2.5224 -2.3809 -2.3809 -1.3787 -1.3787 -0.8689 -0.8689 -0.4797 -0.4797 -0.0747 -0.0747 1.8584 1.8584 1.8883 1.8883 2.2775 2.2775 2.2799 2.2799 3.2041 3.2041 3.2271 3.2271 3.5969 3.5969 3.6384 3.6384 4.0592 4.0592 4.1110 4.1110 4.5478 4.5478 4.6265 4.6265 7.4799 7.4799 7.5704 7.5704 7.9643 7.9643 8.0179 8.0179 8.3974 8.3974 8.4631 8.4631 8.8489 8.8489 8.8923 8.8923 9.4896 9.4896 9.5430 9.5430 10.8922 10.8923 k = 0.5089-0.0052 0.5978 ( 12130 PWs) bands (ev): -13.4490 -13.4490 -13.4376 -13.4376 -10.7056 -10.7056 -10.6928 -10.6928 -10.3814 -10.3814 -10.3766 -10.3766 -2.5215 -2.5215 -2.3816 -2.3816 -1.3789 -1.3789 -0.8679 -0.8679 -0.4813 -0.4813 -0.0739 -0.0739 1.8647 1.8647 1.8820 1.8820 2.2775 2.2775 2.2798 2.2798 3.2049 3.2049 3.2279 3.2279 3.6060 3.6060 3.6286 3.6286 4.0644 4.0644 4.1075 4.1075 4.5658 4.5658 4.6048 4.6048 7.4987 7.4987 7.5555 7.5555 7.9748 7.9748 8.0071 8.0071 8.4002 8.4002 8.4598 8.4598 8.8545 8.8545 8.8877 8.8877 9.4893 9.4893 9.5399 9.5399 10.9027 10.9027 k = 0.5000-0.0000 0.6124 ( 12180 PWs) bands (ev): -13.4435 -13.4435 -13.4431 -13.4431 -10.7012 -10.7012 -10.6973 -10.6973 -10.3814 -10.3814 -10.3766 -10.3766 -2.5212 -2.5212 -2.3819 -2.3819 -1.3790 -1.3790 -0.8675 -0.8675 -0.4819 -0.4819 -0.0737 -0.0737 1.8689 1.8689 1.8778 1.8778 2.2775 2.2775 2.2798 2.2798 3.2051 3.2051 3.2282 3.2282 3.6147 3.6147 3.6196 3.6196 4.0661 4.0661 4.1064 4.1064 4.5805 4.5805 4.5887 4.5887 7.5074 7.5074 7.5483 7.5483 7.9832 7.9832 7.9984 7.9984 8.4017 8.4017 8.4584 8.4584 8.8565 8.8565 8.8859 8.8859 9.4892 9.4892 9.5387 9.5387 10.9081 10.9086 k = 0.5000-0.0000 0.6124 ( 12180 PWs) bands (ev): -13.4435 -13.4435 -13.4431 -13.4431 -10.7012 -10.7012 -10.6973 -10.6973 -10.3814 -10.3814 -10.3766 -10.3766 -2.5212 -2.5212 -2.3819 -2.3819 -1.3790 -1.3790 -0.8675 -0.8675 -0.4819 -0.4819 -0.0737 -0.0737 1.8689 1.8689 1.8778 1.8778 2.2775 2.2775 2.2798 2.2798 3.2051 3.2051 3.2282 3.2282 3.6147 3.6147 3.6196 3.6196 4.0661 4.0661 4.1064 4.1064 4.5805 4.5805 4.5887 4.5887 7.5074 7.5074 7.5483 7.5483 7.9832 7.9832 7.9984 7.9984 8.4017 8.4017 8.4584 8.4584 8.8565 8.8565 8.8859 8.8859 9.4892 9.4892 9.5387 9.5387 10.9081 10.9083 k = 0.5000 0.0107 0.5973 ( 12132 PWs) bands (ev): -13.4519 -13.4519 -13.4347 -13.4347 -10.7085 -10.7085 -10.6899 -10.6899 -10.3814 -10.3814 -10.3766 -10.3766 -2.5220 -2.5220 -2.3808 -2.3808 -1.3797 -1.3797 -0.8668 -0.8668 -0.4823 -0.4823 -0.0740 -0.0740 1.8612 1.8612 1.8855 1.8855 2.2775 2.2775 2.2798 2.2798 3.2052 3.2052 3.2284 3.2284 3.5995 3.5995 3.6341 3.6341 4.0638 4.0638 4.1093 4.1093 4.5577 4.5577 4.6125 4.6125 7.4929 7.4929 7.5624 7.5624 7.9658 7.9658 8.0142 8.0142 8.3984 8.3984 8.4621 8.4621 8.8517 8.8517 8.8882 8.8882 9.4900 9.4900 9.5418 9.5418 10.8999 10.8999 k = 0.5000 0.0214 0.5821 ( 12134 PWs) bands (ev): -13.4605 -13.4605 -13.4262 -13.4262 -10.7173 -10.7173 -10.6808 -10.6808 -10.3815 -10.3815 -10.3765 -10.3765 -2.5243 -2.5243 -2.3777 -2.3777 -1.3817 -1.3817 -0.8645 -0.8645 -0.4837 -0.4837 -0.0749 -0.0749 1.8503 1.8503 1.8963 1.8963 2.2775 2.2775 2.2799 2.2799 3.2055 3.2055 3.2290 3.2290 3.5814 3.5814 3.6499 3.6499 4.0580 4.0580 4.1165 4.1165 4.5322 4.5322 4.6409 4.6409 7.4676 7.4676 7.5867 7.5867 7.9413 7.9413 8.0340 8.0340 8.3903 8.3903 8.4714 8.4714 8.8404 8.8404 8.8919 8.8919 9.4926 9.4926 9.5503 9.5503 10.8893 10.8893 k = 0.5000 0.0321 0.5670 ( 12134 PWs) bands (ev): -13.4690 -13.4690 -13.4177 -13.4177 -10.7261 -10.7261 -10.6715 -10.6715 -10.3816 -10.3816 -10.3764 -10.3764 -2.5278 -2.5278 -2.3727 -2.3727 -1.3849 -1.3849 -0.8608 -0.8608 -0.4860 -0.4860 -0.0764 -0.0764 1.8390 1.8390 1.9074 1.9074 2.2774 2.2774 2.2799 2.2799 3.2060 3.2060 3.2300 3.2300 3.5627 3.5627 3.6649 3.6649 4.0507 4.0507 4.1259 4.1259 4.5076 4.5076 4.6703 4.6703 7.4405 7.4405 7.6116 7.6116 7.9155 7.9155 8.0525 8.0525 8.3803 8.3803 8.4834 8.4834 8.8262 8.8262 8.8939 8.8939 9.4980 9.4980 9.5632 9.5632 10.8816 10.8816 k = 0.5000 0.0428 0.5519 ( 12138 PWs) bands (ev): -13.4775 -13.4775 -13.4093 -13.4093 -10.7347 -10.7347 -10.6623 -10.6623 -10.3817 -10.3817 -10.3762 -10.3762 -2.5325 -2.5325 -2.3662 -2.3662 -1.3893 -1.3893 -0.8558 -0.8558 -0.4891 -0.4891 -0.0785 -0.0785 1.8277 1.8277 1.9184 1.9184 2.2774 2.2774 2.2799 2.2799 3.2068 3.2068 3.2313 3.2313 3.5436 3.5436 3.6789 3.6789 4.0430 4.0430 4.1366 4.1366 4.4840 4.4840 4.7007 4.7007 7.4130 7.4130 7.6347 7.6347 7.8897 7.8897 8.0696 8.0696 8.3698 8.3698 8.4962 8.4962 8.8105 8.8105 8.8930 8.8930 9.5067 9.5067 9.5794 9.5794 10.8774 10.8774 k = 0.5000 0.0535 0.5368 ( 12136 PWs) bands (ev): -13.4859 -13.4859 -13.4011 -13.4011 -10.7431 -10.7431 -10.6531 -10.6531 -10.3819 -10.3819 -10.3760 -10.3760 -2.5379 -2.5379 -2.3583 -2.3583 -1.3948 -1.3948 -0.8496 -0.8496 -0.4930 -0.4930 -0.0812 -0.0812 1.8163 1.8163 1.9294 1.9294 2.2773 2.2773 2.2799 2.2799 3.2080 3.2080 3.2328 3.2328 3.5242 3.5242 3.6920 3.6920 4.0350 4.0350 4.1478 4.1478 4.4615 4.4615 4.7322 4.7322 7.3857 7.3857 7.6539 7.6539 7.8661 7.8661 8.0852 8.0852 8.3597 8.3597 8.5090 8.5090 8.7943 8.7943 8.8889 8.8889 9.5189 9.5189 9.5980 9.5980 10.8769 10.8769 k = 0.5000 0.0642 0.5217 ( 12138 PWs) bands (ev): -13.4941 -13.4941 -13.3930 -13.3930 -10.7513 -10.7513 -10.6439 -10.6439 -10.3821 -10.3821 -10.3758 -10.3758 -2.5438 -2.5438 -2.3493 -2.3493 -1.4012 -1.4012 -0.8423 -0.8423 -0.4975 -0.4975 -0.0845 -0.0845 1.8050 1.8050 1.9402 1.9402 2.2772 2.2772 2.2800 2.2800 3.2097 3.2097 3.2345 3.2345 3.5047 3.5047 3.7041 3.7041 4.0270 4.0270 4.1593 4.1593 4.4402 4.4402 4.7646 4.7646 7.3587 7.3587 7.6654 7.6654 7.8480 7.8480 8.0994 8.0994 8.3501 8.3501 8.5210 8.5210 8.7782 8.7782 8.8817 8.8817 9.5346 9.5346 9.6185 9.6185 10.8801 10.8801 k = 0.5000 0.0748 0.5065 ( 12130 PWs) bands (ev): -13.5021 -13.5021 -13.3851 -13.3851 -10.7592 -10.7592 -10.6348 -10.6348 -10.3822 -10.3822 -10.3756 -10.3756 -2.5501 -2.5501 -2.3395 -2.3395 -1.4084 -1.4084 -0.8342 -0.8342 -0.5025 -0.5025 -0.0883 -0.0883 1.7936 1.7936 1.9509 1.9509 2.2771 2.2771 2.2800 2.2800 3.2119 3.2119 3.2364 3.2364 3.4852 3.4852 3.7152 3.7152 4.0188 4.0188 4.1708 4.1708 4.4201 4.4201 4.7980 4.7980 7.3323 7.3323 7.6648 7.6648 7.8404 7.8404 8.1124 8.1124 8.3412 8.3412 8.5319 8.5319 8.7627 8.7627 8.8717 8.8717 9.5532 9.5532 9.6402 9.6402 10.8870 10.8870 k = 0.5000 0.0855 0.4914 ( 12128 PWs) bands (ev): -13.5100 -13.5100 -13.3774 -13.3774 -10.7669 -10.7669 -10.6258 -10.6258 -10.3824 -10.3824 -10.3754 -10.3754 -2.5566 -2.5566 -2.3291 -2.3291 -1.4163 -1.4163 -0.8255 -0.8255 -0.5080 -0.5080 -0.0927 -0.0927 1.7822 1.7822 1.9614 1.9614 2.2770 2.2770 2.2800 2.2800 3.2147 3.2147 3.2385 3.2385 3.4660 3.4660 3.7255 3.7255 4.0103 4.0103 4.1821 4.1821 4.4014 4.4014 4.8323 4.8323 7.3064 7.3064 7.6498 7.6498 7.8455 7.8455 8.1244 8.1244 8.3332 8.3332 8.5409 8.5409 8.7486 8.7486 8.8591 8.8591 9.5743 9.5743 9.6628 9.6628 10.8976 10.8976 k = 0.5000 0.0962 0.4763 ( 12130 PWs) bands (ev): -13.5177 -13.5177 -13.3700 -13.3700 -10.7743 -10.7743 -10.6170 -10.6170 -10.3826 -10.3826 -10.3752 -10.3752 -2.5632 -2.5632 -2.3181 -2.3181 -1.4247 -1.4247 -0.8163 -0.8163 -0.5136 -0.5136 -0.0975 -0.0975 1.7709 1.7709 1.9717 1.9717 2.2769 2.2769 2.2800 2.2800 3.2178 3.2178 3.2408 3.2408 3.4470 3.4470 3.7348 3.7348 4.0014 4.0014 4.1930 4.1930 4.3841 4.3841 4.8676 4.8676 7.2813 7.2813 7.6232 7.6232 7.8606 7.8606 8.1353 8.1353 8.3260 8.3260 8.5475 8.5475 8.7364 8.7364 8.8444 8.8444 9.5974 9.5974 9.6859 9.6859 10.9115 10.9115 k = 0.5000 0.1069 0.4612 ( 12128 PWs) bands (ev): -13.5251 -13.5251 -13.3628 -13.3628 -10.7814 -10.7814 -10.6083 -10.6083 -10.3827 -10.3827 -10.3751 -10.3751 -2.5698 -2.5698 -2.3068 -2.3068 -1.4336 -1.4336 -0.8069 -0.8069 -0.5194 -0.5194 -0.1029 -0.1029 1.7596 1.7596 1.9817 1.9817 2.2767 2.2767 2.2801 2.2801 3.2213 3.2213 3.2436 3.2436 3.4286 3.4286 3.7432 3.7432 3.9921 3.9921 4.2034 4.2034 4.3683 4.3683 4.9037 4.9037 7.2569 7.2569 7.5895 7.5895 7.8817 7.8817 8.1454 8.1454 8.3196 8.3196 8.5513 8.5513 8.7266 8.7266 8.8279 8.8279 9.6219 9.6219 9.7092 9.7092 10.9286 10.9286 k = 0.5000 0.1176 0.4460 ( 12138 PWs) bands (ev): -13.5322 -13.5322 -13.3559 -13.3559 -10.7882 -10.7882 -10.5999 -10.5999 -10.3829 -10.3829 -10.3749 -10.3749 -2.5763 -2.5763 -2.2952 -2.2952 -1.4427 -1.4427 -0.7974 -0.7974 -0.5251 -0.5251 -0.1087 -0.1087 1.7485 1.7485 1.9913 1.9913 2.2766 2.2766 2.2801 2.2801 3.2249 3.2249 3.2470 3.2470 3.4107 3.4107 3.7507 3.7507 3.9822 3.9822 4.2132 4.2132 4.3541 4.3541 4.9406 4.9406 7.2334 7.2334 7.5515 7.5515 7.9061 7.9061 8.1547 8.1547 8.3141 8.3141 8.5518 8.5518 8.7194 8.7194 8.8102 8.8102 9.6472 9.6472 9.7324 9.7324 10.9485 10.9485 k = 0.5000 0.1283 0.4309 ( 12136 PWs) bands (ev): -13.5390 -13.5390 -13.3493 -13.3493 -10.7946 -10.7946 -10.5917 -10.5917 -10.3830 -10.3830 -10.3749 -10.3749 -2.5827 -2.5827 -2.2835 -2.2835 -1.4519 -1.4519 -0.7881 -0.7881 -0.5305 -0.5305 -0.1148 -0.1148 1.7375 1.7375 2.0006 2.0006 2.2765 2.2765 2.2801 2.2801 3.2282 3.2282 3.2514 3.2514 3.3937 3.3937 3.7575 3.7575 3.9716 3.9716 4.2223 4.2223 4.3414 4.3414 4.9780 4.9780 7.2109 7.2109 7.5111 7.5111 7.9321 7.9321 8.1633 8.1633 8.3093 8.3093 8.5492 8.5492 8.7146 8.7146 8.7918 8.7918 9.6729 9.6729 9.7553 9.7553 10.9706 10.9706 k = 0.5000 0.1390 0.4158 ( 12130 PWs) bands (ev): -13.5455 -13.5455 -13.3430 -13.3430 -10.8007 -10.8007 -10.5838 -10.5838 -10.3832 -10.3832 -10.3748 -10.3748 -2.5889 -2.5889 -2.2717 -2.2717 -1.4613 -1.4613 -0.7791 -0.7791 -0.5355 -0.5355 -0.1213 -0.1213 1.7267 1.7267 2.0095 2.0095 2.2763 2.2763 2.2801 2.2801 3.2309 3.2309 3.2569 3.2569 3.3775 3.3775 3.7635 3.7635 3.9604 3.9604 4.2307 4.2307 4.3304 4.3304 5.0158 5.0158 7.1893 7.1893 7.4693 7.4693 7.9591 7.9591 8.1713 8.1713 8.3053 8.3053 8.5436 8.5436 8.7111 8.7111 8.7735 8.7735 9.6986 9.6986 9.7776 9.7776 10.9944 10.9944 k = 0.5000 0.1497 0.4007 ( 12124 PWs) bands (ev): -13.5517 -13.5517 -13.3371 -13.3371 -10.8065 -10.8065 -10.5762 -10.5762 -10.3833 -10.3833 -10.3748 -10.3748 -2.5948 -2.5948 -2.2601 -2.2601 -1.4706 -1.4706 -0.7706 -0.7706 -0.5399 -0.5399 -0.1280 -0.1280 1.7162 1.7162 2.0180 2.0180 2.2762 2.2762 2.2801 2.2801 3.2329 3.2329 3.2635 3.2635 3.3625 3.3625 3.7686 3.7686 3.9486 3.9486 4.2383 4.2383 4.3208 4.3208 5.0537 5.0537 7.1688 7.1688 7.4269 7.4269 7.9866 7.9866 8.1787 8.1787 8.3020 8.3020 8.5359 8.5359 8.7068 8.7068 8.7573 8.7573 9.7238 9.7238 9.7992 9.7992 11.0193 11.0193 k = 0.5000 0.1604 0.3856 ( 12118 PWs) bands (ev): -13.5575 -13.5575 -13.3315 -13.3315 -10.8118 -10.8118 -10.5689 -10.5689 -10.3834 -10.3834 -10.3748 -10.3748 -2.6004 -2.6004 -2.2486 -2.2486 -1.4797 -1.4797 -0.7628 -0.7628 -0.5437 -0.5437 -0.1349 -0.1349 1.7060 1.7060 2.0260 2.0260 2.2760 2.2760 2.2802 2.2802 3.2342 3.2342 3.2709 3.2709 3.3488 3.3488 3.7730 3.7730 3.9363 3.9363 4.2452 4.2452 4.3128 4.3128 5.0916 5.0916 7.1492 7.1492 7.3846 7.3846 8.0142 8.0142 8.1857 8.1857 8.2996 8.2996 8.5267 8.5267 8.6978 8.6978 8.7463 8.7463 9.7481 9.7481 9.8200 9.8200 11.0444 11.0444 k = 0.5000 0.1711 0.3704 ( 12110 PWs) bands (ev): -13.5629 -13.5629 -13.3264 -13.3264 -10.8168 -10.8168 -10.5620 -10.5620 -10.3836 -10.3836 -10.3749 -10.3749 -2.6057 -2.6057 -2.2374 -2.2374 -1.4886 -1.4886 -0.7559 -0.7559 -0.5465 -0.5465 -0.1419 -0.1419 1.6963 1.6963 2.0334 2.0334 2.2759 2.2759 2.2802 2.2802 3.2349 3.2349 3.2787 3.2787 3.3369 3.3369 3.7766 3.7766 3.9236 3.9236 4.2512 4.2512 4.3062 4.3062 5.1289 5.1289 7.1307 7.1307 7.3429 7.3429 8.0416 8.0416 8.1922 8.1922 8.2979 8.2979 8.5166 8.5166 8.6822 8.6822 8.7423 8.7423 9.7713 9.7713 9.8398 9.8398 11.0689 11.0689 k = 0.5000 0.1818 0.3553 ( 12098 PWs) bands (ev): -13.5679 -13.5679 -13.3216 -13.3216 -10.8213 -10.8213 -10.5556 -10.5556 -10.3838 -10.3838 -10.3749 -10.3749 -2.6107 -2.6107 -2.2266 -2.2266 -1.4972 -1.4972 -0.7499 -0.7499 -0.5485 -0.5485 -0.1489 -0.1489 1.6870 1.6870 2.0403 2.0403 2.2758 2.2758 2.2802 2.2802 3.2352 3.2352 3.2857 3.2857 3.3277 3.3277 3.7794 3.7794 3.9110 3.9110 4.2565 4.2565 4.3008 4.3008 5.1655 5.1655 7.1133 7.1133 7.3026 7.3026 8.0686 8.0686 8.1985 8.1985 8.2970 8.2970 8.5061 8.5061 8.6621 8.6621 8.7427 8.7427 9.7932 9.7932 9.8584 9.8584 11.0921 11.0921 k = 0.5000 0.1925 0.3402 ( 12088 PWs) bands (ev): -13.5725 -13.5725 -13.3172 -13.3172 -10.8255 -10.8255 -10.5496 -10.5496 -10.3839 -10.3839 -10.3750 -10.3750 -2.6153 -2.6153 -2.2163 -2.2163 -1.5054 -1.5054 -0.7449 -0.7449 -0.5496 -0.5496 -0.1557 -0.1557 1.6783 1.6783 2.0467 2.0467 2.2756 2.2756 2.2802 2.2802 3.2349 3.2349 3.2896 3.2896 3.3234 3.3234 3.7812 3.7812 3.8985 3.8985 4.2610 4.2610 4.2965 4.2965 5.2009 5.2009 7.0968 7.0968 7.2642 7.2642 8.0949 8.0949 8.2045 8.2045 8.2970 8.2970 8.4955 8.4955 8.6397 8.6397 8.7451 8.7451 9.8134 9.8134 9.8757 9.8757 11.1133 11.1133 k = 0.5000 0.2031 0.3251 ( 12084 PWs) bands (ev): -13.5766 -13.5766 -13.3133 -13.3133 -10.8293 -10.8293 -10.5441 -10.5441 -10.3841 -10.3841 -10.3751 -10.3751 -2.6195 -2.6195 -2.2066 -2.2066 -1.5130 -1.5130 -0.7408 -0.7408 -0.5499 -0.5499 -0.1623 -0.1623 1.6703 1.6703 2.0524 2.0524 2.2755 2.2755 2.2802 2.2802 3.2341 3.2341 3.2885 3.2885 3.3258 3.3258 3.7821 3.7821 3.8867 3.8867 4.2648 4.2648 4.2933 4.2933 5.2346 5.2346 7.0811 7.0811 7.2283 7.2283 8.1198 8.1198 8.2107 8.2107 8.2981 8.2981 8.4853 8.4853 8.6161 8.6161 8.7482 8.7482 9.8317 9.8317 9.8917 9.8917 11.1318 11.1318 k = 0.5000 0.2138 0.3100 ( 12088 PWs) bands (ev): -13.5803 -13.5803 -13.3098 -13.3098 -10.8326 -10.8326 -10.5392 -10.5392 -10.3843 -10.3843 -10.3752 -10.3752 -2.6233 -2.6233 -2.1978 -2.1978 -1.5200 -1.5200 -0.7377 -0.7377 -0.5494 -0.5494 -0.1685 -0.1685 1.6630 1.6630 2.0575 2.0575 2.2754 2.2754 2.2802 2.2802 3.2329 3.2329 3.2843 3.2843 3.3327 3.3327 3.7819 3.7819 3.8759 3.8759 4.2678 4.2678 4.2910 4.2910 5.2662 5.2662 7.0662 7.0662 7.1958 7.1958 8.1427 8.1427 8.2172 8.2172 8.3005 8.3005 8.4756 8.4756 8.5919 8.5919 8.7514 8.7514 9.8482 9.8482 9.9061 9.9061 11.1475 11.1475 k = 0.5000 0.2245 0.2948 ( 12086 PWs) bands (ev): -13.5835 -13.5835 -13.3067 -13.3067 -10.8355 -10.8355 -10.5348 -10.5348 -10.3846 -10.3846 -10.3753 -10.3753 -2.6266 -2.6266 -2.1898 -2.1898 -1.5264 -1.5264 -0.7354 -0.7354 -0.5484 -0.5484 -0.1742 -0.1742 1.6565 1.6565 2.0620 2.0620 2.2753 2.2753 2.2802 2.2802 3.2312 3.2312 3.2796 3.2796 3.3412 3.3412 3.7806 3.7806 3.8664 3.8664 4.2701 4.2701 4.2895 4.2895 5.2950 5.2950 7.0520 7.0520 7.1672 7.1672 8.1625 8.1625 8.2248 8.2248 8.3045 8.3045 8.4665 8.4665 8.5674 8.5674 8.7546 8.7546 9.8625 9.8625 9.9190 9.9190 11.1602 11.1602 k = 0.5000 0.2352 0.2797 ( 12086 PWs) bands (ev): -13.5863 -13.5863 -13.3041 -13.3041 -10.8379 -10.8379 -10.5310 -10.5310 -10.3848 -10.3848 -10.3754 -10.3754 -2.6294 -2.6294 -2.1828 -2.1828 -1.5319 -1.5319 -0.7338 -0.7338 -0.5470 -0.5470 -0.1794 -0.1794 1.6509 1.6509 2.0658 2.0658 2.2752 2.2752 2.2802 2.2802 3.2294 3.2294 3.2755 3.2755 3.3499 3.3499 3.7783 3.7783 3.8587 3.8587 4.2718 4.2718 4.2887 4.2887 5.3207 5.3207 7.0386 7.0386 7.1431 7.1431 8.1779 8.1779 8.2337 8.2337 8.3109 8.3109 8.4581 8.4581 8.5431 8.5431 8.7574 8.7574 9.8747 9.8747 9.9301 9.9301 11.1701 11.1701 k = 0.5000 0.2459 0.2646 ( 12088 PWs) bands (ev): -13.5885 -13.5885 -13.3020 -13.3020 -10.8399 -10.8399 -10.5279 -10.5279 -10.3850 -10.3850 -10.3754 -10.3754 -2.6318 -2.6318 -2.1769 -2.1769 -1.5366 -1.5366 -0.7327 -0.7327 -0.5455 -0.5455 -0.1838 -0.1838 1.6463 1.6463 2.0690 2.0690 2.2751 2.2751 2.2802 2.2802 3.2274 3.2274 3.2723 3.2723 3.3579 3.3579 3.7754 3.7754 3.8527 3.8527 4.2728 4.2728 4.2884 4.2884 5.3426 5.3426 7.0260 7.0260 7.1239 7.1239 8.1885 8.1885 8.2432 8.2432 8.3203 8.3203 8.4504 8.4504 8.5193 8.5193 8.7598 8.7598 9.8847 9.8847 9.9395 9.9395 11.1775 11.1775 k = 0.5000 0.2566 0.2495 ( 12090 PWs) bands (ev): -13.5903 -13.5903 -13.3003 -13.3003 -10.8415 -10.8415 -10.5254 -10.5254 -10.3851 -10.3851 -10.3755 -10.3755 -2.6336 -2.6336 -2.1722 -2.1722 -1.5403 -1.5403 -0.7320 -0.7320 -0.5441 -0.5441 -0.1874 -0.1874 1.6426 1.6426 2.0714 2.0714 2.2750 2.2750 2.2802 2.2802 3.2256 3.2256 3.2700 3.2700 3.3647 3.3647 3.7722 3.7722 3.8484 3.8484 4.2734 4.2734 4.2885 4.2885 5.3603 5.3603 7.0151 7.0151 7.1095 7.1095 8.1952 8.1952 8.2516 8.2516 8.3333 8.3333 8.4430 8.4430 8.4971 8.4971 8.7617 8.7617 9.8925 9.8925 9.9468 9.9468 11.1827 11.1827 k = 0.5000 0.2673 0.2344 ( 12092 PWs) bands (ev): -13.5916 -13.5916 -13.2991 -13.2991 -10.8426 -10.8426 -10.5236 -10.5236 -10.3852 -10.3852 -10.3755 -10.3755 -2.6349 -2.6349 -2.1687 -2.1687 -1.5430 -1.5430 -0.7316 -0.7316 -0.5429 -0.5429 -0.1900 -0.1900 1.6399 1.6399 2.0732 2.0732 2.2750 2.2750 2.2802 2.2802 3.2242 3.2242 3.2684 3.2684 3.3699 3.3699 3.7693 3.7693 3.8455 3.8455 4.2738 4.2738 4.2886 4.2886 5.3733 5.3733 7.0064 7.0064 7.0997 7.0997 8.1992 8.1992 8.2576 8.2576 8.3489 8.3489 8.4349 8.4349 8.4784 8.4784 8.7631 8.7631 9.8981 9.8981 9.9522 9.9522 11.1862 11.1862 k = 0.5000 0.2780 0.2192 ( 12076 PWs) bands (ev): -13.5923 -13.5923 -13.2984 -13.2984 -10.8433 -10.8433 -10.5225 -10.5225 -10.3853 -10.3853 -10.3755 -10.3755 -2.6357 -2.6357 -2.1667 -2.1667 -1.5447 -1.5447 -0.7314 -0.7314 -0.5421 -0.5421 -0.1916 -0.1916 1.6383 1.6383 2.0742 2.0742 2.2749 2.2749 2.2802 2.2802 3.2233 3.2233 3.2675 3.2675 3.3732 3.3732 3.7673 3.7673 3.8440 3.8440 4.2740 4.2740 4.2887 4.2887 5.3812 5.3812 7.0009 7.0009 7.0940 7.0940 8.2013 8.2013 8.2611 8.2611 8.3643 8.3643 8.4254 8.4254 8.4663 8.4663 8.7639 8.7639 9.9014 9.9014 9.9554 9.9554 11.1882 11.1882 k = 0.5000 0.2887 0.2041 ( 12104 PWs) bands (ev): -13.5926 -13.5926 -13.2982 -13.2982 -10.8435 -10.8435 -10.5221 -10.5221 -10.3854 -10.3854 -10.3756 -10.3756 -2.6360 -2.6360 -2.1660 -2.1660 -1.5452 -1.5452 -0.7313 -0.7313 -0.5419 -0.5419 -0.1921 -0.1921 1.6378 1.6378 2.0746 2.0746 2.2749 2.2749 2.2802 2.2802 3.2229 3.2229 3.2672 3.2672 3.3743 3.3743 3.7666 3.7666 3.8435 3.8435 4.2740 4.2740 4.2888 4.2888 5.3839 5.3839 6.9990 6.9990 7.0921 7.0921 8.2020 8.2020 8.2623 8.2623 8.3720 8.3720 8.4196 8.4196 8.4624 8.4624 8.7642 8.7642 9.9025 9.9025 9.9565 9.9565 11.1888 11.1888 k = 0.5000 0.2887 0.2041 ( 12104 PWs) bands (ev): -13.5926 -13.5926 -13.2982 -13.2982 -10.8435 -10.8435 -10.5221 -10.5221 -10.3854 -10.3854 -10.3756 -10.3756 -2.6360 -2.6360 -2.1660 -2.1660 -1.5452 -1.5452 -0.7313 -0.7313 -0.5419 -0.5419 -0.1921 -0.1921 1.6378 1.6378 2.0746 2.0746 2.2749 2.2749 2.2802 2.2802 3.2229 3.2229 3.2672 3.2672 3.3743 3.3743 3.7666 3.7666 3.8435 3.8435 4.2740 4.2740 4.2888 4.2888 5.3839 5.3839 6.9990 6.9990 7.0921 7.0921 8.2020 8.2020 8.2623 8.2623 8.3720 8.3720 8.4196 8.4196 8.4624 8.4624 8.7642 8.7642 9.9025 9.9025 9.9565 9.9565 11.1888 11.1888 k = 0.4946 0.2855 0.2219 ( 12078 PWs) bands (ev): -13.5923 -13.5923 -13.2984 -13.2984 -10.8433 -10.8433 -10.5225 -10.5225 -10.3853 -10.3853 -10.3755 -10.3755 -2.6357 -2.6357 -2.1667 -2.1667 -1.5446 -1.5446 -0.7314 -0.7314 -0.5421 -0.5421 -0.1916 -0.1916 1.6383 1.6383 2.0742 2.0742 2.2749 2.2749 2.2802 2.2802 3.2233 3.2233 3.2675 3.2675 3.3732 3.3732 3.7674 3.7674 3.8440 3.8440 4.2740 4.2740 4.2887 4.2887 5.3811 5.3811 7.0010 7.0010 7.0941 7.0941 8.2013 8.2013 8.2611 8.2611 8.3641 8.3641 8.4255 8.4255 8.4665 8.4665 8.7639 8.7639 9.9014 9.9014 9.9554 9.9554 11.1881 11.1881 k = 0.4891 0.2824 0.2396 ( 12085 PWs) bands (ev): -13.5915 -13.5915 -13.2992 -13.2992 -10.8426 -10.8426 -10.5236 -10.5236 -10.3852 -10.3852 -10.3755 -10.3755 -2.6349 -2.6349 -2.1688 -2.1688 -1.5429 -1.5429 -0.7316 -0.7316 -0.5429 -0.5429 -0.1899 -0.1899 1.6400 1.6400 2.0731 2.0731 2.2750 2.2750 2.2802 2.2802 3.2242 3.2242 3.2684 3.2684 3.3698 3.3698 3.7694 3.7694 3.8456 3.8456 4.2738 4.2738 4.2886 4.2886 5.3729 5.3729 7.0067 7.0067 7.1000 7.1000 8.1991 8.1991 8.2574 8.2574 8.3484 8.3484 8.4352 8.4352 8.4790 8.4790 8.7631 8.7631 9.8979 9.8979 9.9520 9.9520 11.1861 11.1861 k = 0.4837 0.2793 0.2574 ( 12079 PWs) bands (ev): -13.5902 -13.5902 -13.3004 -13.3004 -10.8414 -10.8414 -10.5255 -10.5255 -10.3851 -10.3851 -10.3755 -10.3755 -2.6335 -2.6335 -2.1724 -2.1724 -1.5401 -1.5401 -0.7320 -0.7320 -0.5441 -0.5441 -0.1872 -0.1872 1.6427 1.6427 2.0713 2.0713 2.2750 2.2750 2.2802 2.2802 3.2257 3.2257 3.2701 3.2701 3.3644 3.3644 3.7723 3.7723 3.8485 3.8485 4.2734 4.2734 4.2884 4.2884 5.3595 5.3595 7.0156 7.0156 7.1102 7.1102 8.1951 8.1951 8.2509 8.2509 8.3329 8.3329 8.4432 8.4432 8.4983 8.4983 8.7616 8.7616 9.8922 9.8922 9.9465 9.9465 11.1825 11.1825 k = 0.4783 0.2761 0.2751 ( 12085 PWs) bands (ev): -13.5884 -13.5884 -13.3021 -13.3021 -10.8398 -10.8398 -10.5280 -10.5280 -10.3849 -10.3849 -10.3754 -10.3754 -2.6316 -2.6316 -2.1772 -2.1772 -1.5363 -1.5363 -0.7327 -0.7327 -0.5456 -0.5456 -0.1835 -0.1835 1.6466 1.6466 2.0688 2.0688 2.2751 2.2751 2.2802 2.2802 3.2275 3.2275 3.2725 3.2725 3.3574 3.3574 3.7756 3.7756 3.8530 3.8530 4.2729 4.2729 4.2883 4.2883 5.3413 5.3413 7.0268 7.0268 7.1251 7.1251 8.1886 8.1886 8.2409 8.2409 8.3210 8.3210 8.4502 8.4502 8.5211 8.5211 8.7596 8.7596 9.8841 9.8841 9.9389 9.9389 11.1770 11.1770 k = 0.4728 0.2730 0.2929 ( 12080 PWs) bands (ev): -13.5861 -13.5861 -13.3043 -13.3043 -10.8377 -10.8377 -10.5313 -10.5313 -10.3847 -10.3847 -10.3754 -10.3754 -2.6292 -2.6292 -2.1833 -2.1833 -1.5315 -1.5315 -0.7339 -0.7339 -0.5471 -0.5471 -0.1790 -0.1790 1.6514 1.6514 2.0655 2.0655 2.2752 2.2752 2.2802 2.2802 3.2294 3.2294 3.2760 3.2760 3.3491 3.3491 3.7786 3.7786 3.8592 3.8592 4.2720 4.2720 4.2884 4.2884 5.3187 5.3187 7.0394 7.0394 7.1451 7.1451 8.1788 8.1788 8.2280 8.2280 8.3141 8.3141 8.4572 8.4572 8.5455 8.5455 8.7572 8.7572 9.8738 9.8738 9.9293 9.9293 11.1691 11.1691 k = 0.4674 0.2698 0.3106 ( 12080 PWs) bands (ev): -13.5832 -13.5832 -13.3070 -13.3070 -10.8352 -10.8352 -10.5352 -10.5352 -10.3845 -10.3845 -10.3753 -10.3753 -2.6263 -2.6263 -2.1905 -2.1905 -1.5258 -1.5258 -0.7356 -0.7356 -0.5485 -0.5485 -0.1737 -0.1737 1.6572 1.6572 2.0616 2.0616 2.2753 2.2753 2.2802 2.2802 3.2311 3.2311 3.2807 3.2807 3.3400 3.3400 3.7807 3.7807 3.8673 3.8673 4.2710 4.2710 4.2885 4.2885 5.2924 5.2924 7.0528 7.0528 7.1704 7.1704 8.1652 8.1652 8.2136 8.2136 8.3121 8.3121 8.4644 8.4644 8.5706 8.5706 8.7543 8.7543 9.8611 9.8611 9.9179 9.9179 11.1583 11.1583 k = 0.4620 0.2667 0.3284 ( 12088 PWs) bands (ev): -13.5799 -13.5799 -13.3102 -13.3102 -10.8322 -10.8322 -10.5397 -10.5397 -10.3843 -10.3843 -10.3752 -10.3752 -2.6229 -2.6229 -2.1988 -2.1988 -1.5192 -1.5192 -0.7381 -0.7381 -0.5494 -0.5494 -0.1678 -0.1678 1.6638 1.6638 2.0570 2.0570 2.2754 2.2754 2.2802 2.2802 3.2322 3.2322 3.2866 3.2866 3.3307 3.3307 3.7819 3.7819 3.8771 3.8771 4.2698 4.2698 4.2888 4.2888 5.2628 5.2628 7.0667 7.0667 7.2005 7.2005 8.1474 8.1474 8.1992 8.1992 8.3140 8.3140 8.4717 8.4717 8.5956 8.5956 8.7511 8.7511 9.8462 9.8462 9.9048 9.9048 11.1441 11.1441 k = 0.4565 0.2636 0.3461 ( 12093 PWs) bands (ev): -13.5761 -13.5761 -13.3138 -13.3138 -10.8288 -10.8288 -10.5448 -10.5448 -10.3841 -10.3841 -10.3751 -10.3751 -2.6190 -2.6190 -2.2079 -2.2079 -1.5120 -1.5120 -0.7415 -0.7415 -0.5497 -0.5497 -0.1615 -0.1615 1.6713 1.6713 2.0517 2.0517 2.2755 2.2755 2.2802 2.2802 3.2326 3.2326 3.2935 3.2935 3.3221 3.3221 3.7818 3.7818 3.8883 3.8883 4.2687 4.2687 4.2891 4.2891 5.2307 5.2307 7.0808 7.0808 7.2350 7.2350 8.1262 8.1262 8.1854 8.1854 8.3189 8.3189 8.4791 8.4791 8.6203 8.6203 8.7479 8.7479 9.8291 9.8291 9.8901 9.8901 11.1260 11.1260 k = 0.4511 0.2604 0.3639 ( 12085 PWs) bands (ev): -13.5718 -13.5718 -13.3178 -13.3178 -10.8249 -10.8249 -10.5504 -10.5504 -10.3840 -10.3840 -10.3750 -10.3750 -2.6147 -2.6147 -2.2178 -2.2178 -1.5041 -1.5041 -0.7459 -0.7459 -0.5491 -0.5491 -0.1548 -0.1548 1.6796 1.6796 2.0458 2.0458 2.2756 2.2756 2.2802 2.2802 3.2321 3.2321 3.2988 3.2988 3.3169 3.3169 3.7807 3.7807 3.9004 3.9004 4.2678 4.2678 4.2893 4.2893 5.1967 5.1967 7.0953 7.0953 7.2733 7.2733 8.1026 8.1026 8.1718 8.1718 8.3264 8.3264 8.4864 8.4864 8.6438 8.6438 8.7452 8.7452 9.8100 9.8100 9.8740 9.8740 11.1039 11.1039 k = 0.4457 0.2573 0.3816 ( 12096 PWs) bands (ev): -13.5671 -13.5671 -13.3223 -13.3223 -10.8207 -10.8207 -10.5565 -10.5565 -10.3838 -10.3838 -10.3749 -10.3749 -2.6100 -2.6100 -2.2283 -2.2283 -1.4956 -1.4956 -0.7514 -0.7514 -0.5475 -0.5475 -0.1479 -0.1479 1.6886 1.6886 2.0392 2.0392 2.2758 2.2758 2.2802 2.2802 3.2307 3.2307 3.2965 3.2965 3.3214 3.3214 3.7784 3.7784 3.9130 3.9130 4.2674 4.2674 4.2893 4.2893 5.1613 5.1613 7.1100 7.1100 7.3147 7.3147 8.0774 8.0774 8.1583 8.1583 8.3360 8.3360 8.4934 8.4934 8.6649 8.6649 8.7442 8.7442 9.7889 9.7889 9.8568 9.8568 11.0780 11.0780 k = 0.4402 0.2542 0.3994 ( 12101 PWs) bands (ev): -13.5620 -13.5620 -13.3272 -13.3272 -10.8160 -10.8160 -10.5631 -10.5631 -10.3837 -10.3837 -10.3748 -10.3748 -2.6050 -2.6050 -2.2394 -2.2394 -1.4867 -1.4867 -0.7580 -0.7580 -0.5448 -0.5448 -0.1410 -0.1410 1.6981 1.6981 2.0321 2.0321 2.2759 2.2759 2.2802 2.2802 3.2283 3.2283 3.2898 3.2898 3.3327 3.3327 3.7752 3.7752 3.9256 3.9256 4.2677 4.2677 4.2888 4.2888 5.1252 5.1252 7.1249 7.1249 7.3586 7.3586 8.0513 8.0513 8.1445 8.1445 8.3475 8.3475 8.5001 8.5001 8.6811 8.6811 8.7471 8.7471 9.7662 9.7662 9.8384 9.8384 11.0490 11.0490 k = 0.4348 0.2510 0.4171 ( 12107 PWs) bands (ev): -13.5564 -13.5564 -13.3325 -13.3325 -10.8109 -10.8109 -10.5700 -10.5700 -10.3836 -10.3836 -10.3747 -10.3747 -2.5996 -2.5996 -2.2509 -2.2509 -1.4774 -1.4774 -0.7657 -0.7657 -0.5410 -0.5410 -0.1342 -0.1342 1.7081 1.7081 2.0244 2.0244 2.2761 2.2761 2.2802 2.2802 3.2250 3.2250 3.2829 3.2829 3.3465 3.3465 3.7711 3.7711 3.9378 3.9378 4.2688 4.2688 4.2879 4.2879 5.0890 5.0890 7.1401 7.1401 7.4046 7.4046 8.0245 8.0245 8.1305 8.1305 8.3606 8.3606 8.5062 8.5062 8.6896 8.6896 8.7570 8.7570 9.7420 9.7420 9.8192 9.8192 11.0178 11.0178 k = 0.4293 0.2479 0.4349 ( 12117 PWs) bands (ev): -13.5505 -13.5505 -13.3382 -13.3382 -10.8055 -10.8055 -10.5772 -10.5772 -10.3836 -10.3836 -10.3747 -10.3747 -2.5940 -2.5940 -2.2626 -2.2626 -1.4678 -1.4678 -0.7744 -0.7744 -0.5361 -0.5361 -0.1275 -0.1275 1.7186 1.7186 2.0163 2.0163 2.2762 2.2762 2.2802 2.2802 3.2212 3.2212 3.2762 3.2762 3.3622 3.3622 3.7660 3.7660 3.9494 3.9494 4.2709 4.2709 4.2864 4.2864 5.0533 5.0533 7.1553 7.1553 7.4522 7.4522 7.9973 7.9973 8.1162 8.1162 8.3753 8.3753 8.5118 8.5118 8.6906 8.6906 8.7733 8.7733 9.7167 9.7167 9.7992 9.7992 10.9858 10.9858 k = 0.4239 0.2447 0.4526 ( 12119 PWs) bands (ev): -13.5443 -13.5443 -13.3442 -13.3442 -10.7997 -10.7997 -10.5848 -10.5848 -10.3836 -10.3836 -10.3747 -10.3747 -2.5882 -2.5882 -2.2745 -2.2745 -1.4580 -1.4580 -0.7841 -0.7841 -0.5301 -0.5301 -0.1212 -0.1212 1.7294 1.7294 2.0076 2.0076 2.2764 2.2764 2.2802 2.2802 3.2169 3.2169 3.2699 3.2699 3.3795 3.3795 3.7600 3.7600 3.9598 3.9598 4.2733 4.2733 4.2850 4.2850 5.0185 5.0185 7.1704 7.1704 7.5009 7.5009 7.9699 7.9699 8.1016 8.1016 8.3911 8.3911 8.5166 8.5166 8.6872 8.6872 8.7929 8.7929 9.6908 9.6908 9.7786 9.7786 10.9539 10.9539 k = 0.4185 0.2416 0.4704 ( 12116 PWs) bands (ev): -13.5377 -13.5377 -13.3505 -13.3505 -10.7936 -10.7936 -10.5925 -10.5925 -10.3836 -10.3836 -10.3747 -10.3747 -2.5822 -2.5822 -2.2865 -2.2865 -1.4480 -1.4480 -0.7945 -0.7945 -0.5232 -0.5232 -0.1152 -0.1152 1.7404 1.7404 1.9985 1.9985 2.2765 2.2765 2.2802 2.2802 3.2126 3.2126 3.2638 3.2638 3.3982 3.3982 3.7531 3.7531 3.9688 3.9688 4.2732 4.2732 4.2867 4.2867 4.9853 4.9853 7.1853 7.1853 7.5505 7.5505 7.9423 7.9423 8.0868 8.0868 8.4080 8.4080 8.5207 8.5207 8.6818 8.6818 8.8136 8.8136 9.6645 9.6645 9.7577 9.7577 10.9233 10.9233 k = 0.4130 0.2385 0.4881 ( 12118 PWs) bands (ev): -13.5310 -13.5310 -13.3571 -13.3571 -10.7873 -10.7873 -10.6004 -10.6004 -10.3836 -10.3836 -10.3748 -10.3748 -2.5761 -2.5761 -2.2983 -2.2983 -1.4379 -1.4379 -0.8055 -0.8055 -0.5154 -0.5154 -0.1098 -0.1098 1.7516 1.7516 1.9891 1.9891 2.2767 2.2767 2.2802 2.2802 3.2084 3.2084 3.2578 3.2578 3.4182 3.4182 3.7454 3.7454 3.9763 3.9763 4.2688 4.2688 4.2930 4.2930 4.9542 4.9542 7.1997 7.1997 7.6006 7.6006 7.9146 7.9146 8.0718 8.0718 8.4253 8.4253 8.5239 8.5239 8.6756 8.6756 8.8343 8.8343 9.6384 9.6384 9.7365 9.7365 10.8950 10.8950 k = 0.4076 0.2353 0.5059 ( 12111 PWs) bands (ev): -13.5240 -13.5240 -13.3638 -13.3638 -10.7807 -10.7807 -10.6083 -10.6083 -10.3837 -10.3837 -10.3749 -10.3749 -2.5701 -2.5701 -2.3100 -2.3100 -1.4278 -1.4278 -0.8170 -0.8170 -0.5068 -0.5068 -0.1049 -0.1049 1.7629 1.7629 1.9794 1.9794 2.2768 2.2768 2.2803 2.2803 3.2045 3.2045 3.2516 3.2516 3.4393 3.4393 3.7367 3.7367 3.9821 3.9821 4.2616 4.2616 4.3024 4.3024 4.9256 4.9256 7.2136 7.2136 7.6508 7.6508 7.8870 7.8870 8.0566 8.0566 8.4424 8.4424 8.5263 8.5263 8.6695 8.6695 8.8543 8.8543 9.6131 9.6131 9.7154 9.7154 10.8696 10.8696 k = 0.4022 0.2322 0.5236 ( 12113 PWs) bands (ev): -13.5169 -13.5169 -13.3707 -13.3707 -10.7741 -10.7741 -10.6162 -10.6162 -10.3837 -10.3837 -10.3751 -10.3751 -2.5641 -2.5641 -2.3213 -2.3213 -1.4179 -1.4179 -0.8288 -0.8288 -0.4977 -0.4977 -0.1007 -0.1007 1.7741 1.7741 1.9695 1.9695 2.2770 2.2770 2.2803 2.2803 3.2010 3.2010 3.2452 3.2452 3.4615 3.4615 3.7271 3.7271 3.9861 3.9861 4.2524 4.2524 4.3143 4.3143 4.8999 4.8999 7.2267 7.2267 7.7009 7.7009 7.8596 7.8596 8.0412 8.0412 8.4579 8.4579 8.5281 8.5281 8.6647 8.6647 8.8731 8.8731 9.5890 9.5890 9.6945 9.6945 10.8479 10.8479 k = 0.3967 0.2291 0.5414 ( 12107 PWs) bands (ev): -13.5099 -13.5099 -13.3776 -13.3776 -10.7674 -10.7674 -10.6238 -10.6238 -10.3838 -10.3838 -10.3753 -10.3753 -2.5584 -2.5584 -2.3321 -2.3321 -1.4081 -1.4081 -0.8408 -0.8408 -0.4879 -0.4879 -0.0973 -0.0973 1.7851 1.7851 1.9596 1.9596 2.2771 2.2771 2.2803 2.2803 3.1979 3.1979 3.2385 3.2385 3.4844 3.4844 3.7170 3.7170 3.9883 3.9883 4.2411 4.2411 4.3283 4.3283 4.8774 4.8774 7.2389 7.2389 7.7500 7.7500 7.8329 7.8329 8.0258 8.0258 8.4700 8.4700 8.5294 8.5294 8.6625 8.6625 8.8905 8.8905 9.5668 9.5668 9.6742 9.6742 10.8303 10.8303 k = 0.3913 0.2259 0.5591 ( 12113 PWs) bands (ev): -13.5030 -13.5030 -13.3843 -13.3843 -10.7609 -10.7609 -10.6312 -10.6312 -10.3839 -10.3839 -10.3755 -10.3755 -2.5529 -2.5529 -2.3423 -2.3423 -1.3986 -1.3986 -0.8529 -0.8529 -0.4777 -0.4777 -0.0946 -0.0946 1.7957 1.7957 1.9500 1.9500 2.2773 2.2773 2.2803 2.2803 3.1951 3.1951 3.2317 3.2317 3.5076 3.5076 3.7064 3.7064 3.9889 3.9889 4.2280 4.2280 4.3445 4.3445 4.8582 4.8582 7.2499 7.2499 7.7904 7.7904 7.8146 7.8146 8.0105 8.0105 8.4769 8.4769 8.5299 8.5299 8.6649 8.6649 8.9063 8.9063 9.5470 9.5470 9.6548 9.6548 10.8170 10.8170 k = 0.3859 0.2228 0.5769 ( 12109 PWs) bands (ev): -13.4966 -13.4966 -13.3907 -13.3907 -10.7548 -10.7548 -10.6379 -10.6379 -10.3840 -10.3840 -10.3758 -10.3758 -2.5480 -2.5480 -2.3516 -2.3516 -1.3894 -1.3894 -0.8649 -0.8649 -0.4671 -0.4671 -0.0928 -0.0928 1.8054 1.8054 1.9409 1.9409 2.2774 2.2774 2.2803 2.2803 3.1925 3.1925 3.2248 3.2248 3.5301 3.5301 3.6964 3.6964 3.9879 3.9879 4.2133 4.2133 4.3625 4.3625 4.8425 4.8425 7.2596 7.2596 7.7749 7.7749 7.8510 7.8510 7.9958 7.9958 8.4776 8.4776 8.5284 8.5284 8.6737 8.6737 8.9202 8.9202 9.5302 9.5302 9.6365 9.6365 10.8084 10.8084 k = 0.3804 0.2196 0.5946 ( 12114 PWs) bands (ev): -13.4909 -13.4909 -13.3962 -13.3962 -10.7493 -10.7493 -10.6437 -10.6437 -10.3841 -10.3841 -10.3762 -10.3762 -2.5438 -2.5438 -2.3599 -2.3599 -1.3807 -1.3807 -0.8767 -0.8767 -0.4562 -0.4562 -0.0918 -0.0918 1.8138 1.8138 1.9329 1.9329 2.2775 2.2775 2.2804 2.2804 3.1898 3.1898 3.2181 3.2181 3.5502 3.5502 3.6884 3.6884 3.9854 3.9854 4.1974 4.1974 4.3824 4.3824 4.8301 4.8301 7.2678 7.2678 7.7493 7.7493 7.8949 7.8949 7.9832 7.9832 8.4727 8.4727 8.5235 8.5235 8.6893 8.6893 8.9322 8.9322 9.5168 9.5168 9.6196 9.6196 10.8044 10.8044 k = 0.3750 0.2165 0.6124 ( 12114 PWs) bands (ev): -13.4865 -13.4865 -13.4006 -13.4006 -10.7448 -10.7448 -10.6482 -10.6482 -10.3842 -10.3842 -10.3765 -10.3765 -2.5404 -2.5404 -2.3669 -2.3669 -1.3726 -1.3726 -0.8882 -0.8882 -0.4451 -0.4451 -0.0918 -0.0918 1.8200 1.8200 1.9269 1.9269 2.2776 2.2776 2.2804 2.2804 3.1864 3.1864 3.2121 3.2121 3.5645 3.5645 3.6856 3.6856 3.9817 3.9817 4.1805 4.1805 4.4038 4.4038 4.8210 4.8210 7.2743 7.2743 7.7236 7.7236 7.9273 7.9273 7.9814 7.9814 8.4631 8.4631 8.5148 8.5148 8.7106 8.7106 8.9427 8.9427 9.5070 9.5070 9.6045 9.6045 10.8048 10.8048 k = 0.6250-0.0722 0.4082 ( 12114 PWs) bands (ev): -13.4865 -13.4865 -13.4006 -13.4006 -10.7449 -10.7449 -10.6482 -10.6482 -10.3842 -10.3842 -10.3765 -10.3765 -2.5404 -2.5404 -2.3669 -2.3669 -1.3726 -1.3726 -0.8882 -0.8882 -0.4451 -0.4451 -0.0918 -0.0918 1.8200 1.8200 1.9269 1.9269 2.2776 2.2776 2.2804 2.2804 3.1864 3.1864 3.2121 3.2121 3.5645 3.5645 3.6856 3.6856 3.9817 3.9817 4.1806 4.1806 4.4038 4.4038 4.8210 4.8210 7.2743 7.2743 7.7236 7.7236 7.9273 7.9273 7.9814 7.9814 8.4631 8.4631 8.5148 8.5148 8.7106 8.7106 8.9427 8.9427 9.5070 9.5070 9.6045 9.6045 10.8048 10.8048 k = 0.6161-0.0876 0.4082 ( 12102 PWs) bands (ev): -13.4807 -13.4807 -13.4063 -13.4063 -10.7388 -10.7388 -10.6541 -10.6541 -10.3844 -10.3844 -10.3771 -10.3771 -2.5358 -2.5358 -2.3771 -2.3771 -1.3594 -1.3594 -0.9071 -0.9071 -0.4264 -0.4264 -0.0929 -0.0929 1.8275 1.8275 1.9195 1.9195 2.2778 2.2778 2.2804 2.2804 3.1797 3.1797 3.2030 3.2030 3.5806 3.5806 3.6877 3.6877 3.9752 3.9752 4.1530 4.1530 4.4399 4.4399 4.8087 4.8087 7.2835 7.2835 7.6819 7.6819 7.9571 7.9571 8.0006 8.0006 8.4434 8.4434 8.4972 8.4972 8.7493 8.7493 8.9592 8.9592 9.4942 9.4942 9.5816 9.5816 10.8114 10.8114 k = 0.6071-0.1031 0.4082 ( 12102 PWs) bands (ev): -13.4754 -13.4754 -13.4116 -13.4116 -10.7329 -10.7329 -10.6596 -10.6596 -10.3846 -10.3846 -10.3778 -10.3778 -2.5313 -2.5313 -2.3872 -2.3872 -1.3455 -1.3455 -0.9263 -0.9263 -0.4073 -0.4073 -0.0950 -0.0950 1.8344 1.8344 1.9126 1.9126 2.2781 2.2781 2.2805 2.2805 3.1726 3.1726 3.1938 3.1938 3.5959 3.5959 3.6898 3.6898 3.9697 3.9697 4.1268 4.1268 4.4753 4.4753 4.7972 4.7972 7.2925 7.2925 7.6409 7.6409 7.9852 7.9852 8.0202 8.0202 8.4235 8.4235 8.4791 8.4791 8.7877 8.7877 8.9760 8.9760 9.4815 9.4815 9.5596 9.5596 10.8226 10.8226 k = 0.5982-0.1186 0.4082 ( 12094 PWs) bands (ev): -13.4704 -13.4704 -13.4166 -13.4166 -10.7272 -10.7272 -10.6648 -10.6648 -10.3847 -10.3847 -10.3785 -10.3785 -2.5268 -2.5268 -2.3970 -2.3970 -1.3312 -1.3312 -0.9455 -0.9455 -0.3879 -0.3879 -0.0980 -0.0980 1.8407 1.8407 1.9063 1.9063 2.2783 2.2783 2.2805 2.2805 3.1652 3.1652 3.1845 3.1845 3.6106 3.6106 3.6920 3.6920 3.9650 3.9650 4.1018 4.1018 4.5097 4.5097 4.7863 4.7863 7.3011 7.3011 7.6011 7.6011 8.0112 8.0112 8.0403 8.0403 8.4038 8.4038 8.4609 8.4609 8.8254 8.8254 8.9926 8.9926 9.4688 9.4688 9.5386 9.5386 10.8381 10.8381 k = 0.5893-0.1340 0.4082 ( 12104 PWs) bands (ev): -13.4658 -13.4658 -13.4212 -13.4212 -10.7218 -10.7218 -10.6695 -10.6695 -10.3848 -10.3848 -10.3793 -10.3793 -2.5225 -2.5225 -2.4065 -2.4065 -1.3163 -1.3163 -0.9647 -0.9647 -0.3686 -0.3686 -0.1021 -0.1021 1.8464 1.8464 1.9006 1.9006 2.2785 2.2785 2.2805 2.2805 3.1579 3.1579 3.1755 3.1755 3.6246 3.6246 3.6942 3.6942 3.9609 3.9609 4.0783 4.0783 4.5427 4.5427 4.7762 4.7762 7.3092 7.3092 7.5630 7.5630 8.0349 8.0349 8.0612 8.0612 8.3847 8.3847 8.4427 8.4427 8.8618 8.8618 9.0086 9.0086 9.4562 9.4562 9.5186 9.5186 10.8576 10.8576 k = 0.5804-0.1495 0.4082 ( 12104 PWs) bands (ev): -13.4617 -13.4617 -13.4253 -13.4253 -10.7168 -10.7168 -10.6739 -10.6739 -10.3850 -10.3850 -10.3801 -10.3801 -2.5183 -2.5183 -2.4157 -2.4157 -1.3010 -1.3010 -0.9839 -0.9839 -0.3494 -0.3494 -0.1070 -0.1070 1.8516 1.8516 1.8954 1.8954 2.2787 2.2787 2.2806 2.2806 3.1508 3.1508 3.1666 3.1666 3.6379 3.6379 3.6964 3.6964 3.9575 3.9575 4.0562 4.0562 4.5739 4.5739 4.7668 4.7668 7.3170 7.3170 7.5269 7.5269 8.0563 8.0563 8.0824 8.0824 8.3666 8.3666 8.4247 8.4247 8.8968 8.8968 9.0235 9.0235 9.4439 9.4439 9.4998 9.4998 10.8805 10.8805 k = 0.5714-0.1650 0.4082 ( 12106 PWs) bands (ev): -13.4579 -13.4579 -13.4291 -13.4291 -10.7121 -10.7121 -10.6778 -10.6778 -10.3851 -10.3851 -10.3808 -10.3808 -2.5141 -2.5141 -2.4245 -2.4245 -1.2852 -1.2852 -1.0030 -1.0030 -0.3303 -0.3303 -0.1130 -0.1130 1.8561 1.8561 1.8908 1.8908 2.2790 2.2790 2.2806 2.2806 3.1440 3.1440 3.1582 3.1582 3.6505 3.6505 3.6985 3.6985 3.9546 3.9546 4.0356 4.0356 4.6031 4.6031 4.7583 4.7583 7.3241 7.3241 7.4933 7.4933 8.0760 8.0760 8.1032 8.1032 8.3499 8.3499 8.4068 8.4068 8.9300 8.9300 9.0372 9.0372 9.4319 9.4319 9.4822 9.4822 10.9064 10.9064 k = 0.5625-0.1804 0.4082 ( 12114 PWs) bands (ev): -13.4546 -13.4546 -13.4325 -13.4325 -10.7078 -10.7078 -10.6813 -10.6813 -10.3852 -10.3852 -10.3816 -10.3816 -2.5100 -2.5100 -2.4328 -2.4328 -1.2692 -1.2692 -1.0219 -1.0219 -0.3116 -0.3116 -0.1200 -0.1200 1.8602 1.8602 1.8867 1.8867 2.2792 2.2792 2.2806 2.2806 3.1378 3.1378 3.1504 3.1504 3.6622 3.6622 3.7004 3.7004 3.9520 3.9520 4.0167 4.0167 4.6299 4.6299 4.7507 4.7507 7.3307 7.3307 7.4625 7.4625 8.0945 8.0945 8.1228 8.1228 8.3346 8.3346 8.3892 8.3892 8.9609 8.9609 9.0496 9.0496 9.4206 9.4206 9.4659 9.4659 10.9346 10.9346 k = 0.5536-0.1959 0.4082 ( 12134 PWs) bands (ev): -13.4517 -13.4517 -13.4354 -13.4354 -10.7040 -10.7040 -10.6843 -10.6843 -10.3853 -10.3853 -10.3823 -10.3823 -2.5059 -2.5059 -2.4408 -2.4408 -1.2528 -1.2528 -1.0406 -1.0406 -0.2933 -0.2933 -0.1279 -0.1279 1.8636 1.8636 1.8832 1.8832 2.2794 2.2794 2.2806 2.2806 3.1323 3.1323 3.1432 3.1432 3.6729 3.6729 3.7022 3.7022 3.9499 3.9499 3.9996 3.9996 4.6539 4.6539 4.7440 4.7440 7.3365 7.3365 7.4350 7.4350 8.1120 8.1120 8.1406 8.1406 8.3212 8.3212 8.3721 8.3721 8.9892 8.9892 9.0604 9.0604 9.4103 9.4103 9.4508 9.4508 10.9641 10.9641 k = 0.5446-0.2114 0.4082 ( 12142 PWs) bands (ev): -13.4492 -13.4492 -13.4379 -13.4379 -10.7007 -10.7007 -10.6869 -10.6869 -10.3853 -10.3853 -10.3830 -10.3830 -2.5017 -2.5017 -2.4483 -2.4483 -1.2361 -1.2361 -1.0592 -1.0592 -0.2754 -0.2754 -0.1369 -0.1369 1.8665 1.8665 1.8803 1.8803 2.2796 2.2796 2.2806 2.2806 3.1276 3.1276 3.1367 3.1367 3.6826 3.6826 3.7038 3.7038 3.9481 3.9481 3.9845 3.9845 4.6749 4.6749 4.7382 4.7382 7.3416 7.3416 7.4110 7.4110 8.1286 8.1286 8.1562 8.1562 8.3098 8.3098 8.3554 8.3554 9.0146 9.0146 9.0695 9.0695 9.4014 9.4014 9.4369 9.4369 10.9940 10.9940 k = 0.5357-0.2268 0.4082 ( 12136 PWs) bands (ev): -13.4472 -13.4472 -13.4399 -13.4399 -10.6980 -10.6980 -10.6890 -10.6890 -10.3854 -10.3854 -10.3836 -10.3836 -2.4975 -2.4975 -2.4553 -2.4553 -1.2192 -1.2192 -1.0776 -1.0776 -0.2581 -0.2581 -0.1468 -0.1468 1.8689 1.8689 1.8779 1.8779 2.2798 2.2798 2.2806 2.2806 3.1237 3.1237 3.1311 3.1311 3.6911 3.6911 3.7051 3.7051 3.9467 3.9467 3.9716 3.9716 4.6925 4.6925 4.7335 4.7335 7.3458 7.3458 7.3909 7.3909 8.1441 8.1441 8.1691 8.1691 8.3007 8.3007 8.3396 8.3396 9.0365 9.0365 9.0769 9.0769 9.3944 9.3944 9.4243 9.4243 11.0227 11.0227 k = 0.5268-0.2423 0.4082 ( 12132 PWs) bands (ev): -13.4456 -13.4456 -13.4415 -13.4415 -10.6958 -10.6958 -10.6907 -10.6907 -10.3854 -10.3854 -10.3841 -10.3841 -2.4932 -2.4932 -2.4618 -2.4618 -1.2021 -1.2021 -1.0959 -1.0959 -0.2415 -0.2415 -0.1577 -0.1577 1.8708 1.8708 1.8760 1.8760 2.2800 2.2800 2.2806 2.2806 3.1209 3.1209 3.1264 3.1264 3.6980 3.6980 3.7062 3.7062 3.9456 3.9456 3.9611 3.9611 4.7065 4.7065 4.7297 4.7297 7.3492 7.3492 7.3750 7.3750 8.1583 8.1583 8.1790 8.1790 8.2941 8.2941 8.3250 8.3250 9.0547 9.0547 9.0824 9.0824 9.3895 9.3895 9.4130 9.4130 11.0486 11.0486 k = 0.5179-0.2577 0.4082 ( 12146 PWs) bands (ev): -13.4445 -13.4445 -13.4427 -13.4427 -10.6942 -10.6942 -10.6919 -10.6919 -10.3853 -10.3853 -10.3845 -10.3845 -2.4887 -2.4887 -2.4679 -2.4679 -1.1848 -1.1848 -1.1140 -1.1140 -0.2255 -0.2255 -0.1695 -0.1695 1.8721 1.8721 1.8747 1.8747 2.2801 2.2801 2.2805 2.2805 3.1191 3.1191 3.1228 3.1228 3.7032 3.7032 3.7070 3.7070 3.9450 3.9450 3.9532 3.9532 4.7167 4.7167 4.7270 4.7270 7.3517 7.3517 7.3635 7.3635 8.1705 8.1705 8.1853 8.1853 8.2905 8.2905 8.3120 8.3120 9.0688 9.0688 9.0857 9.0857 9.3871 9.3871 9.4034 9.4034 11.0696 11.0696 k = 0.5089-0.2732 0.4082 ( 12150 PWs) bands (ev): -13.4438 -13.4438 -13.4434 -13.4434 -10.6933 -10.6933 -10.6926 -10.6926 -10.3852 -10.3852 -10.3848 -10.3848 -2.4839 -2.4839 -2.4736 -2.4736 -1.1673 -1.1673 -1.1319 -1.1319 -0.2102 -0.2102 -0.1822 -0.1822 1.8729 1.8729 1.8738 1.8738 2.2803 2.2803 2.2805 2.2805 3.1183 3.1183 3.1202 3.1202 3.7065 3.7065 3.7074 3.7074 3.9448 3.9448 3.9481 3.9481 4.7229 4.7229 4.7254 4.7254 7.3532 7.3532 7.3565 7.3565 8.1800 8.1800 8.1878 8.1878 8.2904 8.2904 8.3014 8.3014 9.0786 9.0786 9.0865 9.0865 9.3874 9.3874 9.3958 9.3958 11.0860 11.0897 k = 0.5000-0.2887 0.4082 ( 12150 PWs) bands (ev): -13.4436 -13.4436 -13.4436 -13.4436 -10.6929 -10.6929 -10.6929 -10.6929 -10.3851 -10.3851 -10.3851 -10.3851 -2.4789 -2.4789 -2.4789 -2.4789 -1.1497 -1.1497 -1.1497 -1.1497 -0.1958 -0.1958 -0.1958 -0.1958 1.8734 1.8734 1.8734 1.8734 2.2804 2.2804 2.2804 2.2804 3.1187 3.1187 3.1187 3.1187 3.7076 3.7076 3.7076 3.7076 3.9456 3.9456 3.9456 3.9456 4.7249 4.7249 4.7249 4.7249 7.3539 7.3539 7.3539 7.3539 8.1860 8.1860 8.1860 8.1860 8.2941 8.2941 8.2941 8.2941 9.0843 9.0843 9.0844 9.0844 9.3903 9.3903 9.3903 9.3903 11.0881 11.0881 Writing output data file CsFeO2.save init_run : 0.54s CPU 0.77s WALL ( 1 calls) electrons : 603.89s CPU 609.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 603.88s CPU 609.85s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.21s CPU 0.25s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.26s WALL ( 255 calls) cegterg : 567.59s CPU 572.23s WALL ( 789 calls) Called by sum_band: Called by *egterg: h_psi : 340.91s CPU 344.26s WALL ( 14858 calls) s_psi : 20.06s CPU 20.13s WALL ( 14858 calls) g_psi : 1.14s CPU 1.09s WALL ( 13814 calls) cdiaghg : 141.30s CPU 143.36s WALL ( 14069 calls) cegterg:over : 31.62s CPU 31.09s WALL ( 13814 calls) cegterg:upda : 33.74s CPU 33.58s WALL ( 13814 calls) cegterg:last : 13.01s CPU 13.11s WALL ( 1554 calls) cdiaghg:chol : 8.56s CPU 8.30s WALL ( 14069 calls) cdiaghg:inve : 5.52s CPU 5.73s WALL ( 14069 calls) cdiaghg:para : 9.43s CPU 9.48s WALL ( 28138 calls) Called by h_psi: h_psi:vloc : 278.86s CPU 281.94s WALL ( 14858 calls) h_psi:vnl : 60.91s CPU 61.03s WALL ( 14858 calls) add_vuspsi : 34.27s CPU 34.56s WALL ( 14858 calls) General routines calbec : 26.57s CPU 26.42s WALL ( 14858 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 263.35s CPU 266.23s WALL ( 1286252 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.30s CPU 0.67s WALL ( 510 calls) Parallel routines fft_scatter : 83.14s CPU 83.62s WALL ( 1286275 calls) PWSCF : 10m37.38s CPU 10m60.00s WALL This run was terminated on: 17:51:19 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=